#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie n GLY 119 N 0.00 -0.85 0.00 -7.48 0.00 -1.26 -4.95 105.19 90.66 1iie n GLY 119 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1iie n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iie n ASN 120 N -2.74 0.00 -0.09 1.61 2.85 -1.26 -5.04 115.26 110.60 1iie n ASN 120 Ca -0.13 -0.60 0.04 0.00 -0.11 0.00 0.00 54.58 53.78 1iie n ASN 120 Cb 0.61 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.60 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1iie n MET 121 N 0.00 3.28 -0.35 1.20 2.81 -1.26 -4.58 117.12 118.21 1iie n MET 121 Ca 0.00 -0.24 0.30 0.00 -1.81 0.00 0.00 57.70 55.96 1iie n MET 121 Cb 0.00 -0.98 0.62 0.00 -0.71 0.00 0.00 33.22 32.16 1iie n MET 121 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1iie h THR 122 N 0.42 0.40 -0.38 2.03 2.02 -1.96 0.69 112.91 116.13 1iie h THR 122 Ca 0.00 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1iie h THR 122 Cb 0.26 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1iie h THR 122 CO 0.00 0.04 -0.24 -0.33 0.37 0.00 0.00 175.52 175.36 1iie h GLU 123 N 0.20 0.77 0.00 6.66 5.08 -1.97 1.64 114.58 126.96 1iie h GLU 123 Ca 0.63 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1iie h GLU 123 Cb 2.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1iie h GLU 123 CO -0.21 0.93 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.89 1iie h ASP 124 N 0.67 0.00 1.01 1.42 3.32 -0.07 0.96 116.42 123.72 1iie h ASP 124 Ca 0.09 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1iie h ASP 124 Cb 0.75 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1iie h ASP 124 CO 0.06 0.41 -1.05 -0.74 -1.72 0.00 0.00 179.24 176.20 1iie h HIS 125 N 0.00 0.00 0.09 4.55 2.76 -0.13 -2.51 115.15 119.91 1iie h HIS 125 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 1.10 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 1iie h HIS 125 CO 0.00 0.43 -1.80 0.28 -1.30 0.00 0.00 177.93 175.54 1iie h VAL 126 N 0.00 0.82 -0.44 5.26 2.07 0.26 -2.71 116.25 121.51 1iie h VAL 126 Ca -0.09 -2.56 -0.07 0.00 0.82 0.00 0.00 66.70 64.81 1iie h VAL 126 Cb 1.40 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 1iie h VAL 126 CO 0.04 0.76 0.00 -0.03 0.02 0.00 0.00 177.57 178.36 1iie h MET 127 N 0.05 0.71 -0.06 1.57 -1.53 0.87 -1.43 114.93 115.12 1iie h MET 127 Ca -0.34 -0.18 -0.20 0.00 -3.44 0.00 0.00 59.70 55.54 1iie h MET 127 Cb 2.03 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 32.99 1iie h MET 127 CO 0.11 0.73 -0.80 0.45 0.14 0.00 0.00 176.91 177.54 1iie h HIS 128 N 0.67 0.58 0.00 1.39 3.86 -1.54 -0.22 115.15 119.89 1iie h HIS 128 Ca 0.13 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1iie h HIS 128 Cb 0.41 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1iie h HIS 128 CO 0.02 1.05 -0.07 -0.07 0.86 0.00 0.00 177.93 179.72 1iie h LEU 129 N 0.27 0.00 0.00 2.43 -0.00 -1.05 -1.47 115.31 115.49 1iie h LEU 129 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 1iie h LEU 129 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 1iie h LEU 129 CO 0.14 0.07 -1.60 0.18 -0.00 0.00 0.00 178.44 177.22 1iie n LEU 130 N -3.41 0.51 0.04 1.67 4.77 -0.60 -3.24 117.00 116.73 1iie n LEU 130 Ca -0.02 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1iie n LEU 130 Cb 0.21 0.08 0.53 0.00 -2.33 0.00 0.00 43.42 41.91 1iie n LEU 130 CO 0.27 0.07 0.92 0.00 -1.33 0.00 0.00 177.39 177.32 1iie n GLN 131 N -2.65 0.09 -0.06 3.23 6.02 -0.12 -0.86 117.38 123.03 1iie n GLN 131 Ca -0.09 0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 1iie n GLN 131 Cb 0.74 -1.61 -0.12 0.00 1.02 0.00 0.00 30.24 30.27 1iie n GLN 131 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1iie n ASN 132 N -1.77 1.42 0.02 1.08 2.85 -0.85 -4.45 115.26 113.56 1iie n ASN 132 Ca 0.06 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.50 1iie n ASN 132 Cb 0.35 1.08 -0.10 0.00 1.24 0.00 0.00 39.78 42.35 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iie h ALA 133 N 0.90 0.68 -3.23 5.20 0.00 -1.56 -3.45 119.26 117.80 1iie h ALA 133 Ca -0.29 -1.07 -0.47 0.00 0.00 0.00 0.00 54.91 53.08 1iie h ALA 133 Cb 1.60 0.31 -0.38 0.00 0.00 0.00 0.00 17.79 19.32 1iie h ALA 133 CO 0.02 1.18 -0.78 -0.51 0.00 0.00 0.00 179.25 179.16 1iie s ASP 134 N -6.00 1.79 0.00 0.00 1.11 -0.04 -4.99 116.67 108.53 1iie s ASP 134 Ca -0.03 -0.17 0.22 0.00 0.18 0.00 0.00 52.55 52.76 1iie s ASP 134 Cb 0.08 -0.59 1.24 0.00 1.07 0.00 0.00 42.92 44.72 1iie s ASP 134 CO 0.81 -0.16 1.70 -0.81 1.18 0.00 0.00 175.17 177.89 1iie n PRO 135 N 5.04 0.55 -0.19 8.23 -0.04 -1.26 -2.97 135.00 144.35 1iie n PRO 135 Ca -0.10 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1iie n PRO 135 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -1.11 2.64 -4.62 1.53 4.77 -1.26 -4.99 117.00 113.96 1iie n LEU 136 Ca 0.14 -3.17 -0.43 0.00 -0.03 0.00 0.00 56.01 52.52 1iie n LEU 136 Cb 0.11 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1iie n LEU 136 CO 0.14 0.78 0.85 -0.54 -1.33 0.00 0.00 177.39 177.30 1iie s LYS 137 N -2.92 3.92 -0.01 3.23 -0.14 -1.16 -5.01 119.74 117.65 1iie s LYS 137 Ca 0.34 0.76 0.06 0.00 -1.36 0.00 0.00 55.97 55.77 1iie s LYS 137 Cb 0.30 -3.78 -0.01 0.00 -1.68 0.00 0.00 37.83 32.65 1iie s LYS 137 CO 0.03 -0.96 -0.19 0.08 -0.76 0.00 0.00 175.35 173.55 1iie s VAL 138 N 3.61 1.48 -0.55 3.17 1.01 -1.26 -4.84 120.40 123.02 1iie s VAL 138 Ca 0.41 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1iie s VAL 138 Cb -0.12 -1.23 0.16 0.00 0.00 0.00 0.00 36.38 35.20 1iie s VAL 138 CO 0.18 0.42 0.39 -0.31 0.00 0.00 0.00 175.10 175.78 1iie s TYR 139 N -0.44 2.37 0.69 5.22 2.02 -1.26 -5.09 117.35 120.86 1iie s TYR 139 Ca 0.07 -2.80 -0.17 0.00 -0.37 0.00 0.00 57.07 53.80 1iie s TYR 139 Cb -0.07 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1iie s TYR 139 CO -0.01 -0.69 1.11 -0.35 -1.57 0.00 0.00 175.55 174.04 1iie n PRO 140 N 2.58 0.72 -1.83 -1.71 -0.04 -1.26 -4.82 135.00 128.64 1iie n PRO 140 Ca 0.21 0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 63.58 1iie n PRO 140 Cb 0.40 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -3.37 2.79 -1.19 0.54 0.04 -1.26 -4.88 135.00 127.67 1iie s PRO 141 Ca 0.77 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 1iie s PRO 141 Cb -0.36 -4.38 0.23 0.00 0.04 0.00 0.00 34.50 30.03 1iie s PRO 141 CO 0.46 -2.51 1.62 1.28 0.04 0.00 0.00 177.00 177.90 1iie n LEU 142 N 12.66 6.31 0.11 -3.56 4.77 -1.26 -4.68 117.00 131.34 1iie n LEU 142 Ca 0.27 -4.85 0.12 0.00 -0.03 0.00 0.00 56.01 51.52 1iie n LEU 142 Cb 0.50 -1.43 0.08 0.00 -2.33 0.00 0.00 43.42 40.24 1iie n LEU 142 CO 0.69 1.40 0.24 0.11 -1.33 0.00 0.00 177.39 178.51 1iie h LYS 143 N 5.89 0.00 0.00 3.23 1.79 -1.98 -3.40 116.57 122.10 1iie h LYS 143 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1iie h LYS 143 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1iie