#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h16 h PRO 165 N 0.00 0.22 -5.94 0.54 0.11 -1.97 -3.43 132.00 121.52 3h16 h PRO 165 Ca 0.00 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.58 3h16 h PRO 165 Cb 0.00 -0.05 -0.20 0.00 0.11 0.00 0.00 31.00 30.86 3h16 h PRO 165 CO 0.00 0.15 -0.80 -1.01 -0.21 0.00 0.00 178.00 176.13 3h16 s HIS 166 N -6.00 1.72 -0.08 0.65 3.76 -1.02 -5.02 115.29 109.30 3h16 s HIS 166 Ca -0.12 -0.46 -0.17 0.00 -0.15 0.00 0.00 55.06 54.16 3h16 s HIS 166 Cb 0.24 -0.91 -0.14 0.00 1.11 0.00 0.00 32.58 32.88 3h16 s HIS 166 CO 0.76 0.24 0.63 -0.44 -0.85 0.00 0.00 174.74 175.08 3h16 h ASP 167 N 3.71 -0.12 -4.09 1.40 3.45 -1.45 -1.08 116.42 118.24 3h16 h ASP 167 Ca -0.44 -0.39 -0.39 0.00 0.43 0.00 0.00 57.03 56.25 3h16 h ASP 167 Cb 1.19 0.03 -0.28 0.00 -0.56 0.00 0.00 39.33 39.71 3h16 h ASP 167 CO 0.45 0.51 -0.78 -0.63 -1.57 0.00 0.00 179.24 177.22 3h16 s ILE 168 N -2.71 0.74 0.23 0.35 1.01 -0.66 0.43 121.20 120.59 3h16 s ILE 168 Ca -0.11 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 60.19 3h16 s ILE 168 Cb -0.00 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 3h16 s ILE 168 CO 0.39 0.16 -0.15 0.72 0.00 0.00 0.00 174.94 176.07 3h16 s PHE 169 N -0.31 2.45 -0.30 3.97 -0.71 -0.82 -2.82 117.98 119.45 3h16 s PHE 169 Ca 0.03 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.66 3h16 s PHE 169 Cb -0.04 -1.14 0.08 0.00 -1.21 0.00 0.00 43.02 40.71 3h16 s PHE 169 CO -0.00 0.59 -0.04 0.42 -1.34 0.00 0.00 175.22 174.86 3h16 s ILE 170 N -2.06 2.19 0.02 -4.49 1.01 -1.15 -1.56 121.20 115.16 3h16 s ILE 170 Ca 0.27 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 3h16 s ILE 170 Cb -0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3h16 s ILE 170 CO 0.15 -0.29 1.08 -0.55 0.00 0.00 0.00 174.94 175.32 3h16 s SER 171 N 1.02 7.24 -0.10 3.58 0.15 0.42 -4.68 113.70 121.33 3h16 s SER 171 Ca 0.00 1.80 -0.30 0.00 0.70 0.00 0.00 55.95 58.15 3h16 s SER 171 Cb -0.19 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.65 3h16 s SER 171 CO -0.07 -0.36 0.86 -1.38 1.20 0.00 0.00 173.24 173.49 3h16 s HIS 172 N 1.11 -0.48 0.40 3.44 -0.00 -0.96 -1.65 115.29 117.16 3h16 s HIS 172 Ca 0.55 0.80 -0.25 0.00 -0.00 0.00 0.00 55.06 56.15 3h16 s HIS 172 Cb -0.24 0.44 -0.08 0.00 -0.00 0.00 0.00 32.58 32.69 3h16 s HIS 172 CO 0.28 -0.46 1.23 0.00 -0.00 0.00 0.00 174.74 175.78 3h16 s ALA 173 N -1.28 3.19 0.29 -1.38 0.00 -1.26 0.15 121.76 121.46 3h16 s ALA 173 Ca -0.05 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.03 3h16 s ALA 173 Cb -0.00 -3.43 0.69 0.00 0.00 0.00 0.00 23.12 20.38 3h16 s ALA 173 CO 0.04 -0.67 1.74 0.11 0.00 0.00 0.00 175.76 176.99 3h16 h TRP 174 N 2.64 0.85 -0.26 0.00 5.08 -1.34 -2.05 115.95 120.86 3h16 h TRP 174 Ca -0.49 0.04 0.08 0.00 1.08 0.00 0.00 58.89 59.59 3h16 h TRP 174 Cb 1.24 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 3h16 h TRP 174 CO 0.54 0.11 0.37 0.93 -1.28 0.00 0.00 178.44 179.11 3h16 h GLU 175 N 0.59 0.00 -0.02 0.12 3.07 -1.91 -0.50 114.58 115.94 3h16 h GLU 175 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3h16 h GLU 175 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3h16 h GLU 175 CO -0.43 0.00 -0.14 -0.25 -1.40 0.00 0.00 179.01 176.79 3h16 n ASP 176 N -3.52 1.77 -0.08 1.42 8.00 -0.77 -4.40 116.55 118.97 3h16 n ASP 176 Ca 0.04 -1.45 -0.12 0.00 0.71 0.00 0.00 54.79 53.97 3h16 n ASP 176 Cb 0.50 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 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 2.57 0.47 -0.76 -1.24 3.64 -1.19 -1.80 116.57 118.26 3h16 h LYS 177 Ca 0.00 -0.21 0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3h16 h LYS 177 Cb 0.64 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 3h16 h LYS 177 CO 0.00 0.75 0.38 0.00 -2.27 0.00 0.00 179.45 178.31 3h16 h ALA 178 N 0.71 1.07 -3.00 5.00 0.00 -1.77 -2.89 119.26 118.39 3h16 h ALA 178 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h16 h ALA 178 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h16 h ALA 178 CO 0.03 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3h16 n ASP 179 N -4.86 0.00 0.00 0.00 8.00 -1.24 -4.64 116.55 113.81 3h16 n ASP 179 Ca 0.13 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 3h16 n ASP 179 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.33 3h16 n ASP 179 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3h16 h PHE 180 N 0.00 -1.40 -0.12 1.24 3.57 -1.78 -2.02 116.94 116.43 3h16 h PHE 180 Ca 0.00 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3h16 