HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-SEP-04 1XE8 COMPND HYPOTHETICAL 22.5 KDA PROTEIN IN TUB1-CPR3 INTERGEN COMPND 3 REGION; COMPND 4 CHAIN: A, B, C; COMPND 5 SYNONYM: YML079WP; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 GENE: YML079W; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PCRT7-CT-TOPO AUTHOR C.-Z.ZHOU,P.MEYER,S.QUEVILLON-CHERUEL,I.LI DE LA SIERRA-GALLAY, AUTHOR 2 B.COLLINET,M.GRAILLE,N.LEULLIOT,I.SOREL,J.JANIN,H.VAN TILBEURGH HET MSE A 23 8 HET MSE A 58 8 HET MSE A 73 8 HET MSE B 23 8 HET MSE B 58 8 HET MSE B 73 8 HET MSE C 23 8 HET MSE C 58 8 HET MSE C 73 8 HET ADE A 500 10 HET CIT A1102 13 HET GOL C1901 6 SITE 1 AC1 7 HIS A 42 GLU A 50 ILE A 82 PHE A 171 SITE 1 AC2 10 TYR A 56 GLN A 78 HOH A1141 VAL B 60 SITE 1 AC3 5 PHE C 48 GLU C 50 PHE C 171 HOH C1911 mALA.A 9 179.28 153.64 35.18 178.75 153.97 34.40 180.14 151.61 36.31 179.66 151.00 35.35 180.07 153.14 36.34 179.43 153.62 37.66 2 0 23.92-999 ?-999 ?-999 ? C8 ADE A 500 mASN.A 10 180.75 151.03 37.35 181.08 151.70 38.01 182.37 149.12 37.50 182.74 148.18 38.20 180.92 149.58 37.53 180.16 148.75 36.49 2 0 24.77-999 ?-999 ?-999 ? C8 ADE A 500 mALA.A 11 183.20 149.77 36.70 182.82 150.56 36.21 185.64 150.07 37.35 186.65 149.49 37.70 184.58 149.32 36.59 184.98 149.21 35.13 2 0 23.41-999 ?-999 ?-999 ? C8 ADE A 500 mALA.A 12 185.43 151.35 37.59 184.55 151.71 37.27 187.63 152.37 37.33 188.41 151.47 37.00 186.45 152.13 38.28 186.94 151.40 39.53 2 0 25.12-999 ?-999 ?-999 ? C8 ADE A 500 mILE.A 13 187.73 153.61 36.88 187.03 154.23 37.24 190.05 154.34 36.66 190.18 155.35 37.34 188.75 154.03 35.95 188.26 155.27 35.21 3 0 23.11-999 ?-999 ?-999 ? N9 ADE A 500 mGLU.A 14 191.02 153.45 36.51 190.78 152.67 35.94 193.42 153.27 36.16 194.01 152.19 36.22 192.31 153.63 37.15 192.39 152.76 38.39 2 0 24.87-999 ?-999 ?-999 ? N9 ADE A 500 mPRO.A 15 193.70 154.19 35.23 193.12 154.99 35.33 196.06 153.63 34.67 196.62 154.23 35.58 194.71 154.10 34.17 194.78 155.53 33.66 3 0 22.82-999 ?-999 ?-999 ? N9 ADE A 500 mALA~A 16 196.59 152.56 34.09 196.04 152.15 33.37 198.90 153.17 34.19 198.52 154.21 33.68 197.90 152.07 34.51 198.25 150.79 33.76 2 0 24.36-999 ?-999 ?-999 ? N9 ADE A 500 mSER~A 17 200.18 152.95 34.49 200.38 152.07 34.92 201.28 154.21 32.69 201.19 155.35 32.24 201.16 153.98 34.19 202.54 153.63 34.79 2 0 25.91-999 ?-999 ?-999 ? N9 ADE A 500 mPHE~A 18 201.45 153.15 31.90 201.49 152.26 32.35 200.32 153.94 29.79 200.38 154.42 28.66 201.56 153.37 30.45 201.99 152.10 29.70 3 0 23.18-999 ?-999 ?-999 ? N9 ADE A 500 mVAL~A 19 199.18 153.89 30.47 199.23 153.46 31.38 198.05 155.95 30.02 197.79 156.67 29.07 197.98 154.44 29.89 196.71 153.90 30.57 3 0 20.65-999 ?-999 ?-999 ? N9 ADE A 500 mLYS~A 20 198.41 156.43 31.20 198.60 155.74 31.90 199.67 158.46 30.62 199.53 159.47 29.93 198.50 157.87 31.43 198.73 158.14 32.91 2 0 22.89-999 ?-999 ?-999 ? N9 ADE A 500 mVAL~A 21 200.84 157.83 30.71 200.83 157.04 31.34 202.40 157.08 29.09 203.12 156.19 29.52 202.01 158.26 29.97 203.21 158.57 30.89 3 0 23.98-999 ?-999 ?-999 ? N9 ADE A 500 mPRO.A 22 201.90 157.04 27.85 201.31 157.80 27.59 203.75 155.73 26.81 204.52 156.67 26.97 202.26 155.92 26.99 201.52 156.23 25.67 3 0 21.58-999 ?-999 ?-999 ? N9 ADE A 500 mMETA 23 204.13 154.49 26.49 203.38 153.84 26.41 205.93 154.41 24.85 205.09 154.42 23.96 205.53 154.14 26.29 205.74 152.66 26.63 2 0 23.46-999 ?-999 ?-999 ? N9 ADE A 500 mPRO.A 24 207.23 154.63 24.62 207.81 154.58 25.42 207.66 153.72 22.36 207.62 153.86 21.14 207.72 154.91 23.27 209.16 155.35 23.53 3 0 23.70-999 ?-999 ?-999 ? N3 ADE A 500 mGLU.A 25 207.62 152.54 22.94 207.59 152.54 23.94 206.87 150.23 22.79 206.84 150.13 24.02 207.62 151.36 22.12 209.06 150.95 21.87 2 0 22.96-999 ?-999 ?-999 ? N3 ADE A 500 mPRO.A 26 206.23 149.36 21.99 206.30 149.55 21.01 206.46 147.07 22.64 207.51 147.10 22.00 205.49 148.23 22.56 204.41 147.98 21.52 3 0 21.67-999 ?-999 ?-999 ? N9 ADE A 500 mPRO~A 27 206.15 146.04 23.45 205.29 146.12 23.96 207.24 144.37 22.10 206.37 144.55 21.26 207.08 144.91 23.51 206.38 143.94 24.48 3 0 24.20-999 ?-999 ?-999 ? N9 ADE A 500 mSER~A 28 208.35 143.70 21.82 208.99 143.58 22.59 207.57 142.20 19.95 207.38 142.11 18.74 208.59 143.21 20.48 210.00 142.65 20.36 2 0 24.93-999 ?-999 ?-999 ? N3 ADE A 500 mSER~A 29 206.93 141.45 20.82 207.16 141.59 21.78 204.79 141.24 19.65 204.36 140.89 18.55 205.95 140.49 20.33 205.43 139.61 21.48 2 0 23.71-999 ?-999 ?-999 ? C8 ADE A 500 mLEU~A 30 204.31 142.29 20.30 204.74 142.48 21.18 203.71 143.77 18.44 202.93 144.01 17.52 203.23 143.08 19.73 202.74 144.10 20.76 3 0 20.10-999 ?-999 ?-999 ? N9 ADE A 500 mGLN~A 31 205.00 144.09 18.38 205.53 143.86 19.20 205.46 143.71 16.03 204.98 144.05 14.95 205.56 144.71 17.18 207.02 145.09 17.40 2 0 20.65-999 ?-999 ?-999 ? N3 ADE A 500 mGLN~A 32 205.94 142.49 16.27 206.32 142.38 17.19 204.50 141.35 14.69 204.30 141.52 13.48 205.90 141.42 15.28 206.21 140.07 15.94 2 0 21.81-999 ?-999 ?-999 ? N1 ADE A 500 mLEU~A 33 203.54 141.08 15.56 203.86 140.97 16.50 201.70 142.20 14.40 200.98 142.09 13.40 202.15 140.97 15.18 201.31 140.77 16.43 3 0 18.84-999 ?-999 ?-999 ? C6 ADE A 500 mILE~A 34 202.11 143.38 14.85 202.69 143.35 15.67 202.27 144.61 12.75 201.55 144.91 11.80 201.72 144.60 14.17 202.22 145.84 14.90 3 0 16.54-999 ?-999 ?-999 ? C2 ADE A 500 mASN~A 35 203.54 144.26 12.59 204.02 144.01 13.43 203.72 143.08 10.40 203.44 143.26 9.22 204.14 144.26 11.27 205.66 144.31 11.38 2 0 18.26-999 ?-999 ?-999 ? N1 ADE A 500 mASP~A 36 203.66 141.89 10.96 203.90 141.86 11.93 201.86 140.90 9.63 201.60 140.59 8.48 203.27 140.74 10.18 203.35 139.46 11.01 2 0 18.99-999 ?-999 ?-999 ? N6 ADE A 500 mTRP~A 37 200.95 141.39 10.46 201.29 141.61 11.38 199.35 142.90 9.33 198.29 143.15 8.77 199.56 141.58 10.04 198.62 141.51 11.24 3 0 15.32-999 ?-999 ?-999 ? N6 ADE A 500 mGLN~A 38 200.36 143.75 9.36 201.16 143.42 9.86 199.15 145.91 9.25 198.37 146.48 8.48 200.29 145.06 8.72 200.16 144.91 7.20 2 0 14.31-999 ?-999 ?-999 ? N1 ADE A 500 mLEU.A 39 199.04 145.99 10.57 199.72 145.45 11.07 198.58 148.21 11.11 199.79 148.38 10.99 198.02 146.80 11.21 197.86 146.42 12.68 3 0 11.69-999 ?-999 ?-999 ? N1 ADE A 500 mILE^A 40 197.71 149.21 11.17 196.76 148.93 11.29 197.51 151.43 12.14 196.48 151.05 12.70 198.15 150.59 11.06 197.81 151.14 9.65 3 0 10.63-999 ?-999 ?-999 ? C2 ADE A 500 mLYS^A 41 198.12 152.56 12.46 198.95 152.77 11.95 196.23 153.98 13.09 196.09 154.54 12.01 197.56 153.42 13.51 198.51 154.56 13.85 2 0 10.39-999 ?-999 ?-999 ? N3 ADE A 500 mHIS.A 42 195.24 153.80 13.96 195.52 153.31 14.79 193.84 155.73 14.12 194.72 156.22 14.81 193.90 154.28 13.72 192.89 153.49 14.55 3 0 -7.10-999 ?-999 ?-999 ? N3 ADE A 500s mARG.A 43 192.79 156.41 13.70 192.14 155.90 13.14 192.46 157.94 15.54 193.05 158.83 16.15 192.64 157.81 14.04 191.44 158.40 13.30 2 0 7.85-999 ?-999 ?-999 ? N3 ADE A 500 mGLU.A 44 191.66 157.05 16.13 191.26 156.39 15.50 192.61 156.73 18.43 192.75 157.23 19.55 191.40 157.06 17.58 190.31 156.04 17.93 2 0 8.68-999 ?-999 ?-999 ? N9 ADE A 500 mGLY.A 45 193.48 155.88 17.91 193.26 155.55 16.99 194.61 153.96 18.53 193.60 153.42 18.08 194.65 155.46 18.65-999.99-999.99-999.99 1 0 10.73-999 ?-999 ?-999 ? N9 ADE A 500 mGLY.A 46 195.67 153.28 18.93 196.43 153.82 19.30 195.90 151.44 17.38 196.01 152.30 16.51 195.68 151.83 18.82-999.99-999.99-999.99 1 0 10.99-999 ?-999 ?-999 ? N9 ADE A 500 mTYR^A 47 195.97 150.14 17.12 195.86 149.55 17.91 194.98 148.91 15.25 194.24 148.31 16.04 196.19 149.66 15.76 197.41 148.75 15.73 3 0 10.30-999 ?-999 ?-999 ? N3 ADE A 500 mPHE^A 48 194.77 148.93 13.94 195.45 149.44 13.41 193.89 147.78 11.96 194.93 148.09 11.39 193.62 148.26 13.37 192.41 149.20 13.36 3 0 7.83-999 ?-999 ?-999 ? C4 ADE A 500 mLYS^A 49 192.94 147.03 11.42 192.15 146.85 12.01 191.76 145.88 9.60 191.40 144.79 10.04 193.06 146.52 10.07 194.18 145.50 9.98 2 0 7.33-999 ?-999 ?-999 ? N6 ADE A 500 mGLU^A 50 191.07 146.57 8.69 191.48 147.44 8.43 190.14 144.79 7.36 190.85 144.84 6.35 189.83 146.06 8.15 189.19 147.10 7.24 2 0 -4.84-999 ?-999 ?-999 ? N6 ADE A 500s mTHR^A 51 189.62 143.67 7.82 189.04 143.78 8.63 188.73 141.87 6.34 188.85 140.88 5.62 189.89 142.39 7.18 190.22 141.37 8.23 2 0 7.94-999 ?-999 ?-999 ? N6 ADE A 500 mASP^A 52 187.58 142.53 6.44 187.57 143.30 7.07 185.47 143.23 5.41 185.28 144.09 6.26 186.45 142.09 5.64 185.72 140.93 6.30 2 0 7.92-999 ?-999 ?-999 ? N6 ADE A 500 mARG^A 53 184.86 143.21 4.22 185.15 142.45 3.64 182.91 143.48 2.90 183.28 143.10 1.79 183.88 144.20 3.82 184.54 145.35 3.08 2 0 7.70-999 ?-999 ?-999 ? N6 ADE A 500 mSER.A 54 181.68 143.29 3.37 181.52 143.67 4.28 180.61 143.04 1.15 180.70 144.23 0.86 180.68 142.57 2.59 179.31 142.71 3.23 2 0 6.96-999 ?-999 ?-999 ? O3 CIT A1102 mPRO.A 55 180.48 142.09 0.22 180.45 141.16 0.60 178.96 142.82 -1.48 178.63 143.28 -2.57 180.39 142.38 -1.21 180.68 141.03 -1.86 3 0 7.32-999 ?-999 ?-999 ? O3 CIT A1102 mTYR.A 56 178.11 142.66 -0.47 178.52 142.27 0.35 176.48 144.41 -0.01 177.01 144.77 1.05 176.71 143.02 -0.56 175.87 142.04 0.23 3 0 -4.96-999 ?-999 ?-999 ? O3 CIT A1102s mTHR^A 57 175.70 145.18 -0.75 175.36 144.74 -1.58 173.93 146.57 0.12 173.18 145.62 -0.11 175.37 146.55 -0.38 175.49 147.50 -1.60 2 0 7.61-999 ?-999 ?-999 ? O3 CIT A1102 mMETA 58 173.58 147.64 0.82 174.31 148.31 0.94 172.02 149.31 1.43 172.93 150.06 1.79 172.24 147.82 1.36 172.13 147.19 2.75 2 0 8.50-999 ?-999 ?-999 ? O5 CIT A1102 mGLU^A 59 170.82 149.74 1.05 170.20 149.02 0.74 170.02 151.41 2.50 169.37 150.56 3.10 170.48 151.15 1.08 169.35 151.42 0.09 2 0 11.90-999 ?-999 ?-999 ? O5 CIT A1102 mVAL^A 60 170.37 152.57 3.03 170.86 153.17 2.40 169.66 154.41 4.55 170.27 155.28 3.95 170.06 152.94 4.41 171.30 152.69 5.28 3 0 13.85-999 ?-999 ?-999 ? O5 CIT A1102 mGLU^A 61 168.62 154.68 5.35 168.19 153.88 5.77 169.15 156.73 6.53 169.46 156.18 7.58 168.19 156.06 5.56 166.77 156.14 6.13 2 0 17.38-999 ?-999 ?-999 ? O5 CIT A1102 mLYS^A 62 169.61 157.92 6.16 169.26 158.24 5.28 170.11 160.13 7.03 169.87 160.74 5.98 170.54 158.67 6.99 171.95 158.56 6.42 2 0 18.28-999 ?-999 ?-999 ? C5 ADE A 500 mPRO.A 63 170.00 160.71 8.23 170.21 160.11 9.00 170.70 163.03 7.84 171.88 162.76 8.04 169.59 162.11 8.36 169.37 162.26 9.86 3 0 20.28-999 ?-999 ?-999 ? N9 ADE A 500 mVAL.A 64 170.32 164.12 7.16 169.33 164.23 7.05 171.57 166.25 7.55 170.79 167.20 7.57 171.32 165.04 6.63 170.93 165.57 5.24 3 0 20.86-999 ?-999 ?-999 ? N3 ADE A 500 mASN.A 70 165.07 166.22 7.47 165.20 166.78 8.29 166.08 164.46 6.09 167.24 164.88 6.13 164.88 165.41 6.28 164.71 166.31 5.05 2 0 26.35-999 ?-999 ?-999 ? N9 ADE A 500 mTHR.A 71 165.79 163.17 5.89 164.81 162.96 5.89 167.18 161.97 4.25 166.60 162.59 3.36 166.84 162.17 5.71 166.45 160.80 6.30 2 0 23.32-999 ?-999 ?-999 ? C4 ADE A 500 mGLU^A 72 168.12 161.06 4.01 168.48 160.62 4.84 169.08 159.32 2.58 169.55 158.75 3.56 168.59 160.76 2.68 169.73 161.71 2.33 2 0 21.62-999 ?-999 ?-999 ? O5 CIT A1102 mMETA 73 168.96 158.73 1.40 168.54 159.29 0.68 170.87 157.33 0.85 171.35 158.10 0.02 169.40 157.36 1.20 168.61 156.67 0.10 2 0 18.17-999 ?-999 ?-999 ? O5 CIT A1102 mVAL^A 74 171.59 156.44 1.51 171.08 155.91 2.18 173.20 154.76 1.17 172.44 154.00 1.76 173.01 156.27 1.25 173.85 156.85 2.39 3 0 16.97-999 ?-999 ?-999 ? O5 CIT A1102 mTHR^A 75 174.20 154.32 0.43 174.77 155.00 -0.03 175.70 152.52 1.00 176.71 153.20 0.82 174.38 152.90 0.35 174.27 152.41 -1.12 2 0 13.63-999 ?-999 ?-999 ? O3 CIT A1102 mARG^A 76 175.66 151.47 1.82 174.75 151.05 1.89 176.99 149.50 2.21 176.12 148.88 1.61 176.83 150.97 2.53 176.63 151.09 4.04 2 0 11.70-999 ?-999 ?-999 ? N6 ADE A 500 mASN^A 77 178.11 148.93 2.64 178.76 149.55 3.08 177.52 146.93 3.60 177.17 147.65 4.53 178.35 147.51 2.46 179.83 147.18 2.66 2 0 9.00-999 ?-999 ?-999 ? O3 CIT A1102 mGLN.A 78 177.21 145.64 3.54 177.56 145.13 2.76 177.14 145.02 5.92 176.56 145.31 6.96 176.41 145.08 4.60 175.90 143.70 4.22 2 0 -6.55-999 ?-999 ?-999 ? O3 CIT A1102s mSER.A 79 178.42 144.68 5.89 178.79 144.49 4.98 180.70 144.79 6.92 181.21 144.65 5.81 179.20 144.60 7.13 178.96 143.25 7.80 2 0 8.68-999 ?-999 ?-999 ? O3 CIT A1102 mTHR^A 80 181.40 145.11 8.00 180.84 145.20 8.83 183.46 144.73 9.23 182.88 144.81 10.32 182.84 145.31 7.97 183.19 146.77 7.92 2 0 5.32-999 ?-999 ?-999 ? N6 ADE A 500 mLEU^A 81 184.65 144.15 9.07 185.00 144.16 8.14 186.74 144.14 10.29 187.40 144.40 9.28 185.35 143.55 10.18 185.46 142.04 9.97 3 0 5.80-999 ?-999 ?-999 ? N6 ADE A 500 mILE^A 82 187.18 144.38 11.51 186.54 144.18 12.25 189.09 144.21 12.92 188.36 143.56 13.69 188.52 144.91 11.71 188.53 146.42 12.03 3 0 -5.45-999 ?