h LYS 143 CO 1.43 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.21 1iie n GLY 144 N 1.22 -3.34 3.55 3.86 0.00 -1.26 -4.93 105.19 104.29 1iie n GLY 144 Ca 0.02 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -2.63 -0.31 0.29 1.61 0.01 -1.26 -4.94 113.70 106.46 1iie s SER 145 Ca 0.00 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.42 1iie s SER 145 Cb 0.00 0.30 0.69 0.00 0.21 0.00 0.00 66.02 67.22 1iie s SER 145 CO 0.00 -0.44 1.76 0.15 0.41 0.00 0.00 173.24 175.12 1iie h PHE 146 N 2.17 0.92 0.00 2.43 3.57 -1.92 3.09 116.94 127.20 1iie h PHE 146 Ca -0.18 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1iie h PHE 146 Cb 1.20 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1iie h PHE 146 CO 0.27 0.16 0.00 -1.00 -2.23 0.00 0.00 178.31 175.52 1iie h PRO 147 N 0.66 0.00 0.13 6.41 0.13 -1.98 0.98 132.00 138.32 1iie h PRO 147 Ca 0.55 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.31 1iie h PRO 147 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1iie h PRO 147 CO -0.41 0.00 -1.97 0.93 -0.23 0.00 0.00 178.00 176.32 1iie h GLU 148 N 0.00 0.27 -0.09 0.86 4.39 -0.41 -2.69 114.58 116.92 1iie h GLU 148 Ca 0.00 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1iie h GLU 148 Cb 0.72 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1iie h GLU 148 CO 0.00 1.22 -0.07 -0.91 -1.16 0.00 0.00 179.01 178.09 1iie h ASN 149 N 0.07 0.12 0.14 1.42 -0.26 0.54 1.38 115.58 119.00 1iie h ASN 149 Ca -0.42 -0.02 -0.21 0.00 -0.56 0.00 0.00 56.30 55.10 1iie h ASN 149 Cb 2.04 -0.03 0.02 0.00 -1.06 0.00 0.00 38.32 39.29 1iie h ASN 149 CO 0.10 0.21 -0.97 -0.07 -1.06 0.00 0.00 177.43 175.64 1iie h LEU 150 N 0.13 0.46 -1.14 1.61 3.38 -0.89 -1.93 115.31 116.94 1iie h LEU 150 Ca 0.03 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 1iie h LEU 150 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1iie h LEU 150 CO 0.01 1.45 -0.20 0.03 0.09 0.00 0.00 178.44 179.82 1iie h ARG 151 N -0.35 0.00 0.09 1.13 2.47 -1.12 0.14 114.38 116.74 1iie h ARG 151 Ca -0.18 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1iie h ARG 151 Cb 1.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.01 1iie h ARG 151 CO 0.13 0.20 -0.04 1.25 0.56 0.00 0.00 179.97 182.07 1iie h HIS 152 N 0.00 -0.11 -0.92 3.04 2.76 0.18 1.23 115.15 121.33 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.73 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.65 1iie h HIS 152 CO 0.00 0.43 0.59 -0.07 -1.30 0.00 0.00 177.93 177.58 1iie h LEU 153 N -0.85 0.72 0.15 0.26 3.38 -1.21 2.01 115.31 119.77 1iie h LEU 153 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iie h LEU 153 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1iie h LEU 153 CO 0.02 0.37 -0.07 0.50 0.09 0.00 0.00 178.44 179.34 1iie h LYS 154 N 0.76 -0.19 0.00 1.13 3.11 -0.87 1.22 116.57 121.74 1iie h LYS 154 Ca 0.46 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.32 1iie h LYS 154 Cb 0.67 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1iie h LYS 154 CO -0.22 0.25 0.00 -1.71 -2.81 0.00 0.00 179.45 174.95 1iie n ASN 155 N -4.94 0.00 0.04 4.20 2.85 0.42 -4.16 115.26 113.68 1iie n ASN 155 Ca -0.08 -0.05 -0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1iie n ASN 155 Cb 0.27 -0.27 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1iie n THR 156 N -1.27 1.17 -0.22 -0.44 -1.04 0.67 -4.99 114.28 108.16 1iie n THR 156 Ca 0.10 0.38 -0.29 0.00 -2.04 