h PHE 180 Cb 0.00 0.62 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3h16 h PHE 180 CO 0.00 -0.48 -0.31 0.28 -2.23 0.00 0.00 178.31 175.57 3h16 h VAL 181 N -0.52 0.00 -0.72 1.41 2.07 -1.47 0.23 116.25 117.25 3h16 h VAL 181 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3h16 h VAL 181 Cb 0.60 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3h16 h VAL 181 CO -0.36 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.38 3h16 h GLU 182 N -0.29 0.43 0.42 1.57 5.08 -1.49 0.58 114.58 120.87 3h16 h GLU 182 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3h16 h GLU 182 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3h16 h GLU 182 CO -0.27 0.28 -0.20 0.00 -1.00 0.00 0.00 179.01 177.82 3h16 h ALA 183 N 1.65 -0.56 -0.64 3.43 0.00 -0.58 -1.17 119.26 121.39 3h16 h ALA 183 Ca 0.35 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3h16 h ALA 183 Cb 0.74 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 3h16 h ALA 183 CO -0.11 -0.68 0.04 1.25 0.00 0.00 0.00 179.25 179.75 3h16 h LEU 184 N -0.83 -0.21 -0.33 0.00 5.85 0.11 0.34 115.31 120.24 3h16 h LEU 184 Ca -0.06 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3h16 h LEU 184 Cb 0.55 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3h16 h LEU 184 CO 0.09 -0.10 0.11 0.00 -0.34 0.00 0.00 178.44 178.21 3h16 h ALA 185 N 1.57 0.44 -0.47 1.25 0.00 0.13 -0.71 119.26 121.47 3h16 h ALA 185 Ca 0.34 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3h16 h ALA 185 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h16 h ALA 185 CO -0.52 0.07 -0.16 0.45 0.00 0.00 0.00 179.25 179.09 3h16 h HIS 186 N 0.39 1.03 -0.55 0.00 3.86 -0.40 -1.18 115.15 118.29 3h16 h HIS 186 Ca 0.11 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3h16 h HIS 186 Cb 0.24 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3h16 h HIS 186 CO 0.01 1.00 0.27 1.15 0.86 0.00 0.00 177.93 181.21 3h16 h THR 187 N 0.81 1.18 -0.11 2.45 2.02 -0.19 -1.13 112.91 117.93 3h16 h THR 187 Ca 0.12 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 3h16 h THR 187 Cb 0.70 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3h16 h THR 187 CO 0.05 0.21 -0.51 -0.07 0.37 0.00 0.00 175.52 175.58 3h16 h LEU 188 N 0.77 0.33 -0.22 2.58 3.38 -0.62 -3.17 115.31 118.36 3h16 h LEU 188 Ca 0.19 -0.17 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3h16 h LEU 188 Cb 0.08 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3h16 h LEU 188 CO -0.03 0.78 -0.80 0.03 0.09 0.00 0.00 178.44 178.52 3h16 h ARG 189 N 0.24 0.65 0.00 1.13 3.08 -0.47 -2.26 114.38 116.75 3h16 h ARG 189 Ca 0.01 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3h16 h ARG 189 Cb 0.98 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3h16 h ARG 189 CO 0.08 1.17 0.00 0.00 -1.07 0.00 0.00 179.97 180.15 3h16 n ALA 190 N -2.58 1.96 0.15 0.04 0.00 -0.50 -0.14 120.51 119.44 3h16 n ALA 190 Ca -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.34 3h16 n ALA 190 Cb 0.75 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 19.08 3h16 n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h16 n ALA 191 N -0.85 2.42 -0.46 0.00 0.00 -1.06 -5.01 120.51 115.55 3h16 n ALA 191 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3h16 n ALA 191 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.21 0.75 3.90 0.00 0.00 0.80 -5.06 105.19 105.78 3h16 n GLY 192 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 3.71 -0.44 4.61 0.00 -0.88 -5.01 121.76 121.76 3h16 s ALA 193 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 3h16 s ALA 193 Cb 0.00 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.92 3h16 s ALA 193 CO 0.00 0.54 0.63 -2.00 0.00 0.00 0.00 175.76 174.93 3h16 s GLU 194 N -2.91 3.28 0.07 0.00 2.56 -1.26 -4.36 118.70 116.08 3h16 s GLU 194 Ca 0.43 -0.38 0.06 0.00 0.00 0.00 0.00 54.97 55.08 3h16 s GLU 194 Cb -0.12 -3.95 -0.03 0.00 2.00 0.00 0.00 34.13 32.04 3h16 s GLU 194 CO 0.25 -1.00 -0.16 0.08 -0.56 0.00 0.00 175.26 173.87 3h16 s VAL 195 N 2.79 1.29 -0.00 3.70 1.01 -1.26 -1.25 120.40 126.67 3h16 s VAL 195 Ca 0.22 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 3h16 s VAL 195 Cb -0.14 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3h16 s VAL 195 CO 0.19 -0.11 0.25 -1.66 0.00 0.00 0.00 175.10 173.76 3h16 s TRP 196 N -1.14 -0.09 0.00 5.22 1.48 -1.13 -5.03 118.94 118.26 3h16 s TRP 196 Ca 0.01 0.09 0.00 0.00 -1.06 0.00 0.00 56.10 55.14 3h16 s TRP 196 Cb -0.09 0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.26 3h16 s TRP 196 