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2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3buy s PRO 20 Cb -0.14 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3buy s PRO 20 CO 0.02 -1.33 0.07 -1.71 -0.33 0.00 0.00 177.00 173.72 3buy n ASN 21 N -1.34 -0.20 -4.01 2.53 2.85 -0.68 -5.01 115.26 109.39 3buy n ASN 21 Ca 0.12 -1.18 -0.27 0.00 -0.11 0.00 0.00 54.58 53.14 3buy n ASN 21 Cb 0.46 0.35 -0.17 0.00 1.24 0.00 0.00 39.78 41.66 3buy n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3buy s ILE 22 N -2.72 1.30 -0.20 -1.44 1.01 -1.26 -2.59 121.20 115.30 3buy s ILE 22 Ca 0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 3buy s ILE 22 Cb -0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3buy s ILE 22 CO 0.02 0.40 0.51 -0.22 0.00 0.00 0.00 174.94 175.65 3buy s LEU 23 N 1.08 4.15 0.23 2.97 2.96 -0.41 -0.06 118.68 129.59 3buy s LEU 23 Ca -0.06 0.67 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 3buy s LEU 23 Cb -0.15 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3buy s LEU 23 CO -0.02 -0.17 0.21 0.20 -1.32 0.00 0.00 176.35 175.25 3buy s ASN 24 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28 CO 0.03 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.16 3buy n GLN 29 N -0.37 -6.75 -4.36 3.99 1.13 -0.94 -0.63 117.38 109.44 3buy n GLN 29 Ca 0.01 0.74 -0.24 0.00 -1.94 0.00 0.00 57.00 55.58 3buy n GLN 29 Cb 0.66 -5.69 -0.12 0.00 0.11 0.00 0.00 30.24 25.20 3buy n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3buy s PHE 30 N -3.35 1.98 -0.28 1.08 -0.12 -1.10 -4.27 117.98 111.92 3buy s PHE 30 Ca 0.49 -0.43 -0.21 0.00 -0.05 0.00 0.00 56.93 56.73 3buy s PHE 30 Cb -0.23 -1.00 0.08 0.00 -0.63 0.00 0.00 43.02 41.25 3buy s PHE 30 CO 0.77 0.37 0.75 -1.58 -0.05 0.00 0.00 175.22 175.48 3buy s HIS 31 N -1.81 -0.87 1.08 3.49 2.46 -1.16 -0.64 115.29 117.83 3buy s HIS 31 Ca 0.16 1.91 -0.13 0.00 0.47 0.00 0.00 55.06 57.47 3buy s HIS 31 Cb -0.07 0.43 0.23 0.00 -0.13 0.00 0.00 32.58 33.04 3buy s HIS 31 CO 0.07 -0.42 1.07 -2.14 -2.47 0.00 0.00 174.74 170.85 3buy s PRO 32 N 0.94 -0.21 0.36 2.88 0.02 -1.26 -0.70 135.00 137.03 3buy s PRO 32 Ca -0.04 0.50 0.19 0.00 0.02 0.00 0.00 61.00 61.66 3buy s PRO 32 Cb -0.05 -1.66 0.57 0.00 0.02 0.00 0.00 34.50 33.38 3buy s PRO 32 CO -0.09 -3.16 1.68 -1.00 -0.33 0.00 0.00 177.00 174.10 3buy h PRO 33 N -2.20 0.00 -6.48 5.54 0.13 -2.00 -3.45 132.00 123.55 3buy h PRO 33 Ca -0.56 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.04 3buy h PRO 33 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 3buy h PRO 33 CO 0.54 0.38 0.83 -1.58 -0.23 0.00 0.00 178.00 177.94 3buy s HIS 34 N -3.45 2.95 -0.04 1.56 2.46 -1.26 -5.00 115.29 112.51 3buy s HIS 34 Ca 0.01 0.76 -0.15 0.00 0.47 0.00 0.00 55.06 56.15 3buy s HIS 34 Cb 0.10 -3.75 0.03 0.00 -0.13 0.00 0.00 32.58 28.82 3buy s HIS 34 CO 0.69 -2.79 0.34 -1.50 -2.47 0.00 0.00 174.74 169.01 3buy s ILE 35 N 1.80 0.04 -0.17 0.89 2.07 -1.26 -4.68 121.20 119.89 3buy s ILE 35 Ca 0.67 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.55 3buy s ILE 35 Cb -0.36 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.62 