#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 2.52 3.84 2.72 0.00 -1.26 -5.19 105.19 107.82 1iie n GLY 119 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1iie n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1iie s ASN 120 N 0.00 -0.16 0.36 1.61 3.84 -1.26 -5.00 114.94 114.33 1iie s ASN 120 Ca 0.00 -0.79 0.26 0.00 0.21 0.00 0.00 52.86 52.54 1iie s ASN 120 Cb 0.00 0.76 1.30 0.00 -0.55 0.00 0.00 41.25 42.76 1iie s ASN 120 CO 0.00 -1.45 1.78 0.24 -2.79 0.00 0.00 177.10 174.89 1iie h MET 121 N 2.00 0.00 -0.19 0.43 2.86 -2.03 -2.64 114.93 115.36 1iie h MET 121 Ca -0.24 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1iie h MET 121 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1iie h MET 121 CO 0.29 0.00 0.27 1.15 1.06 0.00 0.00 176.91 179.68 1iie h THR 122 N 0.00 0.32 -0.43 2.22 2.02 -1.98 -0.80 112.91 114.27 1iie h THR 122 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1iie h THR 122 Cb 0.12 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1iie h THR 122 CO 0.00 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.33 1iie h GLU 123 N 0.00 0.87 0.00 6.66 5.08 -1.88 1.09 114.58 126.40 1iie h GLU 123 Ca 0.09 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1iie h GLU 123 Cb 0.63 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1iie h GLU 123 CO -0.00 1.01 -0.29 -0.44 -1.00 0.00 0.00 179.01 178.30 1iie h ASP 124 N 0.76 0.00 0.89 1.42 3.32 -1.39 1.28 116.42 122.69 1iie h ASP 124 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 1iie h ASP 124 Cb 0.78 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1iie h ASP 124 CO 0.06 0.29 -1.19 -0.74 -1.72 0.00 0.00 179.24 175.94 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -1.01 -2.02 115.15 119.51 1iie h HIS 125 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 0.92 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1iie h HIS 125 CO 0.00 0.74 -1.76 0.28 -1.30 0.00 0.00 177.93 175.89 1iie h VAL 126 N 0.00 0.85 -0.46 5.26 2.07 0.14 -2.63 116.25 121.49 1iie h VAL 126 Ca -0.12 -2.60 -0.04 0.00 0.82 0.00 0.00 66.70 64.76 1iie h VAL 126 Cb 1.68 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.97 1iie h VAL 126 CO 0.07 0.74 0.13 -0.03 0.02 0.00 0.00 177.57 178.50 1iie h MET 127 N 0.05 0.72 -0.56 1.57 -1.53 0.15 -0.50 114.93 114.83 1iie h MET 127 Ca -0.32 -0.16 -0.07 0.00 -3.44 0.00 0.00 59.70 55.70 1iie h MET 127 Cb 2.02 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 32.95 1iie h MET 127 CO 0.11 0.69 0.05 1.25 0.14 0.00 0.00 176.91 179.15 1iie h HIS 128 N 0.60 0.98 0.00 1.39 2.76 -1.46 1.10 115.15 120.52 1iie h HIS 128 Ca 0.15 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1iie h HIS 128 Cb 0.28 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1iie h HIS 128 CO 0.01 0.86 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.40 1iie h LEU 129 N 0.86 0.00 0.00 0.26 -0.00 -0.99 -1.67 115.31 113.78 1iie h LEU 129 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.92 1iie h LEU 129 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 1iie h LEU 129 CO 0.02 0.03 -2.03 0.18 -0.00 0.00 0.00 178.44 176.64 1iie n LEU 130 N -3.25 0.12 -0.03 1.67 4.77 -0.23 -3.44 117.00 116.61 1iie n LEU 130 Ca -0.01 0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1iie n LEU 130 Cb 0.19 0.17 0.72 0.00 -2.33 0.00 0.00 43.42 42.17 1iie n LEU 130 CO 0.25 0.17 0.98 0.00 -1.33 