-999 ?-999 ? N6 ADE A 500s mTYR^A 83 190.40 144.31 13.06 190.85 144.79 12.30 191.43 145.12 14.84 191.71 146.09 14.11 191.13 143.79 14.21 192.47 143.19 13.80 3 0 8.36-999 ?-999 ?-999 ? N7 ADE A 500 mTYR^A 84 191.35 145.22 16.15 191.07 144.39 16.62 192.62 146.09 17.91 192.37 145.13 18.64 191.67 146.48 16.81 190.42 147.13 17.37 3 0 8.06-999 ?-999 ?-999 ? C8 ADE A 500 mLEU^A 85 193.72 146.82 18.03 193.80 147.58 17.39 195.23 147.67 19.83 195.69 148.66 19.27 194.72 146.49 19.04 195.93 145.82 18.39 3 0 11.49-999 ?-999 ?-999 ? C8 ADE A 500 mLEU^A 86 195.15 147.56 21.15 194.72 146.72 21.49 197.00 148.10 22.53 197.17 146.89 22.71 195.67 148.62 22.00 194.71 148.92 23.13 3 0 13.28-999 ?-999 ?-999 ? N9 ADE A 500 mTHR.A 87 197.95 149.00 22.77 197.70 149.95 22.58 199.90 149.66 24.09 199.52 150.81 24.01 199.26 148.57 23.25 200.22 148.31 22.09 2 0 16.75-999 ?-999 ?-999 ? N9 ADE A 500 mPRO.A 88 200.90 149.30 24.91 201.14 148.33 24.89 202.09 151.45 24.87 202.21 152.60 25.30 201.55 150.31 25.74 202.65 149.51 26.45 3 0 19.86-999 ?-999 ?-999 ? N9 ADE A 500 mASP.A 89 202.40 151.10 23.62 202.26 150.12 23.45 201.87 153.16 22.44 202.23 154.33 22.44 202.89 152.02 22.60 203.02 151.24 21.31 2 0 19.12-999 ?-999 ?-999 ? N9 ADE A 500 mSER.A 90 200.60 152.79 22.26 200.50 151.79 22.21 198.33 152.91 22.79 197.71 152.07 22.15 199.47 153.71 22.16 199.15 154.06 20.71 2 0 16.12-999 ?-999 ?-999 ? N9 ADE A 500 mPRO.A 91 198.05 153.15 24.08 198.62 153.87 24.48 195.59 152.98 24.89 194.73 152.37 25.53 197.01 152.45 24.83 197.62 152.38 26.22 3 0 15.91-999 ?-999 ?-999 ? N9 ADE A 500 mILE^A 92 195.32 154.10 24.24 196.09 154.49 23.72 193.30 154.77 22.96 193.94 155.00 21.94 194.00 154.68 24.30 194.07 156.10 24.92 3 0 13.93-999 ?-999 ?-999 ? N9 ADE A 500 mGLY^A 93 191.99 154.56 22.99 191.63 154.33 23.89 190.21 155.77 22.18 189.15 155.52 22.75 191.16 154.66 21.80-999.99-999.99-999.99 1 0 10.42-999 ?-999 ?-999 ? N9 ADE A 500 mLYS^A 94 190.59 157.00 21.88 191.46 157.04 21.38 188.34 158.23 21.92 187.89 157.63 20.96 189.82 158.18 22.25 190.54 159.43 21.72 2 0 11.79-999 ?-999 ?-999 ? N9 ADE A 500 mPHE^A 95 187.61 158.95 22.76 188.14 159.37 23.50 185.69 159.45 21.23 186.03 160.50 20.67 186.17 159.11 22.63 185.67 160.20 23.60 3 0 12.11-999 ?-999 ?-999 ? N9 ADE A 500 mHIS^A 96 184.89 158.55 20.66 184.73 157.74 21.22 182.93 158.12 19.35 182.64 157.23 20.16 184.31 158.74 19.34 185.17 158.10 18.25 3 0 9.66-999 ?-999 ?-999 ? N9 ADE A 500 mLYS^A 97 182.07 158.57 18.45 182.46 159.27 17.85 180.43 157.53 16.97 181.04 157.98 15.99 180.69 158.10 18.36 179.77 159.29 18.64 2 0 10.05-999 ?-999 ?-999 ? N9 ADE A 500 mASN^A 98 179.52 156.56 16.87 179.12 156.30 17.74 177.67 155.89 15.37 176.90 155.71 16.31 179.18 155.94 15.59 179.72 154.52 15.51 2 0 8.68-999 ?-999 ?-999 ? N9 ADE A 500 mILE.A 99 177.24 156.03 14.12 177.96 156.17 13.44 175.25 154.61 14.10 174.17 154.49 14.66 175.83 156.00 13.82 175.57 156.34 12.34 3 0 11.28-999 ?-999 ?-999 ? C8 ADE A 500 mASN.A 100 175.97 153.57 13.71 176.85 153.80 13.28 176.09 151.52 15.13 177.13 151.94 15.64 175.50 152.20 13.90 175.81 151.36 12.66 2 0 10.31-999 ?-999 ?-999 ? C8 ADE A 500 mARG.A 101 175.40 150.48 15.60 174.57 150.29 15.08 177.05 148.90 16.40 177.17 148.45 15.26 175.82 149.70 16.77 174.73 148.71 17.17 2 0 10.46-999 ?-999 ?-999 ? C8 ADE A 500 mILE^A 102 177.96 148.73 17.34 177.76 149.15 18.22 179.32 146.73 17.92 179.16 146.79 19.14 179.16 147.96 17.03 180.42 148.84 17.13 3 0 7.91-999 ?-999 ?-999 ? C8 ADE A 500 mILE^A 103 179.63 145.60 17.28 179.71 145.69 16.29 181.30 144.20 18.28 182.13 144.35 17.38 179.82 144.36 18.01 179.34 143.16 17.19 3 0 9.68-999 ?-999 ?-999 ? C8 ADE A 500 mHIS^A 104 181.63 143.90 19.54 180.86 143.80 20.16 183.22 142.31 20.45 182.43 141.83 21.25 183.02 143.71 19.93 183.40 144.70 21.03 3 0 9.85-999 ?-999 ?-999 ? C8 ADE A 500 mILE^A 105 184.29 141.66 19.99 184.85 142.19 19.35 186.03 140.27 20.95 186.97 140.57 20.22 184.61 140.30 20.42 184.53 139.32 19.25 3 0 12.48-999 ?-999 ?-999 ? C8 ADE A 500 mLEU^A 106 186.18 139.93 22.23 185.34 139.73 22.72 188.25 138.71 22.22 187.67 137.65 21.99 187.51 139.87 22.81 187.46 139.66 24.32 3 0 14.39-999 ?-999 ?-999 ? C8 ADE A 500 mGLN^A 107 189.55 138.89 21.99 189.89 139.80 22.21 191.60 137.49 22.32 191.90 136.33 22.56 190.38 137.81 21.45 190.80 138.13 20.02 2 0 15.81-999 ?-999 ?-999 ? C8 ADE A 500 mARG^A 108 192.27 138.53 22.80 191.90 139.42 22.55 193.63 139.53 24.56 193.26 140.65 24.22 193.46 138.34 23.63 194.72 138.25 22.76 2 0 17.77-999 ?-999 ?-999 ? C8 ADE A 500 mGLY^A 109 194.21 139.30 25.73 194.44 138.34 25.91 193.33 140.94 27.47 192.32 140.27 27.71 194.47 140.38 26.65-999.99-999.99-999.99 1 0 18.96-999 ?-999 ?-999 ? C8 ADE A 500 mLYS.A 110 193.51 142.19 27.91 194.36 142.61 27.62 192.43 144.35 28.45 193.42 144.98 28.09 192.52 142.86 28.75 192.87 142.64 30.23 2 0 18.59-999 ?-999 ?-999 ? C8 ADE A 500 mGLY^A 111 191.23 144.90 28.59 190.50 144.28 28.87 189.84 146.82 29.12 189.19 146.06 29.83 191.04 146.32 28.35-999.99-999.99-999.99 1 0 16.58-999 ?-999 ?-999 ? C8 ADE A 500 mGLN^A 112 189.54 148.10 28.99 190.14 148.62 28.38 187.71 149.64 28.76 188.37 150.30 27.95 188.41 148.66 29.70 188.90 149.36 30.97 2 0 16.79-999 ?-999 ?-999 ? C8 ADE A 500 mTYR^A 113 186.39 149.72 28.85 185.98 149.11 29.54 184.87 151.64 28.86 184.43 151.33 29.97 185.61 150.62 28.01 184.60 149.83 27.18 3 0 14.78-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 114 184.74 152.85 28.35 185.18 152.98 27.46 183.04 154.49 28.03 183.46 155.02 27.00 184.01 153.91 29.04 184.94 155.03 29.53 3 0 16.26-999 ?-999 ?-999 ? C8 ADE A 500 mLEU^A 115 181.75 154.37 28.33 181.56 153.93 29.21 179.98 156.07 27.98 179.58 156.09 29.14 180.72 154.86 27.43 179.69 153.76 27.15 3 0 15.65-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 116 179.78 157.09 27.14 180.18 156.99 26.23 177.79 158.30 26.73 177.86 158.55 25.53 179.03 158.24 27.58 179.82 159.52 27.42 3 0 17.50-999 ?-999 ?-999 ? N9 ADE A 500 mTYR.A 117 176.65 158.05 27.35 176.74 157.84 28.32 174.91 159.50 26.38 175.29 160.44 27.08 175.37 158.07 26.66 174.33 157.33 27.50 3 0 18.54-999 ?-999 ?-999 ? C8 ADE A 500 mPRO.A 118 174.07 159.69 25.35 173.81 158.87 24.84 172.93 161.77 26.21 173.01 162.99 26.30 173.60 161.04 25.05 172.68 160.84 23.84 3 0 19.81-999 ?-999 ?-999 ? N9 ADE A 500 mASP.A 119 172.27 161.04 27.11 172.28 160.06 26.96 172.63 162.15 29.26 172.28 162.78 30.26 171.61 161.71 28.23 170.58 160.79 28.87 2 0 23.37-999 ?-999 ?-999 ? N9 ADE A 500 mGLY.A 120 173.89 161.80 29.02 174.03 161.27 28.19 175.45 161.15 30.90 176.39 161.41 31.67 174.96 162.20 29.93-999.99-999.99-999.99 1 0 22.88-999 ?-999 ?-999 ? N9 ADE A 500 mGLN.A 121 174.84 159.97 30.87 174.10 159.91 30.19 176.54 158.21 31.40 176.80 157.92 30.23 175.21 158.87 31.76 174.09 157.83 31.77 2 0 22.87-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 122 177.38 157.97 32.39 177.07 158.25 33.29 178.68 155.89 32.59 178.21 155.56 33.68 178.67 157.33 32.12 179.84 158.08 32.78 3 0 21.27-999 ?-999 ?-999 ? C8 ADE A 500 mLYS^A 123 179.23 155.03 31.75 179.58 155.43 30.91 180.70 153.15 31.74 181.27 153.52 30.72 179.30 153.63 32.06 178.27 152.89 31.21 2 0 20.11-999 ?-999 ?-999 ? C8 ADE A 500 mSER^A 124 181.27 152.33 32.63 180.71 152.13 33.43 182.65 150.36 32.88 182.18 150.06 33.97 182.61 151.80 32.41 183.64 152.62 33.17 2 0 19.46-999 ?-999 ?-999 ? C8 ADE A 500 mPHE^A 125 183.21 149.49 32.06 183.56 149.89 31.21 184.61 147.47 31.83 185.24 148.04 30.93 183.31 148.06 32.39 182.10 147.31 31.82 3 0 19.44-999 ?-999 ?-999 ? C8 ADE A 500 mLYS^A 126 185.00 146.31 32.35 184.39 145.93 33.05 186.04 144.54 30.92 185.05 143.80 30.97 186.22 145.69 31.90 187.04 145.24 33.10 2 0 19.27-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 127 187.01 144.41 30.01 187.74 145.09 30.09 188.12 142.35 29.25 189.28 142.73 29.34 187.01 143.36 29.00 187.20 143.94 27.59 3 0 17.35-999 ?-999 ?-999 ? C8 ADE A 500 mGLY.A 128 187.75 141.08 29.35 186.76 140.93 29.26 188.00 138.69 29.65 186.78 138.64 29.55 188.72 140.03 29.58-999.99-999.99-999.99 1 0 19.63-999 ?-999 ?-999 ? C8 ADE A 500 mPHE.A 129 188.74 137.60 29.81 189.72 137.76 29.89 187.78 135.78 31.28 187.34 134.64 31.43 188.11 136.28 29.88 188.99 135.25 29.17 3 0 22.00-999 ?-999 ?-999 ? C8 ADE A 500 mASP~A 130 187.97 136.61 32.30 188.33 137.51 32.05 186.26 136.69 33.99 186.09 137.65 34.75 187.66 136.18 33.65 188.71 136.74 34.61 2 0 24.99-999 ?-999 ?-999 ? C8 ADE A 500 mTYR~A 131 185.26 136.03 33.42 185.55 135.26 32.86 183.39 136.32 35.04 182.56 137.12 35.47 183.86 136.41 33.60 182.96 135.57 32.69 3 0 24.80-999 ?-999 ?-999 ? C8 ADE A 500 mLYS~A 132 183.92 135.35 35.78 184.57 134.76 35.31 183.83 136.53 37.92 183.08 136.93 38.82 183.55 135.22 37.19 184.31 134.06 37.83 2 0 28.46-999 ?-999 ?-999 ? C8 ADE A 500 mASN~A 133 184.90 137.21 37.53 185.43 136.78 36.80 184.63 139.65 37.36 185.15 140.76 37.38 185.24 138.49 38.13 186.76 138.66 38.21 2 0 27.63-999 ?-999 ?-999 ? C8 ADE A 500 mGLY~A 134 183.52 139.37 36.68 183.23 138.41 36.74 183.52 140.95 34.71 183.40 142.14 34.43 182.81 140.38 35.92-999.99-999.99-999.99 1 0 24.98-999 ?-999 ?-999 ? C8 ADE A 500 mGLU.A 135 184.25 140.12 33.98 184.28 139.18 34.31 184.16 140.15 31.57 183.84 138.97 31.42 184.95 140.60 32.78 186.37 140.03 32.72 2 0 21.91-999 ?-999 ?-999 ? C8 ADE A 500 mVAL.A 136 183.84 141.09 30.70 184.15 142.01 30.94 184.01 140.38 28.36 185.09 140.96 28.22 183.08 140.76 29.51 182.18 141.94 29.13 3 0 19.12-999 ?-999 ?-999 ? C8 ADE A 500 mSER.A 137 183.61 139.41 27.55 182.72 139.01 27.77 183.67 139.20 25.12 184.12 138.82 24.04 184.43 139.00 26.42 184.84 137.53 26.58 2 0 17.51-999 ?-999 ?-999 ? C8 ADE A 500 mGLN^A 138 182.52 139.84 25.23 182.30 140.14 26.16 180.66 141.20 24.45 179.86 141.04 25.36 181.65 140.07 24.08 180.96 138.74 23.80 2 0 15.54-999 ?-999 ?-999 ? C8 ADE A 500 mTRP^A 139 180.73 142.33 23.76 181.42 142.35 23.03 179.38 144.30 22.86 180.07 144.36 21.83 179.83 143.44 24.07 180.50 144.32 25.13 3 0 14.15-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 140 178.23 144.96 23.00 177.79 144.83 23.89 177.40 147.23 22.41 176.77 147.44 23.45 177.67 145.81 21.93 176.32 145.26 21.41 3 0 12.68-999 ?-999 ?-999 ? C8 ADE A 500 mVAL^A 141 177.86 148.22 21.65 178.36 147.94 20.83 176.75 150.28 21.00 177.12 150.40 19.83 177.62 149.60 22.03 178.94 150.38 22.25 3 0 11.93-999 ?-999 ?-999 ? C8 ADE A 500 mPRO.A 142 175.55 150.71 21.42 175.40 150.52 22.39 175.06 152.60 19.88 175.93 153.32 20.39 174.54 151.39 20.61 173.48 151.77 21.64 3 0 13.36-999 ?-999 ?-999 ? C8 ADE A 500 mGLY.A 143 174.53 152.82 18.68 173.85 152.15 18.38 174.52 155.22 18.64 173.54 155.21 19.40 174.93 153.96 17.89-999.99-999.99-999.99 1 0 12.19-999 ?-999 ?-999 ? C8 ADE A 500 mGLY.A 144 175.29 156.29 18.44 176.05 156.16 17.81 175.67 157.64 20.47 175.79 158.74 21.01 175.00 157.54 19.11-999.99-999.99-999.99 1 0 14.07-999 ?-999 ?-999 ? C8 ADE A 500 mVAL.A 145 176.10 156.50 21.00 175.93 155.69 20.44 178.26 156.63 22.15 178.90 155.87 21.42 176.76 156.46 22.30 176.49 155.12 23.02 3 0 14.04-999 ?-999 ?-999 ? C8 ADE A 500 mPHE^A 146 178.82 157.62 22.83 178.18 158.17 23.37 181.01 156.74 23.46 180.55 156.24 24.50 180.26 157.87 22.77 180.63 159.19 23.46 3 0 12.99-999 ?-999 ?-999 ? N9 ADE A 500 mLYS^A 147 182.13 156.33 22.90 182.39 156.77 22.04 184.40 155.53 23.45 184.90 156.17 22.52 182.91 155.29 23.54 182.57 153.89 23.00 2 0 11.57-999 ?-999 ?-999 ? N9 ADE A 500 mALA^A 148 185.11 155.02 24.44 184.56 154.56 25.14 186.96 153.85 25.23 186.12 153.15 25.82 186.54 155.13 24.52 186.93 156.34 25.35 2 0 11.95-999 ?-999 ?-999 ? N9 ADE A 500 mSER^A 149 188.24 153.51 25.13 188.80 154.14 24.60 190.23 152.49 25.98 190.88 153.20 25.21 188.74 152.31 25.78 188.49 151.07 24.91 2 0 12.94-999 ?-999 ?-999 ? N9 ADE A 500 mPHE^A 150 190.75 151.87 27.03 190.09 151.37 27.59 192.67 150.56 27.73 191.91 149.75 28.25 192.18 151.93 27.32 192.49 152.97 28.41 3 0 15.39-999 ?-999 ?-999 ? N9 ADE A 500 mLEU^A 151 193.94 150.32 27.47 194.40 151.10 27.04 194.75 148.82 29.28 195.00 149.75 30.04 194.62 149.07 27.77 196.01 149.12 27.12 3 0 17.06-999 ?-999 ?-999 ? N9 ADE A 500 mLEU.A 152 194.55 147.57 29.71 194.29 146.93 28.99 195.93 146.30 31.14 196.05 145.38 30.33 194.72 147.21 31.12 193.51 146.45 31.67 3 0 20.32-999 ?-999 ?-999 ? C8 ADE A 500 mPRO.A 153 196.85 146.55 32.07 196.67 147.31 32.69 197.67 144.23 32.24 196.71 143.87 32.92 198.04 145.70 32.12 198.80 146.24 33.32 3 0 23.09-999 ?-999 ?