3buy s ILE 35 CO 0.30 -0.20 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.33 3buy s GLU 36 N -1.04 3.05 -0.04 3.50 2.02 -0.70 -5.02 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-0.01 0.00 0.00 175.02 174.70 3buy s LEU 40 N -0.15 2.19 -0.31 -0.03 1.43 0.71 -0.47 118.68 122.05 3buy s LEU 40 Ca -0.01 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3buy s LEU 40 Cb -0.13 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.23 3buy s LEU 40 CO 0.03 0.13 0.02 -0.75 0.23 0.00 0.00 176.35 176.01 3buy s LYS 41 N -1.31 2.27 -1.42 1.70 2.20 0.31 -1.94 119.74 121.54 3buy s LYS 41 Ca 0.07 -1.40 -0.10 0.00 -0.36 0.00 0.00 55.97 54.17 3buy s LYS 41 Cb -0.09 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3buy s LYS 41 CO 0.02 -0.70 1.10 0.09 -0.36 0.00 0.00 175.35 175.50 3buy n ASN 42 N 4.56 -5.88 0.00 1.43 3.02 -0.05 -2.39 115.26 115.95 3buy n ASN 42 Ca -0.10 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3buy n ASN 42 Cb 0.43 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 3buy n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3buy n GLY 43 N -1.89 1.04 3.60 7.41 0.00 -1.26 -5.03 105.19 109.05 3buy n GLY 43 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3buy n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3buy s LYS 44 N -0.23 3.08 0.19 1.61 2.20 -1.01 -5.03 119.74 120.56 3buy s LYS 44 Ca 0.00 -0.49 -0.33 0.00 -0.36 0.00 0.00 55.97 54.80 3buy s LYS 44 Cb 0.00 -2.75 -0.13 0.00 -1.51 0.00 0.00 37.83 33.44 3buy s LYS 44 CO 0.00 0.57 1.63 1.63 -0.36 0.00 0.00 175.35 178.82 3buy n LYS 45 N 2.53 2.45 -2.82 4.03 5.02 -1.26 -0.53 118.16 127.58 3buy n LYS 45 Ca -0.18 0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 56.58 3buy n LYS 45 Cb 0.53 -2.68 -0.04 0.00 -0.02 0.00 0.00 35.03 32.82 3buy n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3buy s ILE 46 N 0.91 4.85 0.77 -0.18 1.01 0.38 -4.83 121.20 124.12 3buy s ILE 46 Ca 0.76 1.87 -0.11 0.00 0.00 0.00 0.00 60.65 63.17 3buy s ILE 46 Cb -0.59 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 37.70 3buy s ILE 46 CO 0.37 0.22 1.08 -2.16 0.00 0.00 0.00 174.94 174.45 3buy s PRO 47 N 0.71 2.27 -0.78 2.79 0.04 -1.26 -4.44 135.00 134.34 3buy s PRO 47 Ca 0.47 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3buy s PRO 47 Cb -0.20 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Ca 0.54 -0.99 -0.27 0.00 -1.25 0.00 0.00 55.69 53.72 3buy s MET 51 Cb -0.23 -4.04 -0.17 0.00 2.84 0.00 0.00 34.83 33.23 3buy s MET 51 CO 0.23 -0.94 1.54 1.03 -0.65 0.00 0.00 175.02 176.23 3buy h SER 52 N 8.76 -0.35 -0.78 1.11 0.87 -1.11 -3.46 113.55 118.59 3buy h SER 52 Ca -0.27 -0.07 0.18 0.00 -1.23 0.00 0.00 61.79 60.41 3buy h SER 52 Cb 1.11 0.09 -0.23 0.00 -0.44 0.00 0.00 62.40 62.93 3buy h SER 52 CO 0.83 -0.15 0.12 1.51 -0.53 0.00 0.00 176.83 178.61 3buy s ASP 53 N -4.92 -0.65 0.00 6.23 3.84 -1.26 -4.99 116.67 114.93 3buy s ASP 53 Ca -0.15 0.64 -0.30 0.00 -0.00 0.00 0.00 52.55 52.74 3buy s ASP 53 Cb 0.04 1.64 -0.05 0.00 -1.38 0.00 0.00 42.92 43.17 3buy s ASP 53 CO 0.62 -0.12 1.26 -0.32 -0.00 0.00 0.00 175.17 176.60 3buy s MET 54 N 2.68 4.36 