#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhh s PRO 124 N 0.00 -0.50 0.71 3.49 0.02 -1.26 -4.98 135.00 132.48 1bhh s PRO 124 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 1bhh s PRO 124 Cb 0.00 -1.67 0.03 0.00 0.02 0.00 0.00 34.50 32.88 1bhh s PRO 124 CO 0.00 -3.26 1.14 -1.21 -0.33 0.00 0.00 177.00 173.34 1bhh s GLU 125 N -5.33 2.44 0.58 5.54 0.41 -1.26 -4.89 118.70 116.18 1bhh s GLU 125 Ca 0.69 1.50 0.29 0.00 -0.41 0.00 0.00 54.97 57.04 1bhh s GLU 125 Cb -0.12 -1.90 1.46 0.00 -1.78 0.00 0.00 34.13 31.80 1bhh s GLU 125 CO 0.56 -1.55 1.89 -1.35 -0.49 0.00 0.00 175.26 174.31 1bhh h PRO 126 N -0.28 0.00 0.00 0.39 0.11 -2.02 -0.44 132.00 129.76 1bhh h PRO 126 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1bhh h PRO 126 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bhh h PRO 126 CO 0.52 0.00 -0.63 -2.67 -0.21 0.00 0.00 178.00 175.01 1bhh n TRP 127 N -3.81 0.48 -3.62 0.65 4.27 -1.26 -4.71 117.44 109.43 1bhh n TRP 127 Ca 0.10 0.14 -0.36 0.00 -3.89 0.00 0.00 57.50 53.49 1bhh n TRP 127 Cb 0.73 -0.60 -0.09 0.00 -1.36 0.00 0.00 31.31 29.99 1bhh n TRP 127 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1bhh s PHE 128 N -3.15 3.36 -0.21 -2.67 2.19 -0.18 -0.92 117.98 116.41 1bhh s PHE 128 Ca 0.07 0.35 -0.03 0.00 0.33 0.00 0.00 56.93 57.65 1bhh s PHE 128 Cb 0.14 -2.29 -0.00 0.00 -1.31 0.00 0.00 43.02 39.56 1bhh s PHE 128 CO 0.72 0.13 -0.08 -0.06 1.83 0.00 0.00 175.22 177.76 1bhh s PHE 129 N 0.86 2.91 0.03 10.12 0.40 -0.82 -4.60 117.98 126.89 1bhh s PHE 129 Ca 0.10 -1.05 -0.22 0.00 -0.60 0.00 0.00 56.93 55.17 1bhh s PHE 129 Cb -0.13 -2.05 -0.12 0.00 0.51 0.00 0.00 43.02 41.23 1bhh s PHE 129 CO 0.03 -0.57 1.33 0.87 0.70 0.00 0.00 175.22 177.58 1bhh h LYS 130 N 7.97 -0.76 -2.93 0.44 1.57 -1.98 -3.37 116.57 117.52 1bhh h LYS 130 Ca -0.41 0.05 -0.75 0.00 -1.87 0.00 0.00 60.65 57.67 1bhh h LYS 130 Cb 1.16 0.17 -0.32 0.00 0.08 0.00 0.00 32.23 33.32 1bhh h LYS 130 CO 0.61 -0.50 0.29 0.09 -0.57 0.00 0.00 179.45 179.37 1bhh n ASN 131 N -4.11 5.35 -4.03 0.86 3.02 -1.26 -4.76 115.26 110.34 1bhh n ASN 131 Ca -0.10 -3.32 -0.29 0.00 -0.03 0.00 0.00 54.58 50.84 1bhh n ASN 131 Cb 0.31 -1.12 -0.17 0.00 -0.61 0.00 0.00 39.78 38.19 1bhh n ASN 131 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bhh s LEU 132 N -2.27 1.67 0.78 3.41 2.96 -1.26 -5.06 118.68 118.91 1bhh s LEU 132 Ca 0.32 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1bhh s LEU 132 Cb 0.03 -1.13 0.10 0.00 0.50 0.00 0.00 46.19 45.70 1bhh s LEU 132 CO 0.01 -0.03 1.11 -0.94 -1.32 0.00 0.00 176.35 175.18 1bhh s SER 133 N 1.30 4.32 0.07 3.68 1.04 -1.26 -4.75 113.70 118.11 1bhh s SER 133 Ca 0.00 0.36 -0.21 0.00 0.48 0.00 0.00 55.95 56.59 1bhh s SER 133 Cb -0.14 -0.81 -0.11 0.00 0.10 0.00 0.00 66.02 65.06 1bhh s SER 133 CO -0.07 -1.94 1.56 -0.09 0.98 0.00 0.00 173.24 173.68 1bhh h ARG 134 N -0.90 0.26 -0.00 4.02 2.43 -1.98 0.14 114.38 118.34 1bhh h ARG 134 Ca -0.44 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1bhh h ARG 134 Cb 1.