0.00 0.00 64.05 62.20 1iie n THR 156 Cb 0.16 -1.58 0.28 0.00 -1.82 0.00 0.00 70.33 67.37 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.47 -4.69 -2.12 -2.82 0.00 0.42 -4.85 117.12 99.59 1iie n MET 157 Ca -0.01 -1.38 -0.42 0.00 0.00 0.00 0.00 57.70 55.89 1iie n MET 157 Cb 0.02 -1.83 -0.03 0.00 0.00 0.00 0.00 33.22 31.38 1iie n MET 157 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1iie s GLU 158 N -4.94 4.27 0.50 3.17 2.56 -1.26 -4.79 118.70 118.19 1iie s GLU 158 Ca 0.63 2.11 0.32 0.00 0.00 0.00 0.00 54.97 58.03 1iie s GLU 158 Cb -0.11 -3.48 1.43 0.00 2.00 0.00 0.00 34.13 33.97 1iie s GLU 158 CO 0.53 -0.59 1.77 1.15 -0.56 0.00 0.00 175.26 177.56 1iie h THR 159 N 4.69 0.39 0.00 -1.70 2.02 -1.89 1.66 112.91 118.09 1iie h THR 159 Ca -0.40 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.58 1iie h THR 159 Cb 1.19 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1iie h THR 159 CO 0.90 0.02 -0.83 -0.29 0.37 0.00 0.00 175.52 175.69 1iie h ILE 160 N 0.11 1.14 0.00 3.11 2.10 -1.96 1.01 117.51 123.02 1iie h ILE 160 Ca 0.62 -2.66 -0.17 0.00 1.08 0.00 0.00 64.86 63.73 1iie h ILE 160 Cb 2.18 2.54 -0.02 0.00 -1.09 0.00 0.00 36.82 40.42 1iie h ILE 160 CO -0.12 0.65 -0.79 -0.78 -1.08 0.00 0.00 178.15 176.03 1iie h ASP 161 N 0.00 0.00 0.28 2.19 1.82 0.13 -1.42 116.42 119.41 1iie h ASP 161 Ca -0.04 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.40 1iie h ASP 161 Cb 1.58 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 1iie h ASP 161 CO 0.09 0.79 -0.82 -0.25 -1.61 0.00 0.00 179.24 177.43 1iie h TRP 162 N 0.00 0.59 -0.12 0.28 2.91 0.21 0.94 115.95 120.76 1iie h TRP 162 Ca -0.01 -0.28 0.02 0.00 1.13 0.00 0.00 58.89 59.74 1iie h TRP 162 Cb 1.55 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 30.11 1iie h TRP 162 CO 0.00 1.07 0.02 0.87 -1.03 0.00 0.00 178.44 179.37 1iie h LYS 163 N 0.26 0.07 -0.45 2.65 1.79 0.14 0.91 116.57 121.95 1iie h LYS 163 Ca -0.05 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 1iie h LYS 163 Cb 1.42 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 1iie h LYS 163 CO 0.14 0.05 -0.17 0.28 -1.08 0.00 0.00 179.45 178.67 1iie h VAL 164 N 0.07 1.27 -0.66 0.50 2.07 -1.14 -0.26 116.25 118.10 1iie h VAL 164 Ca 0.05 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1iie h VAL 164 Cb 0.05 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1iie h VAL 164 CO -0.07 0.45 0.24 0.15 0.02 0.00 0.00 177.57 178.36 1iie h PHE 165 N 0.74 1.02 -0.30 1.57 3.57 0.16 0.89 116.94 124.58 1iie h PHE 165 Ca 0.11 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1iie h PHE 165 Cb 0.73 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1iie h PHE 165 CO 0.05 0.81 0.14 0.93 -2.23 0.00 0.00 178.31 178.01 1iie h GLU 166 N 0.93 0.43 -0.12 1.11 4.39 0.10 0.81 114.58 122.24 1iie h GLU 166 Ca 0.22 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1iie h GLU 166 Cb 0.24 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1iie h GLU 166 CO -0.01 0.41 -0.02 0.77 -1.16 0.00 0.00 179.01 179.00 1iie h SER 167 N 0.35 0.15 -0.10 1.42 0.02 -0.45 0.83 113.55 115.78 1iie h SER 167 Ca 0.10 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 1iie h SER 167 Cb 0.12 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1iie h SER 167 CO -0.01 0.21 -0.46 -0.25 -1.14 0.00 0.00 176.83 175.17 1iie h TRP 168 N 0.17 0.80 -0.12 3.45 7.01 0.29 0.47 115.95 128.02 1iie h TRP 168 Ca 0.04 -0.26 -0.19 0.00 