CO 0.03 -0.37 0.00 2.48 -4.06 0.00 0.00 176.95 175.03 3h16 n TYR 197 N 1.26 0.00 -0.10 1.66 0.18 -1.26 -2.93 117.16 115.96 3h16 n TYR 197 Ca -0.22 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.72 3h16 n TYR 197 Cb 0.56 0.01 0.55 0.00 -0.38 0.00 0.00 39.34 40.07 3h16 n TYR 197 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3h16 h ASP 198 N 0.00 0.29 -0.33 9.48 3.32 -1.98 -0.87 116.42 126.33 3h16 h ASP 198 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3h16 h ASP 198 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h16 h ASP 198 CO 0.00 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 178.15 3h16 n ASP 199 N -4.45 2.08 -0.12 6.45 8.00 -1.26 -4.20 116.55 123.04 3h16 n ASP 199 Ca 0.12 -2.08 0.06 0.00 0.71 0.00 0.00 54.79 53.61 3h16 n ASP 199 Cb 0.51 -0.29 0.09 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.47 0.00 -2.61 1.24 3.72 -0.33 -5.01 117.46 114.94 3h16 n PHE 200 Ca 0.12 -0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 56.38 3h16 n PHE 200 Cb 0.36 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 -2.15 7.23 -0.13 4.37 0.01 -1.25 -2.25 113.70 119.52 3h16 s SER 201 Ca 0.20 1.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.03 3h16 s SER 201 Cb 0.18 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3h16 s SER 201 CO 0.02 -0.40 0.37 -0.76 0.41 0.00 0.00 173.24 172.87 3h16 s LEU 202 N 1.49 4.28 0.19 2.44 1.43 0.40 -4.73 118.68 124.19 3h16 s LEU 202 Ca 0.53 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 54.39 3h16 s LEU 202 Cb -0.22 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3h16 s LEU 202 CO 0.25 0.10 -0.19 -0.13 0.23 0.00 0.00 176.35 176.61 3h16 s ARG 203 N 0.31 1.39 -0.22 1.70 0.52 -1.26 -0.97 118.95 120.41 3h16 s ARG 203 Ca 0.21 -1.52 -0.36 0.00 -0.52 0.00 0.00 55.73 53.54 3h16 s ARG 203 Cb -0.14 -1.44 -0.12 0.00 0.52 0.00 0.00 34.95 33.77 3h16 s ARG 203 CO 0.07 0.28 1.97 -2.30 0.02 0.00 0.00 175.30 175.34 3h16 n PRO 204 N 0.02 1.59 0.00 3.54 -0.02 -1.26 -1.39 135.00 137.48 3h16 n PRO 204 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3h16 n PRO 204 Cb 0.58 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 5.11 0.83 3.90 -1.23 0.00 -1.26 -5.11 105.19 107.42 3h16 n GLY 205 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.34 6.47 -0.61 1.61 -0.00 -0.49 -5.04 116.67 117.28 3h16 s ASP 206 Ca 0.00 0.79 -0.19 0.00 -0.00 0.00 0.00 52.55 53.15 3h16 s ASP 206 Cb 0.00 -2.18 0.11 0.00 -0.00 0.00 0.00 42.92 40.85 3h16 s ASP 206 CO 0.00 -0.21 0.73 -0.55 -0.00 0.00 0.00 175.17 175.13 3h16 s SER 207 N -3.09 6.21 0.22 0.27 0.15 -1.26 -4.93 113.70 111.26 3h16 s SER 207 Ca 0.45 -1.47 -0.13 0.00 0.70 0.00 0.00 55.95 55.50 3h16 s SER 207 Cb -0.11 -2.31 0.26 0.00 -1.71 0.00 0.00 66.02 62.15 3h16 s SER 207 CO 0.29 -1.11 1.62 0.25 1.20 0.00 0.00 173.24 175.48 3h16 h LEU 208 N 9.98 -0.66 0.03 3.45 5.85 -1.98 0.58 115.31 132.57 3h16 h LEU 208 Ca -0.27 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3h16 h LEU 208 Cb 1.08 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 3h16 h LEU 208 CO 1.10 -0.23 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.68 3h16 h ARG 209 N -0.01 -0.33 0.12 1.25 2.43 -1.91 -1.08 114.38 114.85 3h16 h ARG 209 Ca 0.32 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 3h16 h ARG 209 Cb 0.50 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3h16 h ARG 209 CO -0.70 -0.22 -0.39 -0.09 -1.51 0.00 0.00 179.97 177.06 3h16 h ARG 210 N -0.34 -0.56 -0.63 0.20 2.43 -1.45 -2.38 114.38 111.65 3h16 h ARG 210 Ca 0.05 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3h16 h ARG 210 Cb 0.40 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.98 3h16 h ARG 210 CO -0.17 -0.37 -0.57 1.03 -1.51 0.00 0.00 179.97 178.38 3h16 h SER 211 N -0.58 -1.97 -0.84 -3.80 0.87 -0.81 -1.62 113.55 104.79 3h16 h SER 211 Ca -0.01 0.28 0.21 0.00 -1.23 0.00 0.00 61.79 61.04 3h16 h SER 211 Cb 0.57 0.83 -0.13 0.00 -0.44 0.00 0.00 62.40 63.24 3h16 h SER 211 CO -0.19 -0.34 0.24 0.40 -0.53 0.00 0.00 176.83 176.40 3h16 h ILE 212 N -0.25 0.39 -0.28 2.23 1.08 -1.00 -1.07 117.51 118.61 3h16 h ILE 212 Ca 0.11 -0.09 -0.05 0.00 -0.39 0.00 0.00 64.86 64.45 3h16 h ILE 212 Cb 0.53 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 3h16 h ILE 212 CO -0.73 0.05 -0.00 0.44 -0.69 0.00 0.00 178.15 177.21 3h16 h ASP 213 N 0.25 0.50 -0.99 1.72 3.32 -0.79 -1.52 116.42 118.91 3h16 h ASP 213 Ca 0.52 -0.31 0.20 0.00 0.02 0.00 0.00 57.03 57.46 3h16 h ASP 213 Cb 0.99 