#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ds1 s SER 149 N 0.00 1.65 0.57 8.00 0.15 -1.26 -4.98 113.70 117.83 3ds1 s SER 149 Ca 0.00 -0.45 0.26 0.00 0.70 0.00 0.00 55.95 56.46 3ds1 s SER 149 Cb 0.00 -0.11 1.55 0.00 -1.71 0.00 0.00 66.02 65.76 3ds1 s SER 149 CO 0.00 0.03 2.08 -0.29 1.20 0.00 0.00 173.24 176.26 3ds1 h ILE 150 N 4.51 0.59 0.00 6.45 6.09 -1.97 -0.77 117.51 132.41 3ds1 h ILE 150 Ca -0.38 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3ds1 h ILE 150 Cb 1.18 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 3ds1 h ILE 150 CO 0.44 0.00 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.43 3ds1 h LEU 151 N 0.00 0.00 -0.26 2.19 3.38 -2.00 -2.57 115.31 116.05 3ds1 h LEU 151 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ds1 h LEU 151 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ds1 h LEU 151 CO -0.00 0.01 -0.20 0.47 0.09 0.00 0.00 178.44 178.81 3ds1 n ASP 152 N -3.13 0.61 -4.60 -0.43 8.00 -0.29 -4.85 116.55 111.85 3ds1 n ASP 152 Ca -0.00 -0.55 -0.41 0.00 0.71 0.00 0.00 54.79 54.54 3ds1 n ASP 152 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 3ds1 n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ds1 s ILE 153 N -2.59 4.97 0.00 0.53 -1.09 -0.97 -5.03 121.20 117.03 3ds1 s ILE 153 Ca 0.24 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 3ds1 s ILE 153 Cb 0.19 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3ds1 s ILE 153 CO 0.52 -0.08 0.03 0.00 -1.23 0.00 0.00 174.94 174.19 3ds1 s ARG 154 N 2.53 0.27 0.19 2.79 1.70 -1.26 -4.86 118.95 120.30 3ds1 s ARG 154 Ca 0.24 -0.36 -0.31 0.00 -0.47 0.00 0.00 55.73 54.84 3ds1 s ARG 154 Cb -0.15 0.10 -0.09 0.00 -0.57 0.00 0.00 34.95 34.24 3ds1 s ARG 154 CO 0.11 -0.05 1.43 -1.14 -1.08 0.00 0.00 175.30 174.56 3ds1 s GLN 155 N -0.99 4.30 0.82 3.89 0.74 -0.51 -4.99 119.66 122.92 3ds1 s GLN 155 Ca -0.11 2.20 -0.13 0.00 0.05 0.00 0.00 55.36 57.38 3ds1 s GLN 155 Cb -0.07 -3.17 0.09 0.00 1.10 0.00 0.00 33.01 30.96 3ds1 s GLN 155 CO -0.00 -0.43 1.19 0.20 -0.55 0.00 0.00 175.29 175.70 3ds1 s GLY 156 N 0.71 2.08 0.41 2.59 0.00 -1.26 -4.45 107.32 107.40 3ds1 s GLY 156 Ca 0.62 0.79 0.12 0.00 0.00 0.00 0.00 44.72 46.26 3ds1 s GLY 156 CO 0.36 1.21 1.95 -0.56 0.00 0.00 0.00 173.10 176.07 3ds1 h PRO 157 N -1.05 0.49 0.00 2.90 0.13 -2.02 -2.49 132.00 129.97 3ds1 h PRO 157 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ds1 h PRO 157 Cb 1.29 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ds1 h PRO 157 CO 0.46 0.33 -0.00 1.63 -0.23 0.00 0.00 178.00 180.18 3ds1 n LYS 158 N -4.48 2.58 -2.23 0.86 5.02 -1.26 -4.88 118.16 113.76 3ds1 n LYS 158 Ca 0.11 -1.54 -0.41 0.00 -2.02 0.00 0.00 58.31 54.45 3ds1 n LYS 158 Cb 0.38 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 3ds1 n LYS 158 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ds1 s GLU 159 N -1.12 4.39 0.22 1.97 2.12 -0.94 -4.65 118.70 120.69 3ds1 s GLU 159 Ca 0.03 2.04 -0.32 0.00 0.36 0.00 0.00 54.97 57.08 3ds1 s GLU 159 Cb 0.03 -3.21 -0.14 0.00 0.26 0.00 0.00 34.13 31.08 3ds1 s GLU 159 CO 0.00 -0.26 1.45 -2.30 -0.54 0.00 0.00 175.26 173.62 3ds1 n PRO 160 N 2.77 