#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h16 s PRO 164 N 0.00 3.97 0.02 0.00 0.04 -1.26 -4.96 135.00 132.81 3h16 s PRO 164 Ca 0.00 1.83 0.17 0.00 0.04 0.00 0.00 61.00 63.04 3h16 s PRO 164 Cb 0.00 -2.60 0.72 0.00 0.04 0.00 0.00 34.50 32.66 3h16 s PRO 164 CO 0.00 -0.39 1.54 -0.35 0.04 0.00 0.00 177.00 177.84 3h16 n PRO 165 N -0.09 0.02 -4.76 0.56 -0.04 -1.23 -4.75 135.00 124.72 3h16 n PRO 165 Ca 0.05 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 3h16 n PRO 165 Cb 0.47 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.24 3h16 n PRO 165 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3h16 s HIS 166 N -3.03 1.51 0.01 0.54 3.76 -0.88 -4.99 115.29 112.21 3h16 s HIS 166 Ca 0.08 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.45 3h16 s HIS 166 Cb 0.11 -1.00 -0.33 0.00 1.11 0.00 0.00 32.58 32.47 3h16 s HIS 166 CO 0.31 -0.09 1.00 -0.44 -0.85 0.00 0.00 174.74 174.67 3h16 h ASP 167 N 6.03 0.75 -4.41 1.40 3.32 -1.75 -0.13 116.42 121.62 3h16 h ASP 167 Ca -0.34 -0.90 -0.13 0.00 0.02 0.00 0.00 57.03 55.67 3h16 h ASP 167 Cb 1.16 -0.24 -0.23 0.00 0.22 0.00 0.00 39.33 40.25 3h16 h ASP 167 CO 0.48 1.59 -0.32 -0.63 -1.72 0.00 0.00 179.24 178.64 3h16 s ILE 168 N -2.67 0.03 0.02 0.35 1.01 -1.07 -1.29 121.20 117.57 3h16 s ILE 168 Ca -0.10 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3h16 s ILE 168 Cb 0.04 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3h16 s ILE 168 CO 0.91 -0.14 -0.23 0.72 0.00 0.00 0.00 174.94 176.21 3h16 s PHE 169 N -0.58 2.00 -0.39 3.97 -0.12 -1.17 -2.26 117.98 119.43 3h16 s PHE 169 Ca -0.07 -0.38 -0.06 0.00 -0.05 0.00 0.00 56.93 56.37 3h16 s PHE 169 Cb -0.04 -1.24 0.08 0.00 -0.63 0.00 0.00 43.02 41.20 3h16 s PHE 169 CO 0.02 0.05 0.19 0.42 -0.05 0.00 0.00 175.22 175.85 3h16 s ILE 170 N -0.68 3.69 -0.05 -4.49 1.01 -1.08 -1.57 121.20 118.02 3h16 s ILE 170 Ca 0.09 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 3h16 s ILE 170 Cb -0.09 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 3h16 s ILE 170 CO 0.01 -0.48 0.99 -0.55 0.00 0.00 0.00 174.94 174.91 3h16 s SER 171 N 1.84 7.30 0.11 3.58 0.15 0.92 -4.74 113.70 122.86 3h16 s SER 171 Ca 0.03 1.59 -0.23 0.00 0.70 0.00 0.00 55.95 58.03 3h16 s SER 171 Cb -0.22 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 3h16 s SER 171 CO -0.00 -0.35 0.58 -1.38 1.20 0.00 0.00 173.24 173.28 3h16 s HIS 172 N 1.51 -0.51 0.63 3.44 -0.00 -1.04 -1.17 115.29 118.15 3h16 s HIS 172 Ca 0.50 0.43 -0.16 0.00 -0.00 0.00 0.00 55.06 55.83 3h16 s HIS 172 Cb -0.20 0.47 -0.02 0.00 -0.00 0.00 0.00 32.58 32.84 3h16 s HIS 172 CO 0.23 -0.76 1.10 0.00 -0.00 0.00 0.00 174.74 175.30 3h16 s ALA 173 N -3.15 2.57 0.42 -1.38 0.00 -1.26 0.61 121.76 119.56 3h16 s ALA 173 Ca -0.02 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.57 3h16 s ALA 173 Cb -0.00 -3.30 0.90 0.00 0.00 0.00 0.00 23.12 20.71 3h16 s ALA 173 CO -0.08 -1.09 2.04 0.11 0.00 0.00 0.00 175.76 176.74 3h16 h TRP 174 N 0.28 0.40 0.00 0.00 5.08 -1.24 -2.32 115.95 118.15 3h16 h TRP 174 Ca -0.47 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 3h16 h TRP 174 Cb 1.24 -0.13 -0.00 0.00 -3.00 0.00 0.00 29.16 27.27 3h16 h TRP 174 CO 0.55 0.29 -0.04 0.93 -1.28 0.00 0.00 178.44 178.89 3h16 h GLU 175 N 0.42 0.00 -0.01 0.12 3.07 -1.91 -2.00 114.58 114.27 3h16 h GLU 175 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3h16 h GLU 175 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3h16 h GLU 175 CO -0.02 0.04 -0.15 -0.25 -1.40 0.00 0.00 179.01 177.23 3h16 n ASP 176 N -3.49 1.35 -0.07 1.42 8.00 -0.87 -4.38 116.55 118.51 3h16 n ASP 176 Ca -0.02 -1.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.16 3h16 n ASP 176 Cb 0.15 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3h16 n ASP 176 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3h16 h LYS 177 N 1.88 0.35 -0.18 -1.24 3.64 -1.44 -2.41 116.57 117.17 3h16 h LYS 177 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3h16 h LYS 177 Cb 0.54 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3h16 h LYS 177 CO 0.00 0.46 -0.03 0.00 -2.27 0.00 0.00 179.45 177.61 3h16 h ALA 178 N 0.88 0.25 -0.50 5.00 0.00 -1.77 -2.05 119.26 121.06 3h16 h ALA 178 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h16 h ALA 178 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h16 h ALA 178 CO -0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 3h16 n ASP 179 N -4.67 5.12 0.22 0.00 5.68 -1.25 -4.68 116.55 116.97 3h16 n ASP 179 Ca -0.05 -2.89 0.00 0.00 -0.50 0.00 0.00 54.79 51.35 3h16 n ASP 179 Cb 0.26 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 3h16 n ASP 179 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3h16 n PHE 180 N 0.37 -4.53 -0.04 2.11 7.35 -1.15 -4.93 117.46 116.66 3h16 n PHE 180 Ca 0.26 1.50 -0.08 0.00 -0.76 0.00 