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 40.31 3h16 h ASP 213 CO -0.60 0.69 0.62 0.50 -1.72 0.00 0.00 179.24 178.72 3h16 h LYS 214 N 0.29 0.62 0.46 3.56 3.64 -0.66 0.54 116.57 125.03 3h16 h LYS 214 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3h16 h LYS 214 Cb 0.44 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3h16 h LYS 214 CO 0.02 0.41 -0.22 0.78 -2.27 0.00 0.00 179.45 178.16 3h16 h GLY 215 N 0.64 -0.65 1.94 5.01 0.00 -0.93 -3.21 103.07 105.87 3h16 h GLY 215 Ca 0.56 0.24 0.01 0.00 0.00 0.00 0.00 47.33 48.14 3h16 h GLY 215 CO -0.32 -0.24 0.02 1.41 0.00 0.00 0.00 176.54 177.41 3h16 h LEU 216 N -0.96 0.01 -1.28 3.11 3.38 -0.27 0.16 115.31 119.46 3h16 h LEU 216 Ca -0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h16 h LEU 216 Cb 0.58 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3h16 h LEU 216 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3h16 n GLY 217 N -1.54 1.64 0.00 0.83 0.00 0.18 -3.48 105.19 102.82 3h16 n GLY 217 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h16 n GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h16 n SER 218 N 0.13 0.00 -4.19 1.61 3.41 -0.63 -5.01 113.62 108.94 3h16 n SER 218 Ca 0.00 -0.50 -0.15 0.00 -0.26 0.00 0.00 58.87 57.96 3h16 n SER 218 Cb 0.32 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.00 1.51 -0.07 4.04 0.01 0.46 -2.43 113.70 117.22 3h16 s SER 219 Ca 0.00 -0.83 -0.26 0.00 1.31 0.00 0.00 55.95 56.17 3h16 s SER 219 Cb 0.00 0.00 -0.23 0.00 0.21 0.00 0.00 66.02 66.00 3h16 s SER 219 CO 0.00 -0.26 1.01 0.03 0.41 0.00 0.00 173.24 174.43 3h16 h ARG 220 N 3.50 0.11 -5.37 12.44 3.08 -0.46 -3.41 114.38 124.26 3h16 h ARG 220 Ca -0.37 -0.11 -0.40 0.00 0.07 0.00 0.00 59.98 59.16 3h16 h ARG 220 Cb 1.19 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.13 3h16 h ARG 220 CO 0.54 0.86 -0.72 -0.06 -1.07 0.00 0.00 179.97 179.52 3h16 s PHE 221 N -3.12 1.55 -0.07 3.04 0.08 0.17 -4.92 117.98 114.70 3h16 s PHE 221 Ca -0.17 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.25 3h16 s PHE 221 Cb 0.00 -0.75 0.01 0.00 -0.57 0.00 0.00 43.02 41.72 3h16 s PHE 221 CO 0.72 0.25 -0.12 0.20 -0.10 0.00 0.00 175.22 176.17 3h16 s GLY 222 N -3.26 0.79 -0.18 4.36 0.00 -0.45 -1.94 107.32 106.64 3h16 s GLY 222 Ca 0.21 -0.43 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 3h16 s GLY 222 CO 0.05 0.21 0.14 -0.42 0.00 0.00 0.00 173.10 173.08 3h16 s ILE 223 N 0.80 5.42 -0.21 0.90 1.01 -0.60 0.16 121.20 128.67 3h16 s ILE 223 Ca -0.12 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.76 3h16 s ILE 223 Cb -0.15 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3h16 s ILE 223 CO 0.02 0.47 -0.15 -0.69 0.00 0.00 0.00 174.94 174.59 3h16 s VAL 224 N 0.10 2.25 -0.60 2.92 1.01 -0.78 -0.44 120.40 124.86 3h16 s VAL 224 Ca 0.10 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3h16 s VAL 224 Cb -0.11 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3h16 s VAL 224 CO -0.01 0.34 1.14 -0.69 0.00 0.00 0.00 175.10 175.88 3h16 s VAL 225 N 1.25 4.07 -0.50 2.92 1.01 -0.66 -1.48 120.40 127.02 3h16 s VAL 225 Ca 0.01 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 3h16 s VAL 225 Cb -0.15 -4.71 0.04 0.00 0.00 0.00 0.00 36.38 31.55 3h16 s VAL 225 CO -0.09 -1.38 0.77 -0.76 0.00 0.00 0.00 175.10 173.64 3h16 s LEU 226 N 4.80 4.46 0.00 3.92 1.43 -0.40 -4.66 118.68 128.23 3h16 s LEU 226 Ca 0.38 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3h16 s LEU 226 Cb -0.09 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3h16 s LEU 226 CO 0.22 -0.99 0.15 -1.54 0.23 0.00 0.00 176.35 174.41 3h16 n SER 227 N 6.73 0.23 0.08 2.29 3.41 -1.26 -1.85 113.62 123.25 3h16 n SER 227 Ca -0.01 -2.47 -0.13 0.00 -0.26 0.00 0.00 58.87 56.00 3h16 n SER 227 Cb 0.47 0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 65.28 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 1.60 0.93 -0.46 6.66 2.02 -1.82 -2.02 112.91 119.83 3h16 h THR 228 Ca -0.18 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.07 3h16 h THR 228 Cb 0.81 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3h16 h THR 228 CO 0.28 0.01 0.32 0.45 0.37 0.00 0.00 175.52 176.94 3h16 h HIS 229 N -0.11 0.20 -0.17 3.16 3.86 -1.97 -1.03 115.15 119.09 3h16 h HIS 229 Ca -0.01 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3h16 h HIS 229 Cb 0.09 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3h16 h HIS 229 CO -0.07 0.09 -0.59 0.35 0.86 0.00 0.00 177.93 178.57 3h16 h PHE 230 N 0.19 0.71 0.03 2.45 3.04 -1.69 -3.23 116.94 118.43 3h16 h PHE 230 Ca 0.21 -0.27 -0.22 0.00 3.98 0.00 0.00 57.97 61.68 3h16 h PHE 230 Cb 0.61 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 3h16 h PHE 230 CO -0.00 1.01 -1.04 0.74 -2.02 0.00 0.00 178.31 177.01 3h16 h PHE 231 N 0.42 0.11 0.00 0.41 0.04 -0.75 -3.17 116.94 114.00 3h16 h PHE 231 Ca -0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3h16 h PHE 231 Cb 1.15 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.29 3h16 h PHE 231 CO 0.05 1.05 0.04 0.87 -0.60 0.00 0.00 178.31 179.71 3h16 h LYS 232 N 0.02 0.00 0.00 1.51 1.79 -1.25 0.19 116.57 118.84 3h16 h LYS 232 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3h16 h LYS 232 Cb 1.