0.00 0.00 177.39 177.46 1iie n GLN 131 N -2.49 0.48 -0.04 3.23 6.02 0.36 -2.56 117.38 122.39 1iie n GLN 131 Ca -0.14 -0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 56.77 1iie n GLN 131 Cb 0.78 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.21 2.99 0.08 1.08 2.85 -0.73 -4.56 115.26 115.77 1iie n ASN 132 Ca 0.14 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.51 1iie n ASN 132 Cb 0.25 0.75 -0.05 0.00 1.24 0.00 0.00 39.78 41.97 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 0.43 0.40 -3.34 5.20 0.00 -1.61 -3.43 119.26 116.91 1iie h ALA 133 Ca -0.20 -0.79 -0.38 0.00 0.00 0.00 0.00 54.91 53.54 1iie h ALA 133 Cb 1.42 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.76 1iie h ALA 133 CO 0.01 0.99 -0.75 -0.51 0.00 0.00 0.00 179.25 178.99 1iie s ASP 134 N -6.93 1.04 0.00 0.00 1.01 -1.06 -4.99 116.67 105.74 1iie s ASP 134 Ca -0.02 0.02 0.21 0.00 0.71 0.00 0.00 52.55 53.47 1iie s ASP 134 Cb 0.09 -0.21 1.06 0.00 1.01 0.00 0.00 42.92 44.87 1iie s ASP 134 CO 0.84 -0.21 1.65 -0.81 0.21 0.00 0.00 175.17 176.85 1iie n PRO 135 N 5.00 0.34 -0.30 8.23 -0.04 -1.26 -2.65 135.00 144.31 1iie n PRO 135 Ca -0.10 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1iie n PRO 135 Cb 0.50 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.25 3.59 -4.71 1.53 4.77 -1.26 -4.95 117.00 114.72 1iie n LEU 136 Ca 0.10 -2.00 -0.41 0.00 -0.03 0.00 0.00 56.01 53.68 1iie n LEU 136 Cb 0.15 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1iie n LEU 136 CO 0.15 0.90 0.52 -0.54 -1.33 0.00 0.00 177.39 177.09 1iie s LYS 137 N -1.00 4.48 0.02 3.23 -0.14 -1.09 -5.04 119.74 120.20 1iie s LYS 137 Ca 0.40 1.10 0.02 0.00 -1.36 0.00 0.00 55.97 56.13 1iie s LYS 137 Cb 0.21 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 1iie s LYS 137 CO 0.27 -0.01 -0.07 0.08 -0.76 0.00 0.00 175.35 174.86 1iie s VAL 138 N 0.98 0.52 -0.53 3.17 1.01 -1.26 -4.87 120.40 119.42 1iie s VAL 138 Ca 0.43 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1iie s VAL 138 Cb -0.19 -0.52 0.16 0.00 0.00 0.00 0.00 36.38 35.83 1iie s VAL 138 CO 0.22 -0.14 0.36 -0.31 0.00 0.00 0.00 175.10 175.23 1iie s TYR 139 N -0.79 2.26 0.58 5.22 1.51 -1.26 -5.08 117.35 119.79 1iie s TYR 139 Ca -0.04 -2.72 -0.20 0.00 -1.01 0.00 0.00 57.07 53.10 1iie s TYR 139 Cb -0.06 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1iie s TYR 139 CO 0.00 -0.71 1.15 -0.35 -1.11 0.00 0.00 175.55 174.53 1iie n PRO 140 N 2.75 1.22 -1.86 -1.71 -0.04 -1.26 -4.82 135.00 129.28 1iie n PRO 140 Ca 0.19 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.71 1iie n PRO 140 Cb 0.39 -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 -2.84 2.93 -1.14 0.54 0.04 -1.26 -4.89 135.00 128.38 1iie s PRO 141 Ca 0.75 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 1iie s PRO 141 Cb -0.42 -4.34 0.26 0.00 0.04 0.00 0.00 34.50 30.04 1iie s PRO 141 CO 0.47 -2.34 1.35 1.28 0.04 0.00 0.00 177.00 177.80 1iie n LEU 142 N 12.06 5.86 0.01 -3.56 4.77 -1.26 -4.72 117.00 130.16 1iie n LEU 142 Ca 0.26 -4.97 0.12 0.00 -0.03 0.00 0.00 56.01 51.38 1iie n LEU 142 Cb 0.49 -1.44 0.14 0.00 -2.33 0.00 0.00 43.42 40.28 1iie n LEU 142 CO 0.69 1.36 0.27 0.29 -1.33 0.00 0.00 177.39 178.68 1iie n LYS 143 N 2.81 0.10 0.00 3.23 4.76 -1.26 -4.51 118.16 123.30 1iie n LYS 143 Ca 0.28 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1iie n LYS 143 Cb 0.38 