#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ds2 s SER 149 N 0.00 2.27 0.54 3.42 0.15 -1.26 -4.96 113.70 113.86 3ds2 s SER 149 Ca 0.00 -0.55 0.25 0.00 0.70 0.00 0.00 55.95 56.34 3ds2 s SER 149 Cb 0.00 -0.16 1.42 0.00 -1.71 0.00 0.00 66.02 65.57 3ds2 s SER 149 CO 0.00 0.10 2.03 -0.29 1.20 0.00 0.00 173.24 176.27 3ds2 h ILE 150 N 4.32 0.71 0.00 6.45 6.09 -1.96 -0.67 117.51 132.45 3ds2 h ILE 150 Ca -0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 3ds2 h ILE 150 Cb 1.17 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.24 3ds2 h ILE 150 CO 0.43 0.00 0.00 -0.07 -3.07 0.00 0.00 178.15 175.44 3ds2 h LEU 151 N 0.00 0.00 -0.02 2.19 3.38 -2.00 -2.75 115.31 116.12 3ds2 h LEU 151 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ds2 h LEU 151 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ds2 h LEU 151 CO -0.00 0.00 -0.52 0.47 0.09 0.00 0.00 178.44 178.47 3ds2 n ASP 152 N -2.86 0.55 -4.55 -0.43 8.00 -0.26 -4.87 116.55 112.14 3ds2 n ASP 152 Ca -0.02 -0.32 -0.43 0.00 0.71 0.00 0.00 54.79 54.73 3ds2 n ASP 152 Cb 0.12 0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 3ds2 n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ds2 s ILE 153 N -2.98 4.55 -0.00 0.53 -1.09 -1.04 -5.00 121.20 116.16 3ds2 s ILE 153 Ca 0.11 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 59.09 3ds2 s ILE 153 Cb 0.17 -4.39 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 3ds2 s ILE 153 CO 0.70 -0.82 -0.07 0.00 -1.23 0.00 0.00 174.94 173.53 3ds2 s ARG 154 N 3.56 0.54 0.17 2.79 1.70 -1.26 -4.84 118.95 121.61 3ds2 s ARG 154 Ca 0.33 -0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 3ds2 s ARG 154 Cb -0.11 -0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 33.68 3ds2 s ARG 154 CO 0.24 0.14 1.18 -1.14 -1.08 0.00 0.00 175.30 174.63 3ds2 s GLN 155 N -0.27 4.51 0.73 3.89 0.74 -0.05 -5.02 119.66 124.18 3ds2 s GLN 155 Ca 0.02 1.83 -0.11 0.00 0.05 0.00 0.00 55.36 57.14 3ds2 s GLN 155 Cb -0.03 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.85 3ds2 s GLN 155 CO -0.00 -0.07 1.08 0.20 -0.55 0.00 0.00 175.29 175.95 3ds2 s GLY 156 N 0.17 1.75 0.44 2.59 0.00 -1.26 -4.41 107.32 106.60 3ds2 s GLY 156 Ca 0.53 0.25 0.16 0.00 0.00 0.00 0.00 44.72 45.66 3ds2 s GLY 156 CO 0.35 0.59 1.96 -0.56 0.00 0.00 0.00 173.10 175.44 3ds2 h PRO 157 N -0.80 0.00 -0.20 2.90 0.13 -2.01 -2.59 132.00 129.43 3ds2 h PRO 157 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ds2 h PRO 157 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ds2 h PRO 157 CO 0.53 0.22 0.00 1.63 -0.23 0.00 0.00 178.00 180.16 3ds2 n LYS 158 N -4.17 2.49 -2.53 0.86 5.02 -1.26 -4.88 118.16 113.69 3ds2 n LYS 158 Ca -0.02 -1.74 -0.42 0.00 -2.02 0.00 0.00 58.31 54.11 3ds2 n LYS 158 Cb 0.29 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3ds2 n LYS 158 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ds2 s GLU 159 N -0.94 4.42 0.32 1.97 2.12 -0.98 -0.70 118.70 124.91 3ds2 s GLU 159 Ca 0.15 1.61 -0.28 0.00 0.36 0.00 0.00 54.97 56.81 3ds2 s GLU 159 Cb 0.08 -3.48 -0.13 0.00 0.26 0.00 0.00 34.13 30.86 3ds2 s GLU 159 CO 0.10 -0.31 1.13 -2.30 -0.54 0.00 0.00 175.26 173.34 3ds2 n PRO 160 N 4.61 1.67 -0.32 4.30 -0.02 -1.26 -4.77 135.00 139.21 3ds2 n PRO 160 Ca 0.09 