#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9w n TYR 2 N 0.00 0.00 -1.96 1.12 4.01 -1.26 -5.13 117.16 113.94 1y9w n TYR 2 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1y9w n TYR 2 Cb 0.00 0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.10 1y9w n TYR 2 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y9w s MET 3 N 0.00 2.91 -0.00 -0.72 0.23 -1.26 -5.06 119.30 115.41 1y9w s MET 3 Ca 0.00 1.79 0.02 0.00 -1.03 0.00 0.00 55.69 56.47 1y9w s MET 3 Cb 0.00 -1.93 -0.01 0.00 -1.53 0.00 0.00 34.83 31.37 1y9w s MET 3 CO 0.00 -1.24 -0.07 0.15 -2.03 0.00 0.00 175.02 171.82 1y9w s LYS 4 N -3.42 0.59 0.45 3.16 1.02 -1.26 -5.16 119.74 115.12 1y9w s LYS 4 Ca 0.76 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.47 1y9w s LYS 4 Cb -0.29 -0.56 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1y9w s LYS 4 CO 0.34 0.15 0.10 -3.38 -0.92 0.00 0.00 175.35 171.64 1y9w s HIS 5 N -0.28 1.80 -0.05 3.18 -3.43 -1.26 -5.15 115.29 110.09 1y9w s HIS 5 Ca 0.02 -1.22 0.05 0.00 -0.80 0.00 0.00 55.06 53.12 1y9w s HIS 5 Cb -0.03 -1.28 -0.02 0.00 -1.43 0.00 0.00 32.58 29.82 1y9w s HIS 5 CO -0.00 -0.17 -0.22 0.42 -2.00 0.00 0.00 174.74 172.77 1y9w s ILE 6 N -3.10 2.35 0.12 -5.38 1.01 -1.26 -5.13 121.20 109.82 1y9w s ILE 6 Ca 0.17 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1y9w s ILE 6 Cb 0.02 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1y9w s ILE 6 CO 0.11 0.57 0.08 -1.83 0.00 0.00 0.00 174.94 173.88 1y9w s GLU 7 N -0.33 0.91 0.40 2.79 -1.05 -1.26 -5.13 118.70 115.02 1y9w s GLU 7 Ca 0.02 -1.34 -0.26 0.00 -0.15 0.00 0.00 54.97 53.23 1y9w s GLU 7 Cb -0.12 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.74 1y9w s GLU 7 CO 0.02 -0.26 1.35 -0.80 0.95 0.00 0.00 175.26 176.52 1y9w s ASN 8 N -3.01 6.27 0.27 0.83 0.01 -1.26 -5.01 114.94 113.05 1y9w s ASN 8 Ca 0.19 2.75 0.04 0.00 -0.71 0.00 0.00 52.86 55.14 1y9w s ASN 8 Cb 0.07 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1y9w s ASN 8 CO -0.01 -0.89 0.41 -0.83 -1.51 0.00 0.00 177.10 174.27 1y9w s GLY 9 N -0.60 1.25 0.54 0.66 0.00 -1.26 -5.11 107.32 102.80 1y9w s GLY 9 Ca 0.56 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1y9w s GLY 9 CO 0.52 -1.16 0.77 -0.51 0.00 0.00 0.00 173.10 172.72 1y9w s THR 10 N -2.06 2.84 0.19 0.90 -4.23 -1.26 -4.87 115.64 107.15 1y9w s THR 10 Ca 0.36 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 1y9w s THR 10 Cb -0.09 -3.07 0.10 0.00 1.34 0.00 0.00 72.50 70.78 1y9w s THR 10 CO 0.31 -0.05 1.76 -0.09 -0.54 0.00 0.00 174.62 176.01 1y9w h ARG 11 N 0.08 0.42 -0.80 3.99 2.43 -1.99 0.29 114.38 118.80 1y9w h ARG 11 Ca -0.43 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1y9w h ARG 11 Cb 1.29 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1y9w h ARG 11 CO 0.53 0.28 0.53 -0.84 -1.51 0.00 0.00 179.97 178.96 1y9w h ILE 12 N 0.44 1.20 -0.25 1.20 3.07 -1.99 -0.66 117.51 120.51 1y9w h ILE 12 Ca 0.25 -0.37 -0.08 0.00 1.55 0.00 0.00 64.86 66.21 1y9w h ILE 12 Cb 0.23 0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.79 1y9w h ILE 12 CO -0.22 0.20 -0.18 -0.33 -1.05 0.00 0.00 178.15 176.56 1y9w h GLU 13 N 1.08 0.45 -0.21 0.16 5.08 -1.60 -0.90 114.58 118.63 1y9w h GLU 13 Ca 0.30 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1y9w h GLU 13 Cb -0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1y9w h GLU 13 CO -0.07 0.62 -0.25 0.78 -1.00 0.00 0.00 179.01 179.08 1y9w h GLY 14 N 0.96 0.43 1.95 -3.84 0.00 0.50 -1.27 103.07 101.80 1y9w h GLY 14 Ca 0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1y9w h GLY 14 CO 0.04 0.32 -0.65 -2.09 0.00 0.00 0.00 176.54 174.15 1y9w h GLU 15 N 0.36 0.05 -0.25 4.80 4.57 -0.50 -2.58 114.58 121.02 1y9w h GLU 15 Ca 0.05 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1y9w h GLU 15 Cb 0.64 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1y9w h GLU 15 CO 0.05 0.68 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.53 1y9w h TYR 16 N 0.04 0.59 -0.39 0.92 3.20 -0.54 -1.97 116.97 118.81 1y9w h TYR 16 Ca -0.01 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.77 1y9w h TYR 16 Cb 1.15 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1y9w h TYR 16 CO 0.01 0.76 0.14 0.82 -1.64 0.00 0.00 178.16 178.25 1y9w h ILE 17 N 0.24 0.88 -0.55 1.81 1.08 -1.17 0.43 117.51 120.24 1y9w h ILE 17 Ca 0.06 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1y9w h ILE 17 Cb 0.60 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1y9w h ILE 17 CO 0.03 0.05 0.28 0.50 -0.69 0.00 0.00 178.15 178.33 1y9w h LYS 18 N 0.30 0.53 -0.16 2.37 3.64 -1.35 -1.16 116.57 120.74 1y9w h LYS 18 Ca 0.18 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1y9w h LYS 18 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1y9w h LYS 18 CO -0.19 0.35 -0.52 -0.91 -2.27 0.00 0.00 179.45 175.91 1y9w h ASN 19 N 0.54 0.49 -0.24 4.20 2.35 -0.81 -1.24 115.58 120.88 1y9w h ASN 19 Ca 0.24 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1y9w h ASN 19 Cb 0.15 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1y9w h ASN 19 CO -0.17 0.93 -0.12 0.11 -1.65 0.00 0.00 177.43 176.53 1y9w h LYS 20 N 0.35 0.64 -0.40 0.81 1.79 -0.60 0.21 116.57 119.36 1y9w h LYS 20 Ca 0.01 -0.20 -0.13 0.00 -2.18 0.00 0.00 60.65 58.15 1y9w h LYS 20 Cb 1.04 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1y9w h LYS 20 CO 0.09 0.74 -0.25 0.28 -1.08 0.00 0.00 179.45 179.24 1y9w h VAL 21 N 0.58 1.28 -0.37 0.50 2.07 -0.97 -1.40 116.25 117.94 1y9w h VAL 21 Ca 0.10 -1.