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1iie n LYS 143 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iie n GLY 144 N 1.45 -3.15 3.54 0.72 0.00 -1.26 -4.95 105.19 101.54 1iie n GLY 144 Ca 0.04 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.41 -0.33 0.30 1.61 0.01 -1.26 -4.93 113.70 106.69 1iie s SER 145 Ca 0.00 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.45 1iie s SER 145 Cb 0.00 0.32 0.73 0.00 0.21 0.00 0.00 66.02 67.27 1iie s SER 145 CO 0.00 -0.46 1.76 0.15 0.41 0.00 0.00 173.24 175.10 1iie h PHE 146 N 2.20 1.00 0.00 2.43 3.57 -1.92 3.27 116.94 127.48 1iie h PHE 146 Ca -0.19 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1iie h PHE 146 Cb 1.20 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1iie h PHE 146 CO 0.27 0.19 -0.02 -1.00 -2.23 0.00 0.00 178.31 175.52 1iie h PRO 147 N 0.70 0.00 0.13 6.41 0.13 -1.98 0.11 132.00 137.50 1iie h PRO 147 Ca 0.57 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.36 1iie h PRO 147 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1iie h PRO 147 CO -0.40 0.02 -1.84 0.93 -0.23 0.00 0.00 178.00 176.47 1iie h GLU 148 N 0.00 0.27 -0.32 0.86 4.39 -0.61 -2.89 114.58 116.27 1iie h GLU 148 Ca -0.00 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1iie h GLU 148 Cb 0.86 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1iie h GLU 148 CO 0.00 1.22 0.05 -0.91 -1.16 0.00 0.00 179.01 178.21 1iie h ASN 149 N -0.04 0.44 -0.02 1.42 2.35 0.58 1.40 115.58 121.71 1iie h ASN 149 Ca -0.39 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.24 1iie h ASN 149 Cb 1.96 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.22 1iie h ASN 149 CO 0.08 0.47 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.08 1iie h LEU 150 N 0.47 0.19 -1.53 1.61 3.38 -0.87 0.11 115.31 118.68 1iie h LEU 150 Ca 0.11 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1iie h LEU 150 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1iie h LEU 150 CO 0.00 0.87 -0.18 0.03 0.09 0.00 0.00 178.44 179.25 1iie h ARG 151 N -0.48 0.00 0.10 1.13 2.47 -1.26 0.13 114.38 116.47 1iie h ARG 151 Ca -0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iie h ARG 151 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1iie h ARG 151 CO 0.04 0.18 -0.05 1.25 0.56 0.00 0.00 179.97 181.95 1iie h HIS 152 N 0.00 -0.12 -0.87 3.04 2.76 0.20 1.24 115.15 121.41 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1iie h HIS 152 Cb 0.54 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.47 1iie h HIS 152 CO 0.00 0.41 0.56 -0.07 -1.30 0.00 0.00 177.93 177.53 1iie h LEU 153 N -0.82 0.61 0.18 0.26 3.38 -0.45 1.97 115.31 120.44 1iie h LEU 153 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iie h LEU 153 CO 0.02 0.31 -0.09 0.50 0.09 0.00 0.00 178.44 179.28 1iie h LYS 154 N 0.65 -0.23 0.00 1.13 3.11 -0.61 1.18 116.57 121.80 1iie h LYS 154 Ca 0.43 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1iie h LYS 154 Cb 0.74 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1iie h LYS 154 CO -0.19 0.18 0.00 -1.71 -2.81 0.00 0.00 179.45 174.92 1iie n ASN 155 N -4.94 0.00 0.01 4.20 5.15 0.43 -4.12 115.26 115.99 1iie n ASN 155 Ca -0.08 0.34 -0.01 0.00 -0.60 0.00 0.00 54.58 54.22 1iie n ASN 155 Cb 0.26 -0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1iie n THR 156 N -1.42 0.95 -0.34 -0.44 -1.04 0.66 -5.00 114.28 107.64 1iie n THR 156 Ca 0.06 0.29 -0.28 0.00 -2.04 