0.00 57.45 58.36 3h16 n PHE 180 Cb 1.08 3.71 -0.03 0.00 0.35 0.00 0.00 39.48 44.58 3h16 n PHE 180 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3h16 h VAL 181 N 0.00 0.80 -0.88 -2.13 2.07 -1.53 0.40 116.25 114.98 3h16 h VAL 181 Ca 0.00 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3h16 h VAL 181 Cb 0.00 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 3h16 h VAL 181 CO 0.00 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.76 3h16 h GLU 182 N 0.00 0.75 -0.22 1.57 5.08 -1.61 0.75 114.58 120.89 3h16 h GLU 182 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3h16 h GLU 182 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3h16 h GLU 182 CO -0.20 0.49 -0.08 0.00 -1.00 0.00 0.00 179.01 178.22 3h16 h ALA 183 N 1.52 0.31 -0.71 3.43 0.00 -1.49 -2.11 119.26 120.21 3h16 h ALA 183 Ca 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h16 h ALA 183 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3h16 h ALA 183 CO -0.30 0.13 0.41 1.25 0.00 0.00 0.00 179.25 180.73 3h16 h LEU 184 N 0.17 0.88 -0.50 0.00 5.85 0.57 -1.63 115.31 120.64 3h16 h LEU 184 Ca 0.05 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3h16 h LEU 184 Cb 0.56 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3h16 h LEU 184 CO 0.03 0.71 0.20 0.00 -0.34 0.00 0.00 178.44 179.04 3h16 h ALA 185 N 1.21 0.65 -0.66 1.25 0.00 -0.85 -1.11 119.26 119.74 3h16 h ALA 185 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3h16 h ALA 185 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h16 h ALA 185 CO -0.04 0.25 0.11 0.45 0.00 0.00 0.00 179.25 180.01 3h16 h HIS 186 N 0.66 1.16 -0.53 0.00 3.86 -1.16 0.67 115.15 119.82 3h16 h HIS 186 Ca 0.17 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3h16 h HIS 186 Cb 0.19 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3h16 h HIS 186 CO 0.00 0.98 0.03 1.15 0.86 0.00 0.00 177.93 180.95 3h16 h THR 187 N 1.01 1.25 -0.08 2.45 2.02 -1.12 -2.17 112.91 116.27 3h16 h THR 187 Ca 0.20 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3h16 h THR 187 Cb 0.44 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3h16 h THR 187 CO 0.01 0.36 -0.02 -0.07 0.37 0.00 0.00 175.52 176.17 3h16 h LEU 188 N 0.82 0.15 -1.49 2.58 3.38 -0.75 -2.70 115.31 117.30 3h16 h LEU 188 Ca 0.16 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3h16 h LEU 188 Cb 0.45 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3h16 h LEU 188 CO 0.02 0.50 0.38 0.03 0.09 0.00 0.00 178.44 179.46 3h16 h ARG 189 N -0.20 0.64 0.00 1.13 3.08 -0.80 -0.50 114.38 117.74 3h16 h ARG 189 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h16 h ARG 189 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3h16 h ARG 189 CO 0.01 0.43 -0.09 0.00 -1.07 0.00 0.00 179.97 179.24 3h16 h ALA 190 N 1.67 0.97 -0.00 0.04 0.00 -1.34 -2.60 119.26 118.01 3h16 h ALA 190 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h16 h ALA 190 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h16 h ALA 190 CO -0.06 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.11 3h16 n ALA 191 N -2.13 2.84 0.00 0.00 0.00 -0.26 -4.92 120.51 116.03 3h16 n ALA 191 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3h16 n ALA 191 Cb 0.44 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3h16 n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h16 n GLY 192 N 1.46 1.00 3.81 0.00 0.00 -0.95 -5.09 105.19 105.42 3h16 n GLY 192 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3h16 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h16 s ALA 193 N -2.00 3.33 -0.17 4.61 0.00 -0.81 -4.98 121.76 121.73 3h16 s ALA 193 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3h16 s ALA 193 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3h16 s ALA 193 CO 0.00 0.28 0.54 -2.00 0.00 0.00 0.00 175.76 174.57 3h16 s GLU 194 N -2.16 4.24 -0.00 0.00 -6.30 -1.26 -3.88 118.70 109.34 3h16 s GLU 194 Ca 0.47 0.48 0.01 0.00 -2.50 0.00 0.00 54.97 53.43 3h16 s GLU 194 Cb -0.16 -3.53 -0.00 0.00 0.00 0.00 0.00 34.13 30.44 3h16 s GLU 194 CO 0.21 -0.08 -0.03 0.08 0.02 0.00 0.00 175.26 175.46 3h16 s VAL 195 N 1.41 0.24 0.04 3.70 1.01 -1.26 -2.28 120.40 123.26 3h16 s VAL 195 Ca 0.26 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3h16 s VAL 195 Cb -0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3h16 s VAL 195 CO 0.10 0.07 -0.11 -1.66 0.00 0.00 0.00 175.10 173.51 3h16 s TRP 196 N -0.03 0.95 0.00 5.22 1.48 -0.96 -5.02 118.94 120.59 3h16 s TRP 196 Ca 0.01 -0.37 0.00 0.00 -1.06 0.00 0.00 56.10 54.68 3h16 s TRP 196 Cb -0.02 -0.57 0.00 0.00 -1.16 0.00 0.00 33.47 31.73 3h16 s TRP 196 CO -0.00 -0.00 0.00 2.48 -4.06 0.00 0.00 176.95 175.37 3h16 n TYR 197 N 1.86 0.00 -0.28 1.66 4.11 -1.26 -2.64 117.16 120.61 3h16 n TYR 197 Ca -0.19 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 