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.11 1y9w h VAL 21 Cb 0.55 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1y9w h VAL 21 CO 0.03 0.47 -0.21 0.40 0.02 0.00 0.00 177.57 178.28 1y9w h ILE 22 N 0.69 1.28 -0.18 4.57 2.04 -0.94 -1.34 117.51 123.63 1y9w h ILE 22 Ca 0.08 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1y9w h ILE 22 Cb 0.82 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1y9w h ILE 22 CO 0.07 0.45 0.06 -0.61 0.00 0.00 0.00 178.15 178.12 1y9w h GLN 23 N 0.60 0.14 -0.53 2.37 4.15 -0.53 -0.13 115.11 121.18 1y9w h GLN 23 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1y9w h GLN 23 Cb 0.77 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 1y9w h GLN 23 CO 0.06 0.09 0.27 -0.92 -1.93 0.00 0.00 178.83 176.41 1y9w h TYR 24 N 0.15 0.75 0.16 3.99 3.20 -1.21 -0.77 116.97 123.24 1y9w h TYR 24 Ca 0.08 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1y9w h TYR 24 Cb 0.04 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1y9w h TYR 24 CO -0.11 0.57 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.87 1y9w h ASN 25 N 0.71 -0.54 -0.77 -2.11 2.35 -0.91 -2.12 115.58 112.19 1y9w h ASN 25 Ca 0.18 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.08 1y9w h ASN 25 Cb 0.09 0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 1y9w h ASN 25 CO -0.03 -0.29 0.50 0.24 -1.65 0.00 0.00 177.43 176.21 1y9w h MET 26 N -0.41 0.71 0.00 0.81 2.86 -0.81 -1.52 114.93 116.58 1y9w h MET 26 Ca 0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1y9w h MET 26 Cb 0.40 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1y9w h MET 26 CO -0.07 0.47 -0.01 0.66 1.06 0.00 0.00 176.91 179.02 1y9w h SER 27 N 0.73 0.00 -0.25 1.22 4.64 -0.47 -2.93 113.55 116.50 1y9w h SER 27 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1y9w h SER 27 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1y9w h SER 27 CO -0.13 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.14 1y9w n ILE 28 N -3.11 1.28 -4.38 0.95 -5.35 -0.59 -5.00 119.36 103.16 1y9w n ILE 28 Ca -0.00 -1.23 -0.28 0.00 -0.27 0.00 0.00 62.75 60.97 1y9w n ILE 28 Cb 0.24 0.32 -0.12 0.00 -1.74 0.00 0.00 39.64 38.35 1y9w n ILE 28 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1y9w s LEU 29 N -1.43 2.49 0.52 7.28 1.43 -1.07 -5.09 118.68 122.80 1y9w s LEU 29 Ca 0.23 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1y9w s LEU 29 Cb 0.15 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1y9w s LEU 29 CO 0.11 0.15 0.87 0.42 0.23 0.00 0.00 176.35 178.12 1y9w s THR 30 N -1.39 4.81 0.48 5.49 -4.23 -1.26 -4.94 115.64 114.61 1y9w s THR 30 Ca 0.18 0.52 0.31 0.00 -1.18 0.00 0.00 61.69 61.53 1y9w s THR 30 Cb -0.09 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.25 1y9w s THR 30 CO 0.09 -0.89 2.17 0.44 -0.54 0.00 0.00 174.62 175.89 1y9w h ASP 31 N 0.24 0.00 -0.83 3.99 3.32 -1.96 -2.74 116.42 118.44 1y9w h ASP 31 Ca -0.46 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.77 1y9w h ASP 31 Cb 1.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1y9w h ASP 31 CO 0.62 0.06 0.56 -0.08 -1.72 0.00 0.00 179.24 178.67 1y9w h GLU 32 N 0.00 0.35 -0.02 3.56 4.81 -2.04 -0.97 114.58 120.26 1y9w h GLU 32 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1y9w h GLU 32 Cb 0.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1y9w h GLU 32 CO 0.01 0.23 -0.42 1.33 -0.73 0.00 0.00 179.01 179.43 1y9w n VAL 33 N -4.47 0.00 -1.37 0.32 0.24 -1.04 -4.74 118.33 107.27 1y9w n VAL 33 Ca 0.17 -0.29 -0.39 0.00 -2.04 0.00 0.00 64.34 61.79 1y9w n VAL 33 Cb 0.65 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.26 1y9w n VAL 33 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1y9w n LYS 34 N 0.05 3.59 -2.01 7.34 5.02 -0.37 -3.32 118.16 128.46 1y9w n LYS 34 Ca 0.09 -2.26 -0.42 0.00 -2.02 0.00 0.00 58.31 53.70 1y9w n LYS 34 Cb 0.45 -2.87 -0.03 0.00 -0.02 0.00 0.00 35.03 32.56 1y9w n LYS 34 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1y9w s GLN 35 N 2.30 4.24 0.15 1.97 0.74 -1.26 -4.90 119.66 122.89 1y9w s GLN 35 Ca 0.67 2.25 -0.32 0.00 0.05 0.00 0.00 55.36 58.01 1y9w s GLN 35 Cb 0.17 -3.38 -0.11 0.00 1.10 0.00 0.00 33.01 30.79 1y9w s GLN 35 CO -0.06 -0.62 1.78 -0.35 -0.55 0.00 0.00 175.29 175.49 1y9w n PRO 36 N 4.73 2.72 -1.65 1.67 -0.04 -1.26 -4.14 135.00 137.03 1y9w n PRO 36 Ca 0.14 0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 64.17 1y9w n PRO 36 Cb 0.41 -2.86 0.01 0.00 -0.04 0.00 0.00 33.50 31.02 1y9w n PRO 36 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1y9w n MET 37 N 4.94 1.66 -3.66 0.54 1.56 -1.26 -4.76 117.12 116.14 1y9w n MET 37 Ca 0.17 0.59 -0.11 0.00 -0.27 0.00 0.00 57.70 58.08 1y9w n MET 37 Cb 0.36 -2.19 -0.08 0.00 2.15 0.00 0.00 33.22 33.46 1y9w n MET 37 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1y9w s GLU 38 N -2.03 0.69 0.09 2.12 2.12 -0.69 -4.98 118.70 116.03 1y9w s GLU 38 Ca 0.61 0.99 -0.10 0.00 0.36 0.00 0.00 54.97 56.83 1y9w s GLU 38 Cb -0.55 0.24 -0.06 0.00 0.26 0.00 0.00 34.13 34.02 1y9w s GLU 38 CO 0.58 -0.12 0.43 -1.21 -0.54 0.00 0.00 175.26 174.40 1y9w s GLU 39 N 0.90 3.79 0.01 4.30 2.02 -1.26 0.54 118.70 128.99 1y9w s GLU 39 Ca -0.04 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1y9w s GLU 39 Cb -0.05 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1y9w s GLU 39 CO -0.08 0.54 -0.02 0.54 0.02 0.00 0.00 175.26 176.26 1y9w s VAL 40 N -1.42 0.11 -0.13 2.63 0.11 -0.03 -4.95 120.40 116.71 1y9w s VAL 40 Ca 0.34 -0.35 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1y9w s VAL 40 Cb -0.14 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1y9w s VAL 40 CO 0.18 -0.15 0.52 -0.94 -3.33 0.00 0.00 175.10 171.38 1y9w s SER 41 N -0.52 -0.50 0.03 3.54 1.04 -1.26 -0.58 113.70 115.45 1y9w s SER 41 Ca -0.05 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.24 1y9w s SER 41 Cb -0.04 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.88 1y9w s SER 41 CO -0.00 -0.33 -0.19 -0.76 0.98 0.00 0.00 173.24 172.94 1y9w s LEU 42 N -0.36 2.13 0.03 2.42 1.43 0.00 -4.98 118.68 119.35 1y9w s LEU 42 Ca -0.05 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1y9w s LEU 42 Cb -0.03 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1y9w s LEU 42 CO 0.03 0.16 -0.09 0.68 0.23 0.00 0.00 176.35 177.36 1y9w s VAL 43 N -0.70 0.68 -0.23 -1.59 -7.23 -1.26 -0.96 120.40 109.10 1y9w s VAL 43 Ca 0.06 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.35 1y9w s VAL 43 Cb -0.08 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1y9w s VAL 43 CO 0.01 -0.12 0.06 -0.69 -0.31 0.00 0.00 175.10 174.05 1y9w s VAL 44 N -0.87 4.38 0.33 1.32 1.01 0.13 -4.98 120.40 121.73 1y9w s VAL 44 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1y9w s VAL 44 Cb -0.07 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1y9w s VAL 44 CO 0.00 0.37 0.62 -1.59 0.00 0.00 0.00 175.10 174.50 1y9w s LYS 45 N 1.35 1.93 0.48 2.72 -2.85 -1.26 -1.23 119.74 120.88 1y9w s LYS 45 Ca 0.05 -1.43 0.06 0.00 -1.00 0.00 0.00 55.97 53.66 1y9w s LYS 45 Cb -0.15 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1y9w s LYS 45 CO 0.03 -0.86 0.34 0.54 0.10 0.00 0.00 175.35 175.50 1y9w s ASN 46 N -3.09 4.68 0.38 0.03 2.20 -1.01 -4.98 114.94 113.15 1y9w s ASN 46 Ca 0.21 -1.08 0.09 0.00 -0.94 0.00 0.00 52.86 51.14 1y9w s ASN 46 Cb -0.03 -0.05 0.85 0.00 -2.00 0.00 0.00 41.25 40.02 1y9w s ASN 46 CO 0.13 -0.85 1.93 -0.08 -2.94 0.00 0.00 177.10 175.29 1y9w h GLU 47 N 1.00 0.62 0.00 3.55 4.57 -2.03 -0.97 114.58 121.32 1y9w h GLU 47 Ca -0.40 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1y9w h GLU 47 Cb 1.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1y9w h GLU 47 CO 0.61 0.41 0.00 0.93 -1.18 0.00 0.00 179.01 179.78 1y9w h GLU 48 N 0.64 0.00 0.00 1.92 5.08 -2.06 -3.46 114.58 116.69 1y9w h GLU 48 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1y9w h GLU 48 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1y9w h GLU 48 CO -0.14 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 1y9w n GLY 49 N 0.02 1.08 3.71 -3.84 0.00 -0.37 -5.07 105.19 100.72 1y9w n GLY 49 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1y9w n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y9w s LYS 50 N -0.71 4.43 -0.36 1.61 2.20 -1.26 -4.85 119.74 120.79 1y9w s LYS 50 Ca 0.00 1.73 -0.15 0.00 -0.36 0.00 0.00 55.97 57.19 1y9w s LYS 50 Cb 0.00 -3.40 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1y9w s LYS 50 CO 0.00 -0.28 0.33 0.42 -0.36 0.00 0.00 175.35 175.47 1y9w s ILE 51 N 1.29 5.20 -0.24 5.43 1.01 -1.26 -2.40 121.20 130.23 1y9w s ILE 51 Ca 0.58 -0.16 0.22 0.00 0.00 0.00 0.00 60.65 61.29 1y9w s ILE 51 Cb -0.28 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1y9w s ILE 51 CO 0.28 -0.15 1.07 -0.26 0.00 0.00 0.00 174.94 175.89 1y9w h PHE 52 N 8.53 0.00 -1.31 3.97 0.04 -1.55 -3.45 116.94 123.16 1y9w h PHE 52 Ca -0.29 0.00 0.31 0.00 2.80 0.00 0.00 57.97 60.78 1y9w h PHE 52 Cb 1.14 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.12 1y9w h PHE 52 CO 0.66 0.02 0.88 0.20 -0.60 0.00 