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1bhh h ARG 134 CO 0.54 0.41 -0.11 -0.22 -1.51 0.00 0.00 179.97 179.08 1bhh h LYS 135 N 0.06 -0.17 0.00 0.20 3.64 -1.99 -0.01 116.57 118.29 1bhh h LYS 135 Ca 0.05 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1bhh h LYS 135 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1bhh h LYS 135 CO 0.00 -0.12 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.30 1bhh h ASP 136 N -0.18 0.00 -0.01 4.20 3.32 -1.93 -1.69 116.42 120.13 1bhh h ASP 136 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1bhh h ASP 136 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1bhh h ASP 136 CO -0.11 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 1bhh h ALA 137 N 1.68 0.01 -0.58 3.45 0.00 -0.37 -2.12 119.26 121.32 1bhh h ALA 137 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1bhh h ALA 137 Cb 0.70 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1bhh h ALA 137 CO 0.04 -0.35 0.31 1.49 0.00 0.00 0.00 179.25 180.74 1bhh h GLU 138 N -0.26 0.57 -0.67 0.00 4.81 -0.44 -0.99 114.58 117.59 1bhh h GLU 138 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1bhh h GLU 138 Cb 0.28 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1bhh h GLU 138 CO 0.00 0.37 0.36 0.00 -0.73 0.00 0.00 179.01 179.01 1bhh h ARG 139 N 0.58 0.63 0.37 1.92 3.08 -1.26 -1.11 114.38 118.60 1bhh h ARG 139 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1bhh h ARG 139 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1bhh h ARG 139 CO -0.17 0.42 -0.32 1.96 -1.07 0.00 0.00 179.97 180.79 1bhh h GLN 140 N 0.65 -0.67 -0.38 0.04 4.20 -0.50 -2.56 115.11 115.89 1bhh h GLN 140 Ca 0.31 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.00 1bhh h GLN 140 Cb 0.23 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1bhh h GLN 140 CO -0.21 -0.45 -0.05 -0.07 -0.67 0.00 0.00 178.83 177.39 1bhh h LEU 141 N -0.70 0.60 -0.09 1.46 3.38 -1.10 -2.83 115.31 116.03 1bhh h LEU 141 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1bhh h LEU 141 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bhh h LEU 141 CO -0.03 0.70 0.00 0.18 0.09 0.00 0.00 178.44 179.38 1bhh n LEU 142 N -4.22 0.41 -4.68 1.67 4.77 -0.44 -4.54 117.00 109.96 1bhh n LEU 142 Ca 0.02 0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 1bhh n LEU 142 Cb 0.30 -0.44 0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1bhh n LEU 142 CO 0.40 -0.17 0.65 0.00 -1.33 0.00 0.00 177.39 176.94 1bhh s ALA 143 N -3.08 1.22 0.57 -1.18 0.00 -0.97 -4.97 121.76 113.35 1bhh s ALA 143 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 1bhh s ALA 143 Cb 0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1bhh s ALA 143 CO 0.51 -2.64 1.30 -1.25 0.00 0.00 0.00 175.76 173.68 1bhh s PRO 144 N -4.83 3.03 0.00 0.00 0.04 -1.26 -3.40 135.00 128.58 1bhh s PRO 144 Ca 0.65 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1bhh s PRO 144 Cb -0.20 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1bhh s PRO 144 CO 0.58 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1bhh n GLY 145 N 0.70 3.18 3.78 0.56 0.00 -1.26 -4.94 105.19 107.21 1bhh n GLY 145 Ca 0.12 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1bhh n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bhh s ASN 146 N 0.00 6.88 0.36 1.61 0.01 -1.22 -4.96 114.94 117.61 1bhh s ASN 146 Ca 0.00 2.01 0.03 0.00 -0.71 0.00 0.00 52.86 54.19 1bhh s ASN 146 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1bhh s ASN 146 CO 0.00 -0.40 0.08 -0.89 -1.51 0.00 0.00 177.10 174.38 1bhh s THR 147 N -1.65 0.96 0.49 1.60 2.01 -1.26 -5.03 115.64 112.76 1bhh s THR 147 Ca 0.56 -2.