57.78 3h16 n TYR 197 Cb 0.55 0.00 0.22 0.00 -0.00 0.00 0.00 39.34 40.11 3h16 n TYR 197 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3h16 h ASP 198 N 0.00 0.40 -0.28 9.48 3.58 -1.95 0.17 116.42 127.82 3h16 h ASP 198 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3h16 h ASP 198 Cb 0.00 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3h16 h ASP 198 CO 0.00 0.15 0.00 0.47 -2.88 0.00 0.00 179.24 176.98 3h16 n ASP 199 N -4.95 2.40 -0.56 2.28 8.00 -1.26 -4.05 116.55 118.42 3h16 n ASP 199 Ca 0.16 -2.21 0.09 0.00 0.71 0.00 0.00 54.79 53.54 3h16 n ASP 199 Cb 0.45 -0.41 0.21 0.00 -0.02 0.00 0.00 41.12 41.35 3h16 n ASP 199 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h16 n PHE 200 N 0.34 0.56 -2.76 1.24 3.72 0.58 -4.96 117.46 116.18 3h16 n PHE 200 Ca 0.11 -0.92 -0.42 0.00 -0.05 0.00 0.00 57.45 56.16 3h16 n PHE 200 Cb 0.48 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3h16 n PHE 200 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3h16 s SER 201 N -2.31 7.00 -0.13 4.37 0.01 -1.25 -2.51 113.70 118.88 3h16 s SER 201 Ca 0.38 1.24 -0.19 0.00 1.31 0.00 0.00 55.95 58.69 3h16 s SER 201 Cb 0.31 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 3h16 s SER 201 CO 0.06 -0.59 0.54 -0.76 0.41 0.00 0.00 173.24 172.90 3h16 s LEU 202 N 2.98 4.26 0.32 2.44 1.43 0.20 -4.73 118.68 125.58 3h16 s LEU 202 Ca 0.40 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.47 3h16 s LEU 202 Cb -0.15 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.22 3h16 s LEU 202 CO 0.07 -0.07 -0.11 -0.13 0.23 0.00 0.00 176.35 176.35 3h16 s ARG 203 N 0.90 1.73 0.19 1.70 0.52 -1.26 -0.78 118.95 121.95 3h16 s ARG 203 Ca 0.28 -1.87 -0.33 0.00 -0.52 0.00 0.00 55.73 53.29 3h16 s ARG 203 Cb -0.16 -1.59 -0.13 0.00 0.52 0.00 0.00 34.95 33.59 3h16 s ARG 203 CO 0.12 0.15 1.61 -2.30 0.02 0.00 0.00 175.30 174.90 3h16 n PRO 204 N -0.71 2.39 0.00 3.54 -0.02 -1.26 -2.00 135.00 136.94 3h16 n PRO 204 Ca -0.05 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3h16 n PRO 204 Cb 0.63 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3h16 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h16 n GLY 205 N 3.38 1.88 3.72 -1.23 0.00 -1.26 -5.08 105.19 106.59 3h16 n GLY 205 Ca 0.15 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3h16 n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h16 s ASP 206 N -0.18 3.95 -0.24 1.61 1.01 -0.85 -4.99 116.67 116.98 3h16 s ASP 206 Ca 0.00 2.26 -0.15 0.00 0.71 0.00 0.00 52.55 55.37 3h16 s ASP 206 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3h16 s ASP 206 CO 0.00 -2.42 0.36 -0.55 0.21 0.00 0.00 175.17 172.77 3h16 s SER 207 N -2.32 6.31 0.01 0.27 0.15 -1.26 -4.98 113.70 111.88 3h16 s SER 207 Ca 0.71 0.35 -0.23 0.00 0.70 0.00 0.00 55.95 57.48 3h16 s SER 207 Cb -0.26 -2.21 -0.17 0.00 -1.71 0.00 0.00 66.02 61.67 3h16 s SER 207 CO 0.49 -0.12 1.31 0.25 1.20 0.00 0.00 173.24 176.37 3h16 h LEU 208 N 8.17 0.19 -0.78 3.45 5.85 -1.99 -2.88 115.31 127.32 3h16 h LEU 208 Ca -0.34 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 57.87 3h16 h LEU 208 Cb 1.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3h16 h LEU 208 CO 0.67 0.63 0.33 -0.09 -0.34 0.00 0.00 178.44 179.63 3h16 h ARG 209 N -0.25 1.16 -0.49 1.25 9.65 -1.95 -1.64 114.38 122.11 3h16 h ARG 209 Ca 0.01 -0.20 -0.03 0.00 -1.10 0.00 0.00 59.98 58.66 3h16 h ARG 209 Cb 0.57 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 3h16 h ARG 209 CO 0.02 0.93 0.19 -0.09 2.80 0.00 0.00 179.97 183.82 3h16 h ARG 210 N 1.13 0.70 -0.12 0.20 2.43 -1.99 -0.46 114.38 116.27 3h16 h ARG 210 Ca 0.26 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3h16 h ARG 210 Cb 0.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3h16 h ARG 210 CO -0.02 0.58 -0.40 1.03 -1.51 0.00 0.00 179.97 179.65 3h16 h SER 211 N 0.69 0.56 -0.83 -3.80 0.87 -1.24 -2.53 113.55 107.27 3h16 h SER 211 Ca 0.17 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 3h16 h SER 211 Cb 0.15 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3h16 h SER 211 CO -0.02 1.07 0.41 0.40 -0.53 0.00 0.00 176.83 178.16 3h16 h ILE 212 N 0.08 1.25 -0.64 2.23 1.08 -1.04 -1.94 117.51 118.53 3h16 h ILE 212 Ca -0.01 -0.70 -0.06 0.00 -0.39 0.00 0.00 64.86 63.69 3h16 h ILE 212 Cb 1.02 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3h16 h ILE 212 CO 0.08 0.30 0.17 0.44 -0.69 0.00 0.00 178.15 178.46 3h16 h ASP 213 N 1.19 0.96 0.28 1.72 3.32 -1.07 -0.86 116.42 121.96 3h16 h ASP 213 Ca 0.29 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3h16 h ASP 213 Cb 0.10 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3h16 h ASP 213 CO -0.04 0.94 -0.26 0.50 -1.72 0.00 0.00 179.24 178.66 3h16 h LYS 214 N 0.94 0.00 0.11 3.56 3.64 -1.13 -0.77 116.57 122.93 3h16 h LYS 214 