2.06 -0.30 4.30 -0.02 -1.26 -4.77 135.00 137.79 3ds1 n PRO 160 Ca 0.07 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3ds1 n PRO 160 Cb 0.43 -2.43 0.24 0.00 -0.02 0.00 0.00 33.50 31.73 3ds1 n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ds1 h PHE 161 N 4.65 0.77 -0.64 6.00 3.57 -1.83 -0.29 116.94 129.17 3ds1 h PHE 161 Ca -0.45 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.18 3ds1 h PHE 161 Cb 1.27 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3ds1 h PHE 161 CO 0.58 0.15 0.43 0.07 -2.23 0.00 0.00 178.31 177.30 3ds1 h ARG 162 N 0.59 0.50 -0.18 1.11 -0.00 -1.92 -0.26 114.38 114.22 3ds1 h ARG 162 Ca 0.49 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.98 60.27 3ds1 h ARG 162 Cb 0.74 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.60 3ds1 h ARG 162 CO -0.39 0.33 -0.54 -0.44 -0.00 0.00 0.00 179.97 178.93 3ds1 h ASP 163 N 0.51 0.78 -0.53 0.08 5.19 -1.43 -2.75 116.42 118.28 3ds1 h ASP 163 Ca 0.29 -0.59 -0.05 0.00 -0.62 0.00 0.00 57.03 56.07 3ds1 h ASP 163 Cb 0.48 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3ds1 h ASP 163 CO -0.09 1.23 0.15 0.22 -3.12 0.00 0.00 179.24 177.64 3ds1 h TYR 164 N 0.36 0.86 -0.77 4.55 3.20 -0.76 -1.84 116.97 122.58 3ds1 h TYR 164 Ca -0.02 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.77 3ds1 h TYR 164 Cb 1.16 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 3ds1 h TYR 164 CO 0.09 0.74 0.51 0.28 -1.64 0.00 0.00 178.16 178.14 3ds1 h VAL 165 N 0.73 1.19 -0.43 1.81 2.07 -1.10 0.47 116.25 120.98 3ds1 h VAL 165 Ca 0.17 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3ds1 h VAL 165 Cb 0.30 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3ds1 h VAL 165 CO -0.00 0.19 0.24 -0.78 0.02 0.00 0.00 177.57 177.24 3ds1 h ASP 166 N 1.03 0.38 -0.63 0.57 1.82 -1.15 0.98 116.42 119.41 3ds1 h ASP 166 Ca 0.28 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.85 3ds1 h ASP 166 Cb -0.11 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 3ds1 h ASP 166 CO -0.07 0.27 0.08 0.03 -1.61 0.00 0.00 179.24 177.94 3ds1 h ARG 167 N 0.48 1.06 -0.19 0.28 3.08 -0.76 -1.17 114.38 117.16 3ds1 h ARG 167 Ca 0.18 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3ds1 h ARG 167 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ds1 h ARG 167 CO -0.10 1.00 0.10 0.35 -1.07 0.00 0.00 179.97 180.25 3ds1 h PHE 168 N 0.97 0.27 -0.28 3.04 3.57 -0.47 -1.52 116.94 122.51 3ds1 h PHE 168 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3ds1 h PHE 168 Cb 0.47 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3ds1 h PHE 168 CO 0.03 0.26 0.12 -0.92 -2.23 0.00 0.00 178.31 175.58 3ds1 h TYR 169 N 0.20 0.23 -0.85 0.41 3.20 -0.59 -0.00 116.97 119.56 3ds1 h TYR 169 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ds1 h TYR 169 Cb 0.09 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3ds1 h TYR 169 CO -0.03 0.12 0.55 0.87 -1.64 0.00 0.00 178.16 178.02 3ds1 h LYS 170 N 0.27 1.13 -0.31 1.82 1.57 -0.96 -0.35 116.57 119.73 3ds1 h LYS 170 Ca 0.12 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 3ds1 h LYS 170 Cb 0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3ds1 