0.00 178.31 179.46 1y9w s GLY 53 N -4.37 -0.33 0.00 -1.45 0.00 -1.18 -0.39 107.32 99.61 1y9w s GLY 53 Ca -0.00 1.37 -0.30 0.00 0.00 0.00 0.00 44.72 45.79 1y9w s GLY 53 CO 0.78 0.41 1.13 -0.32 0.00 0.00 0.00 173.10 175.11 1y9w s GLY 54 N -2.44 -0.35 -0.12 0.20 0.00 0.39 -0.69 107.32 104.31 1y9w s GLY 54 Ca 0.12 0.74 -0.11 0.00 0.00 0.00 0.00 44.72 45.47 1y9w s GLY 54 CO -0.04 0.19 0.32 0.54 0.00 0.00 0.00 173.10 174.11 1y9w s VAL 55 N -2.75 -0.00 0.04 1.40 0.11 -0.13 -1.01 120.40 118.06 1y9w s VAL 55 Ca 0.12 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1y9w s VAL 55 Cb 0.01 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1y9w s VAL 55 CO -0.03 0.00 -0.10 0.42 -3.33 0.00 0.00 175.10 172.06 1y9w s THR 56 N 0.17 0.77 0.32 5.04 -4.23 0.32 -0.82 115.64 117.21 1y9w s THR 56 Ca -0.00 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 1y9w s THR 56 Cb -0.02 -0.76 0.03 0.00 1.34 0.00 0.00 72.50 73.08 1y9w s THR 56 CO 0.00 -0.23 0.72 -0.83 -0.54 0.00 0.00 174.62 173.74 1y9w s GLY 57 N -1.40 0.23 0.01 3.99 0.00 0.26 -0.72 107.32 109.68 1y9w s GLY 57 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1y9w s GLY 57 CO 0.01 -0.27 -0.08 -0.51 0.00 0.00 0.00 173.10 172.25 1y9w s THR 58 N -3.22 0.61 0.05 0.90 -4.23 -0.63 -0.85 115.64 108.27 1y9w s THR 58 Ca 0.15 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1y9w s THR 58 Cb -0.05 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1y9w s THR 58 CO 0.10 0.01 -0.12 -0.04 -0.54 0.00 0.00 174.62 174.02 1y9w s MET 59 N -0.63 2.23 0.00 3.99 -1.94 0.19 -1.58 119.30 121.56 1y9w s MET 59 Ca -0.00 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 1y9w s MET 59 Cb -0.05 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1y9w s MET 59 CO 0.00 0.55 0.00 2.48 -0.01 0.00 0.00 175.02 178.04 1y9w n TYR 60 N 1.28 0.00 -1.50 -0.03 4.11 -0.97 -1.70 117.16 118.36 1y9w n TYR 60 Ca -0.15 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.58 1y9w n TYR 60 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.79 1y9w n TYR 60 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1y9w n PHE 61 N -0.11 -0.12 -3.42 -3.48 3.72 -1.21 -1.58 117.46 111.26 1y9w n PHE 61 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1y9w n PHE 61 Cb 0.00 -3.10 0.09 0.00 -0.94 0.00 0.00 39.48 35.53 1y9w n PHE 61 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1y9w n TYR 62 N -2.18 -2.19 -3.75 1.38 4.01 -1.26 -4.91 117.16 108.26 1y9w n TYR 62 Ca -0.17 0.93 -0.11 0.00 -0.16 0.00 0.00 57.90 58.39 1y9w n TYR 62 Cb 0.59 -5.04 -0.07 0.00 -0.31 0.00 0.00 39.34 34.52 1y9w n TYR 62 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1y9w s HIS 63 N -3.36 -0.09 -0.17 -0.72 -3.43 -0.61 -1.91 115.29 104.99 1y9w s HIS 63 Ca 0.02 -0.11 -0.03 0.00 -0.80 0.00 0.00 55.06 54.14 1y9w s HIS 63 Cb -0.00 0.10 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 1y9w s HIS 63 CO 0.73 -0.54 -0.06 -1.17 -2.00 0.00 0.00 174.74 171.69 1y9w s LEU 64 N -2.28 2.98 -0.22 5.38 2.96 -0.12 -2.30 118.68 125.08 1y9w s LEU 64 Ca -0.02 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1y9w s LEU 64 Cb 0.00 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1y9w s LEU 64 CO -0.06 0.10 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.77 1y9w s HIS 65 N 0.75 2.98 -0.33 5.38 5.65 -0.62 -0.25 115.29 128.85 1y9w s HIS 65 Ca -0.03 -0.80 -0.26 0.00 0.25 0.00 0.00 55.06 54.23 1y9w s HIS 65 Cb -0.15 -2.11 0.01 0.00 -1.18 0.00 0.00 32.58 29.15 1y9w s HIS 65 CO 0.02 -0.47 0.90 0.42 -0.65 0.00 0.00 174.74 174.96 1y9w s ILE 66 N 1.41 4.65 -0.12 0.89 1.01 -0.21 -1.60 121.20 127.22 1y9w s ILE 66 Ca 0.05 1.30 -0.23 0.00 0.00 0.00 0.00 60.65 61.77 1y9w s ILE 66 Cb -0.14 -4.28 -0.26 0.00 0.01 0.00 0.00 42.46 37.78 1y9w s ILE 66 CO -0.01 -0.42 0.65 0.44 0.00 0.00 0.00 174.94 175.60 1y9w h ASP 67 N 8.26 0.18 -3.94 3.58 3.32 -1.26 -3.42 116.42 123.14 1y9w h ASP 67 Ca -0.23 -0.87 -0.16 0.00 0.02 0.00 0.00 57.03 55.79 1y9w h ASP 67 Cb 1.08 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 1y9w h ASP 67 CO 0.96 1.31 -0.42 -0.36 -1.72 0.00 0.00 179.24 179.00 1y9w s PHE 68 N -2.35 -0.25 -0.04 4.55 0.08 -0.98 -5.00 117.98 114.00 1y9w s PHE 68 Ca -0.20 0.60 -0.02 0.00 0.12 0.00 0.00 56.93 57.43 1y9w s PHE 68 Cb 0.01 0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.57 1y9w s PHE 68 CO 0.72 -0.15 0.04 -1.17 -0.10 0.00 0.00 175.22 174.56 1y9w s LEU 69 N -0.02 0.39 0.02 -0.37 0.20 -1.26 -0.52 118.68 117.11 1y9w s LEU 69 Ca -0.01 0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.85 1y9w s LEU 69 Cb -0.02 -0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 1y9w s LEU 69 CO 0.01 -0.22 -0.05 0.86 -0.29 0.00 0.00 176.35 176.66 1y9w s TRP 70 N 1.95 0.40 -0.03 5.38 -0.00 -0.18 -5.01 118.94 121.45 1y9w s TRP 70 Ca 0.03 -0.30 0.01 0.00 -0.00 0.00 0.00 56.10 