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.43 3h16 h LYS 232 CO 0.14 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.14 3h16 n LYS 233 N -3.01 0.27 -3.92 3.15 4.76 -1.20 -4.88 118.16 113.32 3h16 n LYS 233 Ca -0.03 0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 55.11 3h16 n LYS 233 Cb 0.10 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.17 -0.62 -1.04 1.97 1.02 0.68 -4.88 120.64 116.61 3h16 n GLU 234 Ca 0.07 0.23 -0.30 0.00 -0.02 0.00 0.00 57.16 57.14 3h16 n GLU 234 Cb 0.08 -3.12 0.14 0.00 -0.02 0.00 0.00 31.44 28.52 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 -3.49 2.14 0.05 -0.32 0.52 -1.26 -4.98 118.94 111.60 3h16 s TRP 235 Ca 0.48 1.47 -0.30 0.00 0.02 0.00 0.00 56.10 57.78 3h16 s TRP 235 Cb -0.23 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 28.88 3h16 s TRP 235 CO 0.93 -2.45 1.04 -2.14 0.02 0.00 0.00 176.95 174.35 3h16 s PRO 236 N -4.81 4.56 0.32 4.98 0.02 -1.26 -4.96 135.00 133.85 3h16 s PRO 236 Ca 0.64 1.54 0.04 0.00 0.02 0.00 0.00 61.00 63.24 3h16 s PRO 236 Cb -0.19 -3.40 0.83 0.00 0.02 0.00 0.00 34.50 31.75 3h16 s PRO 236 CO 0.58 -0.04 1.57 1.96 -0.33 0.00 0.00 177.00 180.74 3h16 h GLN 237 N 6.39 0.01 -0.08 5.54 1.08 -1.94 -2.19 115.11 123.93 3h16 h GLN 237 Ca -0.42 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3h16 h GLN 237 Cb 1.22 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3h16 h GLN 237 CO 0.76 0.01 0.04 0.87 -0.95 0.00 0.00 178.83 179.56 3h16 h LYS 238 N 0.01 0.11 -0.94 1.46 1.79 -1.95 -2.06 116.57 114.99 3h16 h LYS 238 Ca 0.63 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.22 3h16 h LYS 238 Cb 1.35 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.89 3h16 h LYS 238 CO -0.90 0.15 0.55 0.93 -1.08 0.00 0.00 179.45 179.10 3h16 h GLU 239 N 0.04 0.80 0.23 3.15 5.08 -1.79 0.47 114.58 122.56 3h16 h GLU 239 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3h16 h GLU 239 Cb 0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3h16 h GLU 239 CO -0.00 0.53 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.35 3h16 h LEU 240 N 0.83 -0.27 -0.41 1.33 3.38 -1.41 -1.42 115.31 117.34 3h16 h LEU 240 Ca 0.49 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3h16 h LEU 240 Cb 0.59 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3h16 h LEU 240 CO -0.31 0.05 0.11 0.44 0.09 0.00 0.00 178.44 178.82 3h16 h ASP 241 N -0.60 0.61 0.00 -0.43 3.45 -0.94 -2.41 116.42 116.10 3h16 h ASP 241 Ca -0.03 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.21 3h16 h ASP 241 Cb 0.44 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 3h16 h ASP 241 CO 0.05 0.67 0.00 0.61 -1.57 0.00 0.00 179.24 179.01 3h16 n GLY 242 N -0.62 -0.81 0.07 2.75 0.00 0.16 -3.42 105.19 103.34 3h16 n GLY 242 Ca -0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3h16 n GLY 242 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h16 n LEU 243 N -1.00 0.42 -0.00 0.99 7.94 -0.54 -3.34 117.00 121.47 3h16 n LEU 243 Ca 0.19 0.59 0.00 0.00 -1.11 0.00 0.00 56.01 55.68 3h16 n LEU 243 Cb 0.09 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.53 3h16 n LEU 243 CO 0.14 -0.36 0.42 0.49 -1.11 0.00 0.00 177.39 176.98 3h16 n PHE 244 N -1.94 0.00 -3.32 1.96 3.72 -1.22 -4.87 117.46 111.79 3h16 n PHE 244 Ca 0.03 -0.34 -0.47 0.00 -0.05 0.00 0.00 57.45 56.63 3h16 n PHE 244 Cb 0.25 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3h16 n PHE 244 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3h16 s GLN 245 N -0.68 3.36 0.00 -1.08 -0.21 -1.21 -4.93 119.66 114.90 3h16 s GLN 245 Ca 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 55.36 53.21 3h16 s GLN 245 Cb 0.00 -4.38 0.00 0.00 1.00 0.00 0.00 33.01 29.63 3h16 s GLN 245 CO 0.00 -1.31 0.00 0.54 -2.12 0.00 0.00 175.29 172.41 3h16 n ARG 251 N 4.47 -1.27 -1.71 2.91 1.74 -1.26 -5.03 116.66 116.51 3h16 n ARG 251 Ca 