h LYS 170 CO -0.10 0.76 -0.48 1.15 -0.57 0.00 0.00 179.45 180.22 3ds1 h THR 171 N 1.16 1.28 -0.10 -0.16 2.02 -1.06 -3.18 112.91 112.88 3ds1 h THR 171 Ca 0.31 -1.66 -0.12 0.00 0.77 0.00 0.00 66.41 65.71 3ds1 h THR 171 Cb -0.11 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3ds1 h THR 171 CO -0.06 0.54 -0.48 0.25 0.37 0.00 0.00 175.52 176.14 3ds1 h LEU 172 N 0.67 0.26 -1.03 2.58 5.85 -0.34 -2.08 115.31 121.22 3ds1 h LEU 172 Ca 0.03 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3ds1 h LEU 172 Cb 1.06 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 3ds1 h LEU 172 CO 0.11 0.71 0.64 0.03 -0.34 0.00 0.00 178.44 179.58 3ds1 h ARG 173 N 0.20 1.10 0.00 1.25 3.08 -1.06 -2.46 114.38 116.49 3ds1 h ARG 173 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3ds1 h ARG 173 Cb 0.93 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3ds1 h ARG 173 CO 0.08 0.73 -0.23 0.00 -1.07 0.00 0.00 179.97 179.48 3ds1 h ALA 174 N 1.47 0.87 -2.81 0.04 0.00 -1.45 -3.47 119.26 113.92 3ds1 h ALA 174 Ca 0.44 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.82 3ds1 h ALA 174 Cb 0.22 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.09 3ds1 h ALA 174 CO -0.18 0.00 0.87 -2.00 0.00 0.00 0.00 179.25 177.93 3ds1 s GLU 175 N -3.19 4.13 -0.79 0.00 2.56 -0.83 -4.93 118.70 115.64 3ds1 s GLU 175 Ca 0.07 2.55 -0.19 0.00 0.00 0.00 0.00 54.97 57.40 3ds1 s GLU 175 Cb 0.09 -3.03 0.12 0.00 2.00 0.00 0.00 34.13 33.32 3ds1 s GLU 175 CO 0.67 -0.60 0.96 -0.65 -0.56 0.00 0.00 175.26 175.08 3ds1 s GLN 176 N -0.65 3.39 0.17 4.30 -1.52 -1.26 -4.95 119.66 119.14 3ds1 s GLN 176 Ca 0.62 -1.58 -0.16 0.00 -1.95 0.00 0.00 55.36 52.29 3ds1 s GLN 176 Cb -0.47 -4.59 0.02 0.00 -0.22 0.00 0.00 33.01 27.76 3ds1 s GLN 176 CO 0.49 -1.67 0.45 0.00 -0.25 0.00 0.00 175.29 174.31 3ds1 s ALA 177 N 2.63 -0.79 0.65 6.09 0.00 -1.26 -5.15 121.76 123.93 3ds1 s ALA 177 Ca 0.24 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 3ds1 s ALA 177 Cb -0.12 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 3ds1 s ALA 177 CO -0.02 -0.73 1.14 -1.54 0.00 0.00 0.00 175.76 174.61 3ds1 s SER 178 N -2.87 4.98 0.25 0.00 1.04 -1.26 -4.80 113.70 111.04 3ds1 s SER 178 Ca 0.08 2.15 -0.03 0.00 0.48 0.00 0.00 55.95 58.63 3ds1 s SER 178 Cb 0.01 -2.57 0.49 0.00 0.10 0.00 0.00 66.02 64.05 3ds1 s SER 178 CO -0.05 -1.73 1.74 -0.61 0.98 0.00 0.00 173.24 173.57 3ds1 h GLN 179 N 0.19 0.47 -0.40 4.02 4.15 -1.99 0.84 115.11 122.39 3ds1 h GLN 179 Ca -0.48 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 58.93 3ds1 h GLN 179 Cb 1.27 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 3ds1 h GLN 179 CO 0.53 0.31 0.23 1.49 -1.93 0.00 0.00 178.83 179.47 3ds1 h GLU 180 N 0.48 0.46 -0.78 1.69 4.81 -2.00 -0.27 114.58 118.98 3ds1 h GLU 180 Ca 0.43 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3ds1 h GLU 180 Cb 0.66 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3ds1 h GLU 180 CO -0.40 0.30 0.28 0.28 -0.73 0.00 0.00 179.01 178.74 3ds1 h VAL 181 N 0.47 1.26 -0.45 0.32 2.07 -1.72 -2.20 116.25 116.00 3ds1 h VAL 181 Ca 0.16 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3ds1 