-999 ? C8 ADE A 500 mASN.A 154 198.43 143.38 31.57 199.17 143.79 31.04 199.24 141.14 30.99 199.76 141.47 29.92 198.15 141.96 31.63 196.82 141.64 30.94 2 0 23.81-999 ?-999 ?-999 ? C8 ADE A 500 mGLU.A 155 199.62 140.09 31.69 199.15 140.01 32.58 199.63 138.27 30.44 198.44 138.56 30.45 200.60 139.14 31.23 201.14 138.41 32.45 2 0 26.00-999 ?-999 ?-999 ? C8 ADE A 500 mGLU.A 156 200.09 137.24 29.77 201.08 137.10 29.84 199.05 136.96 27.60 198.76 136.24 26.65 199.18 136.39 28.99 197.79 136.29 29.65 2 0 25.09-999 ?-999 ?-999 ? C8 ADE A 500 mPHE.A 157 199.22 138.27 27.47 199.36 138.78 28.32 200.11 140.10 26.09 199.79 141.13 25.50 199.19 138.88 26.16 197.76 139.23 25.72 3 0 22.01-999 ?-999 ?-999 ? C8 ADE A 500 mASP.A 158 201.28 139.93 26.70 201.37 139.04 27.14 201.82 142.38 26.79 202.24 143.23 26.01 202.32 140.95 26.74 203.27 140.75 25.55 2 0 23.48-999 ?-999 ?-999 ? C8 ADE A 500 mASN.A 159 200.92 142.66 27.73 200.67 141.87 28.30 199.67 144.53 26.65 199.74 145.72 26.36 200.35 143.99 27.89 201.43 144.98 28.36 2 0 21.75-999 ?-999 ?-999 ? C8 ADE A 500 mGLY.A 160 199.00 143.64 25.92 199.06 142.70 26.27 196.77 143.72 24.87 196.35 143.00 25.78 198.27 144.01 24.73-999.99-999.99-999.99 1 0 18.25-999 ?-999 ?-999 ? C8 ADE A 500 mPHE^A 161 195.98 144.26 23.97 196.45 144.79 23.27 194.01 143.87 22.58 193.91 144.82 21.81 194.53 144.08 24.01 193.91 145.32 24.65 3 0 15.36-999 ?-999 ?-999 ? C8 ADE A 500 mLEU^A 162 193.66 142.64 22.23 193.75 141.95 22.94 191.73 141.97 20.80 191.32 140.99 21.44 193.20 142.38 20.87 194.06 141.28 20.24 3 0 13.45-999 ?-999 ?-999 ? C8 ADE A 500 mILE^A 163 190.96 142.69 19.99 191.43 143.44 19.52 189.18 142.49 18.34 189.96 143.02 17.55 189.54 142.40 19.82 188.64 143.43 20.56 3 0 11.11-999 ?-999 ?-999 ? C8 ADE A 500 mSER^A 164 188.02 141.96 17.99 187.53 141.53 18.74 186.26 142.90 16.67 185.55 142.88 17.67 187.50 142.03 16.61 187.11 140.65 16.07 2 0 9.09-999 ?-999 ?-999 ? N7 ADE A 500 mGLU^A 165 186.01 143.66 15.62 186.67 143.60 14.88 184.03 144.35 14.32 184.60 144.37 13.23 184.83 144.52 15.60 185.24 145.99 15.74 2 0 6.29-999 ?-999 ?-999 ? N7 ADE A 500 mVAL^A 166 182.72 144.19 14.46 182.40 144.16 15.41 180.79 145.16 13.31 180.07 145.35 14.29 181.86 144.06 13.30 181.18 142.68 13.26 3 0 6.90-999 ?-999 ?-999 ? N7 ADE A 500 mVAL^A 167 180.71 145.90 12.21 181.35 145.64 11.48 178.70 146.71 11.05 179.02 146.30 9.93 179.77 147.01 12.10 180.49 148.31 11.72 3 0 6.45-999 ?-999 ?-999 ? N7 ADE A 500 mVAL.A 168 177.44 146.90 11.43 177.34 147.24 12.37 175.33 147.78 10.68 174.82 148.02 11.77 176.32 146.65 10.55 175.56 145.37 10.92 3 0 9.93-999 ?-999 ?-999 ? N7 ADE A 500 mPRO.A 169 175.09 148.53 9.59 174.42 149.25 9.76 177.22 148.60 8.41 177.67 149.14 9.42 175.72 148.35 8.27 175.02 149.41 7.42 3 0 10.64-999 ?-999 ?-999 ? N6 ADE A 500 mGLY.A 170 177.98 148.23 7.38 177.47 147.85 6.61 179.94 149.79 7.64 179.36 150.76 7.15 179.43 148.38 7.40-999.99-999.99-999.99 1 0 7.13-999 ?-999 ?-999 ? N6 ADE A 500 mPHE.A 171 181.04 149.89 8.38 181.41 149.01 8.68 181.86 152.12 7.52 182.22 151.70 6.43 181.63 151.18 8.70 182.97 150.98 9.41 3 0 -5.08-999 ?-999 ?-999 ? N6 ADE A 500s mASP~A 172 181.69 153.41 7.76 181.42 153.61 8.70 182.18 155.70 7.53 181.37 156.08 8.36 181.88 154.43 6.73 180.59 154.59 5.93 2 0 6.84-999 ?-999 ?-999 ? N1 ADE A 500 mPHE~A 173 183.32 156.34 7.29 183.89 155.95 6.58 182.58 158.62 8.08 182.54 159.44 8.99 183.65 157.54 8.06 184.99 158.13 7.61 3 0 6.88-999 ?-999 ?-999 ? C2 ADE A 500 mGLU~A 174 181.71 158.62 7.09 181.85 157.90 6.41 179.70 159.33 8.24 178.83 160.14 8.55 180.63 159.59 7.05 179.83 159.44 5.75 2 0 10.56-999 ?-999 ?-999 ? C2 ADE A 500 mASP.A 175 179.90 158.19 8.89 180.65 157.64 8.53 179.85 157.90 11.36 179.31 157.64 12.43 179.09 157.80 10.04 178.57 156.37 9.84 2 0 9.90-999 ?-999 ?-999 ? N3 ADE A 500 mHIS^A 176 181.11 158.30 11.28 181.40 158.52 10.35 182.19 159.85 12.94 182.39 160.76 12.14 181.99 158.41 12.44 183.33 157.80 12.06 3 0 8.05-999 ?-999 ?-999 ? N9 ADE A 500 mTHR^A 177 182.15 160.07 14.24 181.97 159.27 14.81 183.08 161.48 16.09 182.67 160.84 17.05 182.36 161.43 14.75 181.04 162.20 14.84 2 0 10.67-999 ?-999 ?-999 ? N9 ADE A 500 mPHE^A 178 184.16 162.26 16.15 184.35 162.73 15.28 184.38 163.34 18.39 183.76 164.35 18.06 184.98 162.41 17.35 186.37 162.95 16.98 3 0 11.65-999 ?-999 ?-999 ? N9 ADE A 500 mLEU.A 179 184.57 163.01 19.66 185.07 162.16 19.81 184.95 165.10 20.57 186.18 165.01 20.48 184.10 163.86 20.74 184.39 163.22 22.10 3 0 14.58-999 ?-999 ?-999 ? N9 ADE A 500 mLYS~A 180 184.33 166.27 20.53 183.33 166.22 20.63 185.79 167.99 21.61 185.31 168.90 22.30 185.07 167.50 20.34 184.14 168.58 19.79 2 0 17.48-999 ?-999 ?-999 ? N9 ADE A 500 mGLY~A 181 186.93 167.37 21.90 187.19 166.65 21.26 187.04 167.60 24.41 185.95 167.02 24.51 187.72 167.74 23.06-999.99-999.99-999.99 1 0 18.98-999 ?-999 ?-999 ? N9 ADE A 500 mGLU~A 182 187.68 168.12 25.45 188.55 168.56 25.21 185.98 169.02 26.99 185.24 168.93 27.97 187.15 168.06 26.81 188.24 168.39 27.82 2 0 21.40-999 ?-999 ?-999 ? N9 ADE A 500 mASP~A 183 185.84 169.95 26.05 186.52 169.92 25.32 183.42 170.22 26.09 182.67 170.26 27.06 184.76 170.92 26.11 184.84 171.88 24.93 2 0 23.32-999 ?-999 ?-999 ? N9 ADE A 500 mGLU~A 184 183.14 169.58 24.96 183.85 169.63 24.26 181.72 167.81 25.87 180.60 167.38 26.16 181.89 168.86 24.78 181.85 168.21 23.40 2 0 21.27-999 ?-999 ?-999 ? N9 ADE A 500 mLEU~A 185 182.82 167.39 26.46 183.67 167.80 26.12 182.15 167.09 28.74 181.29 166.52 29.42 182.77 166.40 27.53 184.18 165.92 27.88 3 0 20.94-999 ?-999 ?-999 ? N9 ADE A 500 mLYS~A 186 182.59 168.32 28.99 183.29 168.65 28.36 180.57 169.26 29.91 179.81 169.19 30.87 182.07 169.10 30.10 182.72 170.49 30.15 2 0 24.74-999 ?-999 ?-999 ? N9 ADE A 500 mHIS~A 187 180.16 169.48 28.67 180.89 169.51 27.99 177.95 168.39 28.62 176.80 168.45 29.06 178.75 169.65 28.36 178.56 170.07 26.89 3 0 24.79-999 ?-999 ?-999 ? N9 ADE A 500 mLEU~A 188 178.57 167.24 28.38 179.51 167.35 28.05 177.94 165.36 29.97 176.95 164.78 30.41 177.92 165.94 28.56 178.54 164.92 27.62 3 0 22.67-999 ?-999 ?-999 ? N9 ADE A 500 mVAL~A 189 179.06 165.51 30.67 179.78 166.03 30.22 179.57 165.87 33.12 179.93 165.43 34.21 179.16 164.93 32.00 180.17 163.76 31.98 3 0 24.18-999 ?-999 ?-999 ? N9 ADE A 500 mGLY~A 190 179.52 167.17 32.87 179.20 167.43 31.95 181.42 168.22 33.93 182.12 167.31 33.49 179.91 168.11 33.89-999.99-999.99-999.99 1 0 27.29-999 ?-999 ?-999 ? N9 ADE A 500 mPRO~A 191 181.96 169.32 34.47 181.31 170.00 34.82 184.12 168.48 35.42 185.15 167.92 35.03 183.41 169.48 34.52 183.57 170.91 35.01 3 0 28.03-999 ?-999 ?-999 ? N9 ADE A 500 mGLU~A 192 183.57 168.23 36.60 182.72 168.72 36.78 184.43 165.93 36.97 185.50 165.35 37.18 184.20 167.32 37.55 183.37 167.23 38.83 2 0 29.12-999 ?-999 ?-999 ? N9 ADE A 500 mLYS~A 193 183.45 165.40 36.25 182.63 165.97 36.16 184.47 164.21 34.41 185.44 163.47 34.24 183.60 164.07 35.65 182.24 163.48 35.27 2 0 25.89-999 ?-999 ?-999 ? N9 ADE A 500 mALA~A 194 184.12 165.17 33.57 183.31 165.68 33.85 186.35 165.43 32.61 187.13 164.83 31.86 184.86 165.44 32.34 184.45 166.79 31.77 2 0 23.72-999 ?-999 ?-999 ? N9 ADE A 500 mALA~A 195 186.75 166.11 33.68 186.01 166.55 34.19 188.70 164.77 34.22 189.76 164.44 33.68 188.15 166.18 34.05 188.29 166.96 35.33 2 0 25.57-999 ?-999 ?-999 ? N9 ADE A 500 mGLU~A 196 187.98 163.93 34.94 187.13 164.32 35.31 188.64 161.77 33.90 189.63 161.07 33.76 188.42 162.56 35.18 187.40 161.82 36.06 2 0 24.73-999 ?-999 ?-999 ? N9 ADE A 500 mLEU~A 197 187.71 161.91 32.96 186.97 162.54 33.20 188.50 161.96 30.59 188.48 161.56 29.43 187.77 161.19 31.69 186.36 160.87 31.22 3 0 20.96-999 ?-999 ?-999 ? N9 ADE A 500 mALA~A 198 189.14 163.07 30.95 189.10 163.27 31.93 190.94 163.18 29.21 191.20 163.49 28.04 189.84 163.90 29.97 190.40 165.13 30.64 2 0 21.15-999 ?-999 ?-999 ? N9 ADE A 500 mPHE~A 199 191.60 162.22 29.86 191.28 162.05 30.79 192.21 160.62 28.08 193.01 160.16 27.27 192.69 161.50 29.22 193.45 160.66 30.26 3 0 19.95-999 ?-999 ?-999 ? N9 ADE A 500 mLEU~A 200 190.91 160.38 28.02 190.38 160.82 28.75 189.78 160.39 25.83 189.13 159.86 24.94 190.33 159.55 26.98 189.20 158.71 27.56 3 0 16.48-999 ?-999 ?-999 ? N9 ADE A 500 mALA~A 201 190.03 161.69 25.83 190.58 162.02 26.60 190.61 163.37 24.12 191.69 163.53 24.69 189.52 162.53 24.76 188.43 163.45 25.31 2 0 16.28-999 ?-999 ?-999 ? N9 ADE A 500 mHIS.A 202 190.32 163.89 22.93 189.40 163.67 22.62 191.67 166.04 22.81 191.30 166.29 23.98 191.25 164.71 22.16 190.65 165.01 20.79 3 0 16.66-999 ?-999 ?-999 ? N9 ADE A 500 mGLN.B 6 190.79 132.13 0.61 190.32 132.98 0.39 192.98 131.07 1.16 193.83 130.39 0.56 191.49 130.85 0.93 191.30 129.84 -0.21 2 0 17.58-999 ?-999 ?-999 ? O4 CIT A1102 mGLU.B 7 193.29 132.02 2.03 192.51 132.49 2.44 195.19 131.50 3.50 196.40 131.43 3.74 194.68 132.35 2.34 194.80 133.83 2.67 2 0 19.97-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 8 194.28 130.85 4.21 193.34 131.00 3.90 195.56 128.87 4.89 195.32 128.25 3.84 194.65 130.01 5.34 193.39 129.45 6.01 2 0 20.82-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 9 196.60 128.60 5.67 196.68 129.19 6.48 196.82 126.19 5.37 196.16 125.85 6.36 197.54 127.53 5.34 198.69 127.54 6.34 2 0 24.45-999 ?-999 ?-999 ? O4 CIT A1102 mASN.B 10 196.93 125.42 4.29 197.49 125.81 3.56 196.81 123.19 5.33 198.02 123.02 5.47 196.28 124.11 4.22 196.51 123.48 2.85 2 0 24.93-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 11 195.90 122.60 6.11 194.96 122.81 5.87 195.95 120.27 7.02 195.10 119.93 6.21 196.30 121.74 7.22 195.68 122.25 8.51 2 0 26.63-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 12 196.62 119.42 7.80 197.26 119.86 8.42 195.31 117.46 8.65 195.41 117.55 9.88 196.42 117.97 7.74 197.73 117.26 8.08 2 0 29.23-999 ?-999 ?-999 ? O4 CIT A1102 mILE.B 13 194.26 116.92 8.05 194.31 116.90 7.05 193.60 115.25 9.72 193.76 114.11 9.26 193.13 116.39 8.81 192.05 115.82 7.86 3 0 28.35-999 ?-999 ?-999 ? O4 CIT A1102 mGLU.B 14 193.82 115.53 11.00 193.64 116.48 11.25 193.60 114.60 13.31 194.15 115.20 14.24 194.27 114.50 11.94 195.79 114.58 12.13 2 0 31.24-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 15 192.40 114.00 13.45 192.08 113.54 12.63 192.49 113.58 15.89 193.68 113.36 15.75 191.64 114.02 14.71 190.51 113.03 14.43 3 0 31.04-999 ?-999 ?-999 ? O4 CIT A1102 mALA~B 16 191.85 113.46 17.05 190.88 113.69 17.02 191.62 112.02 18.90 190.51 111.78 18.40 192.54 113.02 18.25 192.80 114.18 19.18 2 0 33.73-999 ?-999 ?-999 ? O4 CIT A1102 mSER~B 17 192.05 111.42 20.00 192.97 111.70 20.29 189.84 111.04 20.91 188.84 110.40 20.58 191.23 110.45 20.70 191.85 110.11 22.06 2 0 36.18-999 ?-999 ?-999 ? O4 CIT A1102 mPHE~B 18 189.81 112.25 21.46 190.71 112.62 21.66 187.60 112.92 20.56 186.50 112.39 20.67 188.57 112.97 21.73 188.83 114.46 21.97 3 0 33.73-999 ?-999 ?-999 ? O4 CIT A1102 mVAL~B 19 188.03 113.49 19.45 188.96 113.86 19.50 186.52 112.28 17.86 185.30 112.21 17.85 187.20 113.58 18.26 188.01 114.14 17.07 3 0 30.93-999 ?-999 ?-999 ? O4 CIT A1102 mLYS~B 20 187.30 111.26 17.53 188.28 111.44 17.59 186.03 109.26 18.27 184.94 108.71 18.10 186.73 109.97 17.12 187.82 109.07 16.53 2 0 33.17-999 ?-999 ?-999 ? O4 CIT A1102 mVAL~B 21 186.65 109.28 19.44 187.53 109.74 19.44 185.81 109.78 21.64 186.61 109.99 22.56 186.05 108.67 20.63 186.99 107.60 21.24 3 0 35.65-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 22 184.71 110.53 21.46 184.15 110.26 20.68 184.17 111.20 23.79 183.78 110.07 24.07 184.35 111.63 22.35 183.06 112.16 21.73 3 0 33.73-999 ?-999 ?-999 ? O4 CIT A1102 mMETB 23 184.49 112.11 24.69 184.82 112.98 24.30 182.89 111.80 26.50 182.02 112.26 25.76 184.37 111.88 26.12 185.02 113.02 26.90 2 0 35.85-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 24 182.59 111.20 27.67 183.39 110.86 28.17 180.60 112.41 28.55 179.51 112.78 28.10 181.21 111.06 28.14 181.35 110.10 29.31 3 0 33.14-999 ?-999 ?-999 ? O1 GOL C1901 mGLU.B 25 181.32 113.14 29.39 182.18 112.71 29.67 182.04 115.41 29.64 183.18 114.99 29.43 180.89 114.45 29.87 180.56 114.40 31.36 2 0 31.35-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.B 26 181.77 116.72 29.68 180.82 116.98 29.85 183.68 117.87 30.73 183.18 117.68 31.83 182.88 117.66 29.46 182.16 118.93 29.02 3 0 32.61-999 ?-999 ?-999 ? O1 GOL C1901 mPRO~B 27 184.95 118.26 30.59 185.27 118.37 29.65 185.19 119.62 32.65 184.72 120.64 32.15 185.76 118.49 31.78 187.14 118.82 31.20 3 0 34.88-999 ?-999 ?-999 ? O1 GOL C1901 mSER~B 28 185.23 119.42 33.96 185.64 118.54 34.22 184.78 121.86 34.52 183.75 122.53 34.46 184.73 120.38 34.92 185.48 120.20 36.23 2 0 33.35-999 ?-999 ?