55.83 1y9w s TRP 70 Cb -0.12 -0.25 0.02 0.00 -0.00 0.00 0.00 33.47 33.11 1y9w s TRP 70 CO -0.03 -0.07 -0.02 0.08 -0.00 0.00 0.00 176.95 176.91 1y9w s VAL 71 N -0.81 0.28 0.26 5.86 1.01 -1.26 -0.47 120.40 125.28 1y9w s VAL 71 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1y9w s VAL 71 Cb -0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 36.38 35.85 1y9w s VAL 71 CO -0.00 0.16 1.42 -0.67 0.00 0.00 0.00 175.10 176.00 1y9w n ASP 72 N 3.95 2.91 -0.08 3.32 -0.08 0.47 -4.84 116.55 122.20 1y9w n ASP 72 Ca -0.25 1.15 0.05 0.00 -1.51 0.00 0.00 54.79 54.24 1y9w n ASP 72 Cb 0.51 -1.46 0.40 0.00 2.34 0.00 0.00 41.12 42.92 1y9w n ASP 72 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1y9w h GLU 73 N 4.09 0.61 -0.05 -0.67 -0.00 -1.99 -1.91 114.58 114.66 1y9w h GLU 73 Ca -0.45 -0.04 0.01 0.00 -0.00 0.00 0.00 59.36 58.88 1y9w h GLU 73 Cb 1.27 -0.14 -0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1y9w h GLU 73 CO 0.75 0.41 0.14 0.66 -0.00 0.00 0.00 179.01 180.97 1y9w h SER 74 N 0.63 0.00 -0.45 3.06 4.64 -1.97 -2.38 113.55 117.09 1y9w h SER 74 Ca 0.22 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.23 1y9w h SER 74 Cb 0.10 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.81 1y9w h SER 74 CO -0.06 0.00 -0.98 1.33 -0.87 0.00 0.00 176.83 176.25 1y9w n VAL 75 N -3.28 1.56 0.92 0.95 0.24 -0.75 -4.85 118.33 113.13 1y9w n VAL 75 Ca -0.01 -3.10 0.11 0.00 -2.04 0.00 0.00 64.34 59.29 1y9w n VAL 75 Cb 0.22 0.44 0.52 0.00 -1.47 0.00 0.00 33.84 33.55 1y9w n VAL 75 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1y9w n ARG 76 N -0.54 0.19 -0.01 7.34 -4.01 -0.90 -2.88 116.66 115.86 1y9w n ARG 76 Ca 0.19 0.10 0.10 0.00 -1.04 0.00 0.00 57.85 57.20 1y9w n ARG 76 Cb 0.88 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 28.66 1y9w n ARG 76 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1y9w n HIS 77 N -1.37 0.00 1.08 2.89 8.25 -1.26 -4.46 115.22 120.35 1y9w n HIS 77 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1y9w n HIS 77 Cb 0.21 -0.32 0.51 0.00 1.12 0.00 0.00 29.99 31.51 1y9w n HIS 77 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1y9w n ASP 78 N -1.98 0.00 -1.32 0.41 8.00 -1.14 -4.88 116.55 115.64 1y9w n ASP 78 Ca -0.01 -0.54 -0.12 0.00 0.71 0.00 0.00 54.79 54.82 1y9w n ASP 78 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1y9w n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9w n GLY 79 N 0.08 0.05 0.14 0.44 0.00 -1.26 -4.92 105.19 99.72 1y9w n GLY 79 Ca 0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 1y9w n GLY 79 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1y9w h TYR 80 N 0.00 0.00 -0.40 1.61 0.05 -1.90 -2.90 116.97 113.43 1y9w h TYR 80 Ca -0.28 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.45 1y9w h TYR 80 Cb 1.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1y9w h TYR 80 CO 0.32 0.58 0.06 0.78 -1.05 0.00 0.00 178.16 178.86 1y9w h GLY 81 N 2.00 0.72 1.13 3.88 0.00 -1.92 -0.05 103.07 108.83 1y9w h GLY 81 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1y9w h GLY 81 CO 0.08 0.45 0.17 0.23 0.00 0.00 0.00 176.54 177.47 1y9w h SER 82 N 0.52 1.02 -0.42 0.19 0.87 -1.97 -1.49 113.55 112.27 1y9w h SER 82 Ca 0.12 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1y9w h SER 82 Cb 0.38 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1y9w h SER 82 CO 0.01 0.98 0.23 -0.61 -0.53 0.00 0.00 176.83 176.91 1y9w h GLN 83 N 1.03 0.59 -0.51 2.24 4.15 -1.27 -0.64 115.11 120.69 1y9w h GLN 83 Ca 0.22 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1y9w h GLN 83 Cb 0.36 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1y9w h GLN 83 CO 0.00 0.47 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.19 1y9w h LEU 84 N 0.55 0.98 0.07 -2.39 3.38 -0.77 -1.07 115.31 116.07 1y9w h LEU 84 Ca 0.15 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1y9w h LEU 84 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1y9w h LEU 84 CO -0.02 1.11 -0.03 0.25 0.09 0.00 0.00 178.44 179.83 1y9w h LEU 85 N 0.84 -0.08 -0.71 1.67 5.85 -1.10 0.23 115.31 122.02 1y9w h LEU 85 Ca 0.13 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1y9w h LEU 85 Cb 0.67 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1y9w h LEU 85 CO 0.05 0.16 0.41 -0.74 -0.34 0.00 0.00 178.44 177.99 1y9w h HIS 86 N -0.33 0.76 -0.59 1.25 2.76 -1.10 -1.50 115.15 116.40 1y9w h HIS 86 Ca -0.01 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 1y9w h HIS 86 Cb 0.29 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1y9w h HIS 86 CO 0.00 0.39 0.11 1.49 -1.30 0.00 0.00 177.93 178.62 1y9w h GLU 87 N 0.77 0.97 0.00 5.26 4.57 -1.00 -2.46 114.58 122.69 1y9w h GLU 87 Ca 0.31 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1y9w h GLU 87 Cb 0.15 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1y9w h GLU 87 CO -0.16 0.91 -0.37 0.97 -1.18 0.00 0.00 179.01 179.18 1y9w h ILE 88 N 0.88 0.71 -0.42 2.32 2.10 -0.61 -2.81 117.51 119.68 1y9w h ILE 88 Ca 0.18 -1.71 -0.08 0.00 1.08 0.00 0.00 64.86 64.33 1y9w h ILE 88 Cb 0.40 2.