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3h16 h LYS 214 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3h16 h LYS 214 CO -0.00 0.26 -0.05 0.78 -2.27 0.00 0.00 179.45 178.17 3h16 h GLY 215 N 0.83 -0.16 2.00 5.01 0.00 -0.57 -3.20 103.07 106.98 3h16 h GLY 215 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3h16 h GLY 215 CO 0.03 -0.06 0.00 1.41 0.00 0.00 0.00 176.54 177.93 3h16 h LEU 216 N -0.79 0.00 -2.63 3.11 3.38 -1.17 -1.88 115.31 115.34 3h16 h LEU 216 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h16 h LEU 216 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3h16 h LEU 216 CO 0.03 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.77 3h16 h GLY 217 N 2.09 0.00 -2.11 0.83 0.00 -1.13 -3.27 103.07 99.49 3h16 h GLY 217 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3h16 h GLY 217 CO 0.00 0.00 -0.48 -1.14 0.00 0.00 0.00 176.54 174.92 3h16 n SER 218 N -3.43 -0.27 -4.09 0.19 3.41 -1.06 -5.04 113.62 103.32 3h16 n SER 218 Ca -0.03 -1.89 -0.15 0.00 -0.26 0.00 0.00 58.87 56.55 3h16 n SER 218 Cb 0.10 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 3h16 n SER 218 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3h16 s SER 219 N -1.17 1.07 0.11 4.04 0.01 -0.73 -2.07 113.70 114.95 3h16 s SER 219 Ca 0.09 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.73 3h16 s SER 219 Cb 0.11 0.00 -0.16 0.00 0.21 0.00 0.00 66.02 66.19 3h16 s SER 219 CO -0.05 -0.15 1.25 0.03 0.41 0.00 0.00 173.24 174.73 3h16 h ARG 220 N 4.54 0.53 -4.82 12.44 3.08 -0.91 -3.42 114.38 125.82 3h16 h ARG 220 Ca -0.37 -0.58 -0.40 0.00 0.07 0.00 0.00 59.98 58.71 3h16 h ARG 220 Cb 1.20 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 31.28 3h16 h ARG 220 CO 0.41 1.20 -0.55 -0.06 -1.07 0.00 0.00 179.97 179.91 3h16 s PHE 221 N -3.27 1.55 -0.05 3.04 0.40 -0.41 -4.90 117.98 114.35 3h16 s PHE 221 Ca -0.07 -1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 54.67 3h16 s PHE 221 Cb 0.08 -0.74 0.02 0.00 0.51 0.00 0.00 43.02 42.89 3h16 s PHE 221 CO 0.89 -0.68 0.25 0.20 0.70 0.00 0.00 175.22 176.59 3h16 s GLY 222 N -3.33 -0.13 -0.07 4.36 0.00 0.30 -3.03 107.32 105.43 3h16 s GLY 222 Ca 0.38 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.56 3h16 s GLY 222 CO 0.20 0.26 -0.23 -0.42 0.00 0.00 0.00 173.10 172.90 3h16 s ILE 223 N -0.70 1.96 -0.17 0.90 1.01 -0.61 0.52 121.20 124.11 3h16 s ILE 223 Ca -0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 3h16 s ILE 223 Cb -0.04 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3h16 s ILE 223 CO 0.02 0.54 -0.14 -0.69 0.00 0.00 0.00 174.94 174.67 3h16 s VAL 224 N 0.09 2.68 -0.69 2.92 1.01 -0.77 -0.05 120.40 125.60 3h16 s VAL 224 Ca -0.10 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 3h16 s VAL 224 Cb -0.15 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3h16 s VAL 224 CO 0.06 0.50 1.16 -0.69 0.00 0.00 0.00 175.10 176.13 3h16 s VAL 225 N 1.07 3.96 -1.00 2.92 1.01 -0.31 -1.50 120.40 126.54 3h16 s VAL 225 Ca -0.00 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3h16 s VAL 225 Cb -0.15 -4.81 0.11 0.00 0.00 0.00 0.00 36.38 31.53 3h16 s VAL 225 CO -0.04 -1.65 1.29 -0.76 0.00 0.00 0.00 175.10 173.94 3h16 s LEU 226 N 5.08 4.52 0.00 3.92 1.43 0.53 -4.67 118.68 129.49 3h16 s LEU 226 Ca 0.32 -1.98 0.03 0.00 -1.03 0.00 0.00 54.13 51.47 3h16 s LEU 226 Cb -0.11 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.68 3h16 s LEU 226 CO 0.15 -1.17 0.23 -1.54 0.23 0.00 0.00 176.35 174.24 3h16 n SER 227 N 7.27 2.86 -0.02 2.29 3.41 -1.26 -1.04 113.62 127.13 3h16 n SER 227 Ca 0.29 -2.84 -0.08 0.00 -0.26 0.00 0.00 58.87 55.98 3h16 n SER 227 Cb 0.49 0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 3h16 n SER 227 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3h16 h THR 228 N 0.88 1.30 -0.36 6.66 2.02 -1.79 -2.72 112.91 118.89 3h16 h THR 228 Ca -0.34 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.20 3h16 h THR 228 Cb 1.16 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 3h16 h THR 228 CO 0.55 0.50 -0.01 0.45 0.37 0.00 0.00 175.52 177.38 3h16 h HIS 229 N 0.51 0.60 -0.02 3.16 3.86 -1.96 -0.78 115.15 120.52 3h16 h HIS 229 Ca 0.04 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3h16 h HIS 229 Cb 0.93 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 3h16 h HIS 229 CO 0.04 0.59 0.01 0.35 0.86 0.00 0.00 177.93 179.77 3h16 h PHE 230 N 0.54 0.03 -0.57 2.45 3.04 -1.78 -3.00 116.94 117.66 3h16 h PHE 230 Ca 0.11 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 3h16 h PHE 230 Cb 0.37 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 3h16 h PHE 230 CO 0.01 0.17 0.15 0.74 -2.02 0.00 0.00 178.31 177.37 3h16 h PHE 231 N -0.12 0.89 0.00 0.41 0.04 -1.23 -2.65 116.94 114.28 3h16 h PHE 231 Ca 0.01 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3h16 h PHE 231 