0.00 0.00 64.05 62.07 1iie n THR 156 Cb 0.18 -1.58 0.26 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 -3.38 -3.94 -1.98 -2.82 0.00 0.41 -4.83 117.12 100.58 1iie n MET 157 Ca -0.02 -1.16 -0.42 0.00 0.00 0.00 0.00 57.70 56.10 1iie n MET 157 Cb 0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 33.22 31.39 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -4.61 4.23 0.50 3.17 8.01 -1.26 -4.77 118.70 123.96 1iie s GLU 158 Ca 0.62 2.29 0.32 0.00 0.01 0.00 0.00 54.97 58.21 1iie s GLU 158 Cb -0.14 -3.32 1.43 0.00 -4.31 0.00 0.00 34.13 27.80 1iie s GLU 158 CO 0.55 -0.62 1.79 1.15 0.01 0.00 0.00 175.26 178.14 1iie h THR 159 N 4.33 0.43 0.00 3.63 2.02 -1.88 1.61 112.91 123.04 1iie h THR 159 Ca -0.42 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.55 1iie h THR 159 Cb 1.20 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1iie h THR 159 CO 0.91 0.02 -0.90 -0.29 0.37 0.00 0.00 175.52 175.63 1iie h ILE 160 N 0.11 1.21 0.00 3.11 6.09 -1.96 0.89 117.51 126.95 1iie h ILE 160 Ca 0.58 -2.77 -0.18 0.00 -1.37 0.00 0.00 64.86 61.12 1iie h ILE 160 Cb 2.08 2.58 -0.02 0.00 0.47 0.00 0.00 36.82 41.92 1iie h ILE 160 CO -0.10 0.69 -0.86 0.44 -3.07 0.00 0.00 178.15 175.25 1iie h ASP 161 N 0.00 0.02 0.15 2.19 5.19 0.12 -1.18 116.42 122.91 1iie h ASP 161 Ca -0.04 -0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.16 1iie h ASP 161 Cb 1.62 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.12 1iie h ASP 161 CO 0.09 0.87 -0.73 -0.25 -3.12 0.00 0.00 179.24 176.10 1iie h TRP 162 N 0.01 0.67 -0.35 4.55 2.91 0.20 0.91 115.95 124.84 1iie h TRP 162 Ca -0.01 -0.29 0.03 0.00 1.13 0.00 0.00 58.89 59.74 1iie h TRP 162 Cb 1.52 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 30.03 1iie h TRP 162 CO 0.00 1.06 0.17 0.87 -1.03 0.00 0.00 178.44 179.52 1iie h LYS 163 N 0.34 0.35 -0.22 2.65 1.79 0.12 0.84 116.57 122.45 1iie h LYS 163 Ca -0.03 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 1iie h LYS 163 Cb 1.31 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1iie h LYS 163 CO 0.13 0.23 -0.52 0.28 -1.08 0.00 0.00 179.45 178.50 1iie h VAL 164 N 0.36 1.31 -0.42 0.50 2.07 -1.03 -1.04 116.25 117.99 1iie h VAL 164 Ca 0.15 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1iie h VAL 164 Cb 0.06 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1iie h VAL 164 CO -0.11 0.55 -0.14 0.15 0.02 0.00 0.00 177.57 178.05 1iie h PHE 165 N 0.49 0.95 -0.28 1.57 3.57 0.18 0.41 116.94 123.82 1iie h PHE 165 Ca 0.02 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1iie h PHE 165 Cb 1.07 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1iie h PHE 165 CO 0.05 0.96 0.14 0.93 -2.23 0.00 0.00 178.31 178.16 1iie h GLU 166 N 0.65 0.41 -0.19 1.11 4.39 0.77 0.89 114.58 122.61 1iie h GLU 166 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1iie h GLU 166 Cb 0.68 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1iie h GLU 166 CO 0.05 0.39 0.08 0.66 -1.16 0.00 0.00 179.01 179.03 1iie h SER 167 N 0.33 0.23 -0.13 1.42 4.64 -0.94 0.91 113.55 120.01 1iie h SER 167 Ca 0.10 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 1iie h SER 167 Cb 0.12 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1iie h SER 167 CO -0.01 0.21 -0.51 -0.25 -0.87 0.00 0.00 176.83 175.40 1iie h TRP 168 N 0.27 0.88 -0.20 4.77 7.01 0.17 0.37 115.95 129.22 1iie h TRP 168 Ca 0.07 -0.30 -0.16 0.00 2.11 0.00 0.00 