-999 ? O1 GOL C1901 mSER~B 29 185.97 122.37 34.25 186.73 121.72 34.33 185.22 124.19 32.74 184.60 125.25 32.78 186.12 123.79 33.89 187.57 124.11 33.52 2 0 33.74-999 ?-999 ?-999 ? C8 ADE A 500 mLEU~B 30 185.16 123.36 31.71 185.72 122.54 31.80 182.86 123.48 30.93 182.03 124.32 30.58 184.32 123.64 30.56 184.70 122.72 29.40 3 0 31.95-999 ?-999 ?-999 ? C8 ADE A 500 mGLN~B 31 182.55 122.40 31.65 183.33 121.81 31.85 180.65 123.31 32.89 179.48 123.67 32.78 181.19 122.12 32.10 181.16 120.88 32.98 2 0 30.01-999 ?-999 ?-999 ? O1 GOL C1901 mGLN~B 32 181.52 123.91 33.69 182.44 123.52 33.67 180.80 126.22 33.64 179.83 126.94 33.90 181.14 125.04 34.52 182.27 125.40 35.47 2 0 29.75-999 ?-999 ?-999 ? O1 GOL C1901 mLEU~B 33 181.61 126.42 32.60 182.37 125.77 32.53 180.07 127.25 30.98 179.25 128.16 30.78 181.39 127.51 31.66 182.48 127.54 30.60 3 0 29.73-999 ?-999 ?-999 ? C8 ADE A 500 mILE~B 34 179.85 126.00 30.59 180.59 125.35 30.79 177.44 126.04 30.85 176.51 126.70 30.40 178.62 125.66 29.94 178.60 124.17 29.58 3 0 28.01-999 ?-999 ?-999 ? O1 GOL C1901 mASN~B 35 177.49 125.67 32.13 178.31 125.17 32.40 176.25 127.51 33.27 175.15 128.05 33.19 176.40 126.01 33.04 176.57 125.33 34.40 2 0 25.29-999 ?-999 ?-999 ? O1 GOL C1901 mASP~B 36 177.35 128.18 33.57 178.19 127.64 33.60 176.80 130.44 32.65 176.02 131.36 32.83 177.30 129.61 33.82 178.67 130.13 34.24 2 0 26.71-999 ?-999 ?-999 ? O1 GOL C1901 mTRP~B 37 177.26 130.13 31.44 177.89 129.36 31.42 175.56 130.33 29.72 175.03 130.83 28.72 176.84 130.90 30.28 177.92 130.87 29.20 3 0 27.22-999 ?-999 ?-999 ? O1 GOL C1901 mGLN.B 38 175.07 129.28 30.35 175.61 128.97 31.14 173.92 128.32 28.42 173.13 128.79 27.62 173.84 128.65 29.92 172.67 129.60 30.22 2 0 23.94-999 ?-999 ?-999 ? O1 GOL C1901 mLEU.B 39 174.90 127.50 28.07 175.48 127.20 28.83 174.38 125.76 26.43 174.45 124.84 27.24 175.11 127.08 26.69 176.61 126.91 26.39 3 0 25.88-999 ?-999 ?-999 ? O1 GOL C1901 mILE^B 40 173.68 125.67 25.32 173.70 126.49 24.74 173.64 123.71 23.87 174.24 124.31 22.98 172.95 124.46 24.99 171.49 124.80 24.57 3 0 24.40-999 ?-999 ?-999 ? O1 GOL C1901 mLYS^B 41 173.56 122.38 23.93 173.05 122.02 24.71 173.45 121.78 21.58 172.24 121.63 21.47 174.17 121.55 22.91 174.10 120.07 23.33 2 0 25.59-999 ?-999 ?-999 ? O1 CIT A1102 mHIS.B 42 174.23 122.18 20.57 175.19 122.25 20.83 173.48 121.24 18.41 174.18 120.23 18.53 173.73 122.49 19.24 174.75 123.38 18.50 3 0 22.10-999 ?-999 ?-999 ? O1 CIT A1102 mARG.B 43 172.48 121.35 17.55 172.02 122.23 17.57 173.30 119.66 15.95 173.50 118.45 15.98 172.09 120.27 16.65 171.11 120.85 15.64 2 0 21.55-999 ?-999 ?-999 ? O1 CIT A1102 mGLU.B 44 174.13 120.50 15.35 173.87 121.46 15.41 176.44 119.63 15.59 177.51 119.20 15.15 175.33 120.03 14.64 175.88 121.11 13.71 2 0 21.17-999 ?-999 ?-999 ? O1 CIT A1102 mGLY.B 45 176.21 119.77 16.89 175.30 120.12 17.13 177.87 120.67 18.48 177.80 121.76 17.92 177.24 119.43 17.85-999.99-999.99-999.99 1 0 23.68-999 ?-999 ?-999 ? O4 CIT A1102 mGLY.B 46 178.49 120.50 19.64 178.51 119.56 19.99 177.98 122.34 21.08 176.83 121.90 21.06 179.08 121.64 20.30-999.99-999.99-999.99 1 0 23.93-999 ?-999 ?-999 ? O4 CIT A1102 mTYR^B 47 178.31 123.42 21.77 179.28 123.67 21.71 177.30 125.57 22.02 178.27 126.04 21.45 177.32 124.15 22.54 177.68 124.16 24.03 3 0 23.89-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 48 176.18 126.26 22.22 175.45 125.78 22.71 175.08 128.43 22.48 174.39 127.95 23.36 176.10 127.61 21.73 175.70 127.61 20.27 3 0 21.31-999 ?-999 ?-999 ? O4 CIT A1102 mLYS^B 49 174.99 129.69 22.08 175.62 129.94 21.34 173.99 131.83 21.79 175.03 132.35 21.40 174.03 130.60 22.66 174.44 131.00 24.08 2 0 20.96-999 ?-999 ?-999 ? O4 CIT A1102 mGLU^B 50 172.78 132.27 21.46 172.01 131.73 21.81 172.72 134.63 21.61 171.83 134.84 22.43 172.64 133.46 20.64 171.32 133.46 19.90 2 0 18.36-999 ?-999 ?-999 ? O4 CIT A1102 mTHR^B 51 173.82 135.36 21.52 174.46 135.09 20.80 173.45 137.78 21.95 173.02 138.58 22.78 174.04 136.47 22.40 175.50 136.65 22.63 2 0 19.47-999 ?-999 ?-999 ? O4 CIT A1102 mASP^B 52 173.45 138.03 20.66 173.85 137.33 20.07 172.15 139.15 18.88 172.70 138.61 17.92 172.87 139.27 20.20 173.93 140.35 20.11 2 0 17.42-999 ?-999 ?-999 ? O4 CIT A1102 mARG^B 53 170.91 139.64 18.84 170.59 140.00 19.72 169.64 141.06 17.39 168.67 141.51 17.98 170.11 139.63 17.63 168.91 138.71 17.78 2 0 15.33-999 ?-999 ?-999 ? O1 CIT A1102 mSER.B 54 170.33 141.76 16.50 171.07 141.26 16.06 168.53 143.48 16.17 167.72 142.76 15.59 170.01 143.15 16.19 170.64 143.56 14.86 2 0 14.59-999 ?-999 ?-999 ? O5 CIT A1102 mPRO.B 55 168.15 144.58 16.82 168.92 145.06 17.24 166.39 145.70 15.60 165.20 145.84 15.30 166.77 145.06 16.91 166.84 146.11 18.02 3 0 16.53-999 ?-999 ?-999 ? O5 CIT A1102 mTYR.B 56 167.41 146.10 14.85 168.31 145.90 15.25 167.09 145.73 12.50 167.73 144.68 12.57 167.23 146.76 13.57 168.42 147.68 13.31 3 0 14.28-999 ?-999 ?-999 ? O5 CIT A1102 mTHR^B 57 166.24 146.01 11.52 165.82 146.91 11.57 166.35 145.53 9.06 166.63 146.70 8.85 165.99 145.04 10.45 164.53 144.64 10.44 2 0 11.53-999 ?-999 ?-999 ? O5 CIT A1102 mMETB 58 166.34 144.60 8.11 166.09 143.69 8.44 165.85 143.96 5.80 165.62 142.80 6.13 166.64 144.89 6.71 168.14 144.71 6.46 2 0 8.75-999 ?-999 ?-999 ? O5 CIT A1102 mGLU^B 59 165.42 144.49 4.65 165.67 145.45 4.52 165.67 143.04 2.76 166.59 143.70 2.27 164.67 143.69 3.68 163.73 144.57 2.83 2 0 8.40-999 ?-999 ?-999 ? O5 CIT A1102 mVAL^B 60 165.50 141.75 2.52 164.71 141.33 2.96 165.67 140.23 0.64 164.56 139.77 0.90 166.43 141.05 1.66 167.35 140.13 2.48 3 0 -5.35-999 ?-999 ?-999 ? O6 CIT A1102s mGLU^B 61 166.27 140.06 -0.53 167.16 140.50 -0.60 166.06 137.84 -1.47 167.25 137.51 -1.45 165.65 139.30 -1.59 166.08 139.85 -2.94 2 0 -5.07-999 ?-999 ?-999 ? O2 CIT A1102s mLYS^B 62 165.07 136.96 -1.40 164.16 137.36 -1.44 164.59 134.74 -2.36 163.43 135.01 -2.67 165.33 135.53 -1.27 164.88 135.06 0.12 2 0 4.09-999 ?-999 ?-999 ? O2 CIT A1102 mPRO^B 63 165.28 133.76 -2.96 166.22 133.64 -2.64 163.68 131.93 -3.44 163.62 131.73 -2.22 164.68 132.93 -4.01 165.90 132.24 -4.64 3 0 6.85-999 ?-999 ?-999 ? O2 CIT A1102 mVAL.B 64 162.89 131.31 -4.31 163.04 131.58 -5.26 161.67 129.28 -4.97 161.58 129.60 -6.16 161.89 130.34 -3.89 160.53 131.02 -3.59 3 0 10.07-999 ?-999 ?-999 ? O2 CIT A1102 mGLY.B 69 164.57 130.27 -11.24 164.52 129.31 -11.51 163.49 132.05 -9.95 162.97 131.20 -9.22 164.64 131.67 -10.87-999.99-999.99-999.99 1 0 12.69-999 ?-999 ?-999 ? O2 CIT A1102 mASN.B 70 163.09 133.32 -9.99 163.62 133.89 -10.63 162.33 133.93 -7.69 162.75 132.96 -7.07 161.99 133.82 -9.18 160.75 132.93 -9.37 2 0 11.97-999 ?-999 ?-999 ? O2 CIT A1102 mTHR^B 71 162.14 135.13 -7.13 161.78 135.82 -7.76 161.37 136.25 -5.06 160.39 136.65 -5.70 162.44 135.38 -5.72 163.79 136.11 -5.56 2 0 8.93-999 ?-999 ?-999 ? O2 CIT A1102 mGLU^B 72 161.56 136.54 -3.78 162.39 136.14 -3.39 161.27 137.97 -1.76 162.07 137.33 -1.09 160.63 137.38 -3.02 159.37 136.59 -2.66 2 0 9.16-999 ?-999 ?-999 ? O2 CIT A1102 mMETB 73 160.90 139.22 -1.46 160.24 139.60 -2.10 161.16 139.27 1.03 160.20 138.53 1.19 161.41 139.95 -0.30 160.83 141.36 -0.27 2 0 8.65-999 ?-999 ?-999 ? O2 CIT A1102 mVAL^B 74 162.02 139.57 2.00 162.72 140.23 1.73 162.63 139.89 4.33 163.67 140.48 4.02 161.92 138.99 3.33 162.60 137.59 3.34 3 0 7.92-999 ?-999 ?-999 ? O1 CIT A1102 mTHR^B 75 162.08 140.01 5.53 161.23 139.50 5.65 163.60 140.02 7.49 163.23 138.94 7.94 162.70 140.84 6.57 161.65 141.52 7.44 2 0 8.92-999 ?-999 ?-999 ? O1 CIT A1102 mARG^B 76 164.78 140.52 7.79 164.98 141.42 7.38 166.28 140.72 9.70 166.35 141.93 9.49 165.69 139.79 8.65 166.84 139.19 7.82 2 0 7.81-999 ?-999 ?-999 ? O1 CIT A1102 mASN^B 77 166.68 140.18 10.84 166.50 139.20 10.96 168.62 141.34 11.02 169.09 140.51 10.25 167.33 141.04 11.79 167.65 140.29 13.08 2 0 10.44-999 ?-999 ?-999 ? O1 CIT A1102 mGLN.B 78 169.17 142.54 11.18 168.69 143.16 11.81 171.55 141.94 10.79 172.40 141.71 9.94 170.38 142.88 10.47 170.78 144.32 10.76 2 0 9.08-999 ?-999 ?-999 ? O5 CIT A1102 mSER.B 79 171.59 141.38 12.00 170.86 141.64 12.62 172.47 139.66 13.62 171.75 140.07 14.54 172.67 140.46 12.34 173.99 141.21 12.45 2 0 10.08-999 ?-999 ?-999 ? O4 CIT A1102 mTHR^B 80 173.12 138.50 13.68 173.64 138.25 12.86 174.46 137.34 15.35 175.40 137.18 14.57 173.05 137.67 14.86 172.24 136.38 14.61 2 0 12.08-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 81 174.60 137.28 16.67 173.76 137.46 17.19 175.75 135.68 18.06 174.70 135.39 18.63 175.88 136.99 17.31 176.26 138.11 18.27 3 0 14.30-999 ?-999 ?-999 ? O4 CIT A1102 mILE^B 82 176.81 134.89 18.08 177.63 135.25 17.63 178.05 133.13 19.39 179.14 133.45 18.92 176.75 133.60 18.74 176.21 132.56 17.70 3 0 16.31-999 ?-999 ?-999 ? O4 CIT A1102 mTYR^B 83 177.92 132.38 20.49 176.97 132.27 20.78 179.06 130.34 20.77 178.09 129.64 20.99 179.06 131.79 21.20 178.84 131.81 22.72 3 0 19.47-999 ?-999 ?-999 ? O4 CIT A1102 mTYR^B 84 180.13 129.88 20.13 180.86 130.54 19.96 181.34 127.78 20.39 182.48 128.23 20.25 180.16 128.47 19.72 180.25 128.34 18.20 3 0 19.69-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 85 181.07 126.69 21.10 180.11 126.43 21.09 182.15 124.47 21.55 181.12 123.79 21.63 182.10 125.96 21.83 181.91 126.15 23.34 3 0 23.19-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 86 183.34 123.97 21.25 184.08 124.64 21.19 184.29 122.02 22.23 185.21 122.68 22.72 183.53 122.54 21.01 184.32 122.30 19.71 3 0 24.93-999 ?-999 ?-999 ? O4 CIT A1102 mTHR.B 87 183.89 120.86 22.75 183.12 120.44 22.26 184.83 118.78 23.69 184.21 118.14 22.85 184.52 120.26 23.93 183.61 120.37 25.15 2 0 28.75-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 88 185.79 118.21 24.45 186.23 118.80 25.13 184.93 115.82 24.33 185.04 114.67 23.90 186.10 116.80 24.23 187.22 116.53 25.25 3 0 31.69-999 ?-999 ?-999 ? O4 CIT A1102 mASP.B 89 183.81 116.28 24.88 183.84 117.23 25.17 181.69 115.68 23.84 180.70 114.97 23.67 182.64 115.42 25.01 181.93 115.70 26.33 2 0 32.19-999 ?-999 ?-999 ? O4 CIT A1102 mSER.B 90 182.01 116.70 23.05 182.86 117.15 23.34 182.22 117.94 21.08 182.12 119.16 20.99 181.23 117.12 21.89 180.07 118.01 22.35 2 0 28.59-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 91 183.20 117.27 20.47 183.14 116.28 20.62 184.05 118.14 18.19 185.01 118.49 17.50 184.27 117.87 19.67 185.40 116.89 19.86 3 0 27.42-999 ?-999 ?-999 ? O4 CIT A1102 mILE^B 92 182.85 117.97 17.68 182.12 117.72 18.31 181.54 119.07 15.83 180.41 118.93 16.30 182.69 118.18 16.25 182.53 116.82 15.52 3 0 24.74-999 ?-999 ?-999 ? O4 CIT A1102 mGLY^B 93 181.86 120.01 14.95 182.83 120.06 14.71 180.64 120.22 13.04 181.45 120.39 12.13 180.85 120.89 14.39-999.99-999.99-999.99 1 0 21.08-999 ?-999 ?-999 ? O4 CIT A1102 mLYS^B 94 179.57 119.44 12.93 178.99 119.41 13.75 178.85 119.50 10.50 178.07 120.43 10.60 179.28 118.69 11.71 178.24 117.60 12.02 2 0 21.35-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 95 179.38 119.12 9.34 180.00 118.33 9.43 177.74 120.40 7.90 176.72 119.76 8.18 179.11 119.77 8.05 179.32 118.78 6.91 3 0 19.08-999 ?-999 ?-999 ? O4 CIT A1102 mHIS^B 96 177.71 121.65 7.43 178.62 122.03 7.26 176.69 123.66 6.39 177.71 124.35 6.53 176.46 122.37 7.20 175.73 122.66 8.52 3 0 15.86-999 ?-999 ?-999 ? C2 CIT A1102 mLYS^B 97 175.73 123.94 5.51 174.98 123.28 5.54 174.96 126.23 5.18 174.29 126.08 6.19 175.75 125.08 4.60 175.09 124.68 3.28 2 0 12.35-999 ?-999 ?-999 ? C2 CIT A1102 mASN^B 98 175.03 127.37 4.51 175.62 127.34 3.70 174.24 129.55 3.78 175.26 129.92 3.20 174.29 128.54 4.93 174.94 129.17 6.18 2 0 8.96-999 ?-999 ?-999 ? C2 CIT A1102 mILE.B 99 173.03 129.97 3.43 172.28 129.58 3.97 173.78 132.10 2.43 174.30 132.54 1.42 172.83 130.91 2.34 171.36 131.43 2.31 3 0 -5.53-999 ?-999 ?-999 ? C2 CIT A1102s mASN.B 100 174.00 132.61 3.64 173.54 132.13 4.39 176.24 133.49 4.39 176.47 132.46 5.03 174.86 133.78 3.84 174.18 134.78 4.77 2 0 -4.09-999 ?-999 ?-999 ? C4 CIT A1102s mARG.B 101 177.15 134.43 4.16 176.81 135.20 3.63 178.53 134.49 6.13 177.72 135.22 6.68 178.52 134.34 4.63 179.37 135.45 4.02 2 0 -4.89-999 ?-999 ?-999 ? O4 CIT A1102s mILE^B 102 179.44 133.79 6.79 180.04 133.22 6.22 180.93 134.23 8.68 181.91 133.62 8.27 179.52 133.88 8.22 179.07 132.56 8.87 3 0 7.67-999 ?-999 ?-999 ? O4 CIT A1102 mILE^B 103 181.01 135.25 9.53 180.13 135.66 9.77 182.59 134.89 11.30 181.73 134.70 12.14 182.28 135.71 10.06 182.16 137.18 10.45 3 0 10.00-999 ?-999 ?-999 ? O4 CIT A1102 mHIS^B 104 183.80 134.37 11.40 184.41 134.57 10.63 185.33 134.27 13.32 186.28 134.73 12.69 184.17 133.59 12.59 184.58 132.16 12.21 3 0 13.59-999 ?-999 ?