Cb 0.16 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.04 3h16 h PHE 231 CO -0.02 0.73 0.00 1.63 -0.60 0.00 0.00 178.31 180.05 3h16 n LYS 232 N -4.28 0.04 0.03 1.51 5.02 -0.32 -1.36 118.16 118.80 3h16 n LYS 232 Ca 0.04 0.32 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 3h16 n LYS 232 Cb 0.22 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.18 3h16 n LYS 232 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h16 n LYS 233 N -1.42 0.05 -3.49 1.97 4.76 -1.00 -4.95 118.16 114.09 3h16 n LYS 233 Ca 0.02 0.19 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 3h16 n LYS 233 Cb 0.07 -1.58 0.03 0.00 -1.84 0.00 0.00 35.03 31.71 3h16 n LYS 233 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h16 n GLU 234 N -1.68 -1.45 -1.67 1.97 1.02 -0.46 -4.92 120.64 113.45 3h16 n GLU 234 Ca 0.05 0.80 -0.29 0.00 -0.02 0.00 0.00 57.16 57.69 3h16 n GLU 234 Cb 0.26 -4.51 0.10 0.00 -0.02 0.00 0.00 31.44 27.27 3h16 n GLU 234 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3h16 s TRP 235 N -3.28 2.82 0.07 -0.32 0.52 -1.26 -4.99 118.94 112.50 3h16 s TRP 235 Ca 0.30 0.94 -0.31 0.00 0.02 0.00 0.00 56.10 57.06 3h16 s TRP 235 Cb -0.09 -3.29 -0.06 0.00 -1.15 0.00 0.00 33.47 28.88 3h16 s TRP 235 CO 0.82 -1.90 1.27 -2.14 0.02 0.00 0.00 176.95 175.03 3h16 s PRO 236 N -5.32 4.38 0.62 4.98 0.02 -1.26 -4.89 135.00 133.53 3h16 s PRO 236 Ca 0.62 1.88 0.37 0.00 0.02 0.00 0.00 61.00 63.88 3h16 s PRO 236 Cb -0.13 -3.33 2.09 0.00 0.02 0.00 0.00 34.50 33.14 3h16 s PRO 236 CO 0.52 -0.34 2.30 0.37 -0.33 0.00 0.00 177.00 179.53 3h16 h GLN 237 N 6.88 0.00 -0.08 5.54 5.75 -1.98 -1.27 115.11 129.95 3h16 h GLN 237 Ca -0.41 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.04 3h16 h GLN 237 Cb 1.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 3h16 h GLN 237 CO 0.84 0.00 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.68 3h16 h LYS 238 N 0.00 0.22 -0.22 1.69 3.64 -1.98 0.22 116.57 120.14 3h16 h LYS 238 Ca -0.00 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3h16 h LYS 238 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3h16 h LYS 238 CO 0.00 0.70 0.09 0.93 -2.27 0.00 0.00 179.45 178.90 3h16 h GLU 239 N -0.24 0.32 -0.10 1.90 5.08 -1.76 -1.24 114.58 118.53 3h16 h GLU 239 Ca 0.01 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3h16 h GLU 239 Cb 0.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3h16 h GLU 239 CO 0.03 0.37 -0.08 1.25 -1.00 0.00 0.00 179.01 179.58 3h16 h LEU 240 N 0.20 -0.26 -2.12 1.33 5.85 -1.28 -0.21 115.31 118.83 3h16 h LEU 240 Ca 0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3h16 h LEU 240 Cb 0.17 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3h16 h LEU 240 CO -0.01 -0.11 -0.07 0.44 -0.34 0.00 0.00 178.44 178.35 3h16 h ASP 241 N -0.10 0.00 -0.05 1.25 3.32 -0.84 -2.89 116.42 117.11 3h16 h ASP 241 Ca 0.07 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3h16 h ASP 241 Cb 0.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3h16 h ASP 241 CO -0.16 0.07 -0.54 1.23 -1.72 0.00 0.00 179.24 178.12 3h16 h GLY 242 N 0.41 0.51 -1.82 2.75 0.00 0.15 -3.33 103.07 101.74 3h16 h GLY 242 Ca -0.00 -0.79 0.55 0.00 0.00 0.00 0.00 47.33 47.09 3h16 h GLY 242 CO 0.01 0.70 1.28 1.04 0.00 0.00 0.00 176.54 179.57 3h16 n LEU 243 N -4.24 0.06 -1.14 3.11 4.77 -0.36 -1.23 117.00 117.97 3h16 n LEU 243 Ca -0.09 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.07 3h16 n LEU 243 Cb 0.63 -0.55 0.29 0.00 -2.33 0.00 0.00 43.42 41.46 3h16 n LEU 243 CO 0.46 -1.14 0.74 0.49 -1.33 0.00 0.00 177.39 176.62 3h16 n PHE 244 N -4.14 1.16 -2.34 -1.77 3.01 -1.25 -4.70 117.46 107.43 3h16 n PHE 244 Ca 0.44 -0.75 -0.41 0.00 1.01 0.00 0.00 57.45 57.73 3h16 n PHE 244 Cb 1.90 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 41.04 3h16 n PHE 244 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3h16 s GLN 245 N -2.39 4.47 0.51 -1.08 2.00 -0.37 -4.01 119.66 118.79 3h16 s GLN 245 Ca 0.43 1.92 -0.18 0.00 -2.00 0.00 0.00 55.36 55.53 3h16 s GLN 245 Cb 0.32 -3.23 -0.07 0.00 0.80 0.00 0.00 33.01 30.83 3h16 s GLN 245 CO 0.14 -0.12 1.01 -1.17 -0.50 0.00 0.00 175.29 174.64 3h16 s LEU 246 N -0.26 3.69 0.35 3.68 2.96 -1.26 -4.90 118.68 122.94 3h16 s LEU 246 Ca 0.53 1.71 -0.27 0.00 -0.22 0.00 0.00 54.13 55.89 3h16 s LEU 246 Cb -0.33 -4.53 -0.09 0.00 0.50 0.00 0.00 46.19 41.74 3h16 s LEU 246 CO 0.37 -0.73 1.11 -1.61 -1.32 0.00 0.00 176.35 174.18 3h16 s GLU 247 N -3.77 4.32 0.00 1.98 0.41 -1.06 -4.88 118.70 115.70 3h16 s GLU 247 Ca 0.62 1.75 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 3h16 s GLU 247 Cb -0.12 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 3h16 s GLU 247 CO 0.28 -0.06 0.68 0.43 -0.49 0.00 0.00 175.26 176.10 3h16 n SER 248 N 0.49 0.00 -0.35 -0.19 7.64 -1.26 0.83 113.62 120.78 3h16 n SER 248 