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.33 1bhh s THR 147 Cb -0.21 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 1bhh s THR 147 CO 0.27 0.00 1.14 1.41 -0.69 0.00 0.00 174.62 176.75 1bhh n HIS 148 N -0.77 1.59 0.00 4.92 8.25 -1.26 -1.52 115.22 126.43 1bhh n HIS 148 Ca -0.04 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1bhh n HIS 148 Cb 0.66 -2.28 0.00 0.00 1.12 0.00 0.00 29.99 29.49 1bhh n HIS 148 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhh n GLY 149 N 1.02 2.65 3.77 -1.41 0.00 0.14 -4.77 105.19 106.59 1bhh n GLY 149 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1bhh n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhh s SER 150 N -1.79 6.36 0.33 1.61 0.01 -0.57 -0.45 113.70 119.19 1bhh s SER 150 Ca 0.00 2.77 -0.08 0.00 1.31 0.00 0.00 55.95 59.95 1bhh s SER 150 Cb 0.00 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1bhh s SER 150 CO 0.00 -0.83 0.55 0.72 0.41 0.00 0.00 173.24 174.09 1bhh s PHE 151 N -1.20 0.67 -0.04 2.43 -0.71 -0.70 -1.08 117.98 117.36 1bhh s PHE 151 Ca 0.55 -1.04 -0.30 0.00 -1.04 0.00 0.00 56.93 55.11 1bhh s PHE 151 Cb -0.41 0.19 0.08 0.00 -1.21 0.00 0.00 43.02 41.68 1bhh s PHE 151 CO 0.53 -1.20 0.73 -0.48 -1.34 0.00 0.00 175.22 173.47 1bhh s LEU 152 N -3.14 -0.59 0.03 -1.99 0.05 -0.56 0.44 118.68 112.92 1bhh s LEU 152 Ca 0.25 0.53 0.07 0.00 0.05 0.00 0.00 54.13 55.03 1bhh s LEU 152 Cb -0.02 2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 46.51 1bhh s LEU 152 CO 0.15 -0.62 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.53 1bhh s ILE 153 N -1.63 2.84 0.07 1.48 1.01 -0.10 -1.12 121.20 123.76 1bhh s ILE 153 Ca -0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1bhh s ILE 153 Cb -0.00 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1bhh s ILE 153 CO 0.05 0.36 0.14 0.00 0.00 0.00 0.00 174.94 175.49 1bhh s ARG 154 N -1.37 0.77 0.28 2.79 1.70 -0.03 -1.94 118.95 121.15 1bhh s ARG 154 Ca 0.14 -0.96 0.07 0.00 -0.47 0.00 0.00 55.73 54.51 1bhh s ARG 154 Cb -0.11 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1bhh s ARG 154 CO 0.05 -0.22 0.26 -2.00 -1.08 0.00 0.00 175.30 172.30 1bhh s GLU 155 N -3.67 2.93 0.13 3.89 2.12 -1.26 -0.58 118.70 122.25 1bhh s GLU 155 Ca 0.04 -1.10 -0.31 0.00 0.36 0.00 0.00 54.97 53.97 1bhh s GLU 155 Cb 0.05 -2.58 -0.07 0.00 0.26 0.00 0.00 34.13 31.78 1bhh s GLU 155 CO -0.10 0.29 1.28 -1.12 -0.54 0.00 0.00 175.26 175.08 1bhh s SER 156 N -3.92 6.96 0.40 -1.70 0.01 0.73 -4.79 113.70 111.39 1bhh s SER 156 Ca 0.36 2.24 0.15 0.00 1.31 0.00 0.00 55.95 60.01 1bhh s SER 156 Cb -0.07 -2.59 0.86 0.00 0.21 0.00 0.00 66.02 64.42 1bhh s SER 156 CO 0.26 -0.52 1.89 -0.33 0.41 0.00 0.00 173.24 174.95 1bhh h GLU 157 N 6.21 0.00 -0.14 12.44 5.08 -1.91 -3.08 114.58 133.19 1bhh h GLU 157 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1bhh h GLU 157 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1bhh h GLU 157 CO 0.81 0.30 0.00 -1.13 -1.00 0.00 0.00 179.01 177.99 1bhh n SER 158 N -4.08 2.47 -3.45 1.42 3.41 -1.26 -4.92 113.62 107.21 1bhh n SER 158 Ca -0.02 -1.71 -0.16 0.00 -0.26 0.00 0.00 58.87 56.72 1bhh n SER 158 Cb 0.36 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 1bhh n SER 158 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bhh s THR 159 N -1.14 -0.39 0.07 6.66 -1.32 -1.16 -5.13 115.64 113.21 1bhh s THR 159 Ca 0.20 -0.14 -0.31 0.00 -1.21 0.00 0.00 61.69 60.24 1bhh s THR 159 Cb 0.13 -0.73 -0.07 0.00 -1.51 0.00 0.00 72.50 70.31 1bhh s THR 159 CO 0.19 -0.21 1.50 0.00 -2.21 0.00 0.00 174.62 173.89 1bhh s ALA 160 N 2.38 3.64 0.00 11.08 0.00 -1.26 -3.23 121.76 134.37 1bhh s ALA 160 Ca 0.08 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1bhh s ALA 160 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1bhh s ALA 160 CO -0.15 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1bhh n GLY 161 N 3.74 0.41 3.60 0.00 0.00 -1.26 -5.05 105.19 106.63 1bhh n GLY 161 