0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 3h16 n ARG 251 Cb 0.44 -1.88 0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3h16 n ARG 251 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3h16 s SER 252 N -0.10 5.74 -0.01 0.55 0.15 -1.26 -5.00 113.70 113.77 3h16 s SER 252 Ca 0.00 1.52 0.20 0.00 0.70 0.00 0.00 55.95 58.37 3h16 s SER 252 Cb 0.00 -2.47 -0.25 0.00 -1.71 0.00 0.00 66.02 61.59 3h16 s SER 252 CO 0.00 -1.20 0.71 0.54 1.20 0.00 0.00 173.24 174.50 3h16 n ARG 253 N -2.96 0.47 -3.73 5.44 1.74 -1.26 -4.89 116.66 111.47 3h16 n ARG 253 Ca 0.07 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3h16 n ARG 253 Cb 0.54 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 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 -3.07 5.05 -0.35 0.55 1.01 -1.26 -1.34 121.20 121.78 3h16 s ILE 254 Ca 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 3h16 s ILE 254 Cb 0.14 -3.35 0.07 0.00 0.01 0.00 0.00 42.46 39.33 3h16 s ILE 254 CO 0.83 0.35 0.12 -0.76 0.00 0.00 0.00 174.94 175.48 3h16 s LEU 255 N 1.18 4.54 0.48 2.97 1.43 0.41 -4.95 118.68 124.74 3h16 s LEU 255 Ca 0.06 -1.47 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 3h16 s LEU 255 Cb -0.14 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 3h16 s LEU 255 CO 0.05 -0.39 0.97 -2.16 0.23 0.00 0.00 176.35 175.05 3h16 s PRO 256 N 1.29 4.06 -0.12 1.29 0.04 -1.26 -1.87 135.00 138.44 3h16 s PRO 256 Ca 0.00 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 3h16 s PRO 256 Cb -0.21 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.20 3h16 s PRO 256 CO -0.00 -0.16 -0.04 0.42 0.04 0.00 0.00 177.00 177.25 3h16 s ILE 257 N -2.43 0.84 -0.00 0.56 1.01 -0.55 -1.74 121.20 118.89 3h16 s ILE 257 Ca 0.60 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 3h16 s ILE 257 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3h16 s ILE 257 CO 0.24 0.26 0.89 0.26 0.00 0.00 0.00 174.94 176.59 3h16 s TRP 258 N 1.77 3.66 -0.21 3.97 0.52 0.24 -1.27 118.94 127.62 3h16 s TRP 258 Ca 0.04 1.58 -0.03 0.00 0.02 0.00 0.00 56.10 57.71 3h16 s TRP 258 Cb -0.13 -3.01 0.07 0.00 -1.15 0.00 0.00 33.47 29.24 3h16 s TRP 258 CO -0.07 0.05 0.05 -1.58 0.02 0.00 0.00 176.95 175.42 3h16 s HIS 259 N 0.79 0.99 -1.45 -1.98 2.46 -0.77 -0.68 115.29 114.65 3h16 s HIS 259 Ca 0.47 -0.90 -0.09 0.00 0.47 0.00 0.00 55.06 55.01 3h16 s HIS 259 Cb -0.20 -1.06 0.05 0.00 -0.13 0.00 0.00 32.58 31.24 3h16 s HIS 259 CO 0.25 -0.64 0.74 1.63 -2.47 0.00 0.00 174.74 174.25 3h16 n LYS 260 N 5.06 -4.96 -4.40 2.88 5.02 -1.26 -4.41 118.16 116.08 3h16 n LYS 260 Ca -0.08 0.69 -0.24 0.00 -2.02 0.00 0.00 58.31 56.66 3h16 n LYS 260 Cb 0.46 -5.54 -0.11 0.00 -0.02 0.00 0.00 35.03 29.83 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 -3.15 2.18 0.19 -0.18 -7.23 -1.26 -4.62 120.40 106.33 3h16 s VAL 261 Ca 0.46 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.58 3h16 s VAL 261 Cb -0.22 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3h16 s VAL 261 CO 0.57 -0.27 0.29 -0.94 -0.31 0.00 0.00 175.10 174.44 3h16 s SER 262 N -2.89 6.22 0.18 4.85 1.04 -1.26 -4.97 113.70 116.86 3h16 s SER 262 Ca 0.21 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 3h16 s SER 262 Cb -0.06 -1.82 0.09 0.00 0.10 0.00 0.00 66.02 64.33 3h16 s SER 262 CO 0.10 0.00 1.82 0.50 0.98 0.00 0.00 173.24 176.64 3h16 h LYS 263 N 1.77 0.63 0.00 4.02 3.64 -1.99 -0.26 116.57 124.38 3h16 h LYS 263 Ca -0.50 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 3h16 h LYS 263 Cb 1.21 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3h16 h LYS 263 CO 0.65 0.41 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.70 3h16 h ASP 264 N 0.64 0.00 0.38 4.20 3.32 -1.97 0.13 116.42 123.13 3h16 h ASP 264 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3h16 h ASP 264 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h16 h ASP 264 CO -0.08 0.11 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.28 3h16 h GLU 265 N 0.00 -0.49 -0.89 3.56 4.81 -1.63 -3.11 114.58 116.82 3h16 h GLU 265 Ca -0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 3h16 h GLU 265 Cb 0.20 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3h16 h GLU 265 CO 0.01 -0.23 0.54 0.28 -0.73 0.00 0.00 179.01 178.88 3h16 h VAL 266 N -1.05 0.94 0.00 0.32 2.07 -0.86 -1.56 116.25 116.12 3h16 h VAL 266 Ca -0.05 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3h16 h VAL 266 Cb 0.50 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3h16 h VAL 266 CO 0.09 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.84 