2.11 0.00 0.00 58.89 60.59 1iie h TRP 168 Cb 0.15 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1iie h TRP 168 CO 0.00 1.00 -0.72 0.52 -2.79 0.00 0.00 178.44 176.45 1iie h MET 169 N 0.52 0.57 -0.16 2.65 2.86 0.25 0.41 114.93 122.02 1iie h MET 169 Ca 0.03 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 1iie h MET 169 Cb 1.01 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1iie h MET 169 CO 0.09 1.07 0.00 1.25 1.06 0.00 0.00 176.91 180.39 1iie h HIS 170 N 0.40 0.31 -0.25 -0.22 -0.00 0.88 0.81 115.15 117.08 1iie h HIS 170 Ca -0.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.27 1iie h HIS 170 Cb 1.31 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1iie h HIS 170 CO 0.06 0.50 0.09 0.45 -0.00 0.00 0.00 177.93 179.03 1iie h HIS 171 N 0.03 0.38 -0.88 5.26 -0.00 0.01 0.32 115.15 120.27 1iie h HIS 171 Ca 0.05 -0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.53 1iie h HIS 171 Cb 0.37 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.57 1iie h HIS 171 CO 0.03 0.41 0.48 2.35 -0.00 0.00 0.00 177.93 181.20 1iie h TRP 172 N 0.24 0.84 0.47 2.45 7.01 0.05 0.07 115.95 127.08 1iie h TRP 172 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1iie h TRP 172 Cb 0.20 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 1iie h TRP 172 CO -0.00 0.21 -0.22 1.25 -2.79 0.00 0.00 178.44 176.88 1iie h LEU 173 N 0.67 -0.53 0.02 0.65 5.85 0.21 -2.09 115.31 120.09 1iie h LEU 173 Ca 0.48 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.13 1iie h LEU 173 Cb 0.68 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1iie h LEU 173 CO -0.36 -0.17 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.17 1iie h LEU 174 N -0.94 -1.01 -0.40 2.25 3.38 0.15 0.11 115.31 118.85 1iie h LEU 174 Ca -0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1iie h LEU 174 Cb 0.59 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1iie h LEU 174 CO 0.11 -0.33 -0.24 0.33 0.09 0.00 0.00 178.44 178.40 1iie n PHE 175 N -4.30 -0.18 -0.27 1.13 -0.00 -0.04 0.17 117.46 113.97 1iie n PHE 175 Ca -0.05 0.50 0.14 0.00 -0.00 0.00 0.00 57.45 58.05 1iie n PHE 175 Cb 0.25 -0.52 0.41 0.00 -0.00 0.00 0.00 39.48 39.61 1iie n PHE 175 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1iie h GLU 176 N 0.00 0.61 0.26 -4.13 4.81 -1.14 0.68 114.58 115.67 1iie h GLU 176 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1iie h GLU 176 Cb 0.16 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1iie h GLU 176 CO -0.38 0.40 -0.12 1.98 -0.73 0.00 0.00 179.01 180.16 1iie h MET 177 N 0.63 -0.34 -0.91 1.92 4.05 0.25 -2.82 114.93 117.71 1iie h MET 177 Ca 0.47 0.02 0.19 0.00 -0.28 0.00 0.00 59.70 60.10 1iie h MET 177 Cb 0.86 0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 31.62 1iie h MET 177 CO -0.22 -0.08 0.47 0.66 0.23 0.00 0.00 176.91 177.97 1iie h SER 178 N -1.02 0.52 -0.25 1.39 4.64 0.23 0.26 113.55 119.31 1iie h SER 178 Ca -0.04 0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1iie h SER 178 Cb 0.41 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 1iie h SER 178 CO 0.06 0.14 0.12 -2.11 -0.87 0.00 0.00 176.83 174.17 1iie n ARG 179 N -4.91 1.73 -1.12 4.77 -4.01 0.23 -4.10 116.66 109.25 1iie n ARG 179 Ca 0.21 -0.94 -0.15 0.00 -1.04 0.00 0.00 57.85 55.92 1iie n ARG 179 Cb 0.56 -1.52 0.23 0.00 -3.04 0.00 0.00 32.46 28.70 1iie n ARG 179 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1iie n HIS 180 N 0.08 2.69 0.31 