0.36 2.11 -2.45 -1.26 -4.07 119.30 121.03 3buy s MET 54 Ca 0.01 1.79 -0.10 0.00 -1.25 0.00 0.00 55.69 56.14 3buy s MET 54 Cb -0.09 -3.48 0.04 0.00 1.25 0.00 0.00 34.83 32.56 3buy s MET 54 CO -0.16 -0.41 0.65 0.45 1.05 0.00 0.00 175.02 176.60 3buy n SER 55 N 4.76 -1.88 -4.14 1.11 2.88 -0.62 -5.03 113.62 110.70 3buy n SER 55 Ca 0.11 -2.57 -0.09 0.00 -1.33 0.00 0.00 58.87 54.99 3buy n SER 55 Cb 0.45 3.21 -0.10 0.00 -0.75 0.00 0.00 64.21 67.03 3buy n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3buy s PHE 56 N -2.79 0.81 0.07 0.66 -0.12 -1.26 0.83 117.98 116.18 3buy s PHE 56 Ca 0.18 -1.15 0.01 0.00 -0.05 0.00 0.00 56.93 55.92 3buy s PHE 56 Cb -0.03 -0.48 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 3buy s PHE 56 CO 0.14 -0.43 0.08 -1.13 -0.05 0.00 0.00 175.22 173.82 3buy n SER 57 N -0.05 0.67 0.06 1.98 3.41 -0.15 -4.89 113.62 114.64 3buy n SER 57 Ca -0.08 -1.21 0.07 0.00 -0.26 0.00 0.00 58.87 57.39 3buy n SER 57 Cb 0.63 -0.03 0.51 0.00 -0.26 0.00 0.00 64.21 65.05 3buy n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3buy h LYS 58 N 0.00 0.35 -0.19 4.33 1.63 -2.03 -1.80 116.57 118.86 3buy h LYS 58 Ca -0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3buy h LYS 58 Cb 0.16 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3buy h LYS 58 CO 0.06 0.23 0.00 -0.40 -3.45 0.00 0.00 179.45 175.89 3buy n ASP 59 N -4.49 1.32 0.00 4.20 5.68 -1.26 -4.92 116.55 117.08 3buy n ASP 59 Ca 0.03 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3buy n ASP 59 Cb 0.14 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 3buy n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3buy n TRP 60 N 0.15 0.00 -2.63 2.11 7.02 -0.67 -5.02 117.44 118.40 3buy n TRP 60 Ca 0.12 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.20 3buy n TRP 60 Cb 0.24 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.08 3buy n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3buy s SER 61 N -3.58 7.46 0.51 -0.99 1.04 -1.26 -4.70 113.70 112.18 3buy s SER 61 Ca 0.00 2.06 -0.10 0.00 0.48 0.00 0.00 55.95 58.38 3buy s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 3buy s SER 61 CO 0.00 -0.01 0.89 -0.36 0.98 0.00 0.00 173.24 174.74 3buy s PHE 62 N -0.94 3.54 0.13 5.02 0.40 0.18 -0.98 117.98 125.33 3buy s PHE 62 Ca 0.44 1.13 -0.03 0.00 -0.60 0.00 0.00 56.93 57.87 3buy s PHE 62 Cb -0.28 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 3buy s PHE 62 CO 0.35 -0.37 0.11 1.52 0.70 0.00 0.00 175.22 177.53 3buy s TYR 63 N -2.75 0.67 -0.05 0.36 1.13 0.24 -2.21 117.35 114.76 3buy s TYR 63 Ca 0.53 -1.07 -0.31 0.00 -1.41 0.00 0.00 57.07 54.81 3buy s TYR 63 Cb -0.10 -0.35 0.07 0.00 -1.10 0.00 0.00 41.96 40.48 3buy s TYR 63 CO 0.41 -0.55 0.68 -1.50 -2.51 0.00 0.00 175.55 172.08 3buy s ILE 64 N -4.00 0.00 -0.27 -3.49 2.07 -0.08 -1.58 121.20 113.84 3buy s ILE 64 Ca 0.20 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.45 3buy s ILE 64 Cb 0.06 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.71 3buy s ILE 64 CO -0.01 0.00 -0.08 -0.22 -1.91 0.00 0.00 174.94 172.72 3buy s LEU 65 N -1.23 3.54 -0.04 8.50 2.96 -1.26 -1.05 118.68 130.11 