#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h16 s HIS 166 N 0.00 -0.07 -0.07 0.54 3.76 -1.13 -5.02 115.29 113.30 3h16 s HIS 166 Ca 0.00 0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 55.07 3h16 s HIS 166 Cb 0.00 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.69 3h16 s HIS 166 CO 0.00 -0.07 0.13 -0.44 -0.85 0.00 0.00 174.74 173.52 3h16 h ASP 167 N 5.85 -0.08 -4.28 1.40 3.32 -1.67 0.15 116.42 121.11 3h16 h ASP 167 Ca -0.25 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.24 3h16 h ASP 167 Cb 1.20 0.02 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 3h16 h ASP 167 CO 0.45 0.29 -0.83 -0.63 -1.72 0.00 0.00 179.24 176.79 3h16 s ILE 168 N -1.77 1.60 -0.02 0.35 1.01 -0.72 -0.10 121.20 121.56 3h16 s ILE 168 Ca -0.01 -1.21 0.06 0.00 0.00 0.00 0.00 60.65 59.48 3h16 s ILE 168 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3h16 s ILE 168 CO 0.04 0.15 -0.18 0.72 0.00 0.00 0.00 174.94 175.67 3h16 s PHE 169 N -0.84 1.66 -0.41 3.97 -0.71 -1.08 -2.13 117.98 118.44 3h16 s PHE 169 Ca 0.07 -0.32 -0.11 0.00 -1.04 0.00 0.00 56.93 55.53 3h16 s PHE 169 Cb -0.09 -1.07 0.06 0.00 -1.21 0.00 0.00 43.02 40.71 3h16 s PHE 169 CO 0.02 -0.03 0.25 0.42 -1.34 0.00 0.00 175.22 174.54 3h16 s ILE 170 N -0.42 4.51 -0.10 -4.49 1.01 -0.93 -0.89 121.20 119.90 3h16 s ILE 170 Ca 0.07 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.32 3h16 s ILE 170 Cb -0.07 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3h16 s ILE 170 CO -0.01 -0.40 0.93 -0.55 0.00 0.00 0.00 174.94 174.92 3h16 s SER 171 N 1.93 7.18 0.12 3.58 0.15 0.24 -4.67 113.70 122.23 3h16 s SER 171 Ca 0.03 1.44 -0.25 0.00 0.70 0.00 0.00 55.95 57.86 3h16 s SER 171 Cb -0.21 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.65 3h16 s SER 171 CO 0.05 -0.37 0.77 -1.38 1.20 0.00 0.00 173.24 173.50 3h16 s HIS 172 N 1.74 -0.37 0.22 3.44 -0.00 -1.08 -1.30 115.29 117.95 3h16 s HIS 172 Ca 0.46 0.14 -0.30 0.00 -0.00 0.00 0.00 55.06 55.36 3h16 s HIS 172 Cb -0.18 0.58 -0.09 0.00 -0.00 0.00 0.00 32.58 32.90 3h16 s HIS 172 CO 0.18 -0.79 1.04 0.00 -0.00 0.00 0.00 174.74 175.17 3h16 s ALA 173 N -3.49 3.36 0.46 -1.38 0.00 -1.26 -0.35 121.76 119.10 3h16 s ALA 173 Ca 0.05 0.77 0.23 0.00 0.00 0.00 0.00 51.96 53.00 3h16 s ALA 173 Cb -0.02 -3.30 1.23 0.00 0.00 0.00 0.00 23.12 21.04 3h16 s ALA 173 CO -0.07 -0.06 1.86 0.11 0.00 0.00 0.00 175.76 177.60 3h16 h TRP 174 N 4.44 0.36 0.00 0.00 5.08 -1.54 0.51 115.95 124.80 3h16 h TRP 174 Ca -0.45 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.53 3h16 h TRP 174 Cb 1.21 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 27.26 3h16 h TRP 174 CO 0.61 0.08 -0.02 0.93 -1.28 0.00 0.00 178.44 178.76 3h16 h GLU 175 N 0.26 0.00 -0.03 0.12 3.07 -1.91 -2.65 114.58 113.44 3h16 h GLU 175 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3h16 h GLU 175 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 3h16 h GLU 175 CO -0.13 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.25 3h16 n ASP 176 N -3.29 2.37 0.45 1.42 8.00 0.17 -4.53 116.55 121.14 3h16 n ASP 176 Ca -0.02 -1.79 -0.18 0.00 0.71 0.00 0.00 54.79 53.51 3h16 n ASP 176 Cb 0.15 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.16 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 3.71 -1.12 -0.02 -1.24 3.64 -1.55 -1.55 116.57 118.43 3h16 h LYS 177 Ca 0.00 0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3h16 h LYS 177 Cb 0.79 