-999 ? O4 CIT A1102 mILE^B 105 185.26 134.35 14.65 184.43 133.97 15.06 186.81 134.08 16.55 186.05 133.78 17.48 186.34 134.97 15.40 185.94 136.36 15.97 3 0 15.13-999 ?-999 ?-999 ? N7 ADE A 500 mLEU^B 106 188.07 133.65 16.47 188.56 133.95 15.66 188.75 133.54 18.82 189.12 134.72 18.86 188.67 132.80 17.50 190.09 132.39 17.09 3 0 18.01-999 ?-999 ?-999 ? N7 ADE A 500 mGLN^B 107 188.41 132.85 19.91 188.13 131.91 19.74 189.33 132.68 22.20 190.19 133.23 22.88 188.47 133.46 21.23 187.05 133.66 21.78 2 0 18.84-999 ?-999 ?-999 ? N7 ADE A 500 mARG^B 108 189.11 131.38 22.27 188.38 131.02 21.68 190.09 129.17 22.61 189.33 128.73 21.74 189.90 130.57 23.17 189.25 130.50 24.55 2 0 22.51-999 ?-999 ?-999 ? N7 ADE A 500 mGLY^B 109 191.13 128.50 23.09 191.68 128.98 23.77 191.99 127.07 21.26 192.57 128.03 20.77 191.39 127.14 22.65-999.99-999.99-999.99 1 0 25.56-999 ?-999 ?-999 ? N7 ADE A 500 mLYS.B 110 191.83 125.92 20.64 191.32 125.23 21.16 191.42 124.75 18.58 190.71 123.96 19.20 192.36 125.68 19.31 193.75 125.03 19.40 2 0 25.97-999 ?-999 ?-999 ? N7 ADE A 500 mGLY^B 111 191.40 124.84 17.26 192.02 125.51 16.86 190.92 123.91 15.06 191.88 124.55 14.64 190.52 123.97 16.51-999.99-999.99-999.99 1 0 24.48-999 ?-999 ?-999 ? O4 CIT A1102 mGLN^B 112 190.17 123.13 14.30 189.41 122.68 14.76 189.16 122.97 12.10 188.15 122.43 12.55 190.46 122.98 12.89 191.24 121.68 12.69 2 0 23.27-999 ?-999 ?-999 ? O4 CIT A1102 mTYR^B 113 189.18 123.59 10.93 190.06 124.01 10.68 188.23 122.87 8.81 189.35 122.76 8.34 188.00 123.64 10.09 187.64 125.09 9.76 3 0 20.18-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 114 187.15 122.32 8.26 186.31 122.47 8.77 186.05 122.06 6.15 184.88 121.89 6.50 187.20 121.57 7.01 187.05 120.06 7.27 3 0 20.42-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 115 186.39 122.71 5.04 187.37 122.78 4.89 185.32 122.45 2.85 186.32 121.87 2.41 185.39 123.26 4.13 185.73 124.71 3.76 3 0 17.64-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 116 184.14 122.43 2.24 183.43 122.94 2.72 183.10 122.58 0.06 181.88 122.72 0.21 183.91 121.70 1.00 183.15 120.38 1.27 3 0 18.30-999 ?-999 ?-999 ? O4 CIT A1102 mTYR.B 117 183.80 123.19 -0.90 184.78 122.98 -0.88 182.46 123.25 -2.96 182.94 122.20 -3.38 183.18 124.07 -1.89 184.24 124.93 -2.57 3 0 16.51-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 118 181.30 123.75 -3.43 181.05 124.63 -3.02 181.26 122.55 -5.66 180.73 121.78 -6.45 180.49 123.08 -4.45 179.46 124.15 -4.82 3 0 16.76-999 ?-999 ?-999 ? C2 CIT A1102 mASP.B 119 182.52 122.97 -5.80 182.84 123.60 -5.09 183.97 121.18 -6.55 184.62 120.53 -7.38 183.33 122.51 -6.92 184.41 123.54 -7.24 2 0 19.38-999 ?-999 ?-999 ? O7 CIT A1102 mGLY.B 120 183.78 120.76 -5.30 183.21 121.37 -4.74 185.63 119.85 -4.04 186.12 119.05 -3.24 184.36 119.52 -4.81-999.99-999.99-999.99 1 0 21.76-999 ?-999 ?-999 ? O7 CIT A1102 mGLN.B 121 186.15 121.04 -4.30 185.62 121.56 -4.98 187.21 121.49 -2.14 186.17 121.87 -1.59 187.35 121.56 -3.67 187.55 123.01 -4.12 2 0 21.21-999 ?-999 ?-999 ? O4 CIT A1102 mVAL.B 122 188.25 121.00 -1.46 189.03 120.74 -2.02 189.39 121.45 0.75 190.45 120.82 0.83 188.20 120.86 -0.01 188.07 119.38 0.41 3 0 21.41-999 ?-999 ?-999 ? O4 CIT A1102 mLYS.B 123 189.22 122.64 1.32 188.33 123.06 1.18 190.13 122.98 3.56 189.02 122.73 4.03 190.30 123.24 2.08 190.40 124.75 1.81 2 0 20.81-999 ?-999 ?-999 ? O4 CIT A1102 mSER^B 124 191.24 123.02 4.29 192.07 123.22 3.77 192.34 123.57 6.40 193.49 123.53 5.96 191.23 122.78 5.73 191.41 121.29 6.01 2 0 21.94-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 125 192.00 124.29 7.46 191.04 124.22 7.72 192.80 125.04 9.67 191.77 124.58 10.16 192.99 125.10 8.16 192.89 126.54 7.67 3 0 22.24-999 ?-999 ?-999 ? O4 CIT A1102 mLYS^B 126 193.80 125.50 10.41 194.58 125.86 9.89 193.46 126.84 12.45 193.97 127.85 11.98 193.73 125.48 11.85 195.02 124.92 12.43 2 0 23.73-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 127 192.65 126.85 13.50 192.30 125.95 13.77 193.12 128.11 15.49 193.09 127.15 16.27 192.32 128.08 14.19 190.82 128.14 14.53 3 0 22.42-999 ?-999 ?-999 ? O4 CIT A1102 mGLY.B 128 193.86 129.19 15.70 193.80 129.89 14.99 195.36 130.68 16.81 195.24 131.35 15.79 194.68 129.33 16.90-999.99-999.99-999.99 1 0 22.81-999 ?-999 ?-999 ? N7 ADE A 500 mPHE.B 129 196.07 131.11 17.85 196.11 130.50 18.64 198.16 132.38 17.33 198.80 133.42 17.19 196.71 132.42 17.77 196.61 133.15 19.11 3 0 21.31-999 ?-999 ?-999 ? N7 ADE A 500 mASP~B 130 198.67 131.17 17.11 198.03 130.42 17.27 200.06 131.05 15.15 200.16 130.03 14.47 200.05 130.98 16.68 200.55 129.62 17.17 2 0 24.02-999 ?-999 ?-999 ? N6 ADE A 500 mTYR~B 131 199.94 132.27 14.64 199.88 132.99 15.33 201.21 132.26 12.49 201.25 132.07 11.28 199.89 132.53 13.20 199.46 133.98 12.95 3 0 21.88-999 ?-999 ?-999 ? N6 ADE A 500 mLYS~B 132 202.29 132.24 13.25 202.14 132.40 14.22 203.63 130.52 12.21 204.65 130.03 11.73 203.58 131.98 12.65 204.70 132.29 13.65 2 0 24.64-999 ?-999 ?-999 ? N6 ADE A 500 mASN~B 133 202.50 129.83 12.37 201.76 130.35 12.78 201.11 128.17 11.19 200.53 127.08 11.25 202.38 128.42 11.99 202.41 127.52 13.21 2 0 26.42-999 ?-999 ?-999 ? N6 ADE A 500 mGLY~B 134 200.68 129.19 10.46 201.23 130.03 10.53 198.15 129.06 10.35 197.13 128.94 9.69 199.49 129.07 9.64-999.99-999.99-999.99 1 0 24.07-999 ?-999 ?-999 ? N6 ADE A 500 mGLU.B 135 198.14 129.18 11.68 199.04 129.25 12.11 196.18 130.52 12.15 196.83 131.56 12.09 196.87 129.19 12.40 197.10 129.01 13.90 2 0 22.86-999 ?-999 ?-999 ? N6 ADE A 500 mVAL.B 136 194.86 130.49 12.02 194.45 129.58 12.09 193.21 132.01 12.96 192.67 131.09 13.57 194.13 131.72 11.77 193.29 131.60 10.49 3 0 19.32-999 ?-999 ?-999 ? N6 ADE A 500 mSER.B 137 193.05 133.29 13.28 193.54 133.93 12.68 190.87 134.31 13.99 190.04 134.63 14.85 192.22 133.71 14.40 192.98 134.71 15.28 2 0 17.38-999 ?-999 ?-999 ? N6 ADE A 500 mGLN^B 138 190.66 134.49 12.70 191.43 134.25 12.11 189.23 134.59 10.76 190.15 134.70 9.96 189.40 135.01 12.22 189.32 136.53 12.41 2 0 14.83-999 ?-999 ?-999 ? N6 ADE A 500 mTRP^B 139 188.06 134.07 10.42 187.38 134.04 11.15 186.37 133.70 8.61 185.43 133.49 9.39 187.82 133.58 9.07 188.28 132.12 8.99 3 0 14.38-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 140 186.20 134.04 7.34 187.06 134.18 6.84 184.58 133.04 5.75 185.34 132.82 4.81 184.88 134.18 6.72 184.78 135.49 5.94 3 0 10.73-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 141 183.50 132.30 5.99 182.98 132.58 6.80 182.00 131.69 4.20 180.94 132.09 4.65 183.12 131.20 5.11 182.65 129.97 5.92 3 0 10.32-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 142 182.24 131.65 2.88 183.14 131.30 2.64 179.98 131.30 1.98 180.02 130.09 2.17 181.25 132.10 1.89 181.97 131.86 0.56 3 0 8.20-999 ?-999 ?-999 ? O4 CIT A1102 mGLY.B 143 178.84 131.97 1.84 178.92 132.96 1.71 177.70 130.21 0.79 178.46 130.40 -0.16 177.58 131.25 1.88-999.99-999.99-999.99 1 0 6.99-999 ?-999 ?-999 ? O4 CIT A1102 mGLY.B 144 176.97 129.11 0.91 176.41 129.05 1.73 178.02 126.99 0.17 177.83 125.86 -0.25 177.04 128.09 -0.12-999.99-999.99-999.99 1 0 9.82-999 ?-999 ?-999 ? C2 CIT A1102 mVAL.B 145 179.09 127.32 0.90 179.12 128.28 1.17 179.72 125.54 2.50 179.14 126.09 3.44 180.11 126.34 1.26 181.44 127.03 1.53 3 0 12.50-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 146 180.03 124.25 2.49 180.48 123.94 1.65 180.88 123.46 4.58 182.04 123.28 4.19 179.73 123.38 3.61 179.56 121.94 3.15 3 0 15.06-999 ?-999 ?-999 ? O4 CIT A1102 mLYS^B 147 180.59 123.70 5.85 179.62 123.81 6.06 181.51 122.84 7.99 180.42 122.64 8.52 181.66 123.79 6.82 181.79 125.23 7.36 2 0 15.79-999 ?-999 ?-999 ? O4 CIT A1102 mALA^B 148 182.62 122.25 8.38 183.43 122.47 7.84 183.82 121.81 10.36 184.77 122.38 9.84 182.64 121.34 9.52 182.83 119.91 9.05 2 0 19.10-999 ?-999 ?-999 ? O4 CIT A1102 mSER^B 149 183.77 121.59 11.67 182.94 121.15 12.00 185.06 120.96 13.61 184.10 120.26 13.95 184.89 121.99 12.52 184.65 123.38 13.14 2 0 20.71-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 150 186.27 120.82 14.13 186.98 121.40 13.73 187.55 120.37 16.17 188.43 121.16 15.81 186.50 119.86 15.20 186.89 118.48 14.65 3 0 24.33-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 151 187.44 119.91 17.41 186.69 119.27 17.52 189.79 119.86 18.34 190.07 118.83 17.74 188.33 120.30 18.51 187.74 119.73 19.81 3 0 26.67-999 ?-999 ?-999 ? O4 CIT A1102 mLEU.B 152 190.71 120.67 18.86 190.34 121.49 19.28 192.69 120.43 20.20 192.63 121.48 20.84 192.13 120.34 18.80 192.92 121.31 17.92 3 0 28.83-999 ?-999 ?-999 ? O4 CIT A1102 mPRO.B 153 193.25 119.32 20.71 193.25 118.52 20.11 194.68 120.56 22.27 195.47 120.91 21.40 193.80 119.35 22.06 194.57 118.03 22.14 3 0 32.23-999 ?-999 ?-999 ? O4 CIT A1102 mASN.B 154 194.52 121.21 23.41 193.82 120.80 24.01 195.17 122.57 25.27 194.24 122.08 25.89 195.28 122.39 23.77 194.71 123.63 23.05 2 0 31.23-999 ?-999 ?-999 ? N7 ADE A 500 mGLU.B 155 196.13 123.28 25.87 196.82 123.64 25.24 195.55 124.83 27.74 194.88 124.93 28.77 196.14 123.50 27.32 197.56 123.40 27.86 2 0 32.07-999 ?-999 ?-999 ? N7 ADE A 500 mGLU.B 156 195.84 125.87 26.96 196.41 125.64 26.17 193.89 127.21 27.69 193.54 127.88 28.66 195.35 127.21 27.23 195.48 128.07 25.98 2 0 28.80-999 ?-999 ?-999 ? N7 ADE A 500 mPHE.B 157 193.06 126.47 26.98 193.48 125.95 26.24 191.12 125.03 27.60 190.06 124.62 27.13 191.64 126.43 27.28 190.87 127.03 26.10 3 0 28.42-999 ?-999 ?-999 ? N7 ADE A 500 mASP.B 158 191.89 124.29 28.40 192.74 124.74 28.67 190.79 122.13 27.75 189.71 121.60 27.97 191.49 122.96 28.83 190.60 123.10 30.08 2 0 32.08-999 ?-999 ?-999 ? N7 ADE A 500 mASN.B 159 191.40 122.03 26.58 192.27 122.51 26.52 189.45 121.74 25.06 188.56 120.93 24.74 190.83 121.25 25.48 190.73 119.78 25.86 2 0 31.84-999 ?-999 ?-999 ? O4 CIT A1102 mGLY.B 160 189.26 123.05 25.05 190.05 123.60 25.36 188.29 124.42 23.39 189.44 124.68 23.06 188.00 123.61 24.63-999.99-999.99-999.99 1 0 28.72-999 ?-999 ?-999 ? O4 CIT A1102 mPHE^B 161 187.25 124.82 22.68 186.36 124.53 23.03 186.26 126.58 21.42 185.13 126.19 21.11 187.43 125.63 21.49 187.47 124.73 20.25 3 0 25.14-999 ?-999 ?-999 ? O4 CIT A1102 mLEU^B 162 186.52 127.85 21.71 187.48 128.04 21.91 185.63 129.98 20.71 186.67 130.66 20.65 185.46 128.85 21.73 185.36 129.41 23.16 3 0 22.97-999 ?-999 ?-999 ? N7 ADE A 500 mILE^B 163 184.60 130.18 19.91 183.83 129.55 20.06 183.27 131.96 18.96 182.36 131.58 19.69 184.60 131.23 18.90 184.73 130.66 17.46 3 0 19.45-999 ?-999 ?-999 ? O4 CIT A1102 mSER^B 164 183.19 133.03 18.16 184.04 133.23 17.68 181.70 133.84 16.51 182.62 133.85 15.70 181.99 133.83 18.01 182.19 135.25 18.52 2 0 16.81-999 ?-999 ?-999 ? O4 CIT A1102 mGLU^B 165 180.42 133.82 16.16 179.79 133.79 16.93 179.02 134.95 14.51 178.03 135.09 15.25 180.00 133.82 14.77 179.30 132.52 14.43 2 0 13.20-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 166 179.26 135.75 13.48 180.11 135.56 12.99 177.75 136.52 11.75 178.49 136.27 10.79 178.33 136.80 13.13 178.99 138.19 13.13 3 0 10.54-999 ?-999 ?-999 ? O4 CIT A1102 mVAL^B 167 176.43 136.54 11.66 175.96 136.75 12.53 174.94 137.54 10.06 174.20 138.06 10.90 175.73 136.30 10.41 174.74 135.13 10.55 3 0 7.54-999 ?-999 ?-999 ? O4 CIT A1102 mVAL.B 168 175.09 138.03 8.84 175.72 137.50 8.26 174.02 139.05 6.93 174.90 138.91 6.07 174.39 139.22 8.40 175.28 140.49 8.59 3 0 -5.65-999 ?-999 ?-999 ? O4 CIT A1102s mPRO.B 169 172.71 139.05 6.61 172.59 138.93 5.62 171.55 138.20 8.64 172.20 137.15 8.57 171.56 139.20 7.50 170.38 138.98 6.56 3 0 -5.29-999 ?-999 ?-999 ? O5 CIT A1102s mGLY.B 170 170.80 138.55 9.69 170.33 139.43 9.59 170.15 136.32 10.54 169.30 136.15 9.67 170.68 137.70 10.86-999.99-999.99-999.99 1 0 8.41-999 ?-999 ?-999 ? O1 CIT A1102 mPHE.B 171 170.68 135.33 11.26 171.34 135.63 11.94 168.82 133.62 11.06 168.08 134.06 11.92 170.31 133.94 11.06 170.96 133.06 12.12 3 0 8.82-999 ?-999 ?-999 ? O1 CIT A1102 mASP~B 172 168.41 132.82 10.08 169.14 132.57 9.44 167.17 130.90 9.53 168.09 130.55 8.78 167.04 132.36 9.95 166.30 133.15 8.87 2 0 8.68-999 ?-999 ?-999 ? O1 CIT A1102 mPHE~B 173 166.28 130.05 10.01 165.57 130.46 10.59 166.25 128.28 8.20 166.71 127.22 7.78 166.35 128.63 9.69 165.29 127.86 10.48 3 0 10.94-999 ?-999 ?-999 ? O1 CIT A1102 mGLU~B 174 165.64 129.15 7.40 165.27 129.97 7.84 166.97 128.93 5.40 167.27 128.27 4.40 165.56 128.85 5.98 164.66 129.86 5.28 2 0 9.12-999 ?-999 ?-999 ? O1 CIT A1102 mASP.B 175 167.82 129.73 6.03 167.44 130.18 6.83 170.08 128.71 5.92 171.22 128.63 5.49 169.20 129.90 5.58 169.82 131.15 6.22 2 0 7.16-999 ?-999 ?-999 ? O1 CIT A1102 mHIS^B 176 169.54 127.78 6.69 168.58 127.94 6.93 169.93 125.29 6.48 168.76 125.06 6.14 170.31 126.62 7.14 170.17 126.49 8.66 3 0 10.83-999 ?