3buy s LEU 65 Ca -0.11 -1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 52.31 3buy s LEU 65 Cb -0.00 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 3buy s LEU 65 CO 0.09 -0.20 0.43 0.00 -1.32 0.00 0.00 176.35 175.35 3buy s ALA 66 N 1.15 3.62 -0.04 5.97 0.00 -0.63 -0.40 121.76 131.43 3buy s ALA 66 Ca -0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 3buy s ALA 66 Cb -0.20 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.47 3buy s ALA 66 CO -0.04 0.31 0.34 -3.38 0.00 0.00 0.00 175.76 172.98 3buy s HIS 67 N -0.46 -0.25 0.24 0.00 -3.43 -0.88 0.65 115.29 111.16 3buy s HIS 67 Ca 0.24 0.46 -0.05 0.00 -0.80 0.00 0.00 55.06 54.91 3buy s HIS 67 Cb -0.16 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.08 3buy s HIS 67 CO 0.12 -0.35 0.30 -0.08 -2.00 0.00 0.00 174.74 172.73 3buy s THR 68 N -0.98 0.00 0.12 -5.38 -1.32 -0.88 -1.08 115.64 106.12 3buy s THR 68 Ca -0.10 -1.74 -0.22 0.00 -1.21 0.00 0.00 61.69 58.41 3buy s THR 68 Cb -0.04 -2.41 -0.07 0.00 -1.51 0.00 0.00 72.50 68.46 3buy s THR 68 CO 0.04 0.00 0.66 -1.61 -2.21 0.00 0.00 174.62 171.50 3buy s GLU 69 N -3.93 4.37 0.03 7.08 2.02 -1.26 -1.29 118.70 125.72 3buy s GLU 69 Ca 0.32 0.93 -0.07 0.00 0.02 0.00 0.00 54.97 56.18 3buy s GLU 69 Cb 0.03 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3buy s GLU 69 CO 0.13 0.61 0.12 -0.59 0.02 0.00 0.00 175.26 175.55 3buy s PHE 70 N -1.12 0.14 -0.42 1.61 -0.71 -1.07 -4.86 117.98 111.55 3buy s PHE 70 Ca 0.32 -0.39 -0.04 0.00 -1.04 0.00 0.00 56.93 55.78 3buy s PHE 70 Cb -0.21 -0.10 0.11 0.00 -1.21 0.00 0.00 43.02 41.60 3buy s PHE 70 CO 0.22 -0.36 0.23 0.99 -1.34 0.00 0.00 175.22 174.96 3buy s THR 71 N -2.36 3.51 0.19 -4.49 2.01 -1.26 -1.69 115.64 111.55 3buy s THR 71 Ca -0.07 -1.94 -0.33 0.00 0.31 0.00 0.00 61.69 59.66 3buy s THR 71 Cb -0.02 -3.36 -0.14 0.00 0.01 0.00 0.00 72.50 68.99 3buy s THR 71 CO -0.03 -0.68 1.45 -2.65 -0.69 0.00 0.00 174.62 172.02 3buy n PRO 72 N 4.67 1.92 -4.45 4.92 -0.02 -1.26 -4.84 135.00 135.95 3buy n PRO 72 Ca -0.04 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 61.88 3buy n PRO 72 Cb 0.41 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 3buy n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3buy n THR 73 N 2.55 0.00 -0.05 3.45 -2.24 -1.26 -0.91 114.28 115.82 3buy n THR 73 Ca 0.15 -2.49 -0.13 0.00 -2.27 0.00 0.00 64.05 59.31 3buy n THR 73 Cb 0.28 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3buy n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3buy h GLU 74 N 0.00 0.76 -0.02 -0.78 4.81 -1.97 -3.37 114.58 114.00 3buy h GLU 74 Ca -0.30 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 3buy h GLU 74 Cb 1.