#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smv s ALA 66 N 0.00 3.26 -0.15 4.61 0.00 -1.26 -4.46 121.76 123.75 1smv s ALA 66 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1smv s ALA 66 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1smv s ALA 66 CO 0.00 -0.29 -0.17 0.96 0.00 0.00 0.00 175.76 176.27 1smv s ILE 67 N 1.19 2.51 -0.14 0.00 -5.25 -0.37 -4.94 121.20 114.20 1smv s ILE 67 Ca 0.47 -0.82 -0.04 0.00 -0.99 0.00 0.00 60.65 59.27 1smv s ILE 67 Cb -0.20 -2.05 -0.03 0.00 2.95 0.00 0.00 42.46 43.13 1smv s ILE 67 CO 0.23 0.52 0.01 -0.89 -1.79 0.00 0.00 174.94 173.02 1smv s THR 68 N 0.83 4.30 0.02 8.37 2.01 -1.26 -0.60 115.64 129.31 1smv s THR 68 Ca -0.05 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1smv s THR 68 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1smv s THR 68 CO -0.01 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.54 1smv s VAL 69 N -0.05 1.74 -0.07 3.82 1.01 -0.56 -4.98 120.40 121.31 1smv s VAL 69 Ca 0.04 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1smv s VAL 69 Cb -0.13 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1smv s VAL 69 CO 0.02 0.34 -0.12 -0.76 0.00 0.00 0.00 175.10 174.57 1smv s LEU 70 N -0.91 1.62 -0.04 3.92 1.43 -1.26 -0.66 118.68 122.78 1smv s LEU 70 Ca 0.08 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1smv s LEU 70 Cb -0.09 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.39 1smv s LEU 70 CO 0.01 0.02 0.88 -2.28 0.23 0.00 0.00 176.35 175.22 1smv s HIS 71 N 0.74 -0.39 -0.08 0.29 2.46 -0.42 -5.01 115.29 112.88 1smv s HIS 71 Ca -0.13 0.41 0.02 0.00 0.47 0.00 0.00 55.06 55.83 1smv s HIS 71 Cb -0.16 0.50 0.01 0.00 -0.13 0.00 0.00 32.58 32.81 1smv s HIS 71 CO 0.03 -0.51 -0.12 0.00 -2.47 0.00 0.00 174.74 171.66 1smv s GLU 73 N 0.89 1.03 0.15 0.00 -1.05 -0.49 -4.96 118.70 114.27 1smv s GLU 73 Ca -0.10 -1.15 -0.31 0.00 -0.15 0.00 0.00 54.97 53.25 1smv s GLU 73 Cb -0.15 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 1smv s GLU 73 CO 0.01 -0.35 1.59 -1.17 0.95 0.00 0.00 175.26 176.28 1smv s LEU 74 N -2.95 4.37 -0.10 1.83 2.96 -1.26 -1.04 118.68 122.49 1smv s LEU 74 Ca 0.15 2.60 0.06 0.00 -0.22 0.00 0.00 54.13 56.71 1smv s LEU 74 Cb 0.04 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1smv s LEU 74 CO -0.03 -0.84 -0.02 1.07 -1.32 0.00 0.00 176.35 175.22 1smv n THR 75 N 4.11 0.66 -3.62 3.68 5.66 0.52 -4.61 114.28 120.69 1smv n THR 75 Ca 0.14 -0.35 -0.15 0.00 -3.05 0.00 0.00 64.05 60.64 1smv n THR 75 Cb 0.39 -0.81 -0.07 0.00 -1.55 0.00 0.00 70.33 68.28 1smv n THR 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1smv s ALA 76 N -2.23 -1.62 -0.12 1.79 0.00 -0.36 -4.83 121.76 114.38 1smv s ALA 76 Ca -0.09 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 1smv s ALA 76 Cb 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1smv s ALA 76 CO 0.35 -0.32 0.25 -1.21 0.00 0.00 0.00 175.76 174.83 1smv s GLU 77 N -0.13 3.93 -0.11 0.00 2.02 -1.26 0.31 118.70 123.46 1smv s GLU 77 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1smv s GLU 77 Cb -0.03 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 1smv s GLU 77 CO 0.03 0.51 -0.11 0.42 0.02 0.00 0.00 175.26 176.13 1smv s ILE 78 N -0.34 3.30 0.04 -1.63 -1.09 0.19 -4.95 121.20 116.73 1smv s ILE 78 Ca 0.17 -0.60 0.06 0.00 -2.23 0.00 0.00 60.65 58.05 1smv s ILE 78 Cb -0.13 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1smv s ILE 78 CO 0.05 0.55 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.30 1smv s GLY 79 N -0.07 0.95 -0.03 6.18 0.00 -1.26 -0.93 107.32 112.16 1smv s GLY 79 Ca -0.01 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.84 1smv s GLY 79 CO 0.03 -0.89 -0.25 0.54 0.00 0.00 0.00 173.10 172.53 1smv s VAL 80 N -0.82 2.10 0.27 1.40 0.11 0.96 -4.80 120.40 119.62 1smv s VAL 80 Ca 0.05 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1smv s VAL 80 Cb -0.08 -1.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1smv s VAL 80 CO 0.01 0.58 0.06 0.35 -3.33 0.00 0.00 175.10 172.77 1smv n THR 81 N 2.58 0.00 1.09 5.04 -2.24 -1.26 -1.17 114.28 118.32 1smv n THR 81 Ca -0.16 -1.44 0.04 0.00 -2.27 0.00 0.00 64.05 60.22 1smv n THR 81 Cb 0.51 0.43 0.11 0.00 -2.10 0.00 0.00 70.33 69.29 1smv n THR 81 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1smv n ASP 82 N -1.53 1.50 -4.14 3.42 5.75 0.80 -0.45 116.55 121.91 1smv n ASP 82 Ca -0.07 -2.04 -0.14 0.00 -0.01 0.00 0.00 54.79 52.53 1smv n ASP 82 Cb 0.38 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.14 1smv n ASP 82 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1smv s SER 83 N -0.90 1.24 0.26 -1.12 0.01 -1.26 -4.53 113.70 107.40 1smv s SER 83 Ca 0.17 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 1smv s SER 83 Cb 0.09 0.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.25 1smv s SER 83 CO 0.11 -0.25 1.38 -0.51 0.41 0.00 0.00 173.24 174.38 1smv s ILE 84 N -2.11 2.78 -0.22 1.44 2.07 -1.26 -4.39 121.20 119.50 1smv s ILE 84 Ca 0.00 0.68 -0.03 0.00 -1.41 0.00 0.00 60.65 59.89 1smv s ILE 84 Cb -0.05 -3.43 0.07 0.00 0.13 0.00 0.00 42.46 39.18 1smv s ILE 84 CO -0.00 0.12 0.07 -0.69 -1.91 0.00 0.00 174.94 172.53 1smv s VAL 85 N -0.26 0.32 -0.06 4.00 1.01 -0.83 -4.99 120.40 119.60 1smv s VAL 85 Ca 0.56 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1smv s VAL 85 Cb -0.40 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1smv s VAL 85 CO 0.45 -0.38 0.32 -0.69 0.00 0.00 0.00 175.10 174.80 1smv s VAL 86 N 1.93 5.21 0.18 2.92 1.01 -1.26 -2.35 120.40 128.04 1smv s VAL 86 Ca 0.03 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1smv s VAL 86 Cb -0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1smv s VAL 86 CO -0.15 0.55 0.16 -0.94 0.00 0.00 0.00 175.10 174.71 1smv s SER 87 N -0.73 0.16 0.02 3.32 1.04 -0.09 -5.01 113.70 112.42 1smv s SER 87 Ca 0.20 -1.