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3h16 h LYS 177 CO 0.00 -0.74 -0.03 0.00 -2.27 0.00 0.00 179.45 176.41 3h16 h ALA 178 N -1.25 -0.00 -0.46 5.00 0.00 -1.79 0.03 119.26 120.78 3h16 h ALA 178 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h16 h ALA 178 Cb 0.89 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h16 h ALA 178 CO 0.20 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.53 3h16 n ASP 179 N -5.13 3.29 0.16 0.00 5.68 -1.25 -4.59 116.55 114.71 3h16 n ASP 179 Ca -0.06 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 3h16 n ASP 179 Cb 0.07 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 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 0.76 -3.80 0.16 2.11 7.35 -0.87 -4.96 117.46 118.22 3h16 n PHE 180 Ca 0.18 1.05 0.03 0.00 -0.76 0.00 0.00 57.45 57.94 3h16 n PHE 180 Cb 0.61 2.70 0.39 0.00 0.35 0.00 0.00 39.48 43.53 3h16 n PHE 180 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 3h16 h VAL 181 N 0.00 1.20 -0.15 -2.13 3.04 -1.23 -1.08 116.25 115.91 3h16 h VAL 181 Ca 0.00 -0.95 0.01 0.00 -1.01 0.00 0.00 66.70 64.75 3h16 h VAL 181 Cb 0.00 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3h16 h VAL 181 CO 0.00 0.28 0.06 -0.08 -1.01 0.00 0.00 177.57 176.82 3h16 h GLU 182 N 0.11 0.13 -0.38 4.17 4.81 -1.23 0.46 114.58 122.66 3h16 h GLU 182 Ca 0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3h16 h GLU 182 Cb 0.48 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3h16 h GLU 182 CO 0.03 0.08 -0.11 0.00 -0.73 0.00 0.00 179.01 178.29 3h16 h ALA 183 N 1.08 1.11 -0.30 2.92 0.00 -1.74 -2.23 119.26 120.11 3h16 h ALA 183 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3h16 h ALA 183 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h16 h ALA 183 CO -0.06 0.55 0.08 1.25 0.00 0.00 0.00 179.25 181.08 3h16 h LEU 184 N 0.60 0.46 -1.27 0.00 5.85 -0.71 -1.82 115.31 118.41 3h16 h LEU 184 Ca 0.11 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3h16 h LEU 184 Cb 0.53 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3h16 h LEU 184 CO 0.03 0.56 0.08 0.00 -0.34 0.00 0.00 178.44 178.77 3h16 h ALA 185 N 0.91 1.41 -0.52 1.25 0.00 -0.76 -1.53 119.26 120.02 3h16 h ALA 185 Ca 0.10 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3h16 h ALA 185 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3h16 h ALA 185 CO 0.00 0.42 -0.15 1.25 0.00 0.00 0.00 179.25 180.78 3h16 h HIS 186 N 0.57 1.15 -0.05 0.00 -0.00 -1.15 -1.30 115.15 114.37 3h16 h HIS 186 Ca 0.13 -0.26 -0.12 0.00 -0.00 0.00 0.00 60.37 60.12 3h16 h HIS 186 Cb 0.24 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3h16 h HIS 186 CO 0.01 1.08 -0.53 1.15 -0.00 0.00 0.00 177.93 179.64 3h16 h THR 187 N 0.89 1.37 -0.15 6.26 2.02 -0.93 -1.91 112.91 120.47 3h16 h THR 187 Ca 0.13 -1.81 -0.11 0.00 0.77 0.00 0.00 66.41 65.39 3h16 h THR 187 Cb 0.72 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3h16 h THR 187 CO 0.06 0.53 -0.33 -0.07 0.37 0.00 0.00 175.52 176.08 3h16 h LEU 188 N 0.11 0.54 -1.38 2.58 3.38 -1.17 -2.80 115.31 116.57 3h16 h LEU 188 Ca 0.00 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 3h16 h LEU 188 Cb 0.