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 3ds2 n PRO 160 Cb 0.47 -2.06 0.19 0.00 -0.02 0.00 0.00 33.50 32.09 3ds2 n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ds2 h PHE 161 N 2.18 0.97 -0.91 6.00 3.57 -1.83 -1.37 116.94 125.56 3ds2 h PHE 161 Ca -0.43 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.16 3ds2 h PHE 161 Cb 1.32 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 3ds2 h PHE 161 CO 0.48 0.39 0.57 -0.09 -2.23 0.00 0.00 178.31 177.44 3ds2 h ARG 162 N 0.88 1.02 -0.48 1.11 2.43 -1.91 0.92 114.38 118.35 3ds2 h ARG 162 Ca 0.43 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.42 3ds2 h ARG 162 Cb 0.40 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3ds2 h ARG 162 CO -0.25 0.68 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.26 3ds2 h ASP 163 N 1.05 0.96 -0.07 -3.80 3.32 -1.64 -1.83 116.42 114.42 3ds2 h ASP 163 Ca 0.39 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3ds2 h ASP 163 Cb 0.15 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3ds2 h ASP 163 CO -0.17 1.12 -0.01 0.22 -1.72 0.00 0.00 179.24 178.69 3ds2 h TYR 164 N 0.83 0.14 -0.24 4.55 3.20 -0.61 -1.72 116.97 123.11 3ds2 h TYR 164 Ca 0.11 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3ds2 h TYR 164 Cb 0.75 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3ds2 h TYR 164 CO 0.05 0.42 -0.23 -0.24 -1.64 0.00 0.00 178.16 176.52 3ds2 h VAL 165 N -0.18 1.25 -0.65 1.81 3.04 -0.87 -0.26 116.25 120.40 3ds2 h VAL 165 Ca 0.02 -1.20 -0.00 0.00 -1.01 0.00 0.00 66.70 64.51 3ds2 h VAL 165 Cb 0.36 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 3ds2 h VAL 165 CO 0.00 0.38 0.41 0.44 -1.01 0.00 0.00 177.57 177.79 3ds2 h ASP 166 N 0.40 0.77 -0.42 3.17 3.32 -1.17 0.13 116.42 122.63 3ds2 h ASP 166 Ca 0.06 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3ds2 h ASP 166 Cb 0.62 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3ds2 h ASP 166 CO 0.04 0.59 0.13 0.03 -1.72 0.00 0.00 179.24 178.32 3ds2 h ARG 167 N 0.89 0.65 -0.14 3.56 3.08 -0.83 -1.32 114.38 120.26 3ds2 h ARG 167 Ca 0.24 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3ds2 h ARG 167 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3ds2 h ARG 167 CO -0.05 0.64 0.06 0.35 -1.07 0.00 0.00 179.97 179.90 3ds2 h PHE 168 N 0.53 0.20 -0.24 3.04 3.57 -0.70 -0.37 116.94 122.97 3ds2 h PHE 168 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3ds2 h PHE 168 Cb 0.25 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3ds2 h PHE 168 CO 0.01 0.26 0.08 0.00 -2.23 0.00 0.00 178.31 176.43 3ds2 h ALA 169 N 0.92 0.32 -0.53 2.41 0.00 -0.69 0.99 119.26 122.70 3ds2 h ALA 169 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ds2 h ALA 169 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ds2 h ALA 169 CO -0.01 -0.06 0.33 0.87 0.00 0.00 0.00 179.25 180.38 3ds2 h LYS 170 N 0.23 0.63 -0.54 0.00 1.57 -1.13 -0.52 116.57 116.81 3ds2 h LYS 170 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3ds2 h LYS 170 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ds2 h LYS 170 CO -0.00 0.42 0.04 1.15 -0.57 0.00 0.00 179.45 180.49 3ds2 h THR 171 N 0.65 1.25 -0.53 -0.16 2.02 -0.81 -2.69 112.91 112.64 3ds2 h THR 171 Ca 0.21 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 3ds2 h THR 171 Cb -0.01 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3ds2 h THR 171 CO -0.08 0.36 0.07 0.25 0.37 0.00 0.00 175.52 176.49 3ds2 h LEU 172 N 0.83 0.81 -1.30 2.58 5.85 -0.45 -1.39 115.31 122.25 3ds2 h LEU 172 Ca 0.16 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3ds2 h LEU 172 Cb 0.44 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3ds2 h LEU 172 CO 0.02 0.83 0.51 0.03 -0.34 0.00 0.00 178.44 179.49 3ds2 h ARG 173 N 0.81 0.84 0.00 1.25 3.08 -0.78 -2.18 114.38 117.40 3ds2 h ARG 173 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ds2 h ARG 173 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3ds2 h ARG 173 CO 0.01 0.55 -0.23 0.00 -1.07 0.00 0.00 179.97 179.23 3ds2 h ALA 174 N 1.57 0.88 -2.80 0.04 0.00 -1.14 -3.46 119.26 114.36 3ds2 h ALA 174 Ca 0.33 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.73 3ds2 h ALA 174 Cb 0.20 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ds2 h ALA 174 CO -0.11 0.00 0.54 -2.00 0.00 0.00 0.00 179.25 177.68 3ds2 s GLU 175 N -3.23 4.53 -0.20 0.00 2.56 -0.60 -4.99 118.70 116.78 3ds2 s GLU 175 Ca 0.06 1.94 -0.21 0.00 0.00 0.00 0.00 54.97 56.76 3ds2 s GLU 175 Cb 0.07 -3.16 -0.02 0.00 2.00 0.00 0.00 34.13 33.01 3ds2 s GLU 175 CO 0.69 0.04 0.63 -0.65 -0.56 0.00 0.00 175.26 175.41 3ds2 s GLN 176 N -1.32 4.20 -0.25 4.30 -1.52 -1.26 -4.98 119.66 118.83 3ds2 s GLN 176 Ca 0.47 0.61 -0.33 0.00 -1.95 0.00 0.00 55.36 54.16 3ds2 s GLN 176 Cb -0.34 -3.58 0.16 0.00 -0.22 0.00 0.00 33.01 29.03 3ds2 s GLN 176 CO 0.44 -0.25 1.29 0.00 -0.25 0.00 0.00 175.29 176.52 3ds2 s ALA 177 N 1.95 -2.11 0.95 6.09 0.00 -1.26 -5.09 121.76 122.29 3ds2 s ALA 177 Ca 0.28 1.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.93 3ds2 s ALA 177 Cb -0.16 -0.81 0.16 0.00 0.00 0.00 0.00 23.12 22.32 3ds2 s ALA 177 CO 0.10 -0.41 1.11 -1.54 0.00 0.00 0.00 175.76 175.02 3ds2 s SER 178 N -1.57 2.73 0.18 0.00 1.04 -1.26 -4.81 113.70 110.01 3ds2 s SER 178 Ca 0.09 1.94 -0.10 0.00 0.48 0.00 0.00 55.95 58.36 3ds2 s SER 178 Cb -0.01 -2.47 0.08 0.00 0.10 0.00 0.00 66.02 63.72 3ds2 s SER 178 CO -0.05 -3.18 1.68 -0.61 0.98 0.00 0.00 173.24 172.06 3ds2 h GLN 179 N -1.92 1.03 -0.81 4.02 5.75 -2.01 0.12 115.11 121.29 3ds2 h GLN 179 Ca -0.48 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 57.75 3ds2 h GLN 179 Cb 1.28 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 3ds2 h GLN 179 CO 0.46 0.96 0.51 1.49 -2.65 0.00 0.00 178.83 179.59 3ds2 h GLU 180 N 0.94 1.09 -0.64 1.69 4.81 -1.99 0.63 114.58 121.12 3ds2 h GLU 180 Ca 0.19 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3ds2 h GLU 180 Cb 0.42 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3ds2 h GLU 180 CO 0.01 0.76 0.17 0.28 -0.73 0.00 0.00 179.01 179.49 3ds2 h VAL 181 N 1.11 1.25 -1.00 0.32 2.07 -1.77 -1.17 116.25 117.07 3ds2 h VAL 181 Ca 0.29 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3ds2 h VAL 181 Cb -0.07 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3ds2 h VAL 181 CO -0.06 0.34 0.66 0.11 0.02 0.00 0.00 177.57 178.65 3ds2 h LYS 182 N 0.93 1.31 -0.64 1.57 1.57 -0.42 0.16 116.57 121.05 3ds2 h LYS 182 Ca 0.20 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3ds2 h LYS 182 Cb 0.34 -0.30 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3ds2 