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.27 1smv s SER 87 Cb -0.15 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1smv s SER 87 CO 0.09 -0.84 0.28 -0.94 0.98 0.00 0.00 173.24 172.81 1smv s SER 88 N -3.09 -0.11 -0.05 7.02 1.04 -1.26 -0.47 113.70 116.78 1smv s SER 88 Ca 0.30 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1smv s SER 88 Cb 0.06 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1smv s SER 88 CO 0.07 -0.55 -0.09 -0.70 0.98 0.00 0.00 173.24 172.95 1smv s GLU 89 N -2.15 1.31 0.27 4.02 2.12 -0.07 -4.95 118.70 119.25 1smv s GLU 89 Ca -0.08 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 1smv s GLU 89 Cb -0.02 -1.14 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 1smv s GLU 89 CO -0.01 0.02 1.18 -0.51 -0.54 0.00 0.00 175.26 175.39 1smv s LEU 90 N 0.64 4.50 -1.31 2.70 1.43 -1.26 -0.16 118.68 125.22 1smv s LEU 90 Ca -0.12 2.37 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 1smv s LEU 90 Cb -0.14 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.60 1smv s LEU 90 CO 0.02 -0.30 1.98 0.52 0.23 0.00 0.00 176.35 178.81 1smv n VAL 91 N 1.43 4.34 -4.10 -1.59 0.31 0.01 -4.33 118.33 114.39 1smv n VAL 91 Ca 0.01 -4.22 -0.15 0.00 -0.01 0.00 0.00 64.34 59.97 1smv n VAL 91 Cb 0.44 -2.36 -0.11 0.00 -0.91 0.00 0.00 33.84 30.89 1smv n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smv s MET 92 N 0.55 0.63 0.26 5.55 0.23 -1.26 -4.51 119.30 120.76 1smv s MET 92 Ca 0.42 -0.85 -0.11 0.00 -1.03 0.00 0.00 55.69 54.13 1smv s MET 92 Cb 0.11 -0.46 0.40 0.00 -1.53 0.00 0.00 34.83 33.35 1smv s MET 92 CO -0.02 0.09 1.55 -2.30 -2.03 0.00 0.00 175.02 172.31 1smv n PRO 93 N 1.33 -0.13 -0.35 3.16 -0.02 -1.26 -0.79 135.00 136.94 1smv n PRO 93 Ca -0.22 1.54 0.06 0.00 -2.02 0.00 0.00 63.50 62.86 1smv n PRO 93 Cb 0.55 -2.30 0.23 0.00 -0.02 0.00 0.00 33.50 31.96 1smv n PRO 93 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1smv h TYR 94 N 0.00 1.12 0.00 6.00 5.03 -1.87 -2.92 116.97 124.33 1smv h TYR 94 Ca 0.44 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.78 1smv h TYR 94 Cb 0.69 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1smv h TYR 94 CO -0.79 0.51 -1.54 0.25 -1.32 0.00 0.00 178.16 175.27 1smv n THR 95 N -4.55 0.15 -0.03 1.81 -2.24 0.03 -4.37 114.28 105.08 1smv n THR 95 Ca 0.17 -0.42 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1smv n THR 95 Cb 0.28 0.06 0.46 0.00 -2.10 0.00 0.00 70.33 69.04 1smv n THR 95 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1smv h VAL 96 N 0.00 1.02 0.00 2.28 2.07 -0.85 -3.46 116.25 117.30 1smv h VAL 96 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1smv h VAL 96 Cb 0.90 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1smv h VAL 96 CO 0.00 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1smv n GLY 97 N -1.49 1.42 0.22 2.17 0.00 -1.25 -4.47 105.19 101.79 1smv n GLY 97 Ca 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1smv n GLY 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1smv h THR 98 N 0.76 1.27 0.43 2.61 1.35 -1.86 -1.26 112.91 116.21 1smv h THR 98 Ca 0.00 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 1smv h THR 98 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1smv h THR 98 CO 0.00 0.41 -0.21 -0.25 -0.25 0.00 0.00 175.52 175.22 1smv h TRP 99 N 0.33 -0.53 -0.66 4.73 7.01 -1.95 -1.99 115.95 122.90 1smv h TRP 99 Ca 0.05 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.07 1smv h TRP 99 Cb 0.69 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.89 1smv h TRP 99 CO 0.02 -0.25 0.40 1.25 -2.79 0.00 0.00 178.44 177.07 1smv h LEU 100 N -0.74 0.65 -0.82 0.65 5.85 -1.87 -1.12 115.31 117.91 1smv h LEU 100 Ca -0.06 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.86 1smv h LEU 100 Cb 0.52 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 1smv h LEU 100 CO 0.10 0.45 0.25 -0.09 -0.34 0.00 0.00 178.44 178.80 1smv h ARG 101 N 0.78 0.28 -0.10 1.25 2.43 -1.05 0.18 114.38 118.16 1smv h ARG 101 Ca 0.27 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.19 1smv h ARG 101 Cb 0.04 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1smv h ARG 101 CO -0.12 0.19 -0.85 0.78 -1.51 0.00 0.00 179.97 178.46 1smv h GLY 102 N 0.29 0.79 0.86 2.80 0.00 -0.46 -3.19 103.07 104.15 1smv h GLY 102 Ca 0.49 -1.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.43 1smv h GLY 102 CO -0.56 1.06 -0.81 -0.39 0.00 0.00 0.00 176.54 175.84 1smv h VAL 103 N 0.46 1.42 0.00 4.60 -1.51 -0.38 -3.29 116.25 117.55 1smv h VAL 103 Ca -0.07 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1smv h VAL 103 Cb 1.49 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.45 1smv h VAL 103 CO 0.17 0.67 0.00 0.00 -1.23 0.00 0.00 177.57 177.18 1smv h ALA 104 N 0.24 1.00 0.00 5.19 0.00 -0.83 -2.22 119.26 122.64 1smv h ALA 104 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1smv h ALA 104 Cb 1.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1smv h ALA 104 CO 0.16 0.00 -0.15 0.38 0.00 0.00 0.00 179.25 179.64 1smv h ASP 105 N 0.00 0.00 0.00 0.00 2.03 -1.62 -2.42 116.42 114.42 1smv h ASP 105 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1smv h ASP 105 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1smv h ASP 105 CO 0.00 0.15 0.00 0.59 -1.03 0.00 0.00 179.24 178.95 1smv n ASN 106 N -3.74 0.00 -4.22 4.15 3.02 -0.84 -4.38 115.26 109.24 1smv n ASN 106 Ca -0.02 -1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 53.24 1smv n ASN 106 Cb 0.26 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 1smv n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1smv s TRP 107 N -2.00 1.51 0.03 3.10 0.51 -0.91 -1.22 118.94 119.96 1smv s TRP 107 Ca 0.29 -0.42 -0.17 0.00 -2.12 0.00 0.00 56.10 53.68 1smv s TRP 107 Cb 0.13 -0.85 -0.27 0.00 -0.81 0.00 0.00 33.47 31.66 1smv s TRP 107 CO 0.22 0.12 1.09 0.77 -0.51 0.00 0.00 176.95 178.64 1smv h SER 108 N 4.38 0.76 -4.69 2.95 0.02 -0.29 -3.44 113.55 113.25 1smv h SER 108 Ca -0.43 -0.81 -0.22 0.00 -0.84 0.00 0.00 61.79 59.50 1smv h SER 108 Cb 1.18 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 63.33 1smv h SER 108 CO 0.41 1.49 -0.69 -0.54 -1.14 0.00 0.00 176.83 176.36 1smv s LYS 109 N -3.02 0.84 0.25 3.45 1.02 -1.16 -1.55 119.74 119.57 1smv s LYS 109 Ca -0.11 -1.34 -0.04 0.00 0.02 0.00 0.00 55.97 54.50 1smv s LYS 109 Cb 0.05 -0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1smv s LYS 109 CO 0.90 -0.04 0.31 1.52 -0.92 0.00 0.00 175.35 177.12 1smv s TYR 110 N -3.67 0.96 -0.08 3.18 1.13 -0.24 -1.26 117.35 117.37 1smv s TYR 110 Ca 0.13 -1.19 -0.05 0.00 -1.41 0.00 0.00 57.07 54.55 1smv s TYR 110 Cb 0.06 -0.26 0.04 0.00 -1.10 0.00 0.00 41.96 40.69 1smv s TYR 110 CO -0.04 -0.86 0.19 0.45 -2.51 0.00 0.00 175.55 172.78 1smv s SER 111 N -3.15 -0.19 -0.15 -0.18 0.15 -0.48 -0.70 113.70 108.99 1smv s SER 111 Ca 0.33 0.41 -0.26 0.00 0.70 0.00 0.00 55.95 57.12 1smv s SER 111 Cb 0.03 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1smv s SER 111 CO 0.14 -0.13 0.86 0.26 1.20 0.00 0.00 173.24 175.57 1smv s TRP 112 N 0.90 3.44 -0.10 3.44 0.23 -1.26 -1.44 118.94 124.14 1smv s TRP 112 Ca -0.07 1.32 0.12 0.00 -2.03 0.00 0.00 56.10 55.44 1smv s TRP 112 Cb -0.08 -3.04 -0.24 0.00 0.03 0.00 0.00 33.47 30.15 1smv s TRP 112 CO -0.05 -0.23 0.43 1.28 0.96 0.00 0.00 176.95 179.34 1smv n LEU 113 N 5.14 0.89 -3.64 2.99 4.77 0.02 -4.92 117.00 122.25 1smv n LEU 113 Ca 0.05 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1smv n LEU 113 Cb 0.49 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1smv n LEU 113 CO 0.49 0.49 0.50 -0.55 -1.33 0.00 0.00 177.39 176.99 1smv s SER 114 N -6.03 -0.72 -0.04 -1.43 0.15 -0.96 -4.93 113.70 99.73 1smv s SER 114 Ca -0.09 1.