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 1y9w h ILE 88 CO 0.01 0.36 -0.05 -0.33 -1.08 0.00 0.00 178.15 177.06 1y9w h GLU 89 N 0.00 0.77 -0.74 2.19 5.08 -1.07 -1.82 114.58 119.00 1y9w h GLU 89 Ca -0.00 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1y9w h GLU 89 Cb 1.10 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1y9w h GLU 89 CO 0.05 0.87 0.45 0.78 -1.00 0.00 0.00 179.01 180.15 1y9w h GLY 90 N 0.60 1.08 1.17 -3.84 0.00 -1.32 0.33 103.07 101.09 1y9w h GLY 90 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1y9w h GLY 90 CO 0.03 0.24 0.37 -2.22 0.00 0.00 0.00 176.54 174.96 1y9w h ILE 91 N 0.84 1.24 -0.24 2.60 2.04 -1.25 0.59 117.51 123.33 1y9w h ILE 91 Ca 0.31 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1y9w h ILE 91 Cb 0.11 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1y9w h ILE 91 CO -0.15 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.26 1y9w h ALA 92 N 1.33 0.32 -0.99 1.87 0.00 -0.32 -2.13 119.26 119.35 1y9w h ALA 92 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1y9w h ALA 92 Cb 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1y9w h ALA 92 CO -0.03 0.08 0.65 -0.22 0.00 0.00 0.00 179.25 179.73 1y9w h LYS 93 N 0.19 1.28 -0.05 0.00 3.64 0.02 0.20 116.57 121.84 1y9w h LYS 93 Ca 0.06 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1y9w h LYS 93 Cb 0.46 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1y9w h LYS 93 CO 0.02 0.85 -0.35 1.49 -2.27 0.00 0.00 179.45 179.19 1y9w h GLU 94 N 1.32 0.09 -0.40 1.90 4.57 -0.70 -2.86 114.58 118.49 1y9w h GLU 94 Ca 0.37 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1y9w h GLU 94 Cb -0.12 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1y9w h GLU 94 CO -0.09 0.44 0.00 1.63 -1.18 0.00 0.00 179.01 179.81 1y9w n LYS 95 N -4.10 1.94 -0.57 1.92 5.02 -0.82 -4.89 118.16 116.66 1y9w n LYS 95 Ca -0.02 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1y9w n LYS 95 Cb 0.41 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1y9w n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9w n GLY 96 N 1.07 0.68 3.74 0.72 0.00 -1.08 -5.04 105.19 105.27 1y9w n GLY 96 Ca 0.13 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1y9w n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y9w n ARG 98 N 2.55 1.23 -3.85 0.00 1.74 -0.80 -4.41 116.66 113.11 1y9w n ARG 98 Ca 0.03 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 1y9w n ARG 98 Cb 0.46 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 1y9w n ARG 98 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1y9w s LEU 99 N -3.38 1.38 -0.06 0.55 2.96 -1.26 0.78 118.68 119.65 1y9w s LEU 99 Ca 0.00 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1y9w s LEU 99 Cb 0.11 0.94 0.02 0.00 0.50 0.00 0.00 46.19 47.76 1y9w s LEU 99 CO 0.65 -0.55 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.39 1y9w s ILE 100 N -2.53 1.03 0.07 6.68 1.01 -0.22 -0.95 121.20 126.28 1y9w s ILE 100 Ca -0.05 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.27 1y9w s ILE 100 Cb -0.01 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1y9w s ILE 100 CO -0.04 0.33 -0.24 -0.76 0.00 0.00 0.00 174.94 174.24 1y9w s LEU 101 N 0.75 2.21 -0.01 2.97 1.43 0.66 -1.88 118.68 124.80 1y9w s LEU 101 Ca -0.13 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.08 1y9w s LEU 101 Cb -0.15 -1.10 0.10 0.00 0.03 0.00 0.00 46.19 45.06 1y9w s LEU 101 CO 0.03 0.18 0.87 -1.48 0.23 0.00 0.00 176.35 176.17 1y9w s LEU 102 N -1.44 -0.40 0.14 1.79 0.05 -1.06 -1.04 118.68 116.72 1y9w s LEU 102 Ca 0.10 0.08 0.05 0.00 0.05 0.00 0.00 54.13 54.41 1y9w s LEU 102 Cb -0.10 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1y9w s LEU 102 CO 0.03 -0.62 -0.11 1.51 -0.55 0.00 0.00 176.35 176.61 1y9w s ASP 103 N -2.28 1.86 -0.15 1.48 -4.77 -1.26 -0.22 116.67 111.32 1y9w s ASP 103 Ca 0.03 -0.94 -0.08 0.00 -3.30 0.00 0.00 52.55 48.26 1y9w s ASP 103 Cb -0.01 -0.03 0.06 0.00 -1.09 0.00 0.00 42.92 41.85 1y9w s ASP 103 CO -0.07 -0.27 0.36 -0.55 0.70 0.00 0.00 175.17 175.34 1y9w s SER 104 N -2.93 -0.39 0.70 2.11 0.15 0.88 -4.97 113.70 109.25 1y9w s SER 104 Ca 0.14 0.80 -0.11 0.00 0.70 0.00 0.00 55.95 57.48 1y9w s SER 104 Cb -0.00 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1y9w s SER 104 CO 0.02 -0.19 1.06 -0.36 1.20 0.00 0.00 173.24 174.96 1y9w s PHE 105 N 1.51 3.08 0.52 3.44 0.08 -1.26 -0.32 117.98 125.03 1y9w s PHE 105 Ca -0.08 1.43 0.23 0.00 0.12 0.00 0.00 56.93 58.62 1y9w s PHE 105 Cb -0.09 -2.89 1.35 0.00 -0.57 0.00 0.00 43.02 40.82 1y9w s PHE 105 CO -0.12 -1.26 2.03 0.66 -0.10 0.00 0.00 175.22 176.43 1y9w h SER 106 N -0.72 0.02 -0.34 1.36 4.64 -0.89 0.00 113.55 117.62 1y9w h SER 106 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1y9w h SER 106 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1y9w h SER 106 CO 0.56 0.01 0.00 2.22 -0.87 0.00 0.00 176.83 178.75 1y9w n PHE 107 N -4.42 0.57 -1.66 4.77 1.16 -1.26 -3.95 117.46 112.68 1y9w n PHE 107 Ca 0.07 -0.26 0.02 0.00 -1.87 0.00 0.00 57.45 55.41 1y9w n PHE 107 Cb 0.49 -0.05 0.18 0.00 -1.61 0.00 0.00 39.48 38.49 1y9w n PHE 107 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1y9w n GLN 108 N 0.50 1.87 -3.53 3.97 6.02 -0.01 -5.03 117.38 121.18 1y9w n GLN 108 Ca 0.12 -3.43 -0.23 0.00 -0.01 0.00 0.00 57.00 53.45 1y9w n GLN 108 Cb 0.37 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 29.95 1y9w n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y9w n ALA 109 N -1.06 -2.57 0.29 -1.58 0.00 -1.25 -4.79 120.51 109.54 1y9w n ALA 109 Ca 0.22 -0.15 0.17 0.00 0.00 0.00 0.00 53.44 53.69 1y9w n ALA 109 Cb 0.73 -3.58 0.81 0.00 0.00 0.00 0.00 19.45 17.41 1y9w n ALA 109 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1y9w h PRO 110 N -1.21 0.00 0.00 0.00 0.13 -1.82 -1.80 132.00 127.30 1y9w h PRO 110 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1y9w h PRO 110 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1y9w h PRO 110 CO 0.43 0.04 0.00 1.05 -0.23 0.00 0.00 178.00 179.29 1y9w h GLU 111 N 0.00 0.00 -0.05 0.86 9.09 -1.96 -2.07 114.58 120.45 1y9w h GLU 111 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1y9w h GLU 111 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1y9w h GLU 111 CO 0.00 0.00 0.02 0.35 0.05 0.00 0.00 179.01 179.43 1y9w h PHE 112 N 0.00 0.08 -0.17 2.06 3.57 -1.68 -0.11 116.94 120.69 1y9w h PHE 112 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1y9w h PHE 112 Cb 0.43 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1y9w h PHE 112 CO 0.00 0.25 -0.47 1.88 -2.23 0.00 0.00 178.31 177.74 1y9w h TYR 113 N -0.11 0.54 -0.72 0.41 0.05 -1.61 -2.56 116.97 112.97 1y9w h TYR 113 Ca 0.02 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.60 1y9w h TYR 113 Cb 0.21 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1y9w h TYR 113 CO -0.01 0.83 0.34 -0.22 -1.05 0.00 0.00 178.16 178.05 1y9w h LYS 114 N 0.36 1.04 0.00 4.88 3.11 -1.26 -0.95 116.57 123.75 1y9w h LYS 114 Ca 0.02 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1y9w h LYS 114 Cb 0.96 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1y9w h LYS 114 CO 0.08 0.83 0.00 -0.22 -2.81 0.00 0.00 179.45 177.33 1y9w h LYS 115 N 1.01 0.00 -0.80 1.90 3.64 -0.79 -3.05 116.57 118.48 1y9w h LYS 115 Ca 0.25 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.21 1y9w h LYS 115 Cb 0.14 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.71 1y9w h LYS 115 CO -0.03 0.00 0.43 0.72 -2.27 0.00 0.00 179.45 178.30 1y9w n HIS 116 N -2.80 2.47 -0.96 1.91 8.25 -0.44 -4.92 115.22 118.73 1y9w n HIS 116 Ca 0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 57.72 55.70 1y9w n HIS 116 Cb 0.26 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1y9w n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y9w n GLY 117 N -1.12 0.50 3.80 -1.41 0.00 -1.15 -5.02 105.19 100.79 1y9w n GLY 117 Ca 0.52 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1y9w n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y9w s TYR 118 N -2.00 3.70 -0.20 1.61 2.02 -0.73 -4.74 117.35 117.02 1y9w s TYR 118 Ca 0.00 1.05 -0.08 0.00 -0.37 0.00 0.00 57.07 57.68 1y9w s TYR 118 Cb 0.00 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1y9w s TYR 118 CO 0.00 0.51 0.07 0.50 -1.57 0.00 0.00 175.55 175.06 1y9w s ARG 119 N -0.68 3.92 -0.24 -0.62 3.52 0.60 -4.36 118.95 121.10 1y9w s ARG 119 Ca 0.26 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1y9w s ARG 119 Cb -0.17 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1y9w s ARG 119 CO 0.14 0.17 1.31 -2.00 -0.81 0.00 0.00 175.30 174.11 1y9w s GLU 120 N 0.66 4.04 0.00 5.12 2.12 -1.26 -1.31 118.70 128.07 1y9w s GLU 120 Ca 0.04 1.45 0.19 0.00 0.36 0.00 0.00 54.97 57.01 1y9w s GLU 120 Cb -0.13 -3.84 -0.19 0.00 0.26 0.00 0.00 34.13 30.23 1y9w s GLU 120 CO 0.02 -0.95 0.84 2.48 -0.54 0.00 0.00 175.26 177.10 1y9w n TYR 121 N 7.24 0.00 -3.47 5.30 0.18 0.11 -4.98 117.16 121.54 1y9w n TYR 121 Ca 0.15 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.82 1y9w n TYR 121 Cb 0.46 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.40 1y9w n TYR 121 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1y9w s GLY 122 N -2.78 -0.53 -0.15 -7.48 0.00 -1.18 -5.02 107.32 90.17 1y9w s GLY 122 Ca 0.08 0.72 -0.11 0.00 0.00 0.00 0.00 44.72 45.42 1y9w s GLY 122 CO 0.77 0.24 0.38 0.54 0.00 0.00 0.00 173.10 175.03 1y9w s VAL 123 N -3.45 -0.02 -0.40 1.40 0.11 -1.26 -1.30 120.40 115.48 1y9w s VAL 123 Ca 0.03 