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3h16 h LEU 188 CO 0.08 1.01 -0.10 0.03 0.09 0.00 0.00 178.44 179.54 3h16 h ARG 189 N 0.10 0.29 0.00 1.13 3.08 -1.15 -0.43 114.38 117.39 3h16 h ARG 189 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3h16 h ARG 189 Cb 0.93 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3h16 h ARG 189 CO 0.07 0.40 -0.05 0.00 -1.07 0.00 0.00 179.97 179.32 3h16 h ALA 190 N 1.63 1.00 -0.13 0.04 0.00 -1.33 -1.12 119.26 119.34 3h16 h ALA 190 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h16 h ALA 190 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h16 h ALA 190 CO 0.02 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3h16 n ALA 191 N -2.12 2.53 -1.63 0.00 0.00 -0.21 -4.94 120.51 114.15 3h16 n ALA 191 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 52.96 3h16 n ALA 191 Cb 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.13 -0.34 3.16 0.00 0.00 -0.42 -5.06 105.19 103.66 3h16 n GLY 192 Ca 0.17 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.00 -0.76 -0.12 4.61 0.00 -1.12 -4.97 121.76 116.40 3h16 s ALA 193 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 3h16 s ALA 193 Cb -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3h16 s ALA 193 CO 0.06 -0.20 1.08 -2.00 0.00 0.00 0.00 175.76 174.70 3h16 s GLU 194 N 0.92 4.36 -0.02 0.00 2.12 -1.26 -4.04 118.70 120.79 3h16 s GLU 194 Ca -0.06 1.47 -0.01 0.00 0.36 0.00 0.00 54.97 56.73 3h16 s GLU 194 Cb -0.07 -3.58 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3h16 s GLU 194 CO -0.07 -0.43 0.04 0.08 -0.54 0.00 0.00 175.26 174.34 3h16 s VAL 195 N 2.39 -0.00 0.04 3.70 1.01 -1.26 -1.75 120.40 124.53 3h16 s VAL 195 Ca 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3h16 s VAL 195 Cb -0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3h16 s VAL 195 CO 0.16 0.01 0.01 -1.66 0.00 0.00 0.00 175.10 173.62 3h16 s TRP 196 N 0.10 0.35 0.00 5.22 1.48 -0.90 -5.02 118.94 120.16 3h16 s TRP 196 Ca -0.01 -0.74 0.00 0.00 -1.06 0.00 0.00 56.10 54.29 3h16 s TRP 196 Cb -0.01 -0.25 0.00 0.00 -1.16 0.00 0.00 33.47 32.04 3h16 s TRP 196 CO -0.00 -0.33 0.00 2.48 -4.06 0.00 0.00 176.95 175.04 3h16 n TYR 197 N 0.71 0.00 -0.18 1.66 4.11 -1.26 -2.18 117.16 120.02 3h16 n TYR 197 Ca -0.18 0.00 0.21 0.00 -0.00 0.00 0.00 57.90 57.92 3h16 n TYR 197 Cb 0.59 0.00 0.58 0.00 -0.00 0.00 0.00 39.34 40.51 3h16 n TYR 197 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3h16 h ASP 198 N 0.00 0.26 -0.14 9.48 3.32 -1.97 0.97 116.42 128.35 3h16 h ASP 198 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h16 h ASP 198 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3h16 h ASP 198 CO 0.00 0.11 0.00 0.47 -1.72 0.00 0.00 179.24 178.10 3h16 n ASP 199 N -4.44 1.00 -1.04 6.45 10.43 -1.26 -3.92 116.55 123.78 3h16 n ASP 199 Ca 0.17 -1.77 0.02 0.00 2.57 0.00 0.00 54.79 55.78 3h16 n ASP 199 Cb 0.71 -0.09 0.14 0.00 1.84 0.00 0.00 41.12 43.72 3h16 n ASP 199 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3h16 n PHE 200 N -0.05 0.33 -2.97 1.24 3.72 0.34 -4.99 117.46 115.08 3h16 n PHE 200 Ca 0.11 -1.37 -0.43 0.00 -0.05 0.00 0.00 57.45 55.71 3h16 n PHE 200 Cb 0.19 -0.24 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 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 -3.01 6.38 0.07 4.37 0.01 -1.25 -2.64 113.70 117.63 3h16 s SER 201 Ca 0.38 -0.21 -0.25 0.00 1.31 0.00 0.00 55.95 57.17 3h16 s SER 201 Cb 0.38 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 64.16 3h16 s SER 201 CO -0.08 -0.95 0.77 -0.76 0.41 0.00 0.00 173.24 172.63 3h16 s LEU 202 N 3.31 4.48 0.18 2.44 1.43 0.53 -4.71 118.68 126.34 3h16 s LEU 202 Ca 0.28 1.50 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 