Ca 0.02 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.23 3h16 n SER 248 Cb 0.46 -0.20 0.22 0.00 -1.01 0.00 0.00 64.21 63.68 3h16 n SER 248 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h16 n SER 249 N -1.18 1.45 0.00 6.43 3.41 -1.26 -4.93 113.62 117.55 3h16 n SER 249 Ca 0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3h16 n SER 249 Cb 0.02 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3h16 n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h16 n GLY 250 N 1.37 2.61 3.76 5.00 0.00 0.24 -5.01 105.19 113.17 3h16 n GLY 250 Ca 0.11 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3h16 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h16 s ARG 251 N 0.00 3.59 -0.23 1.61 3.00 -1.26 -4.68 118.95 120.98 3h16 s ARG 251 Ca 0.00 2.33 -0.08 0.00 0.00 0.00 0.00 55.73 57.97 3h16 s ARG 251 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 34.95 32.34 3h16 s ARG 251 CO 0.00 -0.86 0.10 -1.12 0.00 0.00 0.00 175.30 173.42 3h16 s SER 252 N -0.66 5.61 -0.21 0.23 0.01 -1.26 -2.56 113.70 114.86 3h16 s SER 252 Ca 0.63 -0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.98 3h16 s SER 252 Cb -0.42 -2.00 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 3h16 s SER 252 CO 0.53 0.05 0.02 0.54 0.41 0.00 0.00 173.24 174.79 3h16 n ARG 253 N 4.38 0.68 -3.76 12.44 1.74 -1.26 -4.86 116.66 126.01 3h16 n ARG 253 Ca -0.16 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.62 3h16 n ARG 253 Cb 0.52 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 3h16 n ARG 253 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h16 s ILE 254 N -2.51 3.66 -0.27 0.55 1.01 -1.26 -0.54 121.20 121.84 3h16 s ILE 254 Ca -0.18 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 3h16 s ILE 254 Cb 0.07 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3h16 s ILE 254 CO 0.75 -0.25 0.27 -0.76 0.00 0.00 0.00 174.94 174.95 3h16 s LEU 255 N 1.36 4.03 0.21 2.97 1.43 0.18 -4.87 118.68 123.99 3h16 s LEU 255 Ca -0.01 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3h16 s LEU 255 Cb -0.20 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 3h16 s LEU 255 CO 0.01 -0.11 0.66 -2.16 0.23 0.00 0.00 176.35 174.99 3h16 s PRO 256 N 1.87 4.11 -0.18 1.29 0.04 -1.26 -1.84 135.00 139.03 3h16 s PRO 256 Ca 0.11 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.84 3h16 s PRO 256 Cb -0.16 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.60 3h16 s PRO 256 CO 0.10 0.38 -0.08 0.42 0.04 0.00 0.00 177.00 177.86 3h16 s ILE 257 N -1.58 1.39 0.24 0.56 1.01 -0.56 -0.77 121.20 121.48 3h16 s ILE 257 Ca 0.43 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 3h16 s ILE 257 Cb -0.15 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 3h16 s ILE 257 CO 0.20 0.18 1.02 0.26 0.00 0.00 0.00 174.94 176.60 3h16 s TRP 258 N 1.51 3.78 -0.12 3.97 0.52 -0.42 -0.35 118.94 127.83 3h16 s TRP 258 Ca 0.00 1.79 -0.04 0.00 0.02 0.00 0.00 56.10 57.88 3h16 s TRP 258 Cb -0.15 -3.14 0.05 0.00 -1.15 0.00 0.00 33.47 29.08 3h16 s TRP 258 CO -0.08 -0.07 0.10 -1.58 0.02 0.00 0.00 176.95 175.34 3h16 s HIS 259 N -0.99 0.07 -1.36 -1.98 2.46 -0.21 -2.07 115.29 111.21 3h16 s HIS 259 Ca 0.44 0.02 -0.05 0.00 0.47 0.00 0.00 55.06 55.93 3h16 s HIS 259 Cb -0.29 -0.55 0.00 0.00 -0.13 0.00 0.00 32.58 31.62 3h16 s HIS 259 CO 0.36 -0.38 0.48 1.63 -2.47 0.00 0.00 174.74 174.35 3h16 n LYS 260 N 5.29 -2.74 -4.37 2.88 5.02 -1.26 -4.17 118.16 118.81 3h16 n LYS 260 Ca -0.05 0.39 -0.20 0.00 -2.02 0.00 0.00 58.31 56.42 3h16 n LYS 260 Cb 0.49 -4.34 -0.10 0.00 -0.02 0.00 0.00 35.03 31.06 3h16 n LYS 260 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h16 s VAL 261 N -3.88 1.93 -0.11 -0.18 -7.23 -1.26 -4.51 120.40 105.16 3h16 s VAL 261 Ca 0.10 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 3h16 s VAL 261 Cb -0.04 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3h16 s VAL 261 CO 0.89 -0.51 0.06 -0.55 -0.31 0.00 0.00 175.10 174.69 3h16 s SER 262 N -3.27 5.74 0.07 4.85 0.15 -1.26 -5.02 113.70 114.96 3h16 s SER 262 Ca 0.23 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.91 3h16 s SER 262 Cb -0.02 -1.78 -0.16 0.00 -1.71 0.00 0.00 66.02 62.35 3h16 s SER 262 CO 0.09 0.36 1.64 0.50 1.20 0.00 0.00 173.24 177.03 3h16 h LYS 263 N 5.30 -0.02 -0.45 5.44 3.64 -2.00 -2.64 116.57 125.84 3h16 h LYS 263 Ca -0.51 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3h16 h LYS 263 Cb 1.20 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3h16 h LYS 263 CO 0.58 0.08 0.18 -0.44 -2.27 0.00 0.00 179.45 177.58 3h16 h ASP 264 N -0.12 0.58 0.68 4.20 3.32 -2.01 -2.80 116.42 120.27 3h16 h ASP 264 Ca -0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3h16 h ASP 264 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3h16 h ASP 264 CO 0.00 0.53 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.81 