h VAL 181 Cb 0.01 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ds1 h VAL 181 CO -0.07 0.35 0.09 0.11 0.02 0.00 0.00 177.57 178.06 3ds1 h LYS 182 N 1.14 0.69 -0.59 1.57 1.57 -0.10 0.21 116.57 121.07 3ds1 h LYS 182 Ca 0.25 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3ds1 h LYS 182 Cb 0.26 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3ds1 h LYS 182 CO -0.01 0.64 0.28 -0.91 -0.57 0.00 0.00 179.45 178.88 3ds1 h ASN 183 N 0.67 0.77 -0.40 0.86 2.35 -0.74 -1.22 115.58 117.88 3ds1 h ASN 183 Ca 0.15 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3ds1 h ASN 183 Cb 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3ds1 h ASN 183 CO 0.00 0.69 0.01 -0.25 -1.65 0.00 0.00 177.43 176.23 3ds1 h TRP 184 N 0.80 0.76 -0.80 1.19 7.01 -0.78 -0.40 115.95 123.73 3ds1 h TRP 184 Ca 0.20 -0.13 0.08 0.00 2.11 0.00 0.00 58.89 61.15 3ds1 h TRP 184 Cb 0.13 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.92 3ds1 h TRP 184 CO -0.00 0.77 0.47 0.52 -2.79 0.00 0.00 178.44 177.41 3ds1 h MET 185 N 0.52 0.80 -0.45 2.65 2.86 -0.44 -0.93 114.93 119.95 3ds1 h MET 185 Ca 0.11 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 3ds1 h MET 185 Cb 0.47 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3ds1 h MET 185 CO 0.02 0.53 -0.20 1.15 1.06 0.00 0.00 176.91 179.47 3ds1 h THR 186 N 0.83 1.27 0.00 2.22 2.02 -0.86 0.75 112.91 119.14 3ds1 h THR 186 Ca 0.37 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3ds1 h THR 186 Cb 0.26 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3ds1 h THR 186 CO -0.21 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.14 3ds1 h ALA 187 N 0.85 1.00 0.00 6.16 0.00 -0.54 -3.22 119.26 123.51 3ds1 h ALA 187 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3ds1 h ALA 187 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ds1 h ALA 187 CO 0.06 0.00 -1.44 0.25 0.00 0.00 0.00 179.25 178.13 3ds1 n THR 188 N -2.98 0.58 0.10 0.00 -2.24 -0.40 -4.84 114.28 104.49 3ds1 n THR 188 Ca 0.01 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 3ds1 n THR 188 Cb 0.28 -1.64 0.04 0.00 -2.10 0.00 0.00 70.33 66.91 3ds1 n THR 188 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ds1 h LEU 189 N -0.34 0.06 -0.01 3.22 3.38 -0.99 -2.15 115.31 118.49 3ds1 h LEU 189 Ca -0.22 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ds1 h LEU 189 Cb 1.14 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3ds1 h LEU 189 CO -0.13 0.83 0.00 0.25 0.09 0.00 0.00 178.44 179.48 3ds1 h LEU 190 N 0.03 0.01 -0.25 1.67 5.85 -1.63 0.01 115.31 121.00 3ds1 h LEU 190 Ca -0.02 -0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 3ds1 h LEU 190 Cb 1.40 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3ds1 h LEU 190 CO 0.11 0.10 -0.54 0.58 -0.34 0.00 0.00 178.44 178.35 3ds1 h VAL 191 N -0.08 1.29 -0.89 1.05 2.07 -1.80 -3.02 116.25 114.87 3ds1 h VAL 191 Ca 0.00 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.85 3ds1 h VAL 191 Cb 0.09 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3ds1 h VAL 191 CO -0.00 0.56 0.56 -0.61 0.02 0.00 0.00 177.57 178.10 3ds1 h GLN 192 N 0.57 1.00 -0.68 