h LYS 182 CO -0.00 0.87 0.24 -0.91 -0.57 0.00 0.00 179.45 179.08 3ds2 h ASN 183 N 1.35 0.90 -0.55 0.86 2.35 -0.40 -1.02 115.58 119.08 3ds2 h ASN 183 Ca 0.37 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3ds2 h ASN 183 Cb -0.15 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 3ds2 h ASN 183 CO -0.08 0.84 0.02 -0.25 -1.65 0.00 0.00 177.43 176.30 3ds2 h TRP 184 N 0.91 1.06 -0.60 1.19 7.01 -0.60 0.06 115.95 124.99 3ds2 h TRP 184 Ca 0.21 -0.17 0.07 0.00 2.11 0.00 0.00 58.89 61.11 3ds2 h TRP 184 Cb 0.23 -0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 3ds2 h TRP 184 CO 0.02 0.94 0.29 0.52 -2.79 0.00 0.00 178.44 177.42 3ds2 h MET 185 N 0.91 0.52 -0.17 2.65 2.86 -0.40 0.11 114.93 121.42 3ds2 h MET 185 Ca 0.17 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3ds2 h MET 185 Cb 0.51 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3ds2 h MET 185 CO 0.02 0.34 -0.02 1.15 1.06 0.00 0.00 176.91 179.46 3ds2 h THR 186 N 0.53 1.28 0.00 2.22 2.02 -0.86 0.21 112.91 118.31 3ds2 h THR 186 Ca 0.28 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3ds2 h THR 186 Cb 0.24 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3ds2 h THR 186 CO -0.22 0.28 -0.19 1.05 0.37 0.00 0.00 175.52 176.81 3ds2 h GLU 187 N 0.03 0.00 0.00 6.66 4.11 -0.45 -2.75 114.58 122.18 3ds2 h GLU 187 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 3ds2 h GLU 187 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ds2 h GLU 187 CO 0.01 0.19 -1.88 2.41 0.07 0.00 0.00 179.01 179.82 3ds2 n THR 188 N -4.03 0.10 -0.01 -1.06 -1.04 0.35 -4.72 114.28 103.86 3ds2 n THR 188 Ca -0.02 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 61.53 3ds2 n THR 188 Cb 0.27 0.02 -0.02 0.00 -1.82 0.00 0.00 70.33 68.78 3ds2 n THR 188 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ds2 n LEU 189 N -2.19 0.00 0.17 -4.42 4.77 0.72 -4.37 117.00 111.68 3ds2 n LEU 189 Ca -0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 3ds2 n LEU 189 Cb 0.53 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 3ds2 n LEU 189 CO 0.39 0.05 0.68 0.25 -1.33 0.00 0.00 177.39 177.43 3ds2 h LEU 190 N 0.00 -0.33 -0.46 2.23 5.85 -1.60 -0.66 115.31 120.35 3ds2 h LEU 190 Ca -0.05 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 3ds2 h LEU 190 Cb 0.86 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3ds2 h LEU 190 CO 0.00 -0.11 -0.31 0.58 -0.34 0.00 0.00 178.44 178.26 3ds2 h VAL 191 N -0.54 1.27 -0.99 1.05 2.07 -1.85 -2.95 116.25 114.31 3ds2 h VAL 191 Ca -0.04 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.09 3ds2 h VAL 191 Cb 0.40 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 3ds2 h VAL 191 CO 0.06 0.50 0.64 -0.61 0.02 0.00 0.00 177.57 178.18 3ds2 h GLN 192 N 0.79 1.04 -0.41 1.57 4.15 -1.70 -2.33 115.11 118.22 3ds2 h GLN 192 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3ds2 h GLN 192 Cb 0.90 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3ds2 h GLN 192 CO 0.08 0.69 0.00 0.09 -1.93 0.00 0.00 178.83 177.76 3ds2 n ASN 193 N -4.55 3.42 -4.78 -0.69 3.02 -0.27 -4.95 115.26 106.45 3ds2 n ASN 193 Ca 0.17 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.44 3ds2 n ASN 193 Cb 0.27 -0.27 0.08 0.00 -0.61 0.00 0.00 39.78 39.26 3ds2 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ds2 