3h16 h GLU 265 N 0.64 0.00 0.00 3.56 4.81 -1.90 -3.29 114.58 118.40 3h16 h GLU 265 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3h16 h GLU 265 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3h16 h GLU 265 CO -0.02 0.17 -0.08 1.55 -0.73 0.00 0.00 179.01 179.90 3h16 n VAL 266 N -3.46 1.58 0.24 0.32 3.14 -1.02 -4.81 118.33 114.32 3h16 n VAL 266 Ca -0.01 -1.90 0.10 0.00 -2.96 0.00 0.00 64.34 59.57 3h16 n VAL 266 Cb 0.34 -0.11 0.60 0.00 -1.06 0.00 0.00 33.84 33.61 3h16 n VAL 266 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h16 h ALA 267 N 0.00 1.28 0.00 1.55 0.00 -1.59 -1.46 119.26 119.03 3h16 h ALA 267 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h16 h ALA 267 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h16 h ALA 267 CO 0.00 0.23 0.00 0.77 0.00 0.00 0.00 179.25 180.25 3h16 h SER 268 N 0.00 0.00 0.00 0.00 0.02 -1.87 -3.19 113.55 108.51 3h16 h SER 268 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h16 h SER 268 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3h16 h SER 268 CO 0.02 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 3h16 n PHE 269 N -2.61 0.00 -1.68 3.45 3.72 -1.07 -5.04 117.46 114.24 3h16 n PHE 269 Ca 0.02 -0.02 -0.47 0.00 -0.05 0.00 0.00 57.45 56.92 3h16 n PHE 269 Cb 0.30 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 3h16 n PHE 269 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h16 n SER 270 N -0.02 3.56 -4.79 4.37 2.88 -0.57 -4.91 113.62 114.13 3h16 n SER 270 Ca 0.00 0.96 -0.36 0.00 -1.33 0.00 0.00 58.87 58.14 3h16 n SER 270 Cb 0.05 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.07 3h16 n SER 270 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3h16 s PRO 271 N 4.17 4.27 -0.43 -1.46 0.04 -1.26 -5.00 135.00 135.33 3h16 s PRO 271 Ca 0.92 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 3h16 s PRO 271 Cb -0.66 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.39 3h16 s PRO 271 CO 0.50 -0.02 1.43 0.95 0.04 0.00 0.00 177.00 179.90 3h16 s THR 272 N -1.78 3.87 0.27 1.26 -4.23 -1.26 -4.99 115.64 108.78 3h16 s THR 272 Ca 0.57 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.97 3h16 s THR 272 Cb -0.18 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.44 3h16 s THR 272 CO 0.23 -0.80 0.05 1.15 -0.54 0.00 0.00 174.62 174.71 3h16 n MET 273 N 8.17 0.94 -0.27 3.99 0.00 -1.26 -4.67 117.12 124.02 3h16 n MET 273 Ca 0.16 -2.12 -0.21 0.00 0.00 0.00 0.00 57.70 55.53 3h16 n MET 273 Cb 0.48 0.91 0.19 0.00 0.00 0.00 0.00 33.22 34.81 3h16 n MET 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h16 n ALA 274 N -1.92 -3.32 -2.56 3.17 0.00 -1.26 -4.96 120.51 109.66 3h16 n ALA 274 Ca -0.11 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 3h16 n ALA 274 Cb 0.37 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 3h16 n ALA 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h16 s ASP 275 N -2.91 6.30 -1.42 0.00 1.01 -1.26 -4.28 116.67 114.10 3h16 s ASP 275 Ca 0.46 -0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.65 3h16 s ASP 275 Cb -0.07 -2.26 0.04 0.00 1.01 0.00 0.00 42.92 41.64 3h16 s ASP 275 CO 0.38 -0.44 0.79 1.17 0.21 0.00 0.00 175.17 177.28 3h16 n LYS 276 N 5.66 -4.96 -0.00 8.23 3.00 -1.26 -4.88 118.16 123.95 3h16 n LYS 276 Ca -0.05 0.58 0.10 0.00 -0.00 0.00 0.00 58.31 58.94 3h16 n LYS 276 Cb 0.49 -5.24 -0.12 0.00 0.00 0.00 0.00 35.03 30.17 3h16 n LYS 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3h16 n LEU 277 N -4.46 0.83 -4.95 3.14 7.94 -1.26 -5.00 117.00 113.25 3h16 n LEU 277 Ca -0.15 -0.40 -0.25 0.00 -1.11 0.00 0.00 56.01 54.10 3h16 n LEU 277 Cb 0.61 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.53 3h16 n LEU 277 CO 0.73 0.21 -0.02 0.00 -1.11 0.00 0.00 177.39 177.19 3h16 s ALA 278 N -3.08 3.89 0.36 1.96 0.00 -1.26 -4.54 121.76 119.09 3h16 s ALA 278 Ca 0.06 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3h16 s ALA 278 Cb 0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 3h16 s ALA 278 CO 0.87 0.38 0.52 -0.06 0.00 0.00 0.00 175.76 177.46 3h16 s PHE 279 N -1.90 3.11 -0.19 0.00 0.08 0.05 -4.99 117.98 114.14 3h16 s PHE 279 Ca 0.36 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 3h16 s PHE 279 Cb -0.10 -2.09 0.09 0.00 -0.57 0.00 0.00 43.02 40.35 3h16 s PHE 279 CO 0.30 -0.11 0.33 1.21 -0.10 0.00 0.00 175.22 176.85 3h16 s ASN 280 N -4.20 0.28 0.00 1.36 3.84 -1.26 -1.30 114.94 113.66 3h16 s ASN 280 Ca 0.46 0.51 0.10 0.00 0.21 0.00 0.00 52.86 54.14 3h16 s ASN 280 Cb -0.10 0.96 0.52 0.00 -0.55 0.00 0.00 41.25 42.08 3h16 s ASN 280 CO 0.32 -0.26 1.17 0.35 -2.79 0.00 0.00 177.10 175.89 3h16 n THR 281 N 5.36 0.62 0.13 -5.21 -2.24 -0.88 -0.97 114.28 111.08 3h16 n THR 281 Ca -0.06 0.15 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 3h16 n THR 281 Cb 0.50 -0.99 