3h16 h ALA 267 N 1.47 1.16 -0.01 1.67 0.00 -0.79 -1.92 119.26 120.84 3h16 h ALA 267 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3h16 h ALA 267 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h16 h ALA 267 CO -0.24 0.01 -0.07 -1.13 0.00 0.00 0.00 179.25 177.82 3h16 n SER 268 N -3.32 0.58 -0.03 0.00 3.41 -0.59 -3.40 113.62 110.28 3h16 n SER 268 Ca -0.03 -0.85 -0.02 0.00 -0.26 0.00 0.00 58.87 57.71 3h16 n SER 268 Cb 0.09 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 3h16 n SER 268 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3h16 n PHE 269 N -0.74 0.00 -3.09 7.33 3.72 -0.77 -4.97 117.46 118.93 3h16 n PHE 269 Ca 0.17 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.61 3h16 n PHE 269 Cb 0.26 -0.27 -0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3h16 n PHE 269 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h16 s SER 270 N -3.58 -1.06 0.45 4.37 0.15 -0.91 -4.80 113.70 108.32 3h16 s SER 270 Ca -0.03 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 56.67 3h16 s SER 270 Cb 0.02 1.52 1.18 0.00 -1.71 0.00 0.00 66.02 67.04 3h16 s SER 270 CO 0.25 -0.16 1.87 -0.65 1.20 0.00 0.00 173.24 175.75 3h16 h PRO 271 N 7.06 0.29 0.60 5.44 0.11 -1.79 -1.72 132.00 141.99 3h16 h PRO 271 Ca -0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3h16 h PRO 271 Cb 1.19 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.24 3h16 h PRO 271 CO 0.03 0.19 -0.29 1.15 -0.21 0.00 0.00 178.00 178.88 3h16 h THR 272 N 0.30 0.00 -0.96 -1.15 2.02 -1.94 -2.97 112.91 108.21 3h16 h THR 272 Ca 0.44 -0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.86 3h16 h THR 272 Cb 1.26 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.54 3h16 h THR 272 CO -0.13 0.00 0.50 -0.03 0.37 0.00 0.00 175.52 176.23 3h16 h MET 273 N -0.81 0.46 0.00 6.66 -1.53 -1.74 0.28 114.93 118.25 3h16 h MET 273 Ca -0.08 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 3h16 h MET 273 Cb 0.62 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 3h16 h MET 273 CO 0.14 0.30 0.00 0.00 0.14 0.00 0.00 176.91 177.49 3h16 n ALA 274 N -2.39 1.97 0.06 0.39 0.00 -0.71 -2.86 120.51 116.97 3h16 n ALA 274 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3h16 n ALA 274 Cb 0.73 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 3h16 n ALA 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h16 n ASP 275 N -1.19 2.88 -4.65 0.00 8.00 0.94 -4.92 116.55 117.62 3h16 n ASP 275 Ca 0.09 -0.15 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 3h16 n ASP 275 Cb 0.10 1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 42.38 3h16 n ASP 275 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3h16 s LYS 276 N -2.20 4.08 0.28 -1.24 2.20 -0.98 -4.96 119.74 116.93 3h16 s LYS 276 Ca -0.01 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 3h16 s LYS 276 Cb 0.04 -3.82 -0.13 0.00 -1.51 0.00 0.00 37.83 32.41 3h16 s LYS 276 CO 0.24 -0.90 1.36 1.28 -0.36 0.00 0.00 175.35 176.96 3h16 n LEU 277 N 7.10 3.31 -4.07 5.43 4.77 -1.26 -4.97 117.00 127.31 3h16 n LEU 277 Ca 0.14 1.17 -0.14 0.00 -0.03 0.00 0.00 56.01 57.15 3h16 n LEU 277 Cb 0.46 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 3h16 n LEU 277 CO 0.59 -0.48 0.16 0.00 -1.33 0.00 0.00 177.39 176.34 3h16 s ALA 278 N -0.50 0.66 0.51 -1.18 0.00 -1.26 -5.01 121.76 114.99 3h16 s ALA 278 Ca 0.63 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 3h16 s ALA 278 Cb -0.61 1.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 3h16 s ALA 278 CO 0.55 -0.80 1.06 -0.06 0.00 0.00 0.00 175.76 176.50 3h16 s PHE 279 N -3.02 2.92 -0.22 0.00 0.08 -0.71 -4.88 117.98 112.15 3h16 s PHE 279 Ca 0.29 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.87 3h16 s PHE 279 Cb -0.01 -3.11 0.12 0.00 -0.57 0.00 0.00 43.02 39.45 3h16 s PHE 279 CO 0.20 -1.03 0.34 1.21 -0.10 0.00 0.00 175.22 175.84 3h16 s ASN 280 N -2.04 0.42 0.00 1.36 3.84 -1.26 0.82 114.94 118.08 3h16 s ASN 280 Ca 0.68 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.99 3h16 s ASN 280 Cb -0.18 0.97 0.00 0.00 -0.55 0.00 0.00 41.25 41.49 3h16 s ASN 280 CO 0.24 -0.29 0.60 0.35 -2.79 0.00 0.00 177.10 175.20 3h16 n THR 281 N 5.36 0.46 0.41 -5.21 -2.24 0.14 -0.97 114.28 112.22 3h16 n THR 281 Ca -0.05 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 3h16 n THR 281 Cb 0.50 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 3h16 n THR 281 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h16 n SER 282 N -1.10 0.47 -0.04 3.42 3.41 -1.26 -4.37 113.62 114.14 3h16 n SER 282 