1.57 4.15 -1.08 -2.56 115.11 118.07 3ds1 h GLN 192 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3ds1 h GLN 192 Cb 1.15 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.62 3ds1 h GLN 192 CO 0.12 0.66 0.00 0.09 -1.93 0.00 0.00 178.83 177.77 3ds1 n ASN 193 N -4.59 3.95 -4.75 -0.69 3.02 -0.04 -4.91 115.26 107.26 3ds1 n ASN 193 Ca 0.13 -2.12 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 3ds1 n ASN 193 Cb 0.16 -0.49 0.10 0.00 -0.61 0.00 0.00 39.78 38.94 3ds1 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ds1 s ALA 194 N -1.30 2.15 0.81 5.41 0.00 -0.97 -1.43 121.76 126.44 3ds1 s ALA 194 Ca 0.47 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 3ds1 s ALA 194 Cb 0.26 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 20.13 3ds1 s ALA 194 CO 0.29 -1.85 1.09 0.54 0.00 0.00 0.00 175.76 175.83 3ds1 s ASN 195 N -2.96 4.20 0.27 0.00 2.20 -1.26 -4.68 114.94 112.71 3ds1 s ASN 195 Ca 0.65 1.65 0.00 0.00 -0.94 0.00 0.00 52.86 54.22 3ds1 s ASN 195 Cb -0.20 -2.36 0.61 0.00 -2.00 0.00 0.00 41.25 37.30 3ds1 s ASN 195 CO 0.52 -2.20 1.72 -0.65 -2.94 0.00 0.00 177.10 173.55 3ds1 h PRO 196 N -1.25 0.46 -0.37 3.55 0.11 -1.95 0.13 132.00 132.69 3ds1 h PRO 196 Ca -0.46 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 3ds1 h PRO 196 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ds1 h PRO 196 CO 0.53 0.31 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.84 3ds1 h ASP 197 N 0.48 0.91 -0.05 -2.05 3.32 -1.95 -2.06 116.42 115.02 3ds1 h ASP 197 Ca 0.50 -0.40 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 3ds1 h ASP 197 Cb 0.83 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ds1 h ASP 197 CO -0.45 1.16 -0.63 0.00 -1.72 0.00 0.00 179.24 177.60 3ds1 h LYS 199 N 0.49 0.65 -0.25 0.00 3.64 -0.82 0.37 116.57 120.64 3ds1 h LYS 199 Ca -0.01 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3ds1 h LYS 199 Cb 1.22 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 3ds1 h LYS 199 CO 0.12 0.43 -0.16 1.15 -2.27 0.00 0.00 179.45 178.72 3ds1 h THR 200 N 0.67 0.53 -0.72 1.00 2.02 -1.42 -1.31 112.91 113.68 3ds1 h THR 200 Ca 0.19 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3ds1 h THR 200 Cb -0.05 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3ds1 h THR 200 CO -0.05 0.00 0.47 0.40 0.37 0.00 0.00 175.52 176.70 3ds1 h ILE 201 N -0.15 1.16 -0.37 3.11 2.04 -1.36 -2.39 117.51 119.55 3ds1 h ILE 201 Ca 0.14 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 3ds1 h ILE 201 Cb 0.36 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3ds1 h ILE 201 CO -0.34 0.17 -0.16 -0.07 0.00 0.00 0.00 178.15 177.75 3ds1 h LEU 202 N 0.94 0.78 -1.08 1.44 3.38 -0.49 -1.87 115.31 118.41 3ds1 h LEU 202 Ca 0.27 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ds1 h LEU 202 Cb -0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3ds1 h LEU 202 CO -0.07 1.01 0.59 0.11 0.09 0.00 0.00 178.44 180.17 3ds1 h LYS 203 N 0.56 1.21 -0.65 1.13 1.79 -1.19 -2.67 116.57 116.75 3ds1 h LYS 203 Ca 0.08 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3ds1 h LYS 203 Cb 0.70 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 