s ALA 194 N -1.36 2.35 0.96 5.41 0.00 -0.88 -0.87 121.76 127.37 3ds2 s ALA 194 Ca 0.37 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 3ds2 s ALA 194 Cb 0.22 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.27 3ds2 s ALA 194 CO 0.30 -1.62 1.11 0.54 0.00 0.00 0.00 175.76 176.09 3ds2 s ASN 195 N -3.55 3.04 0.21 0.00 2.20 -1.26 -4.57 114.94 111.01 3ds2 s ASN 195 Ca 0.60 1.07 -0.10 0.00 -0.94 0.00 0.00 52.86 53.50 3ds2 s ASN 195 Cb -0.16 -1.70 0.19 0.00 -2.00 0.00 0.00 41.25 37.58 3ds2 s ASN 195 CO 0.56 -2.86 1.85 -0.65 -2.94 0.00 0.00 177.10 173.06 3ds2 h PRO 196 N -1.70 0.84 -0.23 3.55 0.11 -1.94 0.25 132.00 132.86 3ds2 h PRO 196 Ca -0.53 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.41 3ds2 h PRO 196 Cb 1.33 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ds2 h PRO 196 CO 0.60 0.55 -0.32 -0.44 -0.21 0.00 0.00 178.00 178.18 3ds2 h ASP 197 N 0.86 0.69 -0.47 -2.05 3.45 -1.96 -1.76 116.42 115.19 3ds2 h ASP 197 Ca 0.28 -0.51 -0.13 0.00 0.43 0.00 0.00 57.03 57.10 3ds2 h ASP 197 Cb 0.02 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3ds2 h ASP 197 CO -0.11 1.06 -0.23 0.00 -1.57 0.00 0.00 179.24 178.39 3ds2 h LYS 199 N 0.84 0.69 -0.71 0.00 3.64 -0.49 0.14 116.57 120.68 3ds2 h LYS 199 Ca 0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3ds2 h LYS 199 Cb 0.81 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3ds2 h LYS 199 CO 0.07 0.46 0.29 1.15 -2.27 0.00 0.00 179.45 179.15 3ds2 h THR 200 N 0.72 1.25 -0.25 1.00 2.02 -1.16 -1.05 112.91 115.43 3ds2 h THR 200 Ca 0.23 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 3ds2 h THR 200 Cb -0.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3ds2 h THR 200 CO -0.08 0.31 -0.14 0.40 0.37 0.00 0.00 175.52 176.37 3ds2 h ILE 201 N 1.01 1.30 -0.83 3.11 2.04 -0.75 -2.38 117.51 121.02 3ds2 h ILE 201 Ca 0.24 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.86 3ds2 h ILE 201 Cb 0.21 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3ds2 h ILE 201 CO -0.02 0.39 0.55 -0.07 0.00 0.00 0.00 178.15 179.00 3ds2 h LEU 202 N 0.25 0.95 -1.24 1.44 3.38 -0.50 -1.10 115.31 118.49 3ds2 h LEU 202 Ca 0.05 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3ds2 h LEU 202 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ds2 h LEU 202 CO 0.04 0.69 -0.38 0.11 0.09 0.00 0.00 178.44 178.99 3ds2 h LYS 203 N 1.13 0.00 0.00 1.13 1.57 -0.88 -1.93 116.57 117.58 3ds2 h LYS 203 Ca 0.30 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3ds2 h LYS 203 Cb -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3ds2 h LYS 203 CO -0.07 0.38 -0.13 0.00 -0.57 0.00 0.00 179.45 179.06 3ds2 h ALA 204 N 1.62 0.96 0.11 3.86 0.00 -0.70 -2.84 119.26 122.27 3ds2 h ALA 204 Ca -0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 3ds2 h ALA 204 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ds2 h ALA 204 CO 0.05 0.16 -1.19 -0.07 0.00 0.00 0.00 179.25 178.20 3ds2 h LEU 205 N 0.00 0.59 0.00 0.00 3.38 -0.95 -3.51 115.31 114.82 3ds2 h LEU 205 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3ds2 h LEU 205 Cb 0.85 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ds2 h LEU 205 CO 0.02 1.41 0.00 0.61 0.09 0.00 0.00 178.44 180.57 3ds2 n GLY 206 N 1.37 1.67 0.30 0.83 0.00 -1.05 -4.55 105.19 103.75 3ds2 n GLY 206 Ca -0.10 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.11 3ds2 n GLY 206 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ds2 h PRO 207 N 0.00 0.00 0.00 1.61 0.11 -1.89 -2.64 132.00 129.19 3ds2 h PRO 207 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ds2 h PRO 207 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ds2 h PRO 207 CO 0.00 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.23 3ds2 n GLY 208 N -1.04 -0.95 3.76 -0.55 0.00 -1.26 -4.95 105.19 100.20 3ds2 n GLY 208 Ca -0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3ds2 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ds2 s ALA 209 N -2.00 3.55 0.48 4.61 0.00 -1.00 -5.02 121.76 122.38 3ds2 s ALA 209 Ca 0.25 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 3ds2 s ALA 209 Cb 0.11 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3ds2 s ALA 209 CO 0.19 -0.71 0.76 0.95 0.00 0.00 0.00 175.76 176.95 3ds2 s THR 210 N -0.72 4.59 0.22 0.00 -4.23 -1.26 -4.94 115.64 109.30 3ds2 s THR 210 Ca 0.53 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 3ds2 s THR 210 Cb -0.41 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 69.85 3ds2 s THR 210 CO 0.50 -0.68 1.79 0.25 -0.54 0.00 0.00 174.62 175.95 3ds2 h LEU 211 N 0.24 0.51 -0.68 4.79 5.85 -1.99 -0.26 115.31 123.78 3ds2 h LEU 211 Ca -0.47 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 3ds2 h LEU 211 Cb 1.22 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3ds2 h LEU 211 CO 0.61 0.31 0.18 -0.08 -0.34 0.00 0.00 178.44 179.12 3ds2 h GLU 212 N 0.65 1.07 -0.51 1.25 4.57 -1.99 -0.26 114.58 119.35 3ds2 h GLU 212 Ca 0.33 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3ds2 h GLU 212 Cb 0.30 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3ds2 h GLU 212 CO -0.23 0.95 0.17 1.49 -1.18 0.00 0.00 179.01 180.20 3ds2 h GLU 213 N 1.00 0.79 -0.38 1.92 4.81 -1.80 -1.03 114.58 119.90 3ds2 h GLU 213 Ca 0.21 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3ds2 h GLU 213 Cb 0.35 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3ds2 h GLU 213 CO -0.00 0.73 0.16 0.52 -0.73 0.00 0.00 179.01 179.68 3ds2 h MET 214 N 0.70 0.32 -0.52 1.92 2.86 -0.68 -0.33 114.93 119.19 3ds2 h MET 214 Ca 0.17 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3ds2 h MET 214 Cb 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3ds2 h MET 214 CO -0.01 0.21 0.12 0.52 1.06 0.00 0.00 176.91 178.81 3ds2 h MET 215 N 0.33 0.84 -0.27 1.72 2.86 -0.83 -1.64 114.93 117.94 3ds2 h MET 215 Ca 0.17 -0.21 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 3ds2 h MET 215 Cb 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3ds2 h MET 215 CO -0.15 0.81 -0.40 1.15 1.06 0.00 0.00 176.91 179.38 3ds2 h THR 216 N 0.73 1.29 0.00 2.22 2.02 -1.05 -1.76 112.91 116.37 3ds2 h THR 216 Ca 0.16 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 3ds2 h THR 216 Cb 0.35 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3ds2 h THR 216 CO 0.00 0.50 -0.35 0.00 0.37 0.00 0.00 175.52 176.04 3ds2 h ALA 217 N 1.03 1.26 -0.02 6.16 0.00 -0.82 -2.95 119.26 123.91 3ds2 h ALA 217 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ds2 h ALA 217 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ds2 h