0.02 0.00 -2.10 0.00 0.00 70.33 67.76 3h16 n THR 281 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h16 h SER 282 N 0.00 0.00 0.00 3.42 0.02 -1.95 -3.33 113.55 111.71 3h16 h SER 282 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h16 h SER 282 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3h16 h SER 282 CO 0.00 0.36 -0.50 0.35 -1.14 0.00 0.00 176.83 175.90 3h16 n THR 283 N -3.06 0.00 -3.81 -2.27 -2.24 -0.15 -5.02 114.28 97.74 3h16 n THR 283 Ca -0.00 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3h16 n THR 283 Cb 0.70 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 3h16 n THR 283 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h16 s LYS 284 N -1.97 0.54 0.65 -0.78 1.02 -0.51 -5.03 119.74 113.65 3h16 s LYS 284 Ca 0.03 -0.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.75 3h16 s LYS 284 Cb 0.07 0.23 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 3h16 s LYS 284 CO 0.41 -0.13 0.95 -1.54 -0.92 0.00 0.00 175.35 174.12 3h16 s SER 285 N -1.17 5.13 0.26 2.83 1.04 -1.26 -4.17 113.70 116.36 3h16 s SER 285 Ca -0.12 0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 3h16 s SER 285 Cb -0.06 -1.29 0.45 0.00 0.10 0.00 0.00 66.02 65.22 3h16 s SER 285 CO 0.03 -1.37 1.85 0.58 0.98 0.00 0.00 173.24 175.30 3h16 h VAL 286 N -0.39 0.98 0.23 5.02 2.07 -1.98 -1.84 116.25 120.34 3h16 h VAL 286 Ca -0.45 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3h16 h VAL 286 Cb 1.29 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3h16 h VAL 286 CO 0.60 0.18 -0.11 0.44 0.02 0.00 0.00 177.57 178.70 3h16 h ASP 287 N 1.00 -0.27 -0.45 0.57 3.32 -1.98 0.18 116.42 118.79 3h16 h ASP 287 Ca 0.44 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.58 3h16 h ASP 287 Cb 0.32 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3h16 h ASP 287 CO -0.22 -0.19 0.07 -0.33 -1.72 0.00 0.00 179.24 176.85 3h16 h GLU 288 N -0.31 0.19 -0.64 3.56 5.08 -1.84 0.14 114.58 120.75 3h16 h GLU 288 Ca -0.03 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3h16 h GLU 288 Cb 0.24 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3h16 h GLU 288 CO 0.05 0.13 0.08 0.82 -1.00 0.00 0.00 179.01 179.09 3h16 h ILE 289 N 0.20 1.26 -0.17 3.13 2.04 -1.21 -1.81 117.51 120.96 3h16 h ILE 289 Ca 0.22 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 3h16 h ILE 289 Cb 0.29 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3h16 h ILE 289 CO -0.30 0.39 -0.35 0.58 0.00 0.00 0.00 178.15 178.47 3h16 h VAL 290 N 1.00 1.29 -0.37 1.67 2.07 -0.38 0.18 116.25 121.70 3h16 h VAL 290 Ca 0.19 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 3h16 h VAL 290 Cb 0.45 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3h16 h VAL 290 CO 0.02 0.43 0.09 0.00 0.02 0.00 0.00 177.57 178.13 3h16 h ALA 291 N 1.34 0.49 -0.22 1.67 0.00 -0.38 -0.55 119.26 121.60 3h16 h ALA 291 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3h16 h ALA 291 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h16 h ALA 291 CO 0.06 0.16 0.06 -0.44 0.00 0.00 0.00 179.25 179.08 3h16 h ASP 292 N 0.45 0.34 -0.92 0.00 3.45 -0.91 -1.90 116.42 116.93 3h16 h ASP 292 Ca 0.12 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.39 3h16 h ASP 292 Cb 0.30 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 38.92 3h16 h ASP 292 CO 0.00 0.48 0.60 -0.07 -1.57 0.00 0.00 179.24 178.68 3h16 h LEU 293 N 0.18 0.99 -0.87 1.55 3.38 -0.55 -0.56 115.31 119.44 3h16 h LEU 293 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3h16 h LEU 293 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3h16 h LEU 293 CO 0.00 0.68 0.29 0.24 0.09 0.00 0.00 178.44 179.73 3h16 h MET 294 N 1.15 1.12 -0.77 1.13 2.86 -0.88 0.10 114.93 119.66 3h16 h MET 294 Ca 0.37 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 3h16 h MET 294 Cb 0.02 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3h16 h MET 294 CO -0.13 0.92 0.47 0.00 1.06 0.00 0.00 176.91 179.23 3h16 h ALA 295 N 1.22 1.03 -0.04 6.32 0.00 -0.37 -1.70 119.26 125.71 3h16 h ALA 295 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3h16 h ALA 295 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h16 h ALA 295 CO -0.02 0.23 -0.39 0.82 0.00 0.00 0.00 179.25 179.89 3h16 h ILE 296 N 0.89 1.29 0.00 0.00 2.04 0.15 -2.96 117.51 118.92 3h16 h ILE 296 Ca 0.32 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3h16 h ILE 296 Cb 0.10 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3h16 h ILE 296 CO -0.14 0.41 0.00 0.40 0.00 0.00 0.00 178.15 178.81 3h16 h ILE 297 N 0.07 0.00 -0.02 -0.67 2.04 0.02 -3.51 117.51 115.44 3h16 h ILE 297 Ca 0.01 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3h16 h ILE 297 Cb 0.73 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3h16 h ILE 297 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.74