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1bhh n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhh s SER 162 N -2.66 6.00 0.32 1.61 0.01 -1.20 -4.93 113.70 112.85 1bhh s SER 162 Ca 0.00 0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.37 1bhh s SER 162 Cb 0.00 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1bhh s SER 162 CO 0.00 -0.02 -0.05 -0.36 0.41 0.00 0.00 173.24 173.23 1bhh s PHE 163 N 1.55 2.49 0.02 2.43 0.08 -1.26 -0.19 117.98 123.10 1bhh s PHE 163 Ca 0.07 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.63 1bhh s PHE 163 Cb -0.15 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1bhh s PHE 163 CO 0.09 0.56 0.19 -1.12 -0.10 0.00 0.00 175.22 174.84 1bhh s SER 164 N -3.65 0.01 -0.06 1.36 0.01 0.25 -1.57 113.70 110.05 1bhh s SER 164 Ca 0.33 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1bhh s SER 164 Cb -0.01 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1bhh s SER 164 CO 0.18 -0.49 -0.04 -0.22 0.41 0.00 0.00 173.24 173.08 1bhh s LEU 165 N -1.81 3.34 -0.07 2.44 2.96 0.30 -0.85 118.68 125.00 1bhh s LEU 165 Ca -0.09 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1bhh s LEU 165 Cb -0.03 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1bhh s LEU 165 CO -0.01 0.35 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.83 1bhh s SER 166 N -0.99 1.65 -0.04 3.68 0.01 -0.27 -0.59 113.70 117.15 1bhh s SER 166 Ca 0.14 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1bhh s SER 166 Cb -0.11 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.40 1bhh s SER 166 CO 0.03 -0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 172.96 1bhh s VAL 167 N 0.88 0.37 0.18 3.43 1.01 -0.79 -1.50 120.40 123.98 1bhh s VAL 167 Ca -0.11 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1bhh s VAL 167 Cb -0.15 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1bhh s VAL 167 CO 0.01 0.18 1.35 -0.60 0.00 0.00 0.00 175.10 176.05 1bhh s ARG 168 N 0.89 4.35 0.00 2.72 6.06 -0.24 -1.47 118.95 131.27 1bhh s ARG 168 Ca -0.11 2.09 0.00 0.00 -2.50 0.00 0.00 55.73 55.22 1bhh s ARG 168 Cb -0.14 -3.20 0.00 0.00 0.06 0.00 0.00 34.95 31.67 1bhh s ARG 168 CO -0.01 -0.33 0.00 -3.47 -2.50 0.00 0.00 175.30 168.99 1bhh n ASP 169 N 3.04 0.00 -3.64 -2.12 2.03 0.78 -0.68 116.55 115.95 1bhh n ASP 169 Ca 0.08 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.19 1bhh n ASP 169 Cb 0.42 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.66 1bhh n ASP 169 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1bhh s PHE 170 N -2.91 -0.02 -0.32 -0.67 5.36 -1.26 -1.69 117.98 116.47 1bhh s PHE 170 Ca 0.00 0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 56.04 1bhh s PHE 170 Cb 0.00 -0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 1bhh s PHE 170 CO 0.00 -0.31 0.62 0.34 -1.46 0.00 0.00 175.22 174.42 1bhh s ASP 171 N 2.22 6.47 0.31 6.13 -1.08 0.04 -4.92 116.67 125.83 1bhh s ASP 171 Ca 0.04 0.33 -0.30 0.00 -0.52 0.00 0.00 52.55 52.11 1bhh s ASP 171 Cb -0.13 -2.33 -0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1bhh s ASP 171 CO -0.06 -0.51 1.60 0.00 0.52 0.00 0.00 175.17 176.72 1bhh n GLN 172 N 5.91 2.74 -2.34 4.34 6.02 -1.26 -0.30 117.38 132.49 1bhh n GLN 172 Ca -0.01 0.97 -0.07 0.00 -0.01 0.00 0.00 57.00 57.88 1bhh n GLN 172 Cb 0.49 -2.76 0.03 0.00 1.02 0.00 0.00 30.24 29.02 1bhh n GLN 172 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bhh n ASN 173 N 1.98 -3.82 0.00 1.08 3.02 -1.26 -4.73 115.26 111.52 1bhh n ASN 173 Ca 0.08 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1bhh