3ds1 h LYS 203 CO 0.05 0.81 0.22 0.00 -1.08 0.00 0.00 179.45 179.45 3ds1 h ALA 204 N 1.41 0.85 -0.15 3.86 0.00 -1.00 -2.74 119.26 121.49 3ds1 h ALA 204 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ds1 h ALA 204 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ds1 h ALA 204 CO -0.07 0.50 0.03 -0.07 0.00 0.00 0.00 179.25 179.65 3ds1 h LEU 205 N 0.93 0.18 0.00 0.00 3.38 -1.00 -3.48 115.31 115.31 3ds1 h LEU 205 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ds1 h LEU 205 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ds1 h LEU 205 CO -0.01 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3ds1 n GLY 206 N -1.34 0.12 0.21 0.83 0.00 -1.03 -4.45 105.19 99.52 3ds1 n GLY 206 Ca -0.01 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.34 3ds1 n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ds1 h PRO 207 N 0.00 0.00 -0.01 1.61 0.13 -1.89 -2.75 132.00 129.09 3ds1 h PRO 207 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ds1 h PRO 207 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ds1 h PRO 207 CO 0.00 0.00 -0.02 0.41 -0.23 0.00 0.00 178.00 178.16 3ds1 n GLY 208 N 0.39 -0.31 3.76 1.56 0.00 -1.26 -4.93 105.19 104.40 3ds1 n GLY 208 Ca 0.02 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3ds1 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ds1 s ALA 209 N -2.06 3.12 0.51 4.61 0.00 -1.04 -5.04 121.76 121.85 3ds1 s ALA 209 Ca 0.39 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.65 3ds1 s ALA 209 Cb 0.21 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3ds1 s ALA 209 CO 0.36 -1.12 0.78 0.95 0.00 0.00 0.00 175.76 176.74 3ds1 s THR 210 N -1.27 4.14 0.18 0.00 -4.23 -1.26 -4.95 115.64 108.25 3ds1 s THR 210 Ca 0.63 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 3ds1 s THR 210 Cb -0.41 -3.58 0.08 0.00 1.34 0.00 0.00 72.50 69.93 3ds1 s THR 210 CO 0.51 -0.52 1.79 0.25 -0.54 0.00 0.00 174.62 176.11 3ds1 h LEU 211 N 0.14 0.39 -0.66 4.79 5.85 -1.99 -1.00 115.31 122.84 3ds1 h LEU 211 Ca -0.46 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3ds1 h LEU 211 Cb 1.24 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 3ds1 h LEU 211 CO 0.60 0.27 0.25 -0.08 -0.34 0.00 0.00 178.44 179.14 3ds1 h GLU 212 N 0.52 0.41 -0.62 1.25 4.81 -1.99 0.67 114.58 119.63 3ds1 h GLU 212 Ca 0.22 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3ds1 h GLU 212 Cb 0.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3ds1 h GLU 212 CO -0.15 0.27 0.07 0.93 -0.73 0.00 0.00 179.01 179.40 3ds1 h GLU 213 N 0.42 1.03 -0.47 1.92 5.08 -1.79 -1.07 114.58 119.70 3ds1 h GLU 213 Ca 0.34 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3ds1 h GLU 213 Cb 0.45 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3ds1 h GLU 213 CO -0.34 0.97 0.18 0.52 -1.00 0.00 0.00 179.01 179.33 3ds1 h MET 214 N 0.96 0.72 -0.04 2.33 2.86 -0.36 -1.35 114.93 120.05 3ds1 h MET 214 Ca 0.19 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3ds1 h MET 214 Cb 0.46 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ds1 h MET 214 CO 0.02 0.66 -0.05 0.52 1.06 0.00 0.00 176.91 179.12 3ds1 h MET 215 N 