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3buy h GLU 74 CO 0.47 1.10 0.00 0.25 -0.73 0.00 0.00 179.01 180.10 3buy n THR 75 N -3.99 0.27 -3.31 0.32 -2.24 -1.26 -5.01 114.28 99.06 3buy n THR 75 Ca -0.04 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.74 3buy n THR 75 Cb 0.62 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3buy n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3buy s ASP 76 N -0.40 6.92 0.01 3.42 1.01 -1.26 -5.08 116.67 121.30 3buy s ASP 76 Ca 0.03 1.16 0.03 0.00 0.71 0.00 0.00 52.55 54.49 3buy s ASP 76 Cb 0.02 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3buy s ASP 76 CO 0.03 0.15 -0.05 0.42 0.21 0.00 0.00 175.17 175.93 3buy s THR 77 N -1.35 3.74 0.02 -1.27 -4.23 -1.26 -4.73 115.64 106.56 3buy s THR 77 Ca 0.35 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 3buy s THR 77 Cb -0.17 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 3buy s THR 77 CO 0.19 0.36 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.22 3buy s TYR 78 N -1.04 0.89 0.17 3.99 1.51 -1.26 -0.87 117.35 120.74 3buy s TYR 78 Ca 0.18 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.85 3buy s TYR 78 Cb -0.11 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.20 3buy s TYR 78 CO 0.09 -0.01 0.37 0.00 -1.11 0.00 0.00 175.55 174.89 3buy s ALA 79 N -0.60 -0.40 -0.21 3.71 0.00 -0.82 -0.12 121.76 123.32 3buy s ALA 79 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3buy s ALA 79 Cb -0.06 0.82 0.05 0.00 0.00 0.00 0.00 23.12 23.94 3buy s ALA 79 CO 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 175.76 175.01 3buy s ARG 81 N 1.47 4.29 -0.13 0.00 3.52 0.20 -1.82 118.95 126.48 3buy s ARG 81 Ca -0.03 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3buy s ARG 81 Cb -0.17 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3buy s ARG 81 CO -0.07 0.16 -0.19 0.08 -0.81 0.00 0.00 175.30 174.47 3buy s VAL 82 N 0.68 1.78 -0.15 7.11 1.01 0.64 -0.60 120.40 130.86 3buy s VAL 82 Ca 0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3buy s VAL 82 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3buy s VAL 82 CO 0.07 0.50 -0.01 -0.75 0.00 0.00 0.00 175.10 174.91 3buy s LYS 83 N 0.93 3.60 -0.28 2.72 2.20 -0.18 -1.01 119.74 127.72 3buy s LYS 83 Ca -0.06 -0.46 -0.19 0.00 -0.36 0.00 0.00 55.97 54.90 3buy s LYS 83 Cb -0.15 -2.96 0.08 0.00 -1.51 0.00 0.00 37.83 33.29 3buy s LYS 83 CO -0.02 0.35 0.73 -1.58 -0.36 0.00 0.00 175.35 174.46 3buy s HIS 84 N 0.10 -0.93 0.13 4.03 2.46 -1.26 -1.71 115.29 118.10 3buy s HIS 84 Ca 0.01 1.98 0.02 0.00 0.47 0.00 0.00 55.06 57.54 3buy s HIS 84 Cb -0.13 0.49 0.33 0.00 -0.13 0.00 0.00 32.58 33.14 3buy s HIS 84 CO 0.02 -0.46 0.63 -0.25 -2.47 0.00 0.00 174.74 172.21 3buy n ASP 85 N 3.68 -0.03 0.26 9.88 8.00 -1.26 0.42 116.55 137.50 3buy n ASP 85 Ca -0.18 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.14 3buy n ASP 85 Cb 0.58 -0.26 0.83 0.00 -0.02 0.00 0.00 41.12 42.25 3buy n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3buy h SER 86 N 0.00 0.00 -3.19 -2.24 4.64 -1.86 -3.42 113.55 107.48 3buy h SER 86 Ca 0.25 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.93 3buy h SER 86 Cb 0.54 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.49 3buy h SER 86 CO -0.37 0.00 -0.57 -0.04 -0.87 0.00 0.00 176.83 174.98 3buy s MET 87 N -4.74 3.65 0.33 4.77 -1.94 0.17 -4.90 119.30 116.63 3buy s MET 87 Ca -0.05 -0.33 0.26 0.00 -1.71 0.00 0.00 55.69 53.86 3buy s MET 87 Cb 0.16 -3.10 0.95 0.00 2.01 0.00 0.00 34.83 34.85 3buy s MET 87 CO 0.58 0.46 1.78 0.00 -0.01 0.00 0.00 175.02 177.82 3buy h ALA 88 N 6.05 