n ASN 173 Cb 0.37 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1bhh n ASN 173 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1bhh n GLN 174 N -2.30 0.00 0.00 3.52 7.27 -1.02 -5.14 117.38 119.70 1bhh n GLN 174 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1bhh n GLN 174 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1bhh n GLN 174 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bhh n GLY 175 N 0.00 -0.37 3.62 1.69 0.00 0.59 -4.89 105.19 105.83 1bhh n GLY 175 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1bhh n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bhh s GLU 176 N 0.00 3.67 0.28 1.61 2.02 -1.26 -0.78 118.70 124.25 1bhh s GLU 176 Ca 0.00 1.65 0.05 0.00 0.02 0.00 0.00 54.97 56.69 1bhh s GLU 176 Cb 0.00 -4.09 -0.06 0.00 0.10 0.00 0.00 34.13 30.08 1bhh s GLU 176 CO 0.00 -1.45 0.00 0.14 0.02 0.00 0.00 175.26 173.97 1bhh s VAL 177 N 5.70 1.29 -0.29 2.63 -7.23 -0.68 -4.93 120.40 116.88 1bhh s VAL 177 Ca 0.75 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1bhh s VAL 177 Cb -0.25 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1bhh s VAL 177 CO 0.31 -0.19 0.03 -0.69 -0.31 0.00 0.00 175.10 174.25 1bhh s VAL 178 N -3.24 3.47 0.29 1.32 1.01 -1.26 -0.15 120.40 121.83 1bhh s VAL 178 Ca 0.32 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1bhh s VAL 178 Cb 0.06 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 1bhh s VAL 178 CO 0.12 0.05 0.70 -0.54 0.00 0.00 0.00 175.10 175.43 1bhh s LYS 179 N 1.40 3.98 -0.16 2.72 1.02 -0.54 -4.90 119.74 123.26 1bhh s LYS 179 Ca 0.00 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1bhh s LYS 179 Cb -0.18 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1bhh s LYS 179 CO -0.00 0.21 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.48 1bhh s HIS 180 N -1.91 2.33 -0.11 3.18 3.76 -1.26 -1.88 115.29 119.40 1bhh s HIS 180 Ca 0.52 -1.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.05 1bhh s HIS 180 Cb -0.11 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1bhh s HIS 180 CO 0.18 -0.71 0.00 0.71 -0.85 0.00 0.00 174.74 174.08 1bhh s TYR 181 N 1.43 3.15 -0.24 1.40 1.51 0.24 -4.95 117.35 119.89 1bhh s TYR 181 Ca 0.04 0.08 -0.25 0.00 -1.01 0.00 0.00 57.07 55.93 1bhh s TYR 181 Cb -0.13 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1bhh s TYR 181 CO -0.11 0.32 0.85 0.21 -1.11 0.00 0.00 175.55 175.72 1bhh s LYS 182 N -0.46 4.19 -0.36 -0.62 2.36 -1.26 -0.53 119.74 123.05 1bhh s LYS 182 Ca 0.08 0.99 -0.23 0.00 -2.55 0.00 0.00 55.97 54.26 1bhh s LYS 182 Cb -0.12 -3.65 0.01 0.00 -1.05 0.00 0.00 37.83 33.02 1bhh s LYS 182 CO 0.02 -0.53 0.75 0.42 1.55 0.00 0.00 175.35 177.56 1bhh s ILE 183 N 2.88 4.77 0.22 5.43 1.01 -0.61 -4.47 121.20 130.43 1bhh s ILE 183 Ca 0.36 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 1bhh s ILE 183 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1bhh s ILE 183 CO 0.07 -0.39 0.42 -0.13 0.00 0.00 0.00 174.94 174.91 1bhh s ARG 184 N 3.00 3.53 -0.13 2.79 0.52 0.19 -4.12 118.95 124.74 1bhh s ARG 184 Ca 0.30 -0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 1bhh s ARG 184 Cb -0.14 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 1bhh s ARG 184 CO 0.16 0.36 0.23 -0.80 0.02 0.00 0.00 175.30 175.27 1bhh s ASN 185 N -3.20 6.43 -0.40 0.23 0.01 -1.26 -1.29 114.94 115.45 1bhh s ASN 185 Ca 0.39 0.50 -0.16 0.00 -0.71 0.00 0.00 52.86 52.88 1bhh s ASN 185 Cb -0.11 -2.14 0.02 0.00 0.41 0.00 0.00 41.25 39.43 1bhh s ASN 185 CO 0.29 0.24 0.39 -0.76 -1.51 0.00 