ALA 217 CO 0.08 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 3ds2 h GLN 219 N 3.91 0.00 0.00 0.00 3.07 -1.14 -2.07 115.11 118.88 3ds2 h GLN 219 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ds2 h GLN 219 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 3ds2 h GLN 219 CO 0.00 0.04 0.00 0.78 0.09 0.00 0.00 178.83 179.74 3ds2 h GLY 220 N 0.15 0.00 -4.55 0.06 0.00 -1.83 -3.48 103.07 93.42 3ds2 h GLY 220 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3ds2 h GLY 220 CO 0.01 0.00 0.03 0.14 0.00 0.00 0.00 176.54 176.72 3ds2 s VAL 221 N -3.48 4.67 0.00 4.60 1.01 -0.78 -4.92 120.40 121.51 3ds2 s VAL 221 Ca 0.03 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3ds2 s VAL 221 Cb 0.09 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3ds2 s VAL 221 CO 0.51 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.73 3ds2 n GLY 222 N 1.84 -2.29 0.00 4.51 0.00 -1.26 -4.51 105.19 103.47 3ds2 n GLY 222 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3ds2 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ds2 n GLY 223 N -0.14 3.39 0.33 -0.02 0.00 0.12 -4.94 105.19 103.93 3ds2 n GLY 223 Ca 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.91 3ds2 n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ds2 h PRO 224 N 0.00 0.75 -0.92 1.61 0.13 -1.96 -3.38 132.00 128.23 3ds2 h PRO 224 Ca 0.00 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.18 3ds2 h PRO 224 Cb 0.00 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 30.92 3ds2 h PRO 224 CO 0.00 0.51 -0.27 0.41 -0.23 0.00 0.00 178.00 178.42 3ds2 n GLY 225 N -1.43 -2.29 0.00 1.56 0.00 -1.26 -4.32 105.19 97.46 3ds2 n GLY 225 Ca 0.05 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.80 3ds2 n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ds2 n HIS 226 N -2.91 0.02 0.88 1.61 8.25 -1.26 -3.05 115.22 118.76 3ds2 n HIS 226 Ca -0.01 0.01 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 3ds2 n HIS 226 Cb 0.18 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.72 3ds2 n HIS 226 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ds2 n LYS 227 N -1.52 0.08 -2.22 -0.41 5.02 -1.26 -4.95 118.16 112.91 3ds2 n LYS 227 Ca 0.05 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3ds2 n LYS 227 Cb 0.27 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3ds2 n LYS 227 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ds2 s ALA 228 N -3.06 3.54 -0.37 7.82 0.00 -1.17 -4.99 121.76 123.53 3ds2 s ALA 228 Ca 0.07 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 3ds2 s ALA 228 Cb 0.16 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3ds2 s ALA 228 CO 0.85 -0.56 0.26 1.03 0.00 0.00 0.00 175.76 177.34 3ds2 s ARG 229 N 0.61 3.31 -0.23 0.00 1.81 -1.26 -4.91 118.95 118.29 3ds2 s ARG 229 Ca 0.61 -0.78 -0.00 0.00 -1.72 0.00 0.00 55.73 53.84 3ds2 s ARG 229 Cb -0.36 -3.87 -0.19 0.00 -0.45 0.00 0.00 34.95 30.08 3ds2 s ARG 229 CO 0.33 -0.55 -0.08 0.28 -0.68 0.00 0.00 175.30 174.60 3ds2 n VAL 230 N 5.13 1.56 0.08 3.52 0.31 -1.26 -5.28 118.33 122.39 3ds2 n VAL 230 Ca -0.12 -0.59 0.01 0.00 -0.01 0.00 0.00 64.34 63.63 3ds2 n VAL 230 Cb 0.49 -1.50 0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3ds2 n VAL 230 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69