1.00 -3.11 3.03 0.00 -1.83 -3.43 119.26 120.97 3buy h ALA 88 Ca -0.43 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 3buy h ALA 88 Cb 1.18 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 3buy h ALA 88 CO 0.64 0.00 -0.50 -1.83 0.00 0.00 0.00 179.25 177.57 3buy s GLU 89 N -3.33 0.31 0.18 0.00 1.03 -1.26 -5.13 118.70 110.50 3buy s GLU 89 Ca 0.05 0.04 -0.33 0.00 0.03 0.00 0.00 54.97 54.76 3buy s GLU 89 Cb 0.09 0.14 -0.15 0.00 -0.80 0.00 0.00 34.13 33.41 3buy s GLU 89 CO 0.51 -0.06 1.31 -2.30 -1.33 0.00 0.00 175.26 173.39 3buy n PRO 90 N 2.46 1.56 -3.83 -4.83 -0.02 -1.26 -4.90 135.00 124.18 3buy n PRO 90 Ca -0.16 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 3buy n PRO 90 Cb 0.58 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3buy n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3buy s LYS 91 N -0.16 3.51 -0.15 -0.52 2.20 -0.18 -4.94 119.74 119.49 3buy s LYS 91 Ca 0.73 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 3buy s LYS 91 Cb -0.78 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3buy s LYS 91 CO 0.49 0.76 -0.12 0.99 -0.36 0.00 0.00 175.35 177.12 3buy s THR 92 N -1.02 1.48 -0.21 3.43 2.01 -1.26 -0.26 115.64 119.80 3buy s THR 92 Ca 0.16 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3buy s THR 92 Cb -0.13 -1.44 -0.00 0.00 0.01 0.00 0.00 72.50 70.94 3buy s THR 92 CO 0.05 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 3buy s VAL 93 N 1.51 3.11 0.36 3.82 1.01 -0.76 -4.96 120.40 124.50 3buy s VAL 93 Ca 0.04 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3buy s VAL 93 Cb -0.13 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 3buy s VAL 93 CO -0.10 0.45 0.87 -0.31 0.00 0.00 0.00 175.10 176.01 3buy s TYR 94 N 1.42 3.42 0.06 5.22 1.51 -1.26 -1.40 117.35 126.31 3buy s TYR 94 Ca 0.05 1.50 -0.31 0.00 -1.01 0.00 0.00 57.07 57.31 3buy s TYR 94 Cb -0.14 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 38.91 3buy s TYR 94 CO -0.05 0.04 1.19 -0.46 -1.11 0.00 0.00 175.55 175.17 3buy s TRP 95 N -1.97 3.44 -0.15 2.71 -0.00 0.82 -4.84 118.94 118.96 3buy s TRP 95 Ca 0.56 1.31 0.00 0.00 -0.00 0.00 0.00 56.10 57.97 3buy s TRP 95 Cb -0.12 -3.41 0.02 0.00 -0.00 0.00 0.00 33.47 29.96 3buy s TRP 95 CO 0.17 -1.25 -0.12 0.34 -0.00 0.00 0.00 176.95 176.08 3buy s ASP 96 N 1.06 2.66 0.00 5.86 -1.08 -1.26 -4.76 116.67 119.15 3buy s ASP 96 Ca 0.59 -0.49 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 3buy s ASP 96 Cb -0.29 -1.12 0.67 0.00 -1.46 0.00 0.00 42.92 40.72 3buy s ASP 96 CO 0.29 -0.08 1.10 -2.11 0.52 0.00 0.00 175.17 174.90 3buy n ARG 97 N 4.80 0.36 -0.09 4.34 1.85 -1.26 -0.52 116.66 126.13 3buy n ARG 97 Ca -0.16 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.77 3buy n ARG 97 Cb 0.50 -1.49 0.12 0.00 -1.05 0.00 0.00 32.46 30.53 3buy n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3buy n ASP 98 N -0.99 2.61 0.00 2.89 8.00 -1.26 -4.93 116.55 122.87 3buy n ASP 98 Ca 0.08 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.82 3buy n ASP 98 Cb 0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3buy n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04