0.00 177.10 175.76 1bhh s LEU 186 N -0.23 4.84 0.08 0.60 1.43 0.41 -4.94 118.68 120.88 1bhh s LEU 186 Ca 0.15 -0.64 -0.35 0.00 -1.03 0.00 0.00 54.13 52.26 1bhh s LEU 186 Cb -0.13 -2.33 -0.15 0.00 0.03 0.00 0.00 46.19 43.61 1bhh s LEU 186 CO 0.04 -0.51 1.54 0.47 0.23 0.00 0.00 176.35 178.12 1bhh n ASP 187 N 5.47 2.62 -1.78 2.29 9.92 -1.26 -1.91 116.55 131.89 1bhh n ASP 187 Ca -0.08 1.08 -0.05 0.00 -0.53 0.00 0.00 54.79 55.21 1bhh n ASP 187 Cb 0.48 -1.33 0.03 0.00 -0.64 0.00 0.00 41.12 39.66 1bhh n ASP 187 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1bhh n ASN 188 N 3.61 -2.22 -0.26 -2.24 5.03 -1.26 -4.88 115.26 113.03 1bhh n ASN 188 Ca 0.19 -0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1bhh n ASN 188 Cb 0.25 -1.92 0.00 0.00 -1.02 0.00 0.00 39.78 37.09 1bhh n ASN 188 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bhh n GLY 189 N -1.10 -1.82 0.00 7.41 0.00 -0.80 -5.16 105.19 103.72 1bhh n GLY 189 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1bhh n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhh n GLY 190 N 1.01 3.81 3.18 -0.02 0.00 -1.21 -4.57 105.19 107.39 1bhh n GLY 190 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1bhh n GLY 190 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhh s PHE 191 N -2.31 0.41 -0.24 1.61 0.08 -0.81 -0.44 117.98 116.28 1bhh s PHE 191 Ca 0.00 -0.86 -0.29 0.00 0.12 0.00 0.00 56.93 55.91 1bhh s PHE 191 Cb 0.00 -0.22 0.16 0.00 -0.57 0.00 0.00 43.02 42.39 1bhh s PHE 191 CO 0.00 -0.52 1.20 1.52 -0.10 0.00 0.00 175.22 177.31 1bhh s TYR 192 N -3.93 -0.21 -0.14 0.36 1.13 -0.41 -1.79 117.35 112.36 1bhh s TYR 192 Ca 0.11 0.41 0.02 0.00 -1.41 0.00 0.00 57.07 56.19 1bhh s TYR 192 Cb 0.06 0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 41.28 1bhh s TYR 192 CO -0.07 -0.17 -0.11 -0.89 -2.51 0.00 0.00 175.55 171.80 1bhh n ILE 193 N 0.91 0.82 -4.49 -3.49 5.41 -1.26 0.57 119.36 117.83 1bhh n ILE 193 Ca -0.07 -0.33 -0.34 0.00 1.00 0.00 0.00 62.75 63.01 1bhh n ILE 193 Cb 0.58 -0.98 -0.11 0.00 -0.71 0.00 0.00 39.64 38.42 1bhh n ILE 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1bhh s SER 194 N -5.30 4.86 0.03 4.38 0.15 -1.26 -4.89 113.70 111.67 1bhh s SER 194 Ca -0.18 -0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1bhh s SER 194 Cb 0.05 -1.45 0.43 0.00 -1.71 0.00 0.00 66.02 63.34 1bhh s SER 194 CO 0.34 0.31 1.31 -2.65 1.20 0.00 0.00 173.24 173.75 1bhh n PRO 195 N 2.61 0.02 0.07 5.44 -0.02 -1.26 -1.69 135.00 140.17 1bhh n PRO 195 Ca -0.18 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1bhh n PRO 195 Cb 0.53 -1.55 0.09 0.00 -0.02 0.00 0.00 33.50 32.55 1bhh n PRO 195 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1bhh h ARG 196 N 0.00 0.00 -3.01 -0.52 9.65 -2.02 -3.45 114.38 115.03 1bhh h ARG 196 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 1bhh h ARG 196 Cb 0.15 0.00 -0.37 0.00 -1.39 0.00 0.00 29.97 28.36 1bhh h ARG 196 CO 0.00 0.00 -0.66 -1.50 2.80 0.00 0.00 179.97 180.61 1bhh s ILE 197 N -3.23 -0.24 0.24 1.20 1.10 -0.68 -5.15 121.20 114.43 1bhh s ILE 197 Ca 0.04 0.23 0.09 0.00 -0.51 0.00 0.00 60.65 60.50 1bhh s ILE 197 Cb 0.12 -0.38 -0.04 0.00 0.15 0.00 0.00 42.46 42.32 1bhh s ILE 197 CO 0.76 0.05 -0.05 0.42 -2.11 0.00 0.00 174.94 174.01 1bhh s THR 198 N 2.27 3.30 0.08 4.00 -4.23 -1.26 -4.40 115.64 115.41 1bhh s THR 198 Ca 0.04 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1bhh s THR 198 Cb -0.13 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1bhh s THR 198 CO -0.07 -0.30 