0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1y9w s VAL 123 Cb -0.01 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.35 1y9w s VAL 123 CO -0.11 0.02 0.24 -0.69 -3.33 0.00 0.00 175.10 171.24 1y9w s VAL 124 N 0.86 4.37 0.50 2.04 1.01 -0.31 -4.98 120.40 123.89 1y9w s VAL 124 Ca -0.05 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 1y9w s VAL 124 Cb -0.06 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1y9w s VAL 124 CO -0.06 -0.40 1.07 -1.61 0.00 0.00 0.00 175.10 174.09 1y9w s GLU 125 N 1.48 3.65 -1.14 2.72 0.41 -1.26 -1.61 118.70 122.95 1y9w s GLU 125 Ca 0.02 1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 55.79 1y9w s GLU 125 Cb -0.22 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 1y9w s GLU 125 CO 0.04 -0.57 0.76 -3.47 -0.49 0.00 0.00 175.26 171.53 1y9w n ASP 126 N -1.07 -5.06 -3.53 -0.19 -0.08 -0.56 -4.94 116.55 101.12 1y9w n ASP 126 Ca 0.10 -1.08 0.00 0.00 -1.51 0.00 0.00 54.79 52.30 1y9w n ASP 126 Cb 0.52 -2.90 -0.03 0.00 2.34 0.00 0.00 41.12 41.05 1y9w n ASP 126 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1y9w s HIS 127 N -3.46 -1.36 1.10 -0.67 2.46 0.17 -4.02 115.29 109.52 1y9w s HIS 127 Ca 0.46 2.14 -0.14 0.00 0.47 0.00 0.00 55.06 58.00 1y9w s HIS 127 Cb -0.19 0.74 0.24 0.00 -0.13 0.00 0.00 32.58 33.24 1y9w s HIS 127 CO 0.89 -0.69 1.06 -1.25 -2.47 0.00 0.00 174.74 172.28 1y9w s PRO 128 N 2.87 -0.43 -0.08 2.88 0.04 -1.26 -3.10 135.00 135.92 1y9w s PRO 128 Ca -0.00 0.52 -0.38 0.00 0.04 0.00 0.00 61.00 61.18 1y9w s PRO 128 Cb -0.12 -1.64 -0.15 0.00 0.04 0.00 0.00 34.50 32.63 1y9w s PRO 128 CO -0.19 -3.31 1.59 1.17 0.04 0.00 0.00 177.00 176.30 1y9w n LYS 129 N -4.58 1.35 -0.27 4.56 4.81 -1.26 -0.62 118.16 122.15 1y9w n LYS 129 Ca 0.05 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1y9w n LYS 129 Cb 0.57 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1y9w n LYS 129 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y9w n GLY 130 N 3.51 0.69 1.45 3.14 0.00 -1.26 -5.04 105.19 107.68 1y9w n GLY 130 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1y9w n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y9w n HIS 131 N -2.06 -0.60 -3.90 1.61 8.25 0.21 -4.99 115.22 113.73 1y9w n HIS 131 Ca 0.00 -1.14 -0.09 0.00 -0.26 0.00 0.00 57.72 56.22 1y9w n HIS 131 Cb 0.00 0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1y9w n HIS 131 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1y9w s SER 132 N -2.00 0.06 -0.12 0.41 1.04 -1.18 0.45 113.70 112.36 1y9w s SER 132 Ca 0.15 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1y9w s SER 132 Cb 0.00 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1y9w s SER 132 CO 0.11 -0.83 -0.18 -1.58 0.98 0.00 0.00 173.24 171.74 1y9w s GLN 133 N -3.92 2.56 -0.17 4.02 0.74 -0.64 -0.13 119.66 122.13 1y9w s GLN 133 Ca 0.12 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.81 1y9w s GLN 133 Cb 0.04 -2.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.03 1y9w s GLN 133 CO -0.05 -0.02 -0.05 -1.01 -0.55 0.00 0.00 175.29 173.61 1y9w s HIS 134 N 0.85 2.97 -0.27 1.67 3.76 0.56 -1.17 115.29 123.66 1y9w s HIS 134 Ca -0.08 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.22 1y9w s HIS 134 Cb -0.15 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 1y9w s HIS 134 CO -0.01 -0.19 0.19 -0.06 -0.85 0.00 0.00 174.74 173.83 1y9w s PHE 135 N 0.63 3.25 0.26 1.40 0.08 -0.42 -0.08 117.98 123.09 1y9w s PHE 135 Ca -0.03 0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.27 1y9w s PHE 135 Cb -0.15 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1y9w s PHE 135 CO 0.02 -0.10 -0.00 -0.06 -0.10 0.00 0.00 175.22 174.98 1y9w s PHE 136 N 1.58 2.70 0.03 0.36 0.40 0.69 0.08 117.98 123.82 1y9w s PHE 136 Ca 0.07 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.05 1y9w s PHE 136 Cb -0.15 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1y9w s PHE 136 CO 0.09 0.62 0.30 -1.83 0.70 0.00 0.00 175.22 175.10 1y9w s GLU 137 N -3.64 0.77 -0.13 0.44 -1.05 -0.43 -2.55 118.70 112.10 1y9w s GLU 137 Ca 0.31 -0.42 -0.06 0.00 -0.15 0.00 0.00 54.97 54.66 1y9w s GLU 137 Cb -0.07 0.33 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 1y9w s GLU 137 CO 0.20 -0.24 0.29 0.21 0.95 0.00 0.00 175.26 176.67 1y9w s LYS 138 N -2.20 0.21 0.02 -4.83 2.20 -0.79 -0.29 119.74 114.05 1y9w s LYS 138 Ca -0.07 0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 56.04 1y9w s LYS 138 Cb -0.02 -0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 1y9w s LYS 138 CO -0.01 -0.23 0.65 1.03 -0.36 0.00 0.00 175.35 176.43 1y9w s ARG 139 N 2.00 4.38 0.00 4.03 1.81 -1.26 -1.06 118.95 128.84 1y9w s ARG 139 Ca -0.03 0.85 0.26 0.00 -1.72 0.00 0.00 55.73 55.08 1y9w s ARG 139 Cb -0.11 -3.34 0.53 0.00 -0.45 0.00 0.00 34.95 31.58 1y9w s ARG 139 CO -0.09 0.35 1.45 1.28 -0.68 0.00 0.00 175.30 177.61