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.79 1smv s SER 114 Cb 0.07 1.28 0.03 0.00 -1.71 0.00 0.00 66.02 65.70 1smv s SER 114 CO 0.81 -0.20 0.05 -0.69 1.20 0.00 0.00 173.24 174.40 1smv s VAL 115 N 1.01 -0.01 -0.04 4.45 1.01 -1.26 -0.91 120.40 124.65 1smv s VAL 115 Ca -0.05 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1smv s VAL 115 Cb -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1smv s VAL 115 CO -0.11 0.19 -0.03 -0.60 0.00 0.00 0.00 175.10 174.54 1smv s ARG 116 N 2.01 0.70 -0.20 2.72 3.52 -0.75 -0.96 118.95 125.99 1smv s ARG 116 Ca 0.03 -0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1smv s ARG 116 Cb -0.12 -0.78 -0.04 0.00 -1.56 0.00 0.00 34.95 32.45 1smv s ARG 116 CO -0.03 -0.12 0.08 0.71 -0.81 0.00 0.00 175.30 175.13 1smv s TYR 117 N 1.05 3.26 -0.06 5.12 1.51 0.04 -0.71 117.35 127.55 1smv s TYR 117 Ca -0.09 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1smv s TYR 117 Cb -0.14 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1smv s TYR 117 CO -0.01 0.11 -0.10 0.99 -1.11 0.00 0.00 175.55 175.44 1smv s THR 118 N 0.56 0.93 -0.10 -0.71 2.01 -0.23 -1.18 115.64 116.93 1smv s THR 118 Ca 0.04 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1smv s THR 118 Cb -0.13 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1smv s THR 118 CO 0.01 0.31 0.41 -0.47 -0.69 0.00 0.00 174.62 174.19 1smv s TYR 119 N 0.77 3.56 -0.10 4.92 5.04 -0.37 -0.84 117.35 130.33 1smv s TYR 119 Ca -0.13 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.38 1smv s TYR 119 Cb -0.15 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1smv s TYR 119 CO 0.02 0.32 -0.21 0.42 -1.34 0.00 0.00 175.55 174.76 1smv s ILE 120 N 0.11 1.85 0.65 3.14 -1.09 0.11 -4.49 121.20 121.48 1smv s ILE 120 Ca 0.23 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1smv s ILE 120 Cb -0.15 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1smv s ILE 120 CO 0.10 0.51 1.05 -2.16 -1.23 0.00 0.00 174.94 173.20 1smv s PRO 121 N 0.50 3.23 0.00 2.79 0.04 -1.26 -1.19 135.00 139.12 1smv s PRO 121 Ca -0.16 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1smv s PRO 121 Cb -0.17 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1smv s PRO 121 CO 0.06 -0.86 0.06 -1.13 0.04 0.00 0.00 177.00 175.17 1smv n SER 122 N -2.85 0.00 -5.01 6.66 3.41 -0.29 -4.87 113.62 110.68 1smv n SER 122 Ca 0.07 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.49 1smv n SER 122 Cb 0.54 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1smv n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smv s PRO 124 N -4.56 3.08 0.61 0.00 0.02 -1.26 -4.93 135.00 127.96 1smv s PRO 124 Ca 0.59 0.96 0.40 0.00 0.02 0.00 0.00 61.00 62.98 1smv s PRO 124 Cb -0.08 -2.01 2.09 0.00 0.02 0.00 0.00 34.50 34.53 1smv s PRO 124 CO 0.37 -0.99 2.22 0.66 -0.33 0.00 0.00 177.00 178.94 1smv h SER 125 N -0.49 0.00 -0.12 2.53 4.64 -1.99 -1.32 113.55 116.80 1smv h SER 125 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1smv h SER 125 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1smv h SER 125 CO 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 1smv n SER 126 N -2.99 0.83 -4.59 4.97 3.41 -1.26 -4.85 113.62 109.14 1smv n SER 126 Ca -0.02 -1.76 -0.43 0.00 -0.26 0.00 0.00 58.87 56.40 1smv n SER 126 Cb 0.12 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1smv n SER 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1smv s THR 127 N -1.84 4.56 0.37 6.66 2.01 -0.50 -5.03 115.64 121.87 1smv s THR 127 Ca 0.21 1.07 -0.23 0.00 0.31 0.00 0.00 61.69 63.05 1smv s THR 127 Cb 0.11 -4.36 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 1smv s THR 127 CO 0.16 -0.61 0.93 0.00 -0.69 0.00 0.00 174.62 174.41 1smv s ALA 128 N 3.54 3.14 0.00 7.40 0.00 -1.26 -4.52 121.76 130.05 1smv s ALA 128 Ca 0.38 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1smv s ALA 128 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1smv s ALA 128 CO 0.21 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1smv n GLY 129 N -0.09 4.28 3.07 0.00 0.00 -1.16 -4.21 105.19 107.09 1smv n GLY 129 Ca 0.04 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1smv n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smv s SER 130 N 0.00 0.93 0.00 1.61 1.04 -0.69 -1.57 113.70 115.03 1smv s SER 130 Ca 0.00 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 55.91 1smv s SER 130 Cb 0.00 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1smv s SER 130 CO 0.00 -0.21 -0.14 -0.51 0.98 0.00 0.00 173.24 173.36 1smv s ILE 131 N -1.46 3.07 -0.03 -1.02 2.07 -0.37 -2.58 121.20 120.88 1smv s ILE 131 Ca -0.09 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.23 1smv s ILE 131 Cb -0.09 -2.28 0.01 0.00 0.13 0.00 0.00 42.46 40.23 1smv s ILE 131 CO 0.00 0.43 -0.07 -1.00 -1.91 0.00 0.00 174.94 172.39 1smv s HIS 132 N -0.88 0.78 0.07 3.50 3.76 -0.09 -1.70 115.29 120.73 1smv s HIS 132 Ca 0.14 -0.19 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 1smv s HIS 132 Cb -0.11 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1smv s HIS 132 CO 0.04 -0.10 -0.10 -1.64 -0.85 0.00 0.00 174.74 172.09 1smv s MET 133 N 0.31 0.73 -0.01 1.40 -1.94 -0.51 -0.63 119.30 118.65 1smv s MET 133 Ca -0.04 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 52.67 1smv s MET 133 Cb -0.09 -0.53 0.11 0.00 2.01 0.00 0.00 34.83 36.33 1smv s MET 133 CO 0.00 0.10 1.08 0.20 -0.01 0.00 0.00 175.02 176.39 1smv s GLY 134 N -1.96 -0.35 0.11 -0.03 0.00 -0.72 -1.89 107.32 102.47 1smv s GLY 134 Ca -0.02 0.85 0.05 0.00 0.00 0.00 0.00 44.72 45.60 1smv s GLY 134 CO 0.01 0.24 0.03 -1.36 0.00 0.00 0.00 173.10 172.02 1smv s PHE 135 N -2.83 3.03 0.06 1.90 0.08 -0.49 -0.36 117.98 119.38 1smv s PHE 135 Ca 0.10 -0.02 0.07 0.00 0.12 0.00 0.00 56.93 57.20 1smv s PHE 135 Cb 0.00 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1smv s PHE 135 CO -0.04 0.50 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.75 1smv s GLN 136 N -2.50 1.10 0.00 0.44 -0.21 -0.26 -3.96 119.66 114.27 1smv s GLN 136 Ca 0.27 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.69 1smv s GLN 136 Cb -0.11 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.68 1smv s GLN 136 CO 0.20 0.29 0.07 0.66 -2.12 0.00 0.00 175.29 174.39 1smv n TYR 137 N 1.54 0.00 -4.02 0.91 4.02 -1.26 -1.03 117.16 117.32 1smv n TYR 137 Ca -0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.39 1smv n TYR 137 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.71 1smv n TYR 137 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1smv s ASP 138 N -0.79 4.62 0.64 7.72 2.15 -1.26 -4.80 116.67 124.95 1smv s ASP 138 Ca 0.00 -1.89 0.24 0.00 0.43 0.00 0.00 52.55 51.34 1smv s ASP 138 Cb 0.00 -1.56 1.28 0.00 -0.30 0.00 0.00 42.92 42.34 1smv s ASP 138 CO 0.00 -0.32 1.72 0.24 -0.17 0.00 0.00 175.17 176.64 1smv h MET 139 N 7.69 0.00 0.00 4.34 2.86 -1.91 0.20 114.93 128.10 1smv h MET 139 Ca -0.09 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1smv