-999 ?-999 ? O1 CIT A1102 mTHR^B 177 170.93 124.43 6.32 171.81 124.79 6.63 172.01 122.33 6.16 173.06 122.93 6.35 170.76 123.10 5.75 170.67 123.12 4.20 2 0 13.75-999 ?-999 ?-999 ? O1 CIT A1102 mPHE.B 178 171.89 121.01 6.31 170.98 120.65 6.13 173.05 118.87 5.97 172.20 118.01 6.20 173.04 120.20 6.72 173.02 119.97 8.24 3 0 16.97-999 ?-999 ?-999 ? C2 CIT A1102 mLEU.B 179 174.03 118.69 5.08 174.67 119.46 5.01 174.04 116.22 5.16 174.57 116.18 6.28 174.13 117.47 4.29 175.42 117.47 3.45 3 0 19.10-999 ?-999 ?-999 ? C2 CIT A1102 mLYS.B 180 173.36 115.20 4.64 173.01 115.38 3.72 174.09 112.81 4.92 174.52 112.75 3.76 173.15 113.94 5.34 171.71 113.46 5.16 2 0 22.65-999 ?-999 ?-999 ? C2 CIT A1102 mGLY.B 181 174.39 111.93 5.87 173.97 112.11 6.76 176.48 111.13 4.76 176.86 112.30 4.64 175.27 110.79 5.61-999.99-999.99-999.99 1 0 26.00-999 ?-999 ?-999 ? C2 CIT A1102 mGLU~B 182 177.08 110.11 4.16 176.67 109.21 4.34 177.84 110.29 1.83 178.62 110.67 0.96 178.24 110.32 3.31 179.32 109.27 3.59 2 0 26.75-999 ?-999 ?-999 ? C2 CIT A1102 mASP~B 183 176.62 109.83 1.56 176.09 109.55 2.36 176.26 111.11 -0.49 176.85 111.23 -1.57 176.12 109.75 0.19 174.65 109.33 0.17 2 0 26.77-999 ?-999 ?-999 ? C2 CIT A1102 mGLU~B 184 175.70 112.13 0.16 175.25 111.88 1.02 177.21 113.95 -0.31 177.64 114.77 -1.13 175.76 113.48 -0.36 174.87 114.41 0.46 2 0 23.07-999 ?-999 ?-999 ? C2 CIT A1102 mLEU~B 185 177.97 113.42 0.64 177.50 112.76 1.23 180.16 113.23 -0.41 181.13 113.85 -0.86 179.38 113.78 0.78 179.94 113.22 2.09 3 0 23.68-999 ?-999 ?-999 ? C2 CIT A1102 mLYS~B 186 179.74 112.07 -0.91 178.95 111.69 -0.44 180.19 112.23 -3.34 181.14 112.45 -4.10 180.39 111.43 -2.06 179.84 110.02 -2.28 2 0 26.42-999 ?-999 ?-999 ? C2 CIT A1102 mHIS~B 187 178.96 112.65 -3.59 178.28 112.39 -2.90 179.09 114.89 -4.59 178.48 115.82 -5.13 178.65 113.44 -4.78 177.16 113.36 -5.10 3 0 24.48-999 ?-999 ?-999 ? C2 CIT A1102 mLEU.B 188 180.15 115.06 -3.81 180.51 114.21 -3.43 182.25 116.20 -3.48 183.01 117.13 -3.73 180.75 116.37 -3.53 180.24 116.94 -2.21 3 0 22.28-999 ?-999 ?-999 ? C2 CIT A1102 mVAL.B 189 182.68 114.99 -3.14 181.95 114.33 -2.95 184.24 113.17 -3.38 183.32 112.39 -3.13 184.10 114.66 -3.06 184.67 114.91 -1.65 3 0 25.22-999 ?-999 ?-999 ? C2 CIT A1102 mGLY~B 190 185.38 112.78 -3.93 186.06 113.50 -4.09 185.13 110.52 -3.09 185.43 110.84 -1.94 185.59 111.38 -4.25-999.99-999.99-999.99 1 0 28.95-999 ?-999 ?-999 ? C2 CIT A1102 mPRO~B 191 184.39 109.43 -3.34 184.20 109.27 -4.31 185.07 108.15 -1.35 184.87 107.69 -0.22 183.92 108.56 -2.26 183.31 107.38 -3.01 3 0 30.40-999 ?-999 ?-999 ? C2 CIT A1102 mGLU~B 192 186.28 108.33 -1.87 186.26 108.70 -2.80 187.85 109.14 -0.19 187.86 108.92 1.03 187.51 108.02 -1.17 188.63 107.87 -2.20 2 0 32.41-999 ?-999 ?-999 ? O4 CIT A1102 mLYS~B 193 188.13 110.33 -0.72 188.09 110.34 -1.72 187.33 111.73 1.10 187.56 112.29 2.17 188.45 111.50 0.09 188.61 112.73 -0.81 2 0 29.49-999 ?-999 ?-999 ? O4 CIT A1102 mALA~B 194 186.13 111.28 0.74 186.11 110.86 -0.16 185.13 110.54 2.83 184.86 110.97 3.96 184.96 111.42 1.60 183.70 111.01 0.84 2 0 28.09-999 ?-999 ?-999 ? O4 CIT A1102 mALA~B 195 185.57 109.30 2.62 185.73 109.08 1.65 186.55 109.03 4.84 186.19 108.90 6.01 185.78 108.35 3.71 186.55 107.14 3.21 2 0 31.22-999 ?-999 ?-999 ? O4 CIT A1102 mGLU~B 196 187.61 109.75 4.48 187.79 109.76 3.50 187.60 111.53 6.19 187.68 111.66 7.41 188.42 110.46 5.46 189.62 111.11 4.77 2 0 30.36-999 ?-999 ?-999 ? O4 CIT A1102 mLEU~B 197 186.80 112.28 5.43 186.83 112.05 4.45 184.60 112.79 6.38 183.59 113.44 6.11 185.97 113.33 5.99 185.76 114.46 4.97 3 0 26.80-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 198 184.58 111.62 7.00 185.48 111.22 7.16 182.85 111.38 8.81 181.65 111.56 9.05 183.32 111.00 7.40 183.44 109.49 7.28 2 0 28.28-999 ?-999 ?-999 ? O4 CIT A1102 mPHE.B 199 183.80 111.49 9.74 184.73 111.32 9.41 182.83 113.20 11.27 182.33 113.55 12.35 183.48 111.83 11.12 184.75 111.77 11.98 3 0 28.37-999 ?-999 ?-999 ? O4 CIT A1102 mLEU.B 200 182.82 113.97 10.20 183.24 113.57 9.39 180.87 115.29 9.56 180.27 116.34 9.34 182.23 115.30 10.23 183.15 116.29 9.52 3 0 24.58-999 ?-999 ?-999 ? O4 CIT A1102 mALA.B 201 180.37 114.11 9.24 180.95 113.33 9.49 177.99 113.42 9.48 177.78 113.90 10.59 179.08 113.99 8.58 179.23 113.12 7.33 2 0 24.58-999 ?-999 ?-999 ? C2 CIT A1102 mHIS.B 202 177.29 112.41 8.97 177.58 112.16 8.05 176.31 111.86 11.22 176.95 110.99 11.85 176.21 111.73 9.69 176.20 110.25 9.29 3 0 26.29-999 ?-999 ?-999 ? C2 CIT A1102 mALA.C 9 176.99 128.73 44.05 176.48 128.13 44.66 177.22 131.05 43.22 176.20 131.37 42.61 177.77 129.63 43.13 177.69 129.10 41.68 2 0 27.81-999 ?-999 ?-999 ? O1 GOL C1901 mASN.C 10 177.93 131.90 43.97 178.73 131.48 44.39 176.20 133.47 44.85 175.31 132.65 44.66 177.57 133.30 44.18 177.62 134.05 42.85 2 0 28.96-999 ?-999 ?-999 ? O1 GOL C1901 mALA.C 11 176.04 134.52 45.65 176.84 135.11 45.71 174.67 133.85 47.53 174.20 132.71 47.41 174.78 134.78 46.35 173.59 134.60 45.42 2 0 27.78-999 ?-999 ?-999 ? O1 GOL C1901 mALA.C 12 175.11 134.33 48.69 175.45 135.27 48.64 173.70 133.11 50.28 172.72 133.77 49.94 175.10 133.55 49.92 175.68 134.37 51.04 2 0 29.01-999 ?-999 ?-999 ? O1 GOL C1901 mILE.C 13 173.59 131.99 50.97 174.45 131.53 51.17 172.12 131.76 52.88 172.65 131.04 53.71 172.29 131.50 51.38 172.15 129.99 51.08 3 0 26.82-999 ?-999 ?-999 ? O1 GOL C1901 mGLU.C 14 171.36 132.80 53.21 170.96 133.29 52.43 169.67 133.41 54.83 169.23 134.55 54.98 171.15 133.16 54.59 171.95 134.42 54.88 2 0 28.45-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.C 15 168.87 132.33 54.88 169.38 131.48 54.75 166.98 133.23 56.26 167.71 133.36 57.24 167.42 132.37 55.08 167.08 130.90 55.32 3 0 26.03-999 ?-999 ?-999 ? C1 GOL C1901 mALA~C 16 165.79 133.81 56.15 165.32 133.65 55.28 164.63 133.65 58.24 164.63 132.44 58.03 165.24 134.62 57.23 164.18 135.57 56.71 2 0 27.17-999 ?-999 ?-999 ? O3 GOL C1901 mSER~C 17 164.11 134.19 59.33 164.15 135.19 59.37 162.30 132.58 59.92 162.14 131.41 60.28 163.51 133.37 60.38 163.13 134.25 61.55 2 0 27.78-999 ?-999 ?-999 ? O3 GOL C1901 mPHE~C 18 161.44 133.21 59.12 161.68 134.15 58.90 160.52 131.48 57.58 159.67 130.66 57.27 160.24 132.54 58.64 159.22 133.55 58.11 3 0 24.60-999 ?-999 ?-999 ? O3 GOL C1901 mVAL~C 19 161.73 131.49 57.04 162.33 132.21 57.39 162.50 129.25 56.76 162.25 128.14 56.29 162.12 130.52 56.04 163.33 131.02 55.24 3 0 22.60-999 ?-999 ?-999 ? O3 GOL C1901 mLYS~C 20 163.10 129.43 57.93 163.23 130.38 58.18 162.35 127.77 59.53 162.08 126.58 59.53 163.54 128.31 58.75 164.64 128.79 59.70 2 0 24.50-999 ?-999 ?-999 ? O3 GOL C1901 mVAL~C 21 161.65 128.66 60.22 161.99 129.60 60.14 159.32 129.07 60.42 159.04 130.18 60.85 160.48 128.28 60.99 160.66 128.65 62.48 3 0 24.81-999 ?-999 ?-999 ? O3 GOL C1901 mPRO.C 22 158.64 128.50 59.41 158.97 127.60 59.14 156.37 129.55 59.71 156.16 128.90 60.73 157.50 129.17 58.78 157.05 128.17 57.72 3 0 22.12-999 ?-999 ?-999 ? O3 GOL C1901 mMETC 23 155.66 130.61 59.36 155.96 131.06 58.52 153.43 130.05 60.00 153.40 129.30 59.03 154.53 131.07 60.16 154.06 132.44 59.67 2 0 23.37-999 ?-999 ?-999 ? O3 GOL C1901 mPRO.C 24 152.49 130.01 60.95 152.61 130.67 61.70 150.39 129.34 59.75 149.89 128.43 59.10 151.40 129.04 60.86 150.78 129.09 62.26 3 0 22.72-999 ?-999 ?-999 ? O3 GOL C1901 mGLU.C 25 150.09 130.62 59.52 150.57 131.27 60.12 149.61 132.30 57.76 150.20 133.19 58.37 149.15 131.02 58.48 147.76 131.24 59.07 2 0 21.47-999 ?-999 ?-999 ? O3 GOL C1901 mPRO.C 26 149.33 132.40 56.46 148.83 131.62 56.07 149.13 134.88 56.24 147.99 134.90 56.68 149.73 133.59 55.70 149.25 133.28 54.29 3 0 20.70-999 ?-999 ?-999 ? O3 GOL C1901 mPRO~C 27 149.91 135.96 56.23 150.84 135.84 55.87 148.13 137.63 55.93 148.05 137.36 54.73 149.38 137.23 56.73 150.56 138.20 56.55 3 0 23.95-999 ?-999 ?-999 ? O3 GOL C1901 mSER~C 28 147.17 138.26 56.59 147.39 138.43 57.55 146.02 139.10 54.52 145.31 138.59 53.66 145.92 138.67 55.97 145.29 139.79 56.78 2 0 24.84-999 ?-999 ?-999 ? O3 GOL C1901 mSER~C 29 146.90 140.06 54.27 147.40 140.38 55.07 147.20 139.45 51.92 146.49 139.44 50.92 147.11 140.58 52.92 148.41 141.39 52.89 2 0 24.30-999 ?-999 ?-999 ? O1 GOL C1901 mLEU~C 30 148.07 138.48 52.22 148.55 138.62 53.08 147.21 136.24 51.37 147.03 135.52 50.38 148.29 137.34 51.34 149.67 136.76 51.63 3 0 20.71-999 ?-999 ?-999 ? O3 GOL C1901 mGLN~C 31 146.49 136.12 52.48 146.75 136.74 53.21 144.38 135.49 51.56 143.88 134.63 50.83 145.43 135.13 52.60 144.78 135.19 53.98 2 0 20.14-999 ?-999 ?-999 ? O3 GOL C1901 mGLN~C 32 144.04 136.78 51.52 144.53 137.36 52.18 143.45 136.90 49.17 142.66 136.30 48.45 143.06 137.29 50.58 142.97 138.81 50.65 2 0 21.37-999 ?-999 ?-999 ? O3 GOL C1901 mLEU~C 33 144.67 137.27 48.79 145.20 137.76 49.48 144.95 135.48 47.18 144.39 135.11 46.15 145.16 136.96 47.46 146.64 137.29 47.35 3 0 18.70-999 ?-999 ?-999 ? O1 GOL C1901 mILE~C 34 145.38 134.63 48.11 145.82 135.07 48.90 143.75 132.83 47.74 143.40 132.16 46.76 145.23 133.19 47.96 145.79 132.46 49.20 3 0 16.07-999 ?-999 ?-999 ? O3 GOL C1901 mASN~C 35 142.89 133.29 48.65 143.31 133.82 49.39 140.85 133.59 47.26 140.13 132.89 46.55 141.46 133.02 48.54 140.68 133.60 49.75 2 0 17.72-999 ?-999 ?-999 ? O3 GOL C1901 mASP~C 36 141.13 134.85 46.96 141.75 135.30 47.60 140.96 134.86 44.44 140.10 134.62 43.60 140.57 135.50 45.78 140.93 137.00 45.78 2 0 18.91-999 ?-999 ?-999 ? O1 GOL C1901 mTRP~C 37 142.25 134.60 44.25 142.84 134.84 45.02 142.53 132.51 43.01 142.68 131.86 41.98 142.74 134.01 43.01 144.22 134.33 42.83 3 0 15.39-999 ?-999 ?-999 ? O1 GOL C1901 mGLN~C 38 142.17 131.97 44.16 142.07 132.63 44.90 143.25 129.73 44.07 143.28 128.76 43.31 141.95 130.53 44.32 140.81 130.07 43.40 2 0 13.88-999 ?-999 ?-999 ? C3 GOL C1901 mLEU.C 39 144.32 130.15 44.74 144.15 130.96 45.31 145.62 128.36 45.62 145.19 128.51 46.76 145.60 129.50 44.63 146.73 130.48 44.97 3 0 11.39-999 ?-999 ?-999 ? O3 GOL C1901 mILE^C 40 146.13 127.22 45.18 146.47 127.27 44.24 147.64 125.80 46.40 148.56 126.20 45.68 146.21 126.01 45.99 145.73 124.81 45.15 3 0 9.25-999 ?-999 ?-999 ? O3 GOL C1901 mLYS^C 41 147.84 125.18 47.56 147.00 124.93 48.04 149.82 123.85 47.13 149.21 122.84 46.81 149.18 124.89 48.07 149.05 124.34 49.49 2 0 9.41-999 ?-999 ?-999 ? O3 GOL C1901 mHIS.C 42 151.05 124.11 46.69 151.45 124.96 47.03 152.40 122.04 46.52 152.88 122.22 47.62 151.72 123.18 45.78 152.76 123.92 44.95 3 0 6.74-999 ?-999 ?-999 ? O3 GOL C1901 mARG.C 43 152.44 120.88 45.88 152.02 120.89 44.98 154.48 120.00 46.93 154.97 119.45 47.91 153.06 119.70 46.49 153.08 118.52 45.50 2 0 7.14-999 ?-999 ?-999 ? O3 GOL C1901 mGLU.C 44 155.13 120.88 46.18 154.59 121.26 45.43 156.68 122.50 47.28 157.81 122.98 47.45 156.52 121.25 46.43 157.24 121.45 45.09 2 0 9.17-999 ?-999 ?-999 ? O3 GOL C1901 mGLY.C 45 155.58 123.03 47.80 154.73 122.55 47.58 155.20 125.47 47.89 155.35 125.58 46.68 155.66 124.22 48.62-999.99-999.99-999.99 1 0 11.06-999 ?-999 ?-999 ? O3 GOL C1901 mGLY.C 46 154.64 126.41 48.64 154.59 126.21 49.62 152.73 127.46 47.53 152.12 126.41 47.74 154.15 127.64 48.04-999.99-999.99-999.99 1 0 11.75-999 ?-999 ?-999 ? O3 GOL C1901 mTYR^C 47 152.19 128.48 46.86 152.80 129.27 46.77 150.87 128.63 44.82 151.67 129.41 44.32 150.84 128.41 46.32 149.93 129.48 46.95 3 0 10.47-999 ?-999 ?-999 ? O3 GOL C1901 mPHE^C 48 150.00 127.95 44.10 149.37 127.36 44.60 148.63 128.03 42.03 147.62 127.90 42.71 150.00 128.10 42.66 150.88 127.04 42.02 3 0 -7.99-999 ?-999 ?-999 ? O1 GOL C1901s mLYS^C 49 148.62 128.12 40.71 149.53 128.24 40.30 147.83 128.10 38.48 148.60 128.97 38.10 147.41 128.03 39.92 146.49 129.20 40.22 2 0 7.21-999 ?-999 ?-999 ? O1 GOL C1901 mGLU^C 50 147.32 127.17 37.68 146.73 126.51 38.15 146.66 128.16 35.66 145.45 127.97 35.69 147.62 127.14 36.26 147.34 125.75 35.72 2 0 -5.62-999 ?-999 ?-999 ? O1 GOL C1901s mTHR^C 51 147.19 129.25 35.13 148.19 129.27 35.14 146.04 130.14 33.12 144.99 130.58 32.65 146.36 130.30 34.58 147.04 131.63 34.74 2 0 9.07-999 ?-999 ?-999 ? O1 GOL C1901 mASP^C 52 146.96 129.53 32.38 147.78 129.23 32.86 147.44 128.10 30.42 148.57 127.78 30.78 146.75 129.34 30.96 147.21 130.59 30.19 2 0 9.66-999 ?-999 ?-999 ? O1 GOL C1901 mARG^C 53 146.73 127.39 29.56 145.81 127.75 29.39 146.81 126.33 27.50 145.63 126.20 27.18 147.25 126.19 28.94 146.64 124.95 29.62 2 0 9.14-999 ?-999 ?-999 ? O2 GOL C1901 mSER.C 54 147.76 126.63 26.62 148.68 126.70 27.01 146.61 125.75 24.58 146.91 124.57 24.68 147.47 126.83 25.21 148.76 126.94 24.41 2 0 12.61-999 ?-999 ?