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.26 1bhh s PHE 199 N -2.15 0.94 -0.96 3.99 0.08 -0.74 -5.01 117.98 114.13 1bhh s PHE 199 Ca 0.29 -0.64 0.28 0.00 0.12 0.00 0.00 56.93 56.98 1bhh s PHE 199 Cb -0.07 -0.53 0.98 0.00 -0.57 0.00 0.00 43.02 42.83 1bhh s PHE 199 CO 0.18 -0.04 1.76 -0.35 -0.10 0.00 0.00 175.22 176.67 1bhh n PRO 200 N 0.77 0.04 -3.93 0.24 -0.04 -1.26 -1.93 135.00 128.89 1bhh n PRO 200 Ca -0.18 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1bhh n PRO 200 Cb 0.57 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1bhh n PRO 200 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bhh s GLY 201 N -3.08 0.38 0.24 0.55 0.00 -1.26 -4.18 107.32 99.98 1bhh s GLY 201 Ca 0.13 -0.75 0.12 0.00 0.00 0.00 0.00 44.72 44.22 1bhh s GLY 201 CO 0.59 -0.65 1.48 1.41 0.00 0.00 0.00 173.10 175.92 1bhh h LEU 202 N 2.37 0.00 -0.46 0.66 3.38 -1.96 -2.82 115.31 116.48 1bhh h LEU 202 Ca -0.29 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1bhh h LEU 202 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1bhh h LEU 202 CO 0.42 0.67 -0.05 0.45 0.09 0.00 0.00 178.44 180.02 1bhh h HIS 203 N 0.00 0.94 0.00 1.13 3.86 -1.98 0.87 115.15 119.97 1bhh h HIS 203 Ca -0.01 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1bhh h HIS 203 Cb 1.37 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1bhh h HIS 203 CO 0.00 0.91 -0.07 0.93 0.86 0.00 0.00 177.93 180.57 1bhh h GLU 204 N 0.70 0.00 0.06 2.45 3.07 -1.95 0.40 114.58 119.30 1bhh h GLU 204 Ca 0.13 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1bhh h GLU 204 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1bhh h GLU 204 CO 0.03 0.07 -0.03 1.25 -1.40 0.00 0.00 179.01 178.93 1bhh h LEU 205 N 0.00 -0.07 -2.06 1.33 6.46 -1.08 -1.96 115.31 117.93 1bhh h LEU 205 Ca -0.00 -0.57 -0.02 0.00 -0.12 0.00 0.00 57.88 57.17 1bhh h LEU 205 Cb 0.50 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1bhh h LEU 205 CO 0.01 0.62 -0.09 0.58 -0.62 0.00 0.00 178.44 178.94 1bhh h VAL 206 N -0.85 0.65 -0.01 1.05 2.07 -0.27 -2.25 116.25 116.65 1bhh h VAL 206 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1bhh h VAL 206 Cb 0.63 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1bhh h VAL 206 CO 0.01 0.08 -0.07 -0.09 0.02 0.00 0.00 177.57 177.53 1bhh h ARG 207 N 0.00 0.05 0.16 1.57 2.43 -0.23 -2.93 114.38 115.43 1bhh h ARG 207 Ca -0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1bhh h ARG 207 Cb 0.21 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1bhh h ARG 207 CO 0.01 0.77 -0.47 1.25 -1.51 0.00 0.00 179.97 180.02 1bhh h HIS 208 N -0.64 -1.35 0.00 2.20 2.76 -0.96 -2.61 115.15 114.54 1bhh h HIS 208 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1bhh h HIS 208 Cb 0.79 0.57 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1bhh h HIS 208 CO 0.18 -0.57 0.00 1.88 -1.30 0.00 0.00 177.93 178.12 1bhh h TYR 209 N -0.74 0.00 0.05 5.26 0.05 -1.52 0.38 116.97 120.45 1bhh h TYR 209 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.55 1bhh h TYR 209 Cb 0.74 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.48 1bhh h TYR 209 CO -0.39 0.00 -1.05 1.15 -1.05 0.00 0.00 178.16 176.82 1bhh h THR 210 N 0.00 1.49 0.00 -2.88 2.02 -1.28 -0.27 112.91 111.99 1bhh h THR 210 Ca 0.00 -2.80 -0.08 0.00 0.77 0.00 0.00 66.41 64.30 1bhh h THR 210 Cb 0.12 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1bhh h THR 210 CO 0.00 0.82 -1.47 0.59 0.37 0.00 0.00 175.52 175.83 1bhh n ASN 211 N -3.61 0.60 -3.41 4.18 3.02 0.12 -4.45 115.26 111.71 1bhh n ASN 211 Ca -0.06 0.25 -0.16 0.00 -0.03 0.00 0.00 54.58 54.58 1bhh n ASN 211 Cb 0.91 0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 40.72 1bhh n ASN 211 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bhh s ALA 212 N -3.19 -0.55 0.31 5.41 0.00 0.11 -5.03 121.76 118.83 1bhh s ALA 212 Ca -0.04 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1bhh s ALA 212 Cb 0.10 -1.66 0.88 0.00 0.00 0.00 0.00 23.12 22.43 1bhh s ALA 212 CO 0.83 -1.50 1.51 -1.13 0.00 0.00 0.00 175.76 175.46 1bhh n SER 213 N 5.32 0.00 -4.17 0.00 3.41 -1.26 -4.20 113.62 112.73 1bhh n SER 213 Ca -0.03 1.62 -0.37 0.00 -0.26 0.00 0.00 58.87 59.83 1bhh n SER 213 Cb 0.48 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1bhh n SER 213 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bhh n ASP 214 N -5.36 -1.50 0.00 4.04 2.03 -1.26 -1.91 116.55 112.58 1bhh n ASP 214 Ca 0.26 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1bhh n ASP 214 Cb 0.87 -1.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1bhh n ASP 214 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhh n GLY 215 N -2.30 0.72 3.96 0.27 0.00 -1.26 -5.02 105.19 101.55 1bhh n GLY 215 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1bhh n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhh s LEU 216 N 0.00 4.18 0.16 0.99 1.43 -0.80 -4.97 118.68 119.67 1bhh s LEU 216 Ca 0.00 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1bhh s LEU 216 Cb 0.00 -3.05 0.35 0.00 0.03 0.00 0.00 46.19 43.52 1bhh s LEU 216 CO 0.00 -0.18 0.84 0.00 0.23 0.00 0.00 176.35 177.25 1bhh n THR 218 N -4.73 0.00 -2.89 0.00 5.66 -1.26 -5.09 114.28 105.96 1bhh n THR 218 Ca 0.11 -0.38 -0.32 0.00 -3.05 0.00 0.00 64.05 60.41 1bhh n THR 218 Cb 0.36 0.52 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 1bhh n THR 218 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bhh s ARG 219 N -2.03 4.08 0.39 1.09 1.04 -1.26 -4.68 118.95 117.58 1bhh s ARG 219 Ca 0.15 0.89 -0.26 0.00 -1.04 0.00 0.00 55.73 55.47 1bhh s ARG 219 Cb -0.02 -2.28 -0.09 0.00 -2.04 0.00 0.00 34.95 30.52 1bhh s ARG 219 CO 0.04 0.01 1.28 -0.51 -0.04 0.00 0.00 175.30 176.08 1bhh s LEU 220 N -3.25 4.24 0.00 -1.89 1.43 -0.11 -4.37 118.68 114.73 1bhh s LEU 220 Ca 0.58 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1bhh s LEU 220 Cb -0.10 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1bhh s LEU 220 CO 0.18 -0.77 0.00 -0.24 0.23 0.00 0.00 176.35 175.75 1bhh n SER 221 N 0.22 0.00 -4.84 2.29 2.88 0.40 -4.31 113.62 110.26 1bhh n SER 221 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1bhh n SER 221 Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 1bhh n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bhh s ARG 222 N 2.35 4.03 0.73 -1.46 1.70 -1.26 -4.84 118.95 120.21 1bhh s ARG 222 Ca 0.00 0.65 -0.15 0.00 -0.47 0.00 0.00 55.73 55.76 1bhh s ARG 222 Cb 0.00 -2.60 0.04 0.00 -0.57 0.00 0.00 34.95 31.82 1bhh s ARG 222 CO 0.00 0.25 1.19 -2.14 -1.08 0.00 0.00 175.30 173.53 1bhh s PRO 223 N -2.66 2.15 -0.17 3.89 0.02 -1.26 -1.72 135.00 135.25 1bhh s PRO 223 Ca 0.50 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 1bhh s PRO 223 Cb -0.12 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1bhh s PRO 223 CO 0.19 -1.82 2.15 0.00 -0.33 0.00 0.00 177.00 177.18 1bhh s GLN 225 N 5.79 4.47 0.00 0.00 2.00 -1.26 -5.00 119.66 125.65 1bhh s GLN 225 Ca 0.99 1.02 0.08 0.00 -2.00 0.00 0.00 55.36 55.44 1bhh s GLN 225 Cb -0.43 -3.45 0.07 0.00 0.80 0.00 0.00 33.01 30.00 1bhh s GLN 225 CO 0.39 0.03 0.76 0.25 -0.50 0.00 0.00 175.29 176.23