h MET 139 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1smv h MET 139 CO 0.50 0.00 -0.22 0.00 1.06 0.00 0.00 176.91 178.25 1smv h ALA 140 N 1.09 0.95 -2.82 6.32 0.00 -1.94 -3.45 119.26 119.42 1smv h ALA 140 Ca 0.08 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 1smv h ALA 140 Cb 1.14 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 19.00 1smv h ALA 140 CO -0.00 0.28 0.49 -0.51 0.00 0.00 0.00 179.25 179.50 1smv s ASP 141 N -6.18 5.41 0.31 0.00 1.01 0.69 -4.96 116.67 112.95 1smv s ASP 141 Ca 0.02 2.41 -0.29 0.00 0.71 0.00 0.00 52.55 55.40 1smv s ASP 141 Cb 0.09 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1smv s ASP 141 CO 0.65 -1.44 1.19 -0.89 0.21 0.00 0.00 175.17 174.88 1smv s THR 142 N -1.56 3.15 0.18 -1.27 2.01 -1.26 -4.98 115.64 111.91 1smv s THR 142 Ca 0.74 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 1smv s THR 142 Cb -0.31 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1smv s THR 142 CO 0.35 0.25 1.26 -0.69 -0.69 0.00 0.00 174.62 175.10 1smv s VAL 143 N -1.19 3.43 0.15 3.82 1.01 -1.26 -4.91 120.40 121.45 1smv s VAL 143 Ca 0.48 1.17 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 1smv s VAL 143 Cb -0.35 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 1smv s VAL 143 CO 0.45 0.17 1.03 -2.65 0.00 0.00 0.00 175.10 174.11 1smv n PRO 144 N 2.72 0.76 -0.01 2.72 -0.02 -1.26 -4.89 135.00 135.02 1smv n PRO 144 Ca 0.06 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 1smv n PRO 144 Cb 0.44 -1.68 -0.17 0.00 -0.02 0.00 0.00 33.50 32.07 1smv n PRO 144 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1smv n VAL 145 N 1.21 0.02 -4.36 -1.45 3.14 -1.26 -4.97 118.33 110.66 1smv n VAL 145 Ca 0.16 -0.51 -0.19 0.00 -2.96 0.00 0.00 64.34 60.85 1smv n VAL 145 Cb 0.22 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 32.89 1smv n VAL 145 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1smv s SER 146 N -4.54 2.59 0.45 6.55 1.04 -1.26 -5.01 113.70 113.52 1smv s SER 146 Ca -0.08 -1.07 0.30 0.00 0.48 0.00 0.00 55.95 55.58 1smv s SER 146 Cb 0.14 -0.14 1.15 0.00 0.10 0.00 0.00 66.02 67.27 1smv s SER 146 CO 0.91 -0.22 1.87 1.62 0.98 0.00 0.00 173.24 178.39 1smv h VAL 147 N 2.49 0.00 0.61 5.02 3.04 -1.99 -2.79 116.25 122.63 1smv h VAL 147 Ca -0.38 -0.48 -0.03 0.00 -1.01 0.00 0.00 66.70 64.80 1smv h VAL 147 Cb 1.22 1.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1smv h VAL 147 CO 0.63 0.00 -0.29 0.78 -1.01 0.00 0.00 177.57 177.68 1smv h ASN 148 N 0.00 -0.69 -0.90 3.17 4.21 -2.00 -1.59 115.58 117.77 1smv h ASN 148 Ca 0.00 -0.03 0.11 0.00 1.21 0.00 0.00 56.30 57.59 1smv h ASN 148 Cb 0.53 0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.84 1smv h ASN 148 CO 0.00 -0.38 0.58 0.11 -1.29 0.00 0.00 177.43 176.45 1smv h LYS 149 N -1.01 0.83 -0.90 0.81 1.57 -1.95 -0.62 116.57 115.30 1smv h LYS 149 Ca -0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1smv h LYS 149 Cb 0.68 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1smv h LYS 149 CO 0.14 0.55 0.59 1.25 -0.57 0.00 0.00 179.45 181.41 1smv h LEU 150 N 0.86 1.04 0.00 2.94 5.85 -1.23 -2.14 115.31 122.62 1smv h LEU 150 Ca 0.43 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1smv h LEU 150 Cb 0.48 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1smv h LEU 150 CO -0.19 0.76 0.00 -1.54 -0.34 0.00 0.00 178.44 177.12 1smv n SER 151 N -4.39 0.00 0.08 1.25 3.41 -0.24 -1.79 113.62 111.94 1smv n SER 151 Ca 0.10 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.85 1smv n SER 151 Cb 0.02 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1smv n SER 151 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1smv n ASN 152 N -1.25 0.82 -4.73 4.04 5.03 -0.80 -4.93 115.26 113.43 1smv n ASN 152 Ca 0.06 0.32 -0.32 0.00 0.87 0.00 0.00 54.58 55.51 1smv n ASN 152 Cb 0.09 0.45 0.10 0.00 -1.02 0.00 0.00 39.78 39.41 1smv n ASN 152 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1smv s LEU 153 N -5.41 3.12 0.22 3.41 1.43 -0.74 -4.98 118.68 115.73 1smv s LEU 153 Ca -0.01 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1smv s LEU 153 Cb 0.10 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.67 1smv s LEU 153 CO 0.80 -2.31 1.19 -0.60 0.23 0.00 0.00 176.35 175.66 1smv s ARG 154 N -4.43 4.51 0.00 1.70 3.52 -1.25 -3.25 118.95 119.75 1smv s ARG 154 Ca 0.67 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1smv s ARG 154 Cb -0.22 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1smv s ARG 154 CO 0.51 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.38 1smv n GLY 155 N 1.86 0.59 3.72 8.12 0.00 -1.26 -1.40 105.19 116.81 1smv n GLY 155 Ca 0.03 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1smv n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1smv n TYR 156 N -2.78 2.69 -3.78 1.61 9.36 -1.20 -4.49 117.16 118.57 1smv n TYR 156 Ca 0.00 0.16 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 1smv n TYR 156 Cb 0.00 -2.62 -0.11 0.00 -0.63 0.00 0.00 39.34 35.98 1smv n TYR 156 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1smv s VAL 157 N 0.67 0.01 -0.04 2.97 -7.23 -0.79 -5.00 120.40 110.99 1smv s VAL 157 Ca 0.72 -0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.78 1smv s VAL 157 Cb -0.53 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.01 1smv s VAL 157 CO 0.39 -0.05 0.08 -0.55 -0.31 0.00 0.00 175.10 174.67 1smv s SER 158 N -0.09 0.43 0.27 4.85 0.15 -1.26 -1.43 113.70 116.62 1smv s SER 158 Ca -0.02 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.80 1smv s SER 158 Cb -0.03 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1smv s SER 158 CO 0.01 -0.18 0.09 0.61 1.20 0.00 0.00 173.24 174.96 1smv n GLY 159 N 4.68 3.56 3.45 9.45 0.00 -0.69 -4.98 105.19 120.66 1smv n GLY 159 Ca -0.17 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 1smv n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smv s GLN 160 N -3.01 3.57 0.57 1.61 -0.21 -1.26 -1.24 119.66 119.68 1smv s GLN 160 Ca 0.12 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 54.99 1smv s GLN 160 Cb 0.01 -2.86 0.33 0.00 1.00 0.00 0.00 33.01 31.48 1smv s GLN 160 CO 0.09 0.18 1.13 -0.39 -2.12 0.00 0.00 175.29 174.18 1smv h VAL 161 N 5.28 0.00 -0.00 1.09 -1.51 -1.57 0.50 116.25 120.04 1smv h VAL 161 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1smv h VAL 161 Cb 1.19 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1smv h VAL 161 CO 0.61 0.00 -0.94 -2.67 -1.23 0.00 0.00 177.57 173.34 1smv n TRP 162 N -2.38 0.00 -2.89 5.19 4.27 -1.26 -4.57 117.44 115.79 1smv n TRP 162 Ca -0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 1smv n TRP 162 Cb 0.79 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.82 1smv n TRP 162 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1smv s SER 163 N -2.87 4.85 0.00 -0.67 1.04 0.16 -4.80 113.70 111.41 1smv s SER 163 Ca 0.08 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1smv s SER 163 Cb 0.15 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1smv s SER 163 CO 0.81 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1smv n GLY 164 N -2.44 0.78 0.40 7.32 0.00 -1.25 -4.25 105.19 105.75 1smv n GLY 164 Ca 0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.37 1smv n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1smv h SER 165 N 0.00 0.49 0.00 1.61 0.02 -1.86 0.11 113.55 113.92 1smv h SER 165 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1smv h SER 165 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1smv h SER 165 CO 0.00 0.15 0.05 0.00 -1.14 0.00 0.00 176.83 175.89 1smv h ALA 166 N 1.62 1.05 0.00 3.77 0.00 -1.91 0.03 119.26 123.81 1smv h ALA 166 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1smv h ALA 166 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1smv h ALA 166 CO -0.27 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.35 1smv n GLY 167 N -1.17 -1.19 0.35 0.00 0.00 0.38 -3.21 105.19 100.36 1smv n GLY 167 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1smv n GLY 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1smv h LEU 168 N 0.00 0.18 -1.48 0.99 5.85 -1.16 0.33 115.31 120.02 1smv h LEU 168 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1smv h LEU 168 Cb 0.35 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1smv h LEU 168 CO 0.00 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 1smv h PHE 170 N 0.00 0.00 0.08 0.00 0.04 -1.19 -2.95 116.94 112.93 1smv h PHE 170 Ca 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1smv h PHE 170 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1smv h PHE 170 CO 0.00 0.51 -1.32 0.82 -0.60 0.00 0.00 178.31 177.72 1smv h ILE 171 N 0.00 1.38 -0.19 -0.55 2.04 -1.11 -3.36 117.51 115.72 1smv h ILE 171 Ca -0.03 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 62.80 1smv h ILE 171 Cb 1.41 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.31 1smv h ILE 171 CO 0.06 0.86 0.00 -0.46 0.00 0.00 0.00 178.15 178.61 1smv n ASN 172 N -3.42 3.17 0.00 1.72 2.04 -1.07 -4.79 115.26 112.91 1smv n ASN 172 Ca -0.10 -2.74 0.00 0.00 -0.44 0.00 0.00 54.58 51.30 1smv n ASN 172 Cb 1.01 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 1smv n ASN 172 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1smv n ASN 173 N -0.53 0.00 -4.69 0.53 0.23 -1.11 -4.95 115.26 104.74 1smv n ASN 173 Ca 0.16 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.89 1smv n ASN 173 Cb 0.68 -2.01 0.14 0.00 -2.08 0.00 0.00 39.78 36.52 1smv n ASN 173 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1smv s SER 174 N -1.61 3.31 0.15 0.53 1.04 -1.24 -4.86 113.70 111.03 1smv s SER 174 Ca 0.00 2.26 -0.31 0.00 0.48 0.00 0.00 55.95 58.37 1smv s SER 174 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1smv s SER 174 CO 0.00 -2.85 1.71 0.00 0.98 0.00 0.00 173.24 173.08 1smv s ARG 175 N -4.41 4.16 0.20 4.02 1.70 -1.26 -4.76 118.95 118.60 1smv s ARG 175 Ca 0.70 2.51 -0.30 0.00 -0.47 0.00 0.00 55.73 58.17 1smv s ARG 175 Cb -0.25 -3.33 -0.08 0.00 -0.57 0.00 0.00 34.95 30.72 1smv s ARG 175 CO 0.54 -0.75 0.96 0.00 -1.08 0.00 0.00 175.30 174.98 1smv n SER 177 N 1.86 0.00 -4.32 0.00 2.88 -1.26 -4.94 113.62 107.85 1smv n SER 177 Ca -0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.17 1smv n SER 177 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 1smv n SER 177 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1smv s ASP 178 N -1.00 4.85 -0.17 -3.46 2.15 -1.26 -4.96 116.67 112.82 1smv s ASP 178 Ca 0.00 -0.67 0.16 0.00 0.43 0.00 0.00 52.55 52.47 1smv s ASP 178 Cb 0.00 -1.82 0.68 0.00 -0.30 0.00 0.00 42.92 41.48 1smv s ASP 178 CO 0.00 -0.15 1.60 0.35 -0.17 0.00 0.00 175.17 176.80 1smv n THR 179 N 4.82 2.22 0.34 1.71 -2.24 -1.26 -4.50 114.28 115.36 1smv n THR 179 Ca -0.15 -1.43 0.09 0.00 -2.27 0.00 0.00 64.05 60.28 1smv n THR 179 Cb 0.48 -0.08 0.39 0.00 -2.10 0.00 0.00 70.33 69.02 1smv n THR 179 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1smv n SER 180 N 0.50 0.36 -0.66 3.42 3.41 -1.26 -1.64 113.62 117.75 1smv n SER 180 Ca 0.24 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.55 1smv n SER 180 Cb 0.97 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1smv n SER 180 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1smv n THR 181 N -1.92 0.00 -2.81 6.66 -2.24 -1.26 -4.96 114.28 107.75 1smv n THR 181 Ca 0.02 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 1smv n THR 181 Cb 0.15 1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1smv n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smv s ALA 182 N -1.57 3.26 -1.04 6.98 0.00 -0.65 -3.92 121.76 124.82 1smv s ALA 182 Ca 0.20 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1smv s ALA 182 Cb 0.15 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 20.21 1smv s ALA 182 CO 0.26 -0.05 1.27 0.42 0.00 0.00 0.00 175.76 177.66 1smv s ILE 183 N 0.27 4.77 0.01 0.00 1.01 -1.26 -4.95 121.20 121.05 1smv s ILE 183 Ca 0.45 -1.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.19 1smv s ILE 183 Cb -0.22 -4.86 -0.01 0.00 0.01 0.00 0.00 42.46 37.38 1smv s ILE 183 CO 0.27 -1.59 -0.02 -0.55 0.00 0.00 0.00 174.94 173.05 1smv s SER 184 N 3.45 0.16 0.05 3.58 0.15 -1.26 -1.24 113.70 118.59 1smv s SER 184 Ca 0.38 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.63 1smv s SER 184 Cb -0.03 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1smv s SER 184 CO -0.06 -0.21 0.12 0.28 1.20 0.00 0.00 173.24 174.58 1smv s THR 185 N -0.99 0.14 0.16 6.45 -1.32 -0.32 -4.97 115.64 114.78 1smv s THR 185 Ca -0.11 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.29 1smv s THR 185 Cb -0.07 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1smv s THR 185 CO -0.01 -0.63 -0.15 0.42 -2.21 0.00 0.00 174.62 172.04 1smv s THR 186 N -2.97 1.54 -0.05 5.08 -4.23 -1.26 -0.78 115.64 112.97 1smv s THR 186 Ca -0.02 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 1smv s THR 186 Cb 0.01 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1smv s THR 186 CO -0.06 -0.49 0.57 -0.22 -0.54 0.00 0.00 174.62 173.88 1smv s LEU 187 N -2.85 4.36 -1.41 4.79 2.96 -0.14 -4.92 118.68 121.47 1smv s LEU 187 Ca 0.15 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 54.97 1smv s LEU 187 Cb -0.03 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1smv s LEU 187 CO 0.05 0.05 2.27 -0.90 -1.32 0.00 0.00 176.35 176.49 1smv n ASP 188 N 3.14 4.22 -0.52 3.68 5.75 -1.26 -4.63 116.55 126.94 1smv n ASP 188 Ca -0.06 -2.80 0.42 0.00 -0.01 0.00 0.00 54.79 52.34 1smv n ASP 188 Cb 0.51 -1.60 0.72 0.00 -1.03 0.00 0.00 41.12 39.73 1smv n ASP 188 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1smv h VAL 189 N 3.94 0.12 0.00 2.12 -1.51 -1.92 0.81 116.25 119.82 1smv h VAL 189 Ca 0.59 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 66.01 1smv h VAL 189 Cb 0.60 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1smv h VAL 189 CO 1.88 0.01 -0.12 0.77 -1.23 0.00 0.00 177.57 178.88 1smv h SER 190 N 0.05 0.00 -0.31 4.19 4.64 -1.93 -3.01 113.55 117.18 1smv h SER 190 Ca 0.83 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.15 1smv h SER 190 Cb 2.