-999 ? O2 GOL C1901 mPRO.C 55 145.53 126.16 23.90 145.40 127.15 23.90 145.37 124.60 22.07 144.94 123.58 21.52 144.62 125.23 23.24 143.49 126.13 22.74 3 0 14.52-999 ?-999 ?-999 ? O2 GOL C1901 mTYR.C 56 146.48 125.22 21.69 146.70 126.03 22.22 148.25 123.67 21.08 148.82 123.78 22.16 147.30 124.74 20.58 148.04 125.91 19.96 3 0 16.32-999 ?-999 ?-999 ? O2 GOL C1901 mTHR^C 57 148.42 122.62 20.28 147.92 122.66 19.41 150.50 121.43 19.79 150.65 122.19 18.84 149.27 121.51 20.66 148.53 120.21 20.52 2 0 15.77-999 ?-999 ?-999 ? O2 GOL C1901 mMETC 58 151.38 120.50 20.13 151.12 119.96 20.93 153.12 118.90 19.70 152.96 118.41 20.82 152.62 120.30 19.40 153.66 121.36 19.81 2 0 17.38-999 ?-999 ?-999 ? O2 GOL C1901 mGLU^C 59 153.70 118.25 18.70 153.75 118.77 17.85 155.64 116.88 19.33 156.49 117.57 18.79 154.20 116.88 18.85 154.10 116.16 17.50 2 0 18.79-999 ?-999 ?-999 ? O2 GOL C1901 mVAL^C 60 155.91 116.08 20.36 155.13 115.55 20.68 157.79 114.59 20.91 157.04 113.63 20.75 157.24 116.01 20.95 157.20 116.46 22.42 3 0 18.12-999 ?-999 ?-999 ? O1 GOL C1901 mGLU^C 61 159.10 114.46 21.06 159.59 115.33 21.17 160.12 112.76 22.49 160.71 113.55 23.23 159.76 113.15 21.06 161.02 113.19 20.19 2 0 20.21-999 ?-999 ?-999 ? O1 GOL C1901 mLYS^C 62 159.76 111.54 22.89 159.27 111.00 22.20 160.61 109.62 24.19 160.33 108.87 23.24 160.07 111.06 24.23 158.83 111.11 25.11 2 0 19.26-999 ?-999 ?-999 ? O2 GOL C1901 mPRO.C 63 161.38 109.22 25.22 161.53 109.93 25.91 160.94 106.79 25.65 160.51 106.67 26.80 161.97 107.88 25.32 163.02 108.04 26.42 3 0 21.58-999 ?-999 ?-999 ? O2 GOL C1901 mTHR.C 71 162.05 105.67 19.88 162.55 104.98 19.36 159.89 106.84 20.12 159.52 106.26 19.09 161.32 106.68 20.64 162.00 108.07 20.54 2 0 24.68-999 ?-999 ?-999 ? O2 GOL C1901 mGLU^C 72 159.09 107.62 20.84 159.53 108.03 21.64 157.41 109.34 20.34 158.21 110.19 20.72 157.71 107.86 20.45 156.76 107.26 21.49 2 0 22.54-999 ?-999 ?-999 ? O2 GOL C1901 mMETC 73 156.23 109.63 19.80 155.70 108.83 19.52 154.60 111.20 20.58 153.68 110.38 20.62 155.77 111.00 19.64 155.32 111.24 18.20 2 0 20.77-999 ?-999 ?-999 ? O2 GOL C1901 mVAL^C 74 154.65 112.29 21.34 155.47 112.84 21.22 153.13 114.04 22.02 153.94 114.93 21.75 153.58 112.61 22.27 154.06 112.44 23.72 3 0 17.19-999 ?-999 ?-999 ? O2 GOL C1901 mTHR^C 75 151.83 114.28 22.08 151.25 113.49 22.28 151.17 116.37 23.18 150.71 115.82 24.18 151.33 115.63 21.85 150.00 115.60 21.07 2 0 15.79-999 ?-999 ?-999 ? O2 GOL C1901 mARG^C 76 151.59 117.64 23.19 151.93 117.95 22.30 150.88 119.85 24.07 150.69 120.21 22.91 151.54 118.48 24.37 152.97 118.68 24.89 2 0 12.59-999 ?-999 ?-999 ? O2 GOL C1901 mASN^C 77 150.51 120.60 25.11 150.66 120.19 26.01 151.14 122.79 24.61 152.13 122.73 25.34 149.93 121.92 24.89 149.21 122.45 26.13 2 0 11.57-999 ?-999 ?-999 ? O2 GOL C1901 mGLN.C 78 151.07 123.61 23.57 150.22 123.58 23.05 152.81 125.16 24.47 154.03 125.17 24.63 152.20 124.47 23.24 151.79 125.50 22.18 2 0 13.44-999 ?-999 ?-999 ? O1 GOL C1901 mSER.C 79 151.99 125.74 25.34 151.02 125.68 25.12 151.67 126.25 27.77 150.50 125.91 27.70 152.54 126.39 26.52 152.82 127.89 26.25 2 0 10.64-999 ?-999 ?-999 ? O1 GOL C1901 mTHR^C 80 152.27 126.53 28.91 153.23 126.81 28.82 152.01 127.62 31.03 153.19 127.94 31.11 151.58 126.43 30.18 151.94 125.09 30.85 2 0 7.22-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 81 151.04 128.29 31.65 150.12 127.92 31.50 150.80 129.33 33.90 149.70 128.82 34.12 151.34 129.46 32.48 150.74 130.72 31.82 3 0 7.56-999 ?-999 ?-999 ? O1 GOL C1901 mILE^C 82 151.59 129.78 34.88 152.47 130.16 34.58 151.54 130.92 37.11 152.36 131.74 36.71 151.14 129.71 36.27 151.71 128.48 37.01 3 0 6.61-999 ?-999 ?-999 ? O1 GOL C1901 mTYR^C 83 150.95 130.99 38.29 150.27 130.27 38.45 151.94 131.23 40.37 151.43 130.19 40.78 151.26 132.03 39.26 149.99 132.67 39.83 3 0 9.30-999 ?-999 ?-999 ? O1 GOL C1901 mTYR^C 84 153.10 131.67 40.81 153.46 132.49 40.38 154.01 131.94 42.98 154.54 133.03 42.75 153.77 130.95 41.88 155.09 130.33 41.41 3 0 9.70-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 85 153.60 131.56 44.19 153.23 130.63 44.22 154.26 131.80 46.60 153.77 130.78 47.08 153.69 132.43 45.34 152.30 132.98 45.66 3 0 12.94-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 86 155.30 132.43 47.14 155.63 133.21 46.63 155.33 132.92 49.44 155.19 134.13 49.20 155.88 131.97 48.39 157.40 132.07 48.36 3 0 15.37-999 ?-999 ?-999 ? O1 GOL C1901 mTHR.C 87 155.00 132.38 50.60 155.16 131.39 50.67 155.21 132.85 52.92 155.96 131.88 52.94 154.44 133.19 51.68 152.97 132.85 51.93 2 0 18.08-999 ?-999 ?-999 ? O3 GOL C1901 mPRO.C 88 155.04 133.64 53.98 154.42 134.42 53.89 155.36 131.98 55.84 156.14 131.36 56.57 155.80 133.28 55.17 155.70 134.52 56.06 3 0 20.89-999 ?-999 ?-999 ? O3 GOL C1901 mASP.C 89 154.14 131.54 55.59 153.60 132.12 54.97 154.04 129.14 55.26 153.80 127.98 55.58 153.66 130.29 56.19 152.15 130.32 56.35 2 0 19.45-999 ?-999 ?-999 ? O3 GOL C1901 mSER.C 90 154.63 129.49 54.13 154.75 130.48 54.03 156.13 129.25 52.26 155.90 129.59 51.10 155.07 128.53 53.12 153.86 128.12 52.27 2 0 16.37-999 ?-999 ?-999 ? O3 GOL C1901 mPRO.C 91 157.31 129.49 52.83 157.36 129.14 53.77 159.37 129.39 51.26 160.29 129.97 50.69 158.44 130.18 52.18 159.20 130.73 53.37 3 0 17.89-999 ?-999 ?-999 ? O3 GOL C1901 mILE^C 92 159.16 128.10 51.10 158.36 127.73 51.58 159.47 126.51 49.11 158.43 125.88 49.23 160.06 127.31 50.27 160.86 126.32 51.15 3 0 16.04-999 ?-999 ?-999 ? O3 GOL C1901 mGLY^C 93 160.18 126.56 47.99 160.98 127.16 48.01 160.90 124.72 46.85 162.03 125.00 46.48 159.81 125.78 46.83-999.99-999.99-999.99 1 0 13.18-999 ?-999 ?-999 ? O3 GOL C1901 mLYS^C 94 160.57 123.52 47.30 159.61 123.41 47.55 162.05 121.91 46.09 161.29 121.77 45.14 161.58 122.48 47.40 161.10 121.38 48.35 2 0 13.89-999 ?-999 ?-999 ? O3 GOL C1901 mPHE^C 95 163.35 121.59 46.05 163.83 121.77 46.91 163.16 120.12 44.02 162.69 119.08 44.45 164.00 121.03 44.88 165.27 120.28 45.29 3 0 14.80-999 ?-999 ?-999 ? O3 GOL C1901 mHIS^C 96 162.97 120.52 42.78 163.35 121.42 42.57 162.90 120.04 40.50 163.58 121.06 40.36 162.25 119.71 41.83 160.74 119.99 41.84 3 0 12.10-999 ?-999 ?-999 ? C1 GOL C1901 mLYS^C 97 162.68 119.18 39.52 162.07 118.42 39.76 162.26 119.11 37.13 161.32 118.35 37.31 163.30 119.33 38.22 164.42 118.29 38.13 2 0 12.47-999 ?-999 ?-999 ? O1 GOL C1901 mASN^C 98 162.42 119.80 36.01 163.21 120.42 35.99 162.27 119.30 33.62 163.37 119.81 33.40 161.50 119.64 34.90 160.68 120.91 34.68 2 0 10.70-999 ?-999 ?-999 ? O1 GOL C1901 mILE.C 99 161.70 118.43 32.80 160.81 118.10 33.11 162.64 119.19 30.61 163.65 119.19 29.91 162.34 118.01 31.55 161.43 116.98 30.81 3 0 12.98-999 ?-999 ?-999 ? O1 GOL C1901 mASN.C 100 161.75 120.18 30.61 160.99 120.05 31.25 162.32 122.63 30.47 162.16 122.78 31.68 161.87 121.35 29.75 160.54 121.61 29.05 2 0 12.53-999 ?-999 ?-999 ? O1 GOL C1901 mARG.C 101 162.90 123.56 29.70 163.00 123.31 28.74 162.14 125.61 30.70 161.07 125.48 30.12 163.36 124.82 30.25 164.14 125.62 29.20 2 0 13.53-999 ?-999 ?-999 ? O1 GOL C1901 mILE^C 102 162.31 126.43 31.74 163.24 126.45 32.11 161.56 128.70 32.43 162.55 129.06 33.07 161.21 127.22 32.26 160.73 126.65 33.60 3 0 11.38-999 ?-999 ?-999 ? O1 GOL C1901 mILE^C 103 160.72 129.54 31.84 159.98 129.07 31.36 160.25 131.56 33.16 159.08 131.31 33.44 160.85 130.99 31.87 160.08 131.61 30.68 3 0 13.08-999 ?-999 ?-999 ? O1 GOL C1901 mHIS^C 104 161.02 132.32 33.93 161.96 132.45 33.61 160.35 134.41 35.05 161.31 135.08 34.68 160.45 132.89 35.15 161.30 132.54 36.37 3 0 13.31-999 ?-999 ?-999 ? O1 GOL C1901 mILE^C 105 159.19 134.96 35.38 158.48 134.31 35.66 158.59 136.93 36.69 157.52 136.59 37.19 159.00 136.40 35.32 157.89 136.79 34.33 3 0 15.28-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 106 159.45 137.76 37.28 160.27 137.94 36.74 158.05 139.36 38.55 158.09 140.29 37.76 159.18 138.34 38.59 160.44 139.04 39.12 3 0 17.15-999 ?-999 ?-999 ? O1 GOL C1901 mGLN^C 107 157.06 139.19 39.41 157.15 138.40 40.01 155.95 141.02 40.68 155.89 142.24 40.55 155.95 140.13 39.45 154.62 139.38 39.31 2 0 17.79-999 ?-999 ?-999 ? O1 GOL C1901 mARG^C 108 156.02 140.43 41.87 156.06 139.43 41.84 156.83 140.54 44.20 156.84 139.32 44.30 156.05 141.21 43.09 154.63 141.50 43.58 2 0 19.74-999 ?-999 ?-999 ? O1 GOL C1901 mGLY^C 109 157.50 141.34 45.02 157.44 142.32 44.82 159.74 140.58 45.91 160.37 141.31 45.15 158.25 140.78 46.12-999.99-999.99-999.99 1 0 21.15-999 ?-999 ?-999 ? O1 GOL C1901 mLYS.C 110 160.29 139.59 46.60 159.64 139.10 47.18 161.89 137.80 46.93 161.10 137.27 47.71 161.71 139.26 46.53 162.52 140.14 47.48 2 0 21.50-999 ?-999 ?-999 ? O1 GOL C1901 mGLY^C 111 162.92 137.16 46.40 163.49 137.70 45.78 164.49 135.29 46.20 165.18 136.01 45.48 163.15 135.76 46.71-999.99-999.99-999.99 1 0 19.92-999 ?-999 ?-999 ? O1 GOL C1901 mGLN^C 112 164.88 134.07 46.56 164.23 133.57 47.14 166.06 132.17 45.50 165.30 131.33 45.96 166.16 133.55 46.12 167.13 133.53 47.28 2 0 20.33-999 ?-999 ?-999 ? O1 GOL C1901 mTYR^C 113 166.83 131.95 44.43 167.38 132.73 44.15 168.15 129.92 43.95 169.22 130.51 43.86 166.83 130.65 43.76 166.56 130.80 42.26 3 0 18.50-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 114 168.03 128.63 44.22 167.09 128.31 44.28 168.93 126.64 43.42 167.89 125.99 43.48 169.18 127.76 44.39 169.24 127.15 45.79 3 0 19.84-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 115 169.86 126.43 42.49 170.65 127.03 42.53 170.93 124.53 41.40 172.05 125.04 41.45 169.68 125.36 41.53 169.20 125.91 40.17 3 0 18.94-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 116 170.73 123.23 41.29 169.76 122.97 41.27 171.81 121.58 39.85 170.80 121.00 39.45 171.81 122.27 41.21 171.64 121.22 42.32 3 0 20.81-999 ?-999 ?-999 ? O1 GOL C1901 mTYR.C 117 172.93 121.63 39.13 173.68 122.14 39.56 173.35 119.51 37.99 173.89 119.10 39.02 173.01 120.99 37.83 174.06 121.67 36.94 3 0 21.62-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.C 118 173.01 118.69 36.99 172.55 119.09 36.20 174.83 117.02 37.42 175.16 116.11 38.17 173.34 117.28 37.16 172.81 116.63 35.87 3 0 22.59-999 ?-999 ?-999 ? O1 GOL C1901 mASP.C 119 175.72 117.81 36.84 175.35 118.53 36.25 177.52 117.95 38.51 178.69 117.88 38.88 177.15 117.59 37.09 178.03 118.40 36.14 2 0 26.21-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 120 176.54 118.35 39.31 175.63 118.39 38.89 177.06 120.14 41.04 177.11 120.50 42.22 176.82 118.68 40.70-999.99-999.99-999.99 1 0 26.00-999 ?-999 ?-999 ? O1 GOL C1901 mGLN.C 121 177.23 120.99 40.04 177.19 120.59 39.12 176.22 122.96 41.00 175.09 122.52 40.75 177.44 122.40 40.30 177.66 123.18 39.01 2 0 26.19-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 122 176.43 123.94 41.85 177.39 124.22 41.94 175.40 126.06 42.47 176.44 126.66 42.75 175.34 124.54 42.59 175.44 124.15 44.08 3 0 24.59-999 ?-999 ?-999 ? O1 GOL C1901 mLYS^C 123 174.33 126.69 42.02 173.55 126.12 41.75 173.16 128.82 42.57 172.06 128.27 42.60 174.37 128.14 41.95 174.59 128.65 40.53 2 0 23.99-999 ?-999 ?-999 ? O1 GOL C1901 mSER^C 124 173.40 130.01 43.09 174.33 130.36 43.02 172.34 132.19 43.29 173.40 132.78 43.10 172.32 130.73 43.72 172.45 130.61 45.24 2 0 23.26-999 ?-999 ?-999 ? O1 GOL C1901 mPHE^C 125 171.15 132.76 43.12 170.37 132.17 43.29 169.72 134.72 43.27 168.71 134.01 43.37 171.04 134.15 42.72 171.11 134.26 41.19 3 0 23.22-999 ?-999 ?-999 ? O1 GOL C1901 mLYS^C 126 169.74 135.99 43.64 170.62 136.45 43.52 167.64 137.17 43.07 168.11 137.55 41.99 168.56 136.65 44.17 168.96 137.80 45.10 2 0 23.02-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 127 166.34 137.19 43.35 166.11 136.83 44.26 164.70 138.93 43.00 164.21 138.92 44.13 165.35 137.69 42.42 164.26 136.66 42.15 3 0 20.91-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 128 164.69 140.01 42.22 165.12 139.88 41.32 164.32 142.33 41.62 165.01 142.11 40.63 164.11 141.26 42.66-999.99-999.99-999.99 1 0 22.88-999 ?-999 ?-999 ? O1 GOL C1901 mPHE.C 129 163.75 143.51 41.86 163.24 143.56 42.71 165.09 145.51 41.07 165.37 146.30 40.17 163.88 144.60 40.91 162.61 145.45 40.94 3 0 25.14-999 ?-999 ?-999 ? O1 GOL C1901 mASP.C 130 165.82 145.41 42.17 165.52 144.71 42.82 167.90 146.27 41.18 168.25 147.32 40.65 166.96 146.29 42.37 167.73 145.95 43.64 2 0 28.42-999 ?-999 ?-999 ? O1 GOL C1901 mTYR.C 131 168.33 145.09 40.77 167.98 144.33 41.33 170.51 145.74 39.67 171.56 145.27 39.20 169.21 144.93 39.62 168.42 145.19 38.31 3 0 28.23-999 ?-999 ?-999 ? O1 GOL C1901 mLYS.C 132 170.47 146.94 40.23 169.56 147.23 40.54 172.48 146.99 41.42 173.71 147.06 41.45 171.68 147.74 40.36 171.36 149.15 40.87 2 0 30.63-999 ?-999 ?