3h16 s LEU 202 Cb -0.13 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3h16 s LEU 202 CO 0.21 0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.55 3h16 s ARG 203 N -0.29 1.28 0.32 1.70 0.52 -1.26 -1.48 118.95 119.74 3h16 s ARG 203 Ca 0.38 -1.47 -0.29 0.00 -0.52 0.00 0.00 55.73 53.84 3h16 s ARG 203 Cb -0.21 -1.22 -0.12 0.00 0.52 0.00 0.00 34.95 33.92 3h16 s ARG 203 CO 0.24 0.23 1.37 -0.35 0.02 0.00 0.00 175.30 176.81 3h16 n PRO 204 N 0.05 2.23 0.00 3.54 -0.04 -1.26 -1.23 135.00 138.29 3h16 n PRO 204 Ca -0.11 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3h16 n PRO 204 Cb 0.58 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3h16 n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h16 n GLY 205 N 1.17 2.78 3.44 0.55 0.00 -1.26 -5.05 105.19 106.80 3h16 n GLY 205 Ca 0.06 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3h16 n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h16 n ASP 206 N 0.44 -2.03 -4.28 1.61 8.00 -0.37 -5.00 116.55 114.93 3h16 n ASP 206 Ca 0.00 -0.24 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 3h16 n ASP 206 Cb 0.00 -1.23 -0.14 0.00 -0.02 0.00 0.00 41.12 39.73 3h16 n ASP 206 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h16 s SER 207 N -2.38 4.12 0.12 -2.24 0.15 -1.26 -4.98 113.70 107.23 3h16 s SER 207 Ca 0.69 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.75 3h16 s SER 207 Cb -0.25 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 3h16 s SER 207 CO 0.66 -0.02 1.51 0.25 1.20 0.00 0.00 173.24 176.84 3h16 h LEU 208 N 8.08 0.79 0.01 3.45 5.85 -1.97 -2.61 115.31 128.91 3h16 h LEU 208 Ca -0.42 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 57.95 3h16 h LEU 208 Cb 1.15 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3h16 h LEU 208 CO 0.61 1.00 -0.25 -0.09 -0.34 0.00 0.00 178.44 179.37 3h16 h ARG 209 N 0.58 -0.38 0.69 1.25 2.43 -1.94 -2.37 114.38 114.64 3h16 h ARG 209 Ca 0.09 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3h16 h ARG 209 Cb 0.68 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3h16 h ARG 209 CO 0.05 -0.25 -0.39 0.00 -1.51 0.00 0.00 179.97 177.87 3h16 h ARG 210 N -0.39 -0.96 -0.88 0.20 -0.00 -1.98 -2.66 114.38 107.70 3h16 h ARG 210 Ca 0.06 0.07 0.10 0.00 -0.50 0.00 0.00 59.98 59.70 3h16 h ARG 210 Cb 0.47 0.22 -0.12 0.00 0.00 0.00 0.00 29.97 30.54 3h16 h ARG 210 CO -0.22 -0.64 -0.46 0.45 0.00 0.00 0.00 179.97 179.10 3h16 n SER 211 N -4.87 -0.81 -0.24 7.04 2.88 -0.99 -0.55 113.62 116.08 3h16 n SER 211 Ca -0.12 1.56 0.02 0.00 -1.33 0.00 0.00 58.87 59.00 3h16 n SER 211 Cb 0.41 -0.25 0.14 0.00 -0.75 0.00 0.00 64.21 63.76 3h16 n SER 211 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3h16 h ILE 212 N 0.00 0.81 -0.44 2.46 1.08 -1.40 -1.55 117.51 118.47 3h16 h ILE 212 Ca 0.20 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 3h16 h ILE 212 Cb 0.42 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3h16 h ILE 212 CO -0.85 0.10 0.04 0.44 -0.69 0.00 0.00 178.15 177.20 3h16 h ASP 213 N 0.57 0.73 -0.35 1.72 5.19 -0.45 -0.96 116.42 122.86 3h16 h ASP 213 Ca 0.36 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 3h16 h ASP 213 Cb 0.41 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 3h16 h ASP 213 CO -0.29 0.83 0.08 0.50 -3.12 0.00 0.00 179.24 177.23 3h16 h LYS 214 N 0.60 0.19 -0.44 3.56 3.64 -0.51 -0.48 116.57 123.13 3h16 h LYS 214 Ca 0.13 