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.03 1smv h SER 190 CO -0.23 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.23 1smv n GLU 191 N -3.16 2.39 -1.00 4.77 -0.58 0.27 -4.92 120.64 118.40 1smv n GLU 191 Ca 0.02 -2.08 -0.31 0.00 -0.42 0.00 0.00 57.16 54.37 1smv n GLU 191 Cb 0.49 -1.49 0.14 0.00 -0.57 0.00 0.00 31.44 30.00 1smv n GLU 191 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1smv s LEU 192 N -1.58 2.72 0.00 -4.62 1.02 -1.14 -4.93 118.68 110.15 1smv s LEU 192 Ca 0.37 1.89 0.12 0.00 0.02 0.00 0.00 54.13 56.53 1smv s LEU 192 Cb 0.22 -4.39 0.47 0.00 0.02 0.00 0.00 46.19 42.51 1smv s LEU 192 CO 0.31 -2.65 1.34 0.61 0.02 0.00 0.00 176.35 175.98 1smv n GLY 193 N -0.55 0.00 3.59 -3.19 0.00 -1.26 -4.89 105.19 98.89 1smv n GLY 193 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1smv n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1smv s LYS 194 N -1.75 0.35 -0.21 1.61 2.20 -1.26 -5.09 119.74 115.59 1smv s LYS 194 Ca 0.22 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1smv s LYS 194 Cb 0.11 0.16 -0.17 0.00 -1.51 0.00 0.00 37.83 36.42 1smv s LYS 194 CO 0.16 -0.15 -0.10 0.36 -0.36 0.00 0.00 175.35 175.26 1smv n LYS 195 N -0.08 0.78 -3.62 4.03 -0.00 -1.26 -4.90 118.16 113.11 1smv n LYS 195 Ca -0.00 0.08 -0.40 0.00 -0.00 0.00 0.00 58.31 57.99 1smv n LYS 195 Cb 0.58 -1.45 -0.11 0.00 -0.00 0.00 0.00 35.03 34.05 1smv n LYS 195 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1smv s TRP 196 N -2.44 3.21 0.23 5.58 0.52 -1.26 -4.13 118.94 120.65 1smv s TRP 196 Ca -0.22 -0.72 0.07 0.00 0.02 0.00 0.00 56.10 55.25 1smv s TRP 196 Cb 0.07 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 1smv s TRP 196 CO 0.60 -0.54 0.15 0.71 0.02 0.00 0.00 176.95 177.89 1smv s TYR 197 N 1.60 3.06 0.18 -1.98 1.51 0.12 -4.89 117.35 116.94 1smv s TYR 197 Ca 0.04 -0.11 -0.17 0.00 -1.01 0.00 0.00 57.07 55.82 1smv s TYR 197 Cb -0.18 -1.40 -0.08 0.00 -0.11 0.00 0.00 41.96 40.19 1smv s TYR 197 CO 0.07 0.53 0.64 -1.25 -1.11 0.00 0.00 175.55 174.42 1smv s PRO 198 N -3.62 4.12 0.01 -1.71 0.04 -1.26 -1.08 135.00 131.49 1smv s PRO 198 Ca 0.32 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1smv s PRO 198 Cb -0.08 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 1smv s PRO 198 CO 0.24 0.44 1.38 -0.47 0.04 0.00 0.00 177.00 178.63 1smv s TYR 199 N -1.48 2.92 0.07 0.56 6.14 -0.60 -4.90 117.35 120.06 1smv s TYR 199 Ca 0.40 0.86 0.08 0.00 0.64 0.00 0.00 57.07 59.05 1smv s TYR 199 Cb -0.16 -3.64 -0.03 0.00 0.42 0.00 0.00 41.96 38.55 1smv s TYR 199 CO 0.20 -2.35 -0.21 0.15 0.64 0.00 0.00 175.55 173.98 1smv s LYS 200 N 2.25 1.30 0.18 4.97 -0.14 -1.26 -4.56 119.74 122.48 1smv s LYS 200 Ca 0.63 -1.03 -0.10 0.00 -1.36 0.00 0.00 55.97 54.11 1smv s LYS 200 Cb -0.31 -1.48 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 1smv s LYS 200 CO 0.27 0.37 0.50 0.95 -0.76 0.00 0.00 175.35 176.67 1smv s THR 201 N -0.93 4.98 0.47 2.17 -4.23 -1.26 -4.49 115.64 112.34 1smv s THR 201 Ca 0.07 0.46 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 1smv s THR 201 Cb -0.09 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.37 1smv s THR 201 CO 0.03 0.05 2.10 0.77 -0.54 0.00 0.00 174.62 177.03 1smv h SER 202 N 2.93 0.20 0.33 3.99 4.64 -1.99 -1.71 113.55 121.95 1smv h SER 202 Ca -0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1smv h SER 202 Cb 1.18 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1smv h SER 202 CO 0.69 0.16 -0.26 0.00 -0.87 0.00 0.00 176.83 176.54 1smv h ALA 203 N 1.88 -0.59 -0.78 5.18 0.00 -1.99 0.69 119.26 123.65 1smv h ALA 203 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1smv h ALA 203 Cb -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1smv h ALA 203 CO -0.01 -0.86 0.35 0.22 0.00 0.00 0.00 179.25 178.95 1smv h ASP 204 N -0.60 1.03 -0.10 0.00 3.58 -1.87 -2.32 116.42 116.15 1smv h ASP 204 Ca -0.02 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.32 1smv h ASP 204 Cb 0.53 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1smv h ASP 204 CO -0.01 0.89 -0.05 0.22 -2.88 0.00 0.00 179.24 177.40 1smv h TYR 205 N 1.11 -0.12 -0.61 0.28 3.20 -0.86 -1.97 116.97 118.00 1smv h TYR 205 Ca 0.27 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.26 1smv h TYR 205 Cb 0.15 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.40 1smv h TYR 205 CO 0.02 -0.08 0.13 0.00 -1.64 0.00 0.00 178.16 176.59 1smv h ALA 206 N 1.04 0.73 0.03 1.82 0.00 -0.39 0.12 119.26 122.61 1smv h ALA 206 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1smv h ALA 206 Cb 0.13 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1smv h ALA 206 CO -0.13 -0.31 -0.03 1.15 0.00 0.00 0.00 179.25 179.93 1smv h THR 207 N 0.26 0.92 0.06 0.00 2.02 -1.02 0.75 112.91 115.90 1smv h THR 207 Ca 0.32 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.52 1smv h THR 207 Cb 0.49 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1smv h THR 207 CO -0.41 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.26 1smv h ALA 208 N 0.90 -0.34 -0.02 6.16 0.00 -0.47 -0.23 119.26 125.26 1smv h ALA 208 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1smv h ALA 208 Cb 0.07 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1smv h ALA 208 CO -0.01 -0.74 0.02 0.28 0.00 0.00 0.00 179.25 178.80 1smv h VAL 209 N -0.39 0.59 -0.20 0.00 2.07 -0.68 -0.88 116.25 116.76 1smv h VAL 209 Ca 0.04 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 1smv h VAL 209 Cb 0.43 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1smv h VAL 209 CO -0.16 0.00 -0.34 1.23 0.02 0.00 0.00 177.57 178.32 1smv h GLY 210 N 0.00 0.46 0.48 2.17 0.00 0.10 -3.00 103.07 103.28 1smv h GLY 210 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1smv h GLY 210 CO -0.00 0.38 -0.02 -2.08 0.00 0.00 0.00 176.54 174.82 1smv h VAL 211 N 0.37 1.43 -1.34 4.60 2.07 -0.84 -3.46 116.25 119.07 1smv h VAL 211 Ca 0.04 -1.30 0.14 0.00 0.82 0.00 0.00 66.70 66.40 1smv h VAL 211 Cb 0.77 2.28 -0.25 0.00 -1.52 0.00 0.00 31.29 32.57 1smv h VAL 211 CO 0.06 0.34 0.28 -0.62 0.02 0.00 0.00 177.57 177.66 1smv s ASP 212 N -5.80 -0.58 0.54 0.57 2.15 -0.97 -5.04 116.67 107.55 1smv s ASP 212 Ca -0.16 0.85 0.27 0.00 0.43 0.00 0.00 52.55 53.94 1smv s ASP 212 Cb 0.01 1.46 1.44 0.00 -0.30 0.00 0.00 42.92 45.53 1smv s ASP 212 CO 0.69 -0.13 1.98 -0.37 -0.17 0.00 0.00 175.17 177.16 1smv h VAL 213 N 5.26 