-999 ? C8 ADE A 500 mASN.C 133 171.75 146.28 42.27 170.76 146.34 42.12 172.35 144.00 43.01 172.46 143.16 43.90 172.33 145.48 43.34 171.58 145.70 44.65 2 0 31.27-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 134 172.22 143.70 41.72 172.09 144.48 41.11 171.03 141.48 41.31 171.13 140.26 41.14 172.28 142.32 41.27-999.99-999.99-999.99 1 0 28.65-999 ?-999 ?-999 ? O1 GOL C1901 mGLU.C 135 169.87 142.07 41.55 169.92 143.06 41.70 168.21 141.13 40.10 168.45 142.01 39.27 168.65 141.28 41.56 167.57 141.98 42.39 2 0 25.44-999 ?-999 ?-999 ? O1 GOL C1901 mVAL.C 136 167.60 140.00 39.78 167.47 139.35 40.53 165.62 139.68 38.38 165.00 139.18 39.31 167.16 139.76 38.42 167.80 138.48 37.90 3 0 22.90-999 ?-999 ?-999 ? O1 GOL C1901 mSER.C 137 165.01 140.20 37.31 165.64 140.57 36.62 163.06 139.09 36.25 161.88 138.74 36.27 163.55 140.21 37.15 163.09 141.54 36.56 2 0 20.90-999 ?-999 ?-999 ? O1 GOL C1901 mGLN^C 138 163.95 138.55 35.43 164.87 138.95 35.48 164.67 136.40 34.66 165.83 136.75 34.81 163.59 137.46 34.53 163.59 137.90 33.07 2 0 18.84-999 ?-999 ?-999 ? O1 GOL C1901 mTRP^C 139 164.30 135.13 34.60 163.31 134.97 34.52 164.83 132.77 34.11 163.70 132.35 34.35 165.32 134.09 34.67 165.84 133.91 36.09 3 0 17.72-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 140 165.71 132.12 33.35 166.58 132.60 33.25 166.27 129.73 33.35 167.49 129.85 33.41 165.42 130.83 32.73 165.73 130.85 31.21 3 0 16.35-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 141 165.65 128.66 33.82 164.65 128.68 33.79 166.25 126.42 33.34 165.13 125.96 33.10 166.44 127.56 34.33 166.07 127.15 35.80 3 0 15.72-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.C 142 167.35 125.98 32.71 168.17 126.47 32.99 166.73 123.65 32.23 166.77 123.38 33.44 167.37 124.91 31.71 168.86 124.71 31.45 3 0 16.68-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 143 166.14 122.88 31.32 166.17 123.23 30.38 166.55 120.71 32.35 167.75 120.78 32.05 165.52 121.63 31.71-999.99-999.99-999.99 1 0 14.90-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 144 166.10 119.84 33.24 165.12 119.88 33.42 167.79 119.49 35.05 168.62 118.81 35.64 167.03 118.92 33.88-999.99-999.99-999.99 1 0 16.29-999 ?-999 ?-999 ? O1 GOL C1901 mVAL.C 145 167.52 120.74 35.40 166.82 121.20 34.86 167.33 121.43 37.76 166.24 121.98 37.70 168.22 121.35 36.52 168.70 122.74 36.15 3 0 16.78-999 ?-999 ?-999 ? O1 GOL C1901 mPHE^C 146 167.79 120.88 38.87 168.69 120.44 38.79 166.94 122.37 40.58 167.95 123.07 40.61 167.01 120.93 40.10 167.65 120.05 41.18 3 0 16.03-999 ?-999 ?-999 ? O1 GOL C1901 mLYS^C 147 165.76 122.81 40.96 165.00 122.16 40.89 164.78 124.24 42.71 163.86 123.44 42.92 165.62 124.17 41.44 164.99 125.08 40.37 2 0 14.93-999 ?-999 ?-999 ? O1 GOL C1901 mALA^C 148 165.13 125.21 43.54 165.91 125.75 43.24 164.44 126.96 44.92 165.16 127.64 44.20 164.43 125.46 44.79 165.16 124.81 45.94 2 0 15.45-999 ?-999 ?-999 ? O1 GOL C1901 mSER^C 149 163.63 127.49 45.84 163.09 126.83 46.36 162.99 129.23 47.38 162.13 128.50 47.87 163.58 128.93 46.04 162.71 129.58 44.97 2 0 16.37-999 ?-999 ?-999 ? O1 GOL C1901 mPHE^C 150 163.48 130.29 48.01 164.22 130.78 47.54 162.63 132.16 49.27 163.28 132.95 48.58 162.93 130.68 49.28 163.86 130.31 50.46 3 0 18.65-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 151 161.60 132.52 50.04 161.17 131.76 50.53 162.09 134.71 50.99 162.60 134.26 52.00 161.13 133.88 50.16 159.74 133.84 50.79 3 0 19.79-999 ?-999 ?-999 ? O1 GOL C1901 mLEU.C 152 162.36 135.93 50.52 161.91 136.14 49.66 162.36 137.97 51.78 161.38 138.36 51.16 163.24 136.87 51.22 164.23 137.51 50.25 3 0 23.23-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.C 153 162.71 138.51 52.96 163.53 138.13 53.39 161.87 140.81 52.63 162.88 141.16 52.02 161.89 139.58 53.53 162.56 139.84 54.87 3 0 25.78-999 ?-999 ?-999 ? O1 GOL C1901 mASN~C 154 160.71 141.46 52.54 159.97 141.07 53.09 159.28 143.39 52.11 158.24 142.76 52.34 160.57 142.65 51.71 160.52 142.23 50.24 2 0 26.29-999 ?-999 ?-999 ? O1 GOL C1901 mGLU~C 155 159.35 144.71 52.18 160.24 145.10 51.96 157.18 145.65 51.44 155.97 145.67 51.66 158.17 145.48 52.57 158.58 146.88 53.07 2 0 28.27-999 ?-999 ?-999 ? O1 GOL C1901 mGLU~C 156 157.69 145.76 50.21 158.69 145.69 50.16 155.71 144.96 48.87 154.77 145.22 48.13 156.83 145.98 49.06 157.66 146.05 47.77 2 0 26.56-999 ?-999 ?-999 ? O1 GOL C1901 mPHE~C 157 155.78 143.82 49.53 156.57 143.72 50.13 154.49 141.97 50.63 154.21 140.77 50.55 154.74 142.80 49.36 155.14 141.90 48.18 3 0 23.67-999 ?-999 ?-999 ? O1 GOL C1901 mASP~C 158 154.59 142.61 51.79 154.80 143.58 51.71 155.10 140.57 53.08 154.48 139.56 53.40 154.40 141.91 53.06 152.92 141.67 53.35 2 0 25.14-999 ?-999 ?-999 ? O1 GOL C1901 mASN.C 159 156.38 140.57 52.74 156.75 141.46 52.50 156.49 138.28 51.85 156.41 137.11 52.21 157.14 139.33 52.74 157.28 138.82 54.17 2 0 23.55-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 160 156.02 138.71 50.69 156.12 139.70 50.53 156.29 137.74 48.52 157.05 138.67 48.25 155.40 137.81 49.75-999.99-999.99-999.99 1 0 20.08-999 ?-999 ?-999 ? O1 GOL C1901 mPHE^C 161 156.21 136.65 47.77 155.55 135.98 48.10 156.11 135.97 45.49 155.66 134.83 45.53 157.03 136.49 46.58 158.15 135.49 46.88 3 0 17.56-999 ?-999 ?-999 ? O1 GOL C1901 mLEU^C 162 155.82 136.83 44.52 156.26 137.72 44.61 155.57 136.55 42.05 156.10 137.58 41.67 154.91 136.46 43.44 153.66 137.34 43.51 3 0 15.36-999 ?-999 ?-999 ? O1 GOL C1901 mILE^C 163 155.53 135.44 41.32 155.08 134.66 41.77 155.19 134.59 39.08 154.18 134.06 39.53 156.11 135.38 39.99 157.47 134.66 39.98 3 0 13.51-999 ?-999 ?-999 ? O1 GOL C1901 mSER^C 164 155.54 134.52 37.81 156.36 135.03 37.58 155.78 132.92 36.13 156.91 133.36 35.92 154.76 133.75 36.85 154.04 134.66 35.85 2 0 11.11-999 ?-999 ?-999 ? O1 GOL C1901 mGLU^C 165 155.39 131.70 35.79 154.45 131.48 36.06 155.59 130.40 33.77 154.35 130.34 33.66 156.26 130.76 35.08 156.46 129.49 35.90 2 0 9.11-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 166 156.40 130.15 32.75 157.37 130.27 32.95 156.73 128.60 30.98 157.93 128.73 30.81 155.88 129.75 31.46 155.93 130.89 30.43 3 0 9.45-999 ?-999 ?-999 ? O1 GOL C1901 mVAL^C 167 156.09 127.46 30.77 155.10 127.48 30.95 156.36 125.88 28.92 155.17 125.79 28.64 156.80 126.29 30.31 156.56 125.11 31.26 3 0 8.79-999 ?-999 ?-999 ? O1 GOL C1901 mVAL.C 168 157.32 125.64 28.04 158.25 125.80 28.36 157.99 124.13 26.29 159.19 124.31 26.44 156.97 125.20 26.71 156.88 126.41 25.71 3 0 11.48-999 ?-999 ?-999 ? O1 GOL C1901 mPRO.C 169 157.51 122.97 25.83 158.24 122.34 25.59 155.36 122.70 27.03 155.98 122.60 28.09 156.09 122.61 25.69 156.15 121.17 25.18 3 0 11.84-999 ?-999 ?-999 ? O1 GOL C1901 mGLY.C 170 154.04 122.87 26.98 153.66 122.94 26.06 153.49 121.85 29.21 153.84 120.72 28.88 153.24 122.95 28.19-999.99-999.99-999.99 1 0 8.58-999 ?-999 ?-999 ? O1 GOL C1901 mPHE.C 171 153.29 122.19 30.48 152.97 123.13 30.62 152.86 119.91 31.42 151.79 119.80 30.87 153.53 121.25 31.56 153.09 121.85 32.89 3 0 -5.74-999 ?-999 ?-999 ? O1 GOL C1901s mASP~C 172 153.52 118.88 31.94 154.41 119.13 32.32 153.64 116.75 33.10 154.85 116.83 33.28 152.97 117.53 31.96 153.21 116.81 30.64 2 0 6.94-999 ?-999 ?-999 ? O2 GOL C1901 mPHE~C 173 152.85 116.01 33.86 151.88 116.02 33.59 154.59 114.40 34.72 155.41 114.14 35.61 153.37 115.27 35.00 152.25 114.44 35.64 3 0 7.33-999 ?-999 ?-999 ? C2 GOL C1901 mGLU~C 174 154.74 113.95 33.49 154.03 114.23 32.84 157.16 113.92 33.04 158.25 113.40 33.27 155.88 113.11 33.16 155.60 112.36 31.87 2 0 10.98-999 ?-999 ?-999 ? C2 GOL C1901 mASP.C 175 157.02 115.19 32.69 156.08 115.49 32.55 158.58 116.62 33.88 159.42 117.53 33.95 158.19 116.03 32.54 157.90 117.18 31.56 2 0 10.55-999 ?-999 ?-999 ? O1 GOL C1901 mHIS^C 176 158.00 116.11 34.96 157.37 115.36 34.78 158.77 115.57 37.26 158.29 114.45 37.23 158.30 116.65 36.29 157.03 117.31 36.85 3 0 9.04-999 ?-999 ?-999 ? C1 GOL C1901 mTHR^C 177 159.73 115.92 38.11 160.07 116.85 37.99 160.91 115.83 40.19 161.65 116.76 39.87 160.22 114.99 39.13 161.24 113.92 38.58 2 0 11.40-999 ?-999 ?-999 ? O3 GOL C1901 mPHE^C 178 160.66 115.52 41.46 160.03 114.75 41.58 162.41 115.50 43.20 162.55 114.29 43.05 161.26 116.25 42.56 160.20 116.57 43.60 3 0 12.11-999 ?-999 ?-999 ? O3 GOL C1901 mLEU.C 179 163.23 116.24 43.93 163.01 117.21 43.96 163.82 114.79 45.73 162.93 115.21 46.47 164.37 115.66 44.61 165.23 116.77 45.20 3 0 15.67-999 ?-999 ?-999 ? O3 GOL C1901 mLYS.C 180 164.34 113.57 45.84 165.06 113.37 45.17 164.10 113.17 48.28 163.13 113.49 48.98 163.89 112.64 46.86 164.59 111.28 46.71 2 0 17.13-999 ?-999 ?-999 ? O3 GOL C1901 mGLY~C 181 165.36 113.26 48.69 166.06 112.98 48.03 167.10 114.18 50.11 167.76 114.31 49.09 165.66 113.75 50.03-999.99-999.99-999.99 1 0 19.59-999 ?-999 ?-999 ? O3 GOL C1901 mGLU~C 182 167.59 114.41 51.33 166.94 114.26 52.08 169.88 113.75 50.98 171.04 114.01 50.66 168.97 114.84 51.51 169.28 115.10 52.98 2 0 22.74-999 ?-999 ?-999 ? O3 GOL C1901 mASP~C 183 169.35 112.54 50.89 168.40 112.47 51.18 170.49 111.60 48.95 171.59 111.25 48.53 170.13 111.41 50.40 169.34 110.13 50.56 2 0 24.20-999 ?-999 ?-999 ? O3 GOL C1901 mGLU~C 184 169.56 112.15 48.17 168.71 112.38 48.64 170.69 113.64 46.61 171.53 113.72 45.71 169.82 112.39 46.76 168.50 112.57 46.01 2 0 22.25-999 ?-999 ?-999 ? O3 GOL C1901 mLEU~C 185 170.50 114.60 47.50 169.78 114.41 48.17 172.75 115.47 47.69 173.63 116.01 47.03 171.28 115.82 47.49 170.83 116.75 48.61 3 0 22.90-999 ?-999 ?-999 ? O3 GOL C1901 mLYS~C 186 173.01 114.56 48.62 172.20 114.20 49.09 175.03 113.51 47.70 176.20 113.76 47.42 174.37 114.14 48.91 174.41 113.11 50.06 2 0 26.56-999 ?-999 ?-999 ? O3 GOL C1901 mHIS~C 187 174.27 112.71 46.96 173.32 112.63 47.26 175.02 112.79 44.54 174.98 112.23 43.44 174.84 112.00 45.83 174.05 110.72 45.55 3 0 26.70-999 ?-999 ?-999 ? O3 GOL C1901 mLEU~C 188 175.22 114.10 44.66 175.19 114.45 45.59 175.97 116.30 43.86 176.36 117.07 43.00 175.46 114.93 43.48 174.22 115.06 42.61 3 0 26.00-999 ?-999 ?-999 ? C1 GOL C1901 mVAL~C 189 175.98 116.59 45.15 175.65 115.86 45.75 177.46 117.75 46.73 178.13 118.72 47.08 176.43 117.89 45.62 175.23 118.70 46.13 3 0 26.84-999 ?-999 ?-999 ? C1 GOL C1901 mGLY~C 190 177.58 116.56 47.28 176.99 115.84 46.91 177.86 116.40 49.71 176.98 117.22 49.93 178.54 116.34 48.35-999.99-999.99-999.99 1 0 29.91-999 ?-999 ?-999 ? O3 GOL C1901 mPRO~C 191 178.27 115.55 50.65 179.01 114.94 50.36 177.53 116.85 52.72 176.48 117.09 53.32 177.68 115.52 51.98 178.57 114.54 52.73 3 0 30.44-999 ?-999 ?-999 ? O3 GOL C1901 mGLU~C 192 178.54 117.71 52.69 179.34 117.45 52.16 177.65 120.07 52.71 176.94 120.86 53.33 178.38 118.96 53.44 179.73 119.46 53.99 2 0 31.36-999 ?-999 ?-999 ? O3 GOL C1901 mLYS~C 193 177.79 120.14 51.39 178.41 119.48 50.98 175.59 120.74 50.83 174.70 121.57 50.93 177.05 121.15 50.66 177.44 121.15 49.17 2 0 29.02-999 ?-999 ?-999 ? C1 GOL C1901 mALA~C 194 175.36 119.43 50.89 176.19 118.87 50.80 173.43 119.27 52.40 172.22 119.50 52.53 174.02 118.87 51.06 174.07 117.35 50.94 2 0 26.41-999 ?-999 ?-999 ? O3 GOL C1901 mALA~C 195 174.28 119.33 53.41 175.22 119.10 53.18 173.28 121.12 54.68 172.20 121.41 55.20 173.84 119.71 54.74 175.00 119.64 55.71 2 0 27.97-999 ?-999 ?-999 ? O3 GOL C1901 mGLU~C 196 174.02 122.01 54.04 174.87 121.63 53.66 172.32 123.56 53.12 171.53 124.45 53.41 173.63 123.39 53.90 174.74 124.16 53.19 2 0 27.55-999 ?-999 ?-999 ? O3 GOL C1901 mLEU~C 197 172.11 122.69 52.13 172.82 121.99 52.04 169.79 121.85 51.68 168.82 121.70 50.94 170.93 122.77 51.28 171.31 122.49 49.83 3 0 23.86-999 ?-999 ?-999 ? O3 GOL C1901 mALA~C 198 169.90 121.23 52.85 170.73 121.45 53.37 167.49 120.94 53.44 166.49 120.37 53.00 168.86 120.30 53.31 169.26 119.70 54.63 2 0 23.03-999 ?-999 ?-999 ? O3 GOL C1901 mPHE~C 199 167.44 122.13 54.03 168.32 122.50 54.32 165.41 123.08 52.90 164.20 123.32 52.94 166.16 122.81 54.21 166.36 124.11 55.00 3 0 21.63-999 ?-999 ?-999 ? O3 GOL C1901 mLEU~C 200 166.10 123.04 51.77 167.07 122.82 51.87 164.96 122.04 49.74 164.49 122.14 48.61 165.44 123.29 50.49 166.37 124.06 49.56 3 0 18.88-999 ?-999 ?-999 ? O3 GOL C1901 mALA~C 201 165.06 120.88 50.37 165.45 120.93 51.29 163.65 118.90 50.62 163.37 119.33 51.72 164.63 119.64 49.73 165.82 118.76 49.44 2 0 17.51-999 ?-999 ?-999 ? O3 GOL C1901 mHIS.C 202 163.12 117.79 50.13 163.43 117.54 49.21 162.87 116.15 51.96 164.07 116.28 52.17 162.18 117.02 50.91 161.33 116.15 50.00 3 0 16.58-999 ?-999 ?-999 ? O3 GOL C1901 mHIS.C 203 162.09 115.29 52.61 161.13 115.30 52.33 162.56 112.94 53.19 161.46 112.35 53.29 162.63 114.40 53.64 161.85 114.58 54.94 3 0 19.38-999 ?-999 ?-999 ? O3 GOL C1901