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3h16 h LYS 214 Cb 0.43 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3h16 h LYS 214 CO 0.02 0.13 -0.18 0.78 -2.27 0.00 0.00 179.45 177.92 3h16 h GLY 215 N 0.20 0.98 2.00 5.01 0.00 -1.19 -2.47 103.07 107.60 3h16 h GLY 215 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3h16 h GLY 215 CO -0.21 0.78 0.00 1.41 0.00 0.00 0.00 176.54 178.53 3h16 h LEU 216 N 0.73 0.00 0.00 3.11 3.38 -0.92 0.29 115.31 121.91 3h16 h LEU 216 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h16 h LEU 216 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3h16 h LEU 216 CO 0.06 0.00 -0.04 1.23 0.09 0.00 0.00 178.44 179.77 3h16 h GLY 217 N 1.40 0.00 0.00 0.83 0.00 -0.60 -3.34 103.07 101.35 3h16 h GLY 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h16 h GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 3h16 n SER 218 N -2.99 0.93 -4.03 0.19 3.41 -0.75 -5.06 113.62 105.32 3h16 n SER 218 Ca 0.04 -1.46 -0.13 0.00 -0.26 0.00 0.00 58.87 57.05 3h16 n SER 218 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.46 0.74 0.07 4.04 0.01 0.95 -2.84 113.70 116.21 3h16 s SER 219 Ca 0.00 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 56.66 3h16 s SER 219 Cb 0.00 0.01 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 3h16 s SER 219 CO 0.00 -0.14 1.42 0.03 0.41 0.00 0.00 173.24 174.96 3h16 h ARG 220 N 4.93 0.51 -4.94 12.44 3.08 -0.33 -3.41 114.38 126.66 3h16 h ARG 220 Ca -0.33 -0.24 -0.36 0.00 0.07 0.00 0.00 59.98 59.12 3h16 h ARG 220 Cb 1.20 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 3h16 h ARG 220 CO 0.43 0.80 -0.62 -0.06 -1.07 0.00 0.00 179.97 179.45 3h16 s PHE 221 N -4.51 1.56 0.01 3.04 0.08 0.86 -4.92 117.98 114.10 3h16 s PHE 221 Ca -0.13 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.82 3h16 s PHE 221 Cb 0.07 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3h16 s PHE 221 CO 0.78 -0.25 -0.03 0.20 -0.10 0.00 0.00 175.22 175.82 3h16 s GLY 222 N -3.32 0.20 -0.07 4.36 0.00 -0.03 -2.63 107.32 105.82 3h16 s GLY 222 Ca 0.35 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.80 3h16 s GLY 222 CO 0.12 -0.29 -0.10 -0.42 0.00 0.00 0.00 173.10 172.42 3h16 s ILE 223 N -0.49 3.44 -0.18 0.90 1.01 -0.07 0.85 121.20 126.67 3h16 s ILE 223 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3h16 s ILE 223 Cb -0.04 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3h16 s ILE 223 CO -0.00 0.58 -0.18 -0.69 0.00 0.00 0.00 174.94 174.65 3h16 s VAL 224 N -0.58 2.21 -0.60 2.92 1.01 -0.65 0.83 120.40 125.53 3h16 s VAL 224 Ca 0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3h16 s VAL 224 Cb -0.12 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.40 3h16 s VAL 224 CO 0.02 0.53 0.85 -0.69 0.00 0.00 0.00 175.10 175.81 3h16 s VAL 225 N 1.31 4.52 -0.71 2.92 1.01 -0.42 -1.46 120.40 127.58 3h16 s VAL 225 Ca 0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3h16 s VAL 225 Cb -0.13 -4.55 0.06 0.00 0.00 0.00 0.00 36.38 31.76 3h16 s VAL 225 CO -0.12 -1.21 1.08 -0.76 0.00 0.00 0.00 175.10 174.09 3h16 s LEU 226 N 3.54 4.02 0.36 3.92 1.43 0.09 -4.67 118.68 127.38 3h16 s LEU 226 Ca 0.21 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 3h16 s LEU 226 Cb -0.18 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 3h16 s LEU 226 CO 0.12 -1.55 0.08 -0.94 0.23 0.00 0.00 176.35 174.29 3h16 s SER 227 N 3.74 2.59 0.13 2.29 1.04 -1.26 -1.32 113.70 120.91 3h16 s SER 227 