58.89 60.61 1iie h TRP 168 Cb 0.05 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1iie h TRP 168 CO 0.00 1.07 -0.55 0.52 -2.79 0.00 0.00 178.44 176.69 1iie h MET 169 N 0.55 0.59 -0.07 2.65 2.86 0.28 0.48 114.93 122.28 1iie h MET 169 Ca 0.02 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1iie h MET 169 Cb 1.08 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1iie h MET 169 CO 0.11 0.99 -0.00 1.25 1.06 0.00 0.00 176.91 180.31 1iie h HIS 170 N 0.46 0.14 -0.37 -0.22 -0.00 0.10 0.62 115.15 115.88 1iie h HIS 170 Ca 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1iie h HIS 170 Cb 1.10 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.46 1iie h HIS 170 CO 0.05 0.41 0.14 0.45 -0.00 0.00 0.00 177.93 178.97 1iie h HIS 171 N -0.16 0.58 -0.83 5.26 -0.00 -0.17 0.25 115.15 120.07 1iie h HIS 171 Ca 0.02 -0.05 0.14 0.00 -0.00 0.00 0.00 60.37 60.48 1iie h HIS 171 Cb 0.35 -0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.50 1iie h HIS 171 CO 0.04 0.53 0.43 2.35 -0.00 0.00 0.00 177.93 181.27 1iie h TRP 172 N 0.46 0.75 0.65 2.45 7.01 0.18 -0.11 115.95 127.33 1iie h TRP 172 Ca 0.12 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1iie h TRP 172 Cb 0.21 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1iie h TRP 172 CO 0.00 0.19 -0.31 1.25 -2.79 0.00 0.00 178.44 176.78 1iie h LEU 173 N 0.63 -0.74 -0.05 0.65 5.85 0.18 -2.75 115.31 119.07 1iie h LEU 173 Ca 0.45 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.17 1iie h LEU 173 Cb 0.61 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1iie h LEU 173 CO -0.35 -0.39 -0.41 -0.07 -0.34 0.00 0.00 178.44 176.88 1iie h LEU 174 N -1.11 -1.28 -0.54 2.25 3.38 -0.09 0.19 115.31 118.11 1iie h LEU 174 Ca -0.09 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1iie h LEU 174 Cb 0.71 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1iie h LEU 174 CO 0.15 -0.38 -0.32 0.33 0.09 0.00 0.00 178.44 178.31 1iie n PHE 175 N -4.73 -0.24 -0.01 1.13 -0.00 -0.10 0.12 117.46 113.64 1iie n PHE 175 Ca -0.05 0.67 -0.02 0.00 -0.00 0.00 0.00 57.45 58.05 1iie n PHE 175 Cb 0.29 -0.51 0.23 0.00 -0.00 0.00 0.00 39.48 39.49 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iie h GLU 176 N 0.00 0.56 0.64 -4.13 3.07 -1.15 0.24 114.58 113.80 1iie h GLU 176 Ca 0.09 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1iie h GLU 176 Cb 0.22 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1iie h GLU 176 CO -0.51 0.66 -0.31 1.98 -1.40 0.00 0.00 179.01 179.44 1iie h MET 177 N 0.51 -0.83 -1.00 2.33 4.05 0.36 -0.24 114.93 120.11 1iie h MET 177 Ca 0.09 0.06 0.23 0.00 -0.28 0.00 0.00 59.70 59.80 1iie h MET 177 Cb 0.50 0.19 -0.10 0.00 -0.80 0.00 0.00 31.60 31.40 1iie h MET 177 CO 0.03 -0.55 0.63 0.66 0.23 0.00 0.00 176.91 177.91 1iie h SER 178 N -1.16 0.55 0.52 1.39 4.64 0.96 1.23 113.55 121.69 1iie h SER 178 Ca -0.09 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iie h SER 178 Cb 0.66 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1iie h SER 178 CO 0.14 0.15 0.00 -1.14 -0.87 0.00 0.00 176.83 175.12 1iie n ARG 179 N -4.67 0.14 -1.27 4.77 3.00 0.83 -3.62 116.66 115.83 1iie n ARG 179 Ca 0.24 0.43 -0.21 0.00 -0.00 0.00 0.00 57.85 58.31 1iie n ARG 179 Cb 0.75 -1.79 -0.11 0.00 0.00 0.00 0.00 32.46 31.31 1iie n ARG 179 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1iie n HIS 180 N -2.06 0.91 -2.40 -0.14 8.25 0.42 -4.93 115.22 