Ca 0.00 -0.30 -0.02 0.00 -0.26 0.00 0.00 58.87 58.30 3h16 n SER 282 Cb 0.00 1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 65.20 3h16 n SER 282 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h16 n THR 283 N -2.01 0.51 -4.24 6.66 -2.24 -0.15 -5.02 114.28 107.80 3h16 n THR 283 Ca -0.00 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 3h16 n THR 283 Cb 0.47 -0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.46 1.01 0.69 -0.78 1.02 -0.71 -5.08 119.74 113.42 3h16 s LYS 284 Ca -0.05 -1.23 -0.07 0.00 0.02 0.00 0.00 55.97 54.64 3h16 s LYS 284 Cb 0.05 -0.88 0.05 0.00 -0.52 0.00 0.00 37.83 36.53 3h16 s LYS 284 CO 0.47 0.17 1.00 -1.54 -0.92 0.00 0.00 175.35 174.53 3h16 s SER 285 N -2.45 4.99 0.34 2.83 1.04 -1.26 -4.18 113.70 115.01 3h16 s SER 285 Ca 0.09 0.55 0.05 0.00 0.48 0.00 0.00 55.95 57.12 3h16 s SER 285 Cb -0.05 -1.27 0.62 0.00 0.10 0.00 0.00 66.02 65.42 3h16 s SER 285 CO 0.03 -1.49 1.86 0.58 0.98 0.00 0.00 173.24 175.20 3h16 h VAL 286 N -0.53 1.20 0.85 5.02 2.07 -1.97 -1.04 116.25 121.85 3h16 h VAL 286 Ca -0.45 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 3h16 h VAL 286 Cb 1.30 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3h16 h VAL 286 CO 0.61 0.28 -0.49 0.44 0.02 0.00 0.00 177.57 178.43 3h16 h ASP 287 N 0.42 -1.22 -0.98 0.57 3.45 -1.99 0.17 116.42 116.84 3h16 h ASP 287 Ca 0.09 0.06 0.15 0.00 0.43 0.00 0.00 57.03 57.76 3h16 h ASP 287 Cb 0.39 0.34 -0.09 0.00 -0.56 0.00 0.00 39.33 39.41 3h16 h ASP 287 CO 0.02 -0.77 0.59 -0.33 -1.57 0.00 0.00 179.24 177.18 3h16 h GLU 288 N -1.25 0.82 -0.44 3.56 5.08 -1.89 -0.56 114.58 119.90 3h16 h GLU 288 Ca -0.12 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3h16 h GLU 288 Cb 0.99 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3h16 h GLU 288 CO 0.14 0.54 -0.12 0.82 -1.00 0.00 0.00 179.01 179.39 3h16 h ILE 289 N 0.84 1.27 -0.42 3.13 2.04 -0.91 -1.85 117.51 121.62 3h16 h ILE 289 Ca 0.52 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 3h16 h ILE 289 Cb 0.68 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3h16 h ILE 289 CO -0.33 0.42 0.03 0.58 0.00 0.00 0.00 178.15 178.85 3h16 h VAL 290 N 0.69 1.21 0.28 1.67 2.07 0.50 0.71 116.25 123.38 3h16 h VAL 290 Ca 0.11 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3h16 h VAL 290 Cb 0.66 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3h16 h VAL 290 CO 0.05 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.80 3h16 h ALA 291 N 1.41 -0.37 -0.33 1.67 0.00 -0.89 0.15 119.26 120.90 3h16 h ALA 291 Ca 0.13 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h16 h ALA 291 Cb 0.35 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h16 h ALA 291 CO 0.01 -0.66 0.22 -0.44 0.00 0.00 0.00 179.25 178.38 3h16 h ASP 292 N -0.47 0.26 -0.06 0.00 3.32 -1.05 -1.90 116.42 116.52 3h16 h ASP 292 Ca -0.04 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 3h16 h ASP 292 Cb 0.35 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3h16 h ASP 292 CO 0.06 0.18 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.13 3h16 h LEU 293 N 0.30 0.72 -1.07 1.55 3.38 -0.03 -2.83 115.31 117.33 3h16 h LEU 293 Ca 0.14 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3h16 h LEU 293 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3h16 h LEU 293 CO -0.03 1.13 -0.11 0.24 0.09 0.00 0.00 178.44 179.76 3h16 h MET 294 N 0.49 0.53 -0.77 1.13 2.86 0.05 -1.08 114.93 118.14 3h16 h MET 294 Ca 0.01 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 3h16 h MET 294 Cb 1.13 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3h16 h MET 294 CO 0.11 0.64 0.34 0.00 1.06 0.00 0.00 176.91 179.06 3h16 h ALA 295 N 1.39 1.15 -0.08 6.32 0.00 -1.33 0.25 119.26 126.97 3h16 h ALA 295 Ca 0.09 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3h16 h ALA 295 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h16 h ALA 295 CO 0.03 0.63 -0.57 0.82 0.00 0.00 0.00 179.25 180.16 3h16 h ILE 296 N 1.10 1.37 -0.05 0.00 2.04 -1.17 -3.13 117.51 117.67 3h16 h ILE 296 Ca 0.26 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 3h16 h ILE 296 Cb 0.16 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3h16 h ILE 296 CO -0.03 0.56 -0.26 0.40 0.00 0.00 0.00 178.15 178.83 3h16 h ILE 297 N 0.18 1.45 0.00 -0.67 2.04 -0.71 -3.52 117.51 116.28 3h16 h ILE 297 Ca -0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3h16 h ILE 297 Cb 1.05 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 3h16 h ILE 297 CO 0.09 0.48 0.00 0.54 0.00 0.00 0.00 178.15 179.26