Ca 0.27 -1.50 -0.24 0.00 0.48 0.00 0.00 55.95 54.95 3h16 s SER 227 Cb -0.13 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 3h16 s SER 227 CO 0.10 -0.74 1.63 0.74 0.98 0.00 0.00 173.24 175.95 3h16 h THR 228 N 1.96 0.40 -0.69 2.02 2.02 -1.84 -0.60 112.91 116.18 3h16 h THR 228 Ca -0.39 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.91 3h16 h THR 228 Cb 1.26 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3h16 h THR 228 CO 0.65 0.00 0.46 0.45 0.37 0.00 0.00 175.52 177.45 3h16 h HIS 229 N -0.34 0.51 -0.12 3.16 3.86 -1.96 -1.18 115.15 119.08 3h16 h HIS 229 Ca 0.09 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3h16 h HIS 229 Cb 0.47 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3h16 h HIS 229 CO -0.34 0.22 0.05 0.35 0.86 0.00 0.00 177.93 179.07 3h16 h PHE 230 N 0.46 0.18 0.00 2.45 3.04 -1.42 -3.02 116.94 118.63 3h16 h PHE 230 Ca 0.33 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 3h16 h PHE 230 Cb 0.65 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.11 3h16 h PHE 230 CO -0.00 0.28 0.00 0.74 -2.02 0.00 0.00 178.31 177.31 3h16 h PHE 231 N 0.03 0.00 -0.00 0.41 0.04 -0.71 -2.66 116.94 114.05 3h16 h PHE 231 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3h16 h PHE 231 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3h16 h PHE 231 CO -0.01 0.00 -0.00 1.63 -0.60 0.00 0.00 178.31 179.33 3h16 n LYS 232 N -2.37 1.03 0.19 1.51 5.02 -0.54 -2.49 118.16 120.51 3h16 n LYS 232 Ca 0.03 -0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.35 3h16 n LYS 232 Cb 0.30 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.98 3h16 n LYS 232 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3h16 h LYS 233 N 0.22 0.00 -5.36 1.97 1.79 -1.54 -3.49 116.57 110.17 3h16 h LYS 233 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3h16 h LYS 233 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3h16 h LYS 233 CO 0.00 0.00 -0.21 0.39 -1.08 0.00 0.00 179.45 178.55 3h16 n GLU 234 N -2.94 -1.73 -3.10 3.15 1.02 -1.04 -4.85 120.64 111.15 3h16 n GLU 234 Ca 0.04 1.73 -0.31 0.00 -0.02 0.00 0.00 57.16 58.59 3h16 n GLU 234 Cb 0.52 -5.67 -0.05 0.00 -0.02 0.00 0.00 31.44 26.22 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 -2.84 3.42 0.14 -0.32 0.52 -1.26 -5.01 118.94 113.58 3h16 s TRP 235 Ca 0.10 1.08 -0.31 0.00 0.02 0.00 0.00 56.10 56.98 3h16 s TRP 235 Cb -0.03 -2.44 -0.09 0.00 -1.15 0.00 0.00 33.47 29.76 3h16 s TRP 235 CO 0.76 0.06 1.56 -1.25 0.02 0.00 0.00 176.95 178.10 3h16 s PRO 236 N -3.28 4.22 0.34 4.98 0.04 -1.26 -4.85 135.00 135.20 3h16 s PRO 236 Ca 0.52 2.31 0.12 0.00 0.04 0.00 0.00 61.00 63.99 3h16 s PRO 236 Cb -0.10 -3.27 0.93 0.00 0.04 0.00 0.00 34.50 32.10 3h16 s PRO 236 CO 0.23 -0.61 1.75 0.37 0.04 0.00 0.00 177.00 178.78 3h16 h GLN 237 N 7.14 0.53 -0.32 4.56 4.15 -1.95 0.34 115.11 129.57 3h16 h GLN 237 Ca -0.42 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.01 3h16 h GLN 237 Cb 1.20 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 3h16 h GLN 237 CO 0.91 0.35 0.04 0.87 -1.93 0.00 0.00 178.83 179.08 3h16 h LYS 238 N 0.55 0.14 -0.77 1.69 6.56 -1.96 -0.97 116.57 121.80 3h16 h LYS 238 Ca 0.62 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 60.21 3h16 h LYS 238 Cb 1.26 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.85 3h16 h LYS 238 CO -0.40 0.09 0.51 1.49 -2.06 0.00 0.00 179.45 179.08 3h16 h GLU 239 N 0.14 1.00 0.00 3.15 4.81 -1.32 