0.64 0.00 1.11 -1.51 -1.78 -1.10 116.25 118.88 1smv h VAL 213 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1smv h VAL 213 Cb 1.16 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1smv h VAL 213 CO 0.14 0.00 0.00 0.78 -1.23 0.00 0.00 177.57 177.26 1smv h ASN 214 N 0.00 0.00 0.86 4.19 2.35 -1.92 0.19 115.58 121.25 1smv h ASN 214 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1smv h ASN 214 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1smv h ASN 214 CO -0.00 0.00 0.00 0.40 -1.65 0.00 0.00 177.43 176.18 1smv h ILE 215 N 0.00 0.00 -0.10 2.81 2.04 -1.50 -2.61 117.51 118.15 1smv h ILE 215 Ca 0.00 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 1smv h ILE 215 Cb 0.03 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1smv h ILE 215 CO 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 178.15 177.57 1smv h ALA 216 N 2.20 0.84 -0.74 1.87 0.00 -0.80 -3.20 119.26 119.42 1smv h ALA 216 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1smv h ALA 216 Cb 0.43 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1smv h ALA 216 CO 0.00 0.71 0.33 1.15 0.00 0.00 0.00 179.25 181.44 1smv h THR 217 N 0.23 0.75 0.00 0.00 2.02 -1.60 0.30 112.91 114.61 1smv h THR 217 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1smv h THR 217 Cb 1.08 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1smv h THR 217 CO 0.09 0.10 0.00 0.44 0.37 0.00 0.00 175.52 176.52 1smv h ASP 218 N 0.52 0.00 0.00 4.18 3.32 -1.73 -3.34 116.42 119.37 1smv h ASP 218 Ca 0.39 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.15 1smv h ASP 218 Cb 0.51 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 1smv h ASP 218 CO -0.34 0.00 -2.22 0.18 -1.72 0.00 0.00 179.24 175.14 1smv n LEU 219 N -2.41 0.00 -3.97 1.55 4.32 0.93 -4.80 117.00 112.62 1smv n LEU 219 Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.85 1smv n LEU 219 Cb 0.26 0.39 -0.15 0.00 -1.62 0.00 0.00 43.42 42.31 1smv n LEU 219 CO 0.22 0.39 -0.41 0.54 -1.22 0.00 0.00 177.39 176.91 1smv s VAL 220 N -2.59 0.47 0.13 4.08 0.11 -0.53 -4.56 120.40 117.52 1smv s VAL 220 Ca -0.09 -0.25 -0.12 0.00 -2.93 0.00 0.00 61.98 58.60 1smv s VAL 220 Cb 0.07 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1smv s VAL 220 CO 0.77 0.14 1.42 1.55 -3.33 0.00 0.00 175.10 175.65 1smv h PRO 221 N 6.05 0.90 0.00 1.54 0.13 -1.88 -3.44 132.00 135.30 1smv h PRO 221 Ca -0.29 -0.55 0.09 0.00 -0.87 0.00 0.00 66.00 64.39 1smv h PRO 221 Cb 1.19 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1smv h PRO 221 CO 0.50 1.19 0.48 0.00 -0.23 0.00 0.00 178.00 179.94 1smv n ALA 222 N -2.57 -2.34 -3.11 -0.56 0.00 -1.26 -4.80 120.51 105.87 1smv n ALA 222 Ca -0.04 -1.08 -0.15 0.00 0.00 0.00 0.00 53.44 52.17 1smv n ALA 222 Cb 0.61 0.70 -0.15 0.00 0.00 0.00 0.00 19.45 20.61 1smv n ALA 222 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1smv s ARG 223 N -2.06 0.26 -0.35 0.00 3.52 -0.20 -0.81 118.95 119.31 1smv s ARG 223 Ca 0.20 -0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.63 1smv s ARG 223 Cb -0.03 -0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.03 1smv s ARG 223 CO 0.07 -0.00 0.24 -1.17 -0.81 0.00 0.00 175.30 173.64 1smv s LEU 224 N 0.29 4.57 -0.13 -0.88 1.98 0.78 -1.10 118.68 124.19 1smv s LEU 224 Ca -0.03 -0.49 -0.15 0.00 -2.89 0.00 0.00 54.13 50.57 1smv s LEU 224 Cb -0.05 -2.13 -0.05 0.00 0.66 0.00 0.00 46.19 44.62 1smv s LEU 224 CO -0.01 -0.26 0.37 -0.69 -1.89 0.00 0.00 176.35 173.87 1smv s VAL 225 N 1.71 5.24 0.02 1.68 1.01 0.52 -0.89 120.40 129.69 1smv s VAL 225 Ca 0.06 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.83 1smv s VAL 225 Cb -0.18 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1smv s VAL 225 CO 0.10 0.39 -0.22 -0.63 0.00 0.00 0.00 175.10 174.73 1smv s ILE 226 N 0.37 1.79 -0.02 2.22 1.01 0.38 -1.76 121.20 125.19 1smv s ILE 226 Ca 0.20 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1smv s ILE 226 Cb -0.14 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.82 1smv s ILE 226 CO 0.07 0.35 -0.01 0.00 0.00 0.00 0.00 174.94 175.35 1smv s ALA 227 N -0.69 0.31 -0.07 9.38 0.00 0.20 -0.91 121.76 129.98 1smv s ALA 227 Ca 0.09 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1smv s ALA 227 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1smv s ALA 227 CO 0.01 -0.03 -0.14 -0.51 0.00 0.00 0.00 175.76 175.08 1smv s LEU 228 N 0.73 1.74 0.00 0.00 1.02 -0.99 -0.91 118.68 120.27 1smv s LEU 228 Ca -0.07 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.74 1smv s LEU 228 Cb -0.11 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.20 1smv s LEU 228 CO -0.01 0.06 0.00 0.00 0.02 0.00 0.00 176.35 176.42 1smv n LEU 229 N 3.68 0.00 -0.40 1.79 -0.00 -1.07 -1.96 117.00 119.05 1smv n LEU 229 Ca -0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.74 1smv n LEU 229 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 1smv n LEU 229 CO 0.26 0.00 -0.05 0.47 -0.00 0.00 0.00 177.39 178.07 1smv n ASP 230 N -0.71 -5.14 -3.22 1.45 8.00 -1.25 -1.70 116.55 113.98 1smv n ASP 230 Ca 0.00 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.42 1smv n ASP 230 Cb 0.00 -3.09 0.17 0.00 -0.02 0.00 0.00 41.12 38.18 1smv n ASP 230 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smv n GLY 231 N -0.34 -2.63 0.13 0.44 0.00 0.40 -2.98 105.19 100.21 1smv n GLY 231 Ca -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.51 1smv n GLY 231 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smv n SER 232 N -4.26 0.97 -4.35 1.61 3.41 -1.26 -4.13 113.62 105.61 1smv n SER 232 Ca 0.10 -0.98 -0.29 0.00 -0.26 0.00 0.00 58.87 57.44 1smv n SER 232 Cb 0.40 0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 64.60 1smv n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1smv s SER 233 N -0.82 3.16 0.41 4.04 0.15 -1.26 -4.85 113.70 114.53 1smv s SER 233 Ca 0.04 -0.64 0.28 0.00 0.70 0.00 0.00 55.95 56.34 1smv s SER 233 Cb 0.04 -0.26 1.04 0.00 -1.71 0.00 0.00 66.02 65.13 1smv s SER 233 CO 0.11 0.23 1.83 0.28 1.20 0.00 0.00 173.24 176.89 1smv h SER 234 N 4.51 0.00 -3.46 5.45 0.02 -1.94 0.23 113.55 118.37 1smv h SER 234 Ca -0.48 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.81 1smv h SER 234 Cb 1.15 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.50 1smv h SER 234 CO 0.42 0.00 -0.67 0.28 -1.14 0.00 0.00 176.83 175.73 1smv s THR 235 N -3.44 3.93 0.20 -2.27 -1.32 -1.26 -4.77 115.64 106.71 1smv s THR 235 Ca 0.04 -0.38 -0.32 0.00 -1.21 0.00 0.00 61.69 59.82 1smv s THR 235 Cb 0.09 -2.66 -0.15 0.00 -1.51 0.00 0.00 72.50 68.27 1smv s THR 235 CO 0.52 0.57 1.20 0.00 -2.21 0.00 0.00 174.62 174.70 1smv n ALA 236 N 2.63 -0.29 -3.07 11.08 0.00 -1.26 -4.73 120.51 124.86 1smv n ALA 236 Ca -0.18 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 1smv n ALA 236 Cb 0.53 -2.08 -0.17 0.00 0.00 0.00 0.00 19.45 