2.89 -0.00 0.91 -4.48 115.22 117.62 1iie n HIS 180 Ca 0.14 -1.57 0.16 0.00 0.46 0.00 0.00 57.72 56.92 1iie n HIS 180 Cb 0.73 -0.81 0.69 0.00 -0.12 0.00 0.00 29.99 30.47 1iie n HIS 180 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1iie h SER 181 N 1.69 0.00 0.00 0.26 4.64 -1.79 -3.21 113.55 115.15 1iie h SER 181 Ca 0.46 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.38 1iie h SER 181 Cb 2.58 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.60 1iie h SER 181 CO 0.91 0.00 -2.47 0.18 -0.87 0.00 0.00 176.83 174.58 1iie n LEU 182 N -2.82 2.80 -2.99 5.97 4.77 -1.26 -4.52 117.00 118.95 1iie n LEU 182 Ca 0.01 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1iie n LEU 182 Cb 0.25 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 1iie n LEU 182 CO 0.24 0.88 2.69 -0.62 -1.33 0.00 0.00 177.39 179.25 1iie n GLU 183 N -3.43 3.39 -3.84 3.23 -0.58 -1.21 -4.90 120.64 113.29 1iie n GLU 183 Ca -0.47 -2.17 -0.24 0.00 -0.42 0.00 0.00 57.16 53.86 1iie n GLU 183 Cb 0.97 -2.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.27 1iie n GLU 183 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1iie s GLN 184 N 1.01 2.33 -0.30 3.49 -2.07 -1.26 -5.00 119.66 117.87 1iie s GLN 184 Ca 0.66 -1.83 0.01 0.00 -1.82 0.00 0.00 55.36 52.38 1iie s GLN 184 Cb 0.23 -2.16 0.19 0.00 -1.09 0.00 0.00 33.01 30.19 1iie s GLN 184 CO -0.07 -0.37 0.60 0.21 -1.32 0.00 0.00 175.29 174.34 1iie s LYS 185 N -4.15 0.56 -0.04 9.60 2.47 -1.26 -5.13 119.74 121.80 1iie s LYS 185 Ca 0.40 0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 55.35 1iie s LYS 185 Cb -0.01 0.45 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 1iie s LYS 185 CO 0.23 -0.77 1.25 -1.25 0.16 0.00 0.00 175.35 174.97 1iie s PRO 186 N 2.85 4.33 -0.30 4.03 0.04 -1.26 -4.87 135.00 139.83 1iie s PRO 186 Ca 0.17 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.04 1iie s PRO 186 Cb -0.13 -3.56 0.29 0.00 0.04 0.00 0.00 34.50 31.15 1iie s PRO 186 CO -0.23 -0.48 1.27 -2.37 0.04 0.00 0.00 177.00 175.23 1iie n THR 187 N 4.62 0.00 -4.69 1.26 5.66 -1.26 -5.15 114.28 114.72 1iie n THR 187 Ca 0.11 -0.92 -0.30 0.00 -3.05 0.00 0.00 64.05 59.89 1iie n THR 187 Cb 0.45 0.87 -0.07 0.00 -1.55 0.00 0.00 70.33 70.04 1iie n THR 187 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1iie n ASP 188 N -0.93 3.02 -3.51 1.09 5.68 -1.26 -5.12 116.55 115.52 1iie n ASP 188 Ca -0.12 -3.14 -0.29 0.00 -0.50 0.00 0.00 54.79 50.74 1iie n ASP 188 Cb 0.78 0.45 -0.14 0.00 -1.14 0.00 0.00 41.12 41.07 1iie n ASP 188 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iie s ALA 189 N -2.88 0.77 0.64 2.12 0.00 -1.26 -5.13 121.76 116.03 1iie s ALA 189 Ca 0.03 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 1iie s ALA 189 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 1iie s ALA 189 CO 0.02 -1.85 1.06 -1.25 0.00 0.00 0.00 175.76 173.74 1iie s PRO 190 N 1.63 3.09 0.33 0.00 0.04 -1.26 -4.94 135.00 133.89 1iie s PRO 190 Ca 0.13 1.14 0.26 0.00 0.04 0.00 0.00 61.00 62.57 1iie s PRO 190 Cb -0.19 -2.00 0.90 0.00 0.04 0.00 0.00 34.50 33.24 1iie s PRO 190 CO -0.20 -0.99 1.77 -1.00 0.04 0.00 0.00 177.00 176.62 1iie h PRO 191 N -0.05 0.00 0.00 0.56 0.13 -2.10 -3.57 132.00 126.98 1iie h PRO 191 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1iie h PRO 191 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iie h PRO 191 CO 0.57 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.97