0.17 114.58 122.53 3h16 h GLU 239 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3h16 h GLU 239 Cb 0.18 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3h16 h GLU 239 CO -0.22 0.66 0.00 1.28 -0.73 0.00 0.00 179.01 180.00 3h16 n LEU 240 N -4.56 0.09 0.30 1.64 4.77 -0.63 -2.13 117.00 116.47 3h16 n LEU 240 Ca 0.08 0.72 0.18 0.00 -0.03 0.00 0.00 56.01 56.96 3h16 n LEU 240 Cb 0.03 -0.24 0.97 0.00 -2.33 0.00 0.00 43.42 41.85 3h16 n LEU 240 CO 0.35 -0.24 1.09 -2.24 -1.33 0.00 0.00 177.39 175.02 3h16 h ASP 241 N 0.00 0.00 -0.42 -1.43 3.04 -1.29 0.44 116.42 116.76 3h16 h ASP 241 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3h16 h ASP 241 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3h16 h ASP 241 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3h16 n GLY 242 N -1.16 1.77 0.11 7.15 0.00 0.59 -4.00 105.19 109.65 3h16 n GLY 242 Ca -0.02 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.58 3h16 n GLY 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h16 h LEU 243 N 2.64 0.00 -9.47 0.99 5.85 0.43 -3.47 115.31 112.28 3h16 h LEU 243 Ca 0.00 -0.07 -0.58 0.00 0.84 0.00 0.00 57.88 58.07 3h16 h LEU 243 Cb 1.00 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 3h16 h LEU 243 CO 0.14 0.04 -0.67 -0.36 -0.34 0.00 0.00 178.44 177.25 3h16 s PHE 244 N -3.17 2.55 0.00 1.25 2.99 -1.26 -4.88 117.98 115.46 3h16 s PHE 244 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 56.93 56.71 3h16 s PHE 244 Cb 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 43.02 41.93 3h16 s PHE 244 CO 0.67 0.62 0.00 -1.13 -0.00 0.00 0.00 175.22 175.38 3h16 n SER 252 N -0.83 0.00 -0.17 1.36 3.41 -1.26 -5.08 113.62 111.05 3h16 n SER 252 Ca -0.06 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.59 3h16 n SER 252 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 3h16 n SER 252 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h16 n ARG 253 N 0.00 1.67 -3.64 4.33 1.74 -1.26 -4.92 116.66 114.58 3h16 n ARG 253 Ca 0.00 -0.58 -0.40 0.00 -0.77 0.00 0.00 57.85 56.10 3h16 n ARG 253 Cb 0.00 -1.00 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.87 4.23 -0.42 0.55 -1.09 -1.26 -0.85 121.20 121.49 3h16 s ILE 254 Ca 0.06 -1.12 -0.17 0.00 -2.23 0.00 0.00 60.65 57.18 3h16 s ILE 254 Cb 0.05 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3h16 s ILE 254 CO 0.13 -0.31 0.45 -0.76 -1.23 0.00 0.00 174.94 173.22 3h16 s LEU 255 N 1.47 4.85 0.26 2.97 1.43 0.25 -4.95 118.68 124.95 3h16 s LEU 255 Ca 0.01 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 3h16 s LEU 255 Cb -0.21 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 3h16 s LEU 255 CO 0.04 -0.59 0.83 -2.84 0.23 0.00 0.00 176.35 174.02 3h16 s PRO 256 N 2.16 4.44 -0.09 1.29 0.02 -1.26 -1.64 135.00 139.92 3h16 s PRO 256 Ca 0.12 1.11 -0.01 0.00 0.02 0.00 0.00 61.00 62.24 3h16 s PRO 256 Cb -0.17 -2.90 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3h16 s PRO 256 CO 0.14 0.37 -0.04 0.42 -0.33 0.00 0.00 177.00 177.56 3h16 s ILE 257 N -1.51 0.71 -0.25 2.83 1.01 -0.54 -1.40 121.20 122.05 3h16 s ILE 257 Ca 0.45 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 3h16 s ILE 257 Cb -0.18 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 3h16 s ILE 257 CO 0.23 0.32 0.85 0.26 0.00 0.00 0.00 174.94 176.59 3h16 s TRP 258 N 1.83 3.30 -0.28 3.97 0.52 -0.31 -0.73 118.94 127.24 3h16 s TRP 258 Ca 0.05 1.13 0.01 0.00 0.02 0.00 0.00 56.10 57.31 