17.73 1smv n ALA 236 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1smv s VAL 237 N -0.27 2.04 -0.05 0.00 1.01 -0.32 -4.86 120.40 117.94 1smv s VAL 237 Ca 0.70 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1smv s VAL 237 Cb -0.79 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 1smv s VAL 237 CO 0.53 0.56 1.93 0.00 0.00 0.00 0.00 175.10 178.12 1smv s ALA 238 N 0.19 3.39 -0.23 5.51 0.00 -1.26 -0.03 121.76 129.32 1smv s ALA 238 Ca -0.14 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 1smv s ALA 238 Cb -0.17 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 18.98 1smv s ALA 238 CO 0.07 -1.82 -0.35 0.00 0.00 0.00 0.00 175.76 173.66 1smv n ALA 239 N 8.38 1.13 -3.00 0.00 0.00 -0.11 -4.43 120.51 122.48 1smv n ALA 239 Ca 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1smv n ALA 239 Cb 0.42 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1smv n ALA 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smv n GLY 240 N 1.38 1.26 2.99 0.00 0.00 -0.98 -1.13 105.19 108.71 1smv n GLY 240 Ca -0.38 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1smv n GLY 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smv s ARG 241 N 1.19 0.33 -0.21 1.61 0.52 -0.33 0.55 118.95 122.62 1smv s ARG 241 Ca 0.00 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1smv s ARG 241 Cb 0.00 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1smv s ARG 241 CO 0.00 -0.06 0.02 0.42 0.02 0.00 0.00 175.30 175.70 1smv s ILE 242 N -1.58 4.09 0.09 1.52 1.01 0.15 -0.72 121.20 125.76 1smv s ILE 242 Ca -0.15 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1smv s ILE 242 Cb -0.09 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1smv s ILE 242 CO -0.01 0.41 -0.03 -0.31 0.00 0.00 0.00 174.94 175.00 1smv s TYR 243 N 1.09 2.93 -0.11 3.97 1.51 -0.02 -0.35 117.35 126.36 1smv s TYR 243 Ca 0.03 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1smv s TYR 243 Cb -0.14 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1smv s TYR 243 CO 0.02 0.47 -0.17 0.34 -1.11 0.00 0.00 175.55 175.09 1smv s ASP 244 N -2.26 3.69 -0.23 2.29 2.15 -0.20 -1.06 116.67 121.04 1smv s ASP 244 Ca 0.24 -0.39 0.02 0.00 0.43 0.00 0.00 52.55 52.85 1smv s ASP 244 Cb -0.12 -1.44 0.04 0.00 -0.30 0.00 0.00 42.92 41.11 1smv s ASP 244 CO 0.17 0.19 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.33 1smv s THR 245 N 0.22 2.18 0.18 1.71 2.01 0.11 -1.39 115.64 120.66 1smv s THR 245 Ca -0.11 -1.36 0.04 0.00 0.31 0.00 0.00 61.69 60.57 1smv s THR 245 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1smv s THR 245 CO 0.06 0.17 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.38 1smv s TYR 246 N 1.18 1.37 -0.09 4.92 -0.85 0.31 -1.81 117.35 122.38 1smv s TYR 246 Ca -0.04 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1smv s TYR 246 Cb -0.17 -0.73 0.02 0.00 0.38 0.00 0.00 41.96 41.45 1smv s TYR 246 CO -0.08 0.04 -0.11 0.99 -1.52 0.00 0.00 175.55 174.87 1smv s THR 247 N -3.36 1.13 0.06 -3.49 2.01 -0.09 -1.31 115.64 110.59 1smv s THR 247 Ca 0.21 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1smv s THR 247 Cb 0.04 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1smv s THR 247 CO 0.03 0.37 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.73 1smv s ILE 248 N 1.15 0.74 -0.15 1.82 2.07 0.16 -0.80 121.20 126.19 1smv s ILE 248 Ca -0.05 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 57.98 1smv s ILE 248 Cb -0.14 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 1smv s ILE 248 CO -0.02 -0.37 -0.14 -1.10 -1.91 0.00 0.00 174.94 171.40 1smv s GLN 249 N -1.78 3.28 -0.07 3.50 -0.21 -0.52 -1.49 119.66 122.37 1smv s GLN 249 Ca -0.06 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 54.64 1smv s GLN 249 Cb -0.09 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.26 1smv s GLN 249 CO 0.01 0.08 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.45 1smv s MET 250 N 0.66 2.67 0.28 2.91 -1.94 0.23 -1.38 119.30 122.73 1smv s MET 250 Ca -0.07 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1smv s MET 250 Cb -0.16 -2.35 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 1smv s MET 250 CO 0.02 0.47 0.09 0.96 -0.01 0.00 0.00 175.02 176.55 1smv s ILE 251 N -0.35 0.70 -0.31 2.53 -4.36 -0.39 -1.24 121.20 117.78 1smv s ILE 251 Ca 0.03 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.14 1smv s ILE 251 Cb -0.12 -2.67 0.04 0.00 1.25 0.00 0.00 42.46 40.96 1smv s ILE 251 CO 0.02 0.00 0.46 -1.84 0.24 0.00 0.00 174.94 173.82 1smv n GLU 252 N -0.52 -1.41 -0.75 0.37 0.28 -1.26 -2.42 120.64 114.92 1smv n GLU 252 Ca -0.00 1.21 -0.32 0.00 -0.16 0.00 0.00 57.16 57.88 1smv n GLU 252 Cb 0.66 -1.67 0.14 0.00 1.43 0.00 0.00 31.44 32.00 1smv n GLU 252 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1smv n PRO 253 N 0.28 -0.57 -3.48 3.44 -0.02 -1.26 -0.28 135.00 133.11 1smv n PRO 253 Ca -0.06 -0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.17 1smv n PRO 253 Cb 0.63 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1smv n PRO 253 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1smv s THR 254 N -2.40 0.00 0.26 3.45 -1.32 -0.36 -4.62 115.64 110.64 1smv s THR 254 Ca 0.58 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.77 1smv s THR 254 Cb -0.20 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.70 1smv s THR 254 CO 0.66 0.00 1.19 0.00 -2.21 0.00 0.00 174.62 174.26 1smv s ALA 255 N -2.66 3.45 0.38 11.08 0.00 -1.26 -4.40 121.76 128.35 1smv s ALA 255 Ca -0.01 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1smv s ALA 255 Cb -0.01 -3.40 0.78 0.00 0.00 0.00 0.00 23.12 20.49 1smv s ALA 255 CO -0.05 -0.35 1.94 0.66 0.00 0.00 0.00 175.76 177.96 1smv h SER 256 N 4.28 0.32 -0.13 0.00 4.64 -1.89 -2.84 113.55 117.93 1smv h SER 256 Ca -0.46 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1smv h SER 256 Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1smv h SER 256 CO 0.70 0.40 0.19 0.00 -0.87 0.00 0.00 176.83 177.25 1smv h ALA 257 N 1.64 1.62 0.00 5.18 0.00 -1.90 -0.13 119.26 125.66 1smv h ALA 257 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1smv h ALA 257 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1smv h ALA 257 CO 0.01 -0.26 -0.80 1.28 0.00 0.00 0.00 179.25 179.48 1smv n LEU 258 N -3.56 0.63 -4.63 0.00 4.77 -1.07 -4.90 117.00 108.25 1smv n LEU 258 Ca 0.00 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1smv n LEU 258 Cb 0.30 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1smv n LEU 258 CO 0.24 0.03 1.04 0.21 -1.33 0.00 0.00 177.39 177.58 1smv s ASN 259 N -3.84 6.78 0.00 -1.43 3.84 -0.06 -5.08 114.94 115.14 1smv s ASN 259 Ca 0.06 1.02 0.00 0.00 0.21 0.00 0.00 52.86 54.15 1smv s ASN 259 Cb 0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 1smv s ASN 259 CO 0.76 -1.02 0.40 0.18 -2.79 0.00 0.00 177.10 174.63