0.62 -0.06 -0.46 1.72 2.86 -0.67 -1.76 114.93 117.18 3ds1 h MET 215 Ca 0.16 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3ds1 h MET 215 Cb 0.22 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3ds1 h MET 215 CO -0.01 -0.04 0.24 1.15 1.06 0.00 0.00 176.91 179.30 3ds1 h THR 216 N -0.06 0.98 0.00 2.22 2.02 -1.01 -2.05 112.91 115.00 3ds1 h THR 216 Ca 0.03 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3ds1 h THR 216 Cb 0.11 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3ds1 h THR 216 CO -0.08 0.09 -0.30 0.00 0.37 0.00 0.00 175.52 175.60 3ds1 h ALA 217 N 1.24 1.40 -0.02 6.16 0.00 -1.00 -2.84 119.26 124.20 3ds1 h ALA 217 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ds1 h ALA 217 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ds1 h ALA 217 CO -0.13 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.37 3ds1 n GLN 219 N 0.59 2.19 -0.03 0.00 7.27 -0.80 -2.13 117.38 124.47 3ds1 n GLN 219 Ca 0.14 0.79 0.00 0.00 0.07 0.00 0.00 57.00 58.00 3ds1 n GLN 219 Cb 0.49 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.54 3ds1 n GLN 219 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ds1 n GLY 220 N 3.85 1.77 3.65 1.69 0.00 -1.26 -5.01 105.19 109.87 3ds1 n GLY 220 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3ds1 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ds1 s VAL 221 N -2.64 3.74 0.00 1.61 1.01 -0.90 -1.33 120.40 121.89 3ds1 s VAL 221 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3ds1 s VAL 221 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ds1 s VAL 221 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 3ds1 n GLY 222 N 4.29 1.70 0.00 4.51 0.00 -1.26 -4.67 105.19 109.76 3ds1 n GLY 222 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ds1 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ds1 n GLY 223 N -2.00 1.88 0.04 -0.02 0.00 -0.44 -4.73 105.19 99.91 3ds1 n GLY 223 Ca 0.00 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.25 3ds1 n GLY 223 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ds1 n PRO 224 N 0.00 0.08 -1.36 1.61 -0.02 -1.26 -5.00 135.00 129.04 3ds1 n PRO 224 Ca 0.00 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.64 3ds1 n PRO 224 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3ds1 n PRO 224 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ds1 n GLY 225 N 0.53 0.75 3.85 -1.23 0.00 -1.26 -4.97 105.19 102.85 3ds1 n GLY 225 Ca 0.04 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3ds1 n GLY 225 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ds1 s HIS 226 N -2.26 3.41 0.20 1.61 5.04 -1.26 -5.02 115.29 117.01 3ds1 s HIS 226 Ca 0.00 1.18 -0.31 0.00 -1.54 0.00 0.00 55.06 54.38 3ds1 s HIS 226 Cb 0.00 -2.50 -0.11 0.00 0.04 0.00 0.00 32.58 30.01 3ds1 s HIS 226 CO 0.00 0.15 1.62 0.21 -2.34 0.00 0.00 174.74 174.38 3ds1 s LYS 227 N -2.84 4.17 0.00 2.88 2.20 -1.26 -5.23 119.74 119.67 3ds1 s LYS 227 Ca 0.52 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.60 3ds1 s LYS 227 Cb -0.11 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3ds1 s LYS 227 CO 0.18 -0.66 0.48 0.00 -0.36 0.00 0.00 175.35 174.99