115.28 1iie n HIS 180 Ca 0.02 -1.79 -0.25 0.00 -0.26 0.00 0.00 57.72 55.44 1iie n HIS 180 Cb 0.17 -1.53 0.05 0.00 1.12 0.00 0.00 29.99 29.81 1iie n HIS 180 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1iie s SER 181 N 1.17 5.15 -1.00 0.41 0.01 -1.24 -4.03 113.70 114.17 1iie s SER 181 Ca 0.63 0.38 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1iie s SER 181 Cb 0.34 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1iie s SER 181 CO -0.11 -1.32 0.00 0.18 0.41 0.00 0.00 173.24 172.40 1iie n LEU 182 N -2.66 -0.22 -0.01 2.44 4.77 -1.26 -4.69 117.00 115.38 1iie n LEU 182 Ca 0.07 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1iie n LEU 182 Cb 0.59 -2.50 -0.01 0.00 -2.33 0.00 0.00 43.42 39.18 1iie n LEU 182 CO 0.50 -0.96 -0.54 -0.62 -1.33 0.00 0.00 177.39 174.44 1iie n GLU 183 N -0.64 2.03 -2.02 3.23 1.02 -1.26 -4.81 120.64 118.19 1iie n GLU 183 Ca -0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1iie n GLU 183 Cb 0.54 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1iie n GLU 183 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1iie n GLN 184 N -2.28 3.10 -4.47 3.49 1.13 -1.26 -4.93 117.38 112.16 1iie n GLN 184 Ca -0.02 -2.96 -0.34 0.00 -1.94 0.00 0.00 57.00 51.74 1iie n GLN 184 Cb 0.53 -3.21 -0.12 0.00 0.11 0.00 0.00 30.24 27.55 1iie n GLN 184 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1iie s LYS 185 N 2.55 3.36 0.11 -1.09 -0.14 -1.26 -5.08 119.74 118.18 1iie s LYS 185 Ca 0.46 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 54.24 1iie s LYS 185 Cb 0.11 -2.81 -0.07 0.00 -1.68 0.00 0.00 37.83 33.39 1iie s LYS 185 CO -0.04 0.40 1.19 -1.25 -0.76 0.00 0.00 175.35 174.89 1iie s PRO 186 N -0.07 4.46 -1.42 -1.68 0.04 -1.26 -4.92 135.00 130.15 1iie s PRO 186 Ca 0.02 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1iie s PRO 186 Cb -0.13 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1iie s PRO 186 CO 0.03 -0.18 2.35 -2.37 0.04 0.00 0.00 177.00 176.86 1iie n THR 187 N 3.40 3.45 -3.77 1.26 5.66 -1.26 -4.85 114.28 118.17 1iie n THR 187 Ca 0.07 -2.75 -0.15 0.00 -3.05 0.00 0.00 64.05 58.17 1iie n THR 187 Cb 0.46 -2.57 -0.16 0.00 -1.55 0.00 0.00 70.33 66.51 1iie n THR 187 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iie s ASP 188 N 3.16 0.10 0.12 1.09 -1.08 -1.26 -5.15 116.67 113.65 1iie s ASP 188 Ca 0.52 0.04 0.05 0.00 -0.52 0.00 0.00 52.55 52.64 1iie s ASP 188 Cb 0.15 -0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.49 1iie s ASP 188 CO -0.06 -0.13 -0.11 0.00 0.52 0.00 0.00 175.17 175.38 1iie s ALA 189 N 1.10 1.33 0.72 3.66 0.00 -1.26 -5.14 121.76 122.17 1iie s ALA 189 Ca -0.09 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1iie s ALA 189 Cb -0.13 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1iie s ALA 189 CO -0.03 -0.02 1.07 -1.25 0.00 0.00 0.00 175.76 175.53 1iie s PRO 190 N -3.11 2.71 1.11 0.00 0.04 -1.26 -5.04 135.00 129.45 1iie s PRO 190 Ca 0.10 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1iie s PRO 190 Cb -0.01 -1.96 0.24 0.00 0.04 0.00 0.00 34.50 32.81 1iie s PRO 190 CO 0.01 -1.28 1.14 -1.25 0.04 0.00 0.00 177.00 175.66 1iie s PRO 191 N -5.00 -0.46 0.00 0.56 0.04 -1.26 -5.35 135.00 123.53 1iie s PRO 191 Ca 0.59 0.02 0.30 0.00 0.04 0.00 0.00 61.00 61.95 1iie s PRO 191 Cb -0.15 -1.68 1.49 0.00 0.04 0.00 0.00 34.50 34.21 1iie s PRO 191 CO 0.55 -3.22 1.99 1.17 0.04 0.00 0.00 177.00 177.54