3h16 s TRP 258 Cb -0.12 -3.09 0.06 0.00 -1.15 0.00 0.00 33.47 29.16 3h16 s TRP 258 CO -0.07 -0.43 -0.06 -1.58 0.02 0.00 0.00 176.95 174.84 3h16 s HIS 259 N 2.89 3.31 -1.47 -1.98 2.46 -0.43 -1.43 115.29 118.63 3h16 s HIS 259 Ca 0.35 -2.23 -0.05 0.00 0.47 0.00 0.00 55.06 53.61 3h16 s HIS 259 Cb -0.15 -2.08 0.04 0.00 -0.13 0.00 0.00 32.58 30.26 3h16 s HIS 259 CO 0.08 -0.86 0.56 1.63 -2.47 0.00 0.00 174.74 173.68 3h16 n LYS 260 N 4.48 -3.58 -4.19 2.88 5.02 -1.26 -4.33 118.16 117.19 3h16 n LYS 260 Ca -0.12 0.43 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 3h16 n LYS 260 Cb 0.42 -4.77 -0.11 0.00 -0.02 0.00 0.00 35.03 30.55 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 -3.75 1.07 0.29 -0.18 -7.23 -1.26 -4.69 120.40 104.65 3h16 s VAL 261 Ca 0.21 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3h16 s VAL 261 Cb -0.11 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3h16 s VAL 261 CO 0.89 -0.46 0.43 -0.94 -0.31 0.00 0.00 175.10 174.70 3h16 s SER 262 N -2.32 6.15 0.35 4.85 1.04 -1.26 -5.00 113.70 117.51 3h16 s SER 262 Ca 0.05 -0.01 0.09 0.00 0.48 0.00 0.00 55.95 56.56 3h16 s SER 262 Cb -0.05 -1.60 0.63 0.00 0.10 0.00 0.00 66.02 65.11 3h16 s SER 262 CO 0.01 -0.26 1.81 0.50 0.98 0.00 0.00 173.24 176.28 3h16 h LYS 263 N 1.00 0.20 -0.04 4.02 3.64 -2.00 -1.62 116.57 121.78 3h16 h LYS 263 Ca -0.49 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.70 3h16 h LYS 263 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3h16 h LYS 263 CO 0.57 0.48 -0.53 -0.44 -2.27 0.00 0.00 179.45 177.26 3h16 h ASP 264 N 0.18 0.13 -0.04 4.20 3.45 -1.97 -1.21 116.42 121.17 3h16 h ASP 264 Ca 0.03 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 3h16 h ASP 264 Cb 0.60 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3h16 h ASP 264 CO 0.04 0.63 -0.02 -0.08 -1.57 0.00 0.00 179.24 178.24 3h16 h GLU 265 N 0.09 0.09 0.15 3.56 4.81 -1.72 -2.27 114.58 119.29 3h16 h GLU 265 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3h16 h GLU 265 Cb 0.96 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3h16 h GLU 265 CO 0.07 0.50 -0.07 0.28 -0.73 0.00 0.00 179.01 179.06 3h16 h VAL 266 N -0.33 0.89 -0.84 0.32 2.07 -1.32 -2.97 116.25 114.06 3h16 h VAL 266 Ca 0.01 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.58 3h16 h VAL 266 Cb 0.48 0.99 -0.13 0.00 -1.52 0.00 0.00 31.29 31.11 3h16 h VAL 266 CO 0.01 0.04 0.22 0.00 0.02 0.00 0.00 177.57 177.86 3h16 h ALA 267 N 0.56 1.19 0.00 1.67 0.00 -1.22 0.30 119.26 121.76 3h16 h ALA 267 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h16 h ALA 267 Cb 0.22 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h16 h ALA 267 CO 0.03 -0.42 0.05 -1.13 0.00 0.00 0.00 179.25 177.79 3h16 n SER 268 N -5.20 0.48 -0.06 0.00 3.41 -0.86 -1.25 113.62 110.15 3h16 n SER 268 Ca 0.19 0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 59.44 3h16 n SER 268 Cb 0.61 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.15 0.00 -3.14 7.33 3.01 0.87 -4.97 117.46 118.41 3h16 n PHE 269 Ca -0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 3h16 n PHE 269 Cb 0.08 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3h16 n PHE 269 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h16 s SER 270 N -4.62 -1.18 0.53 4.37 0.15 -0.02 -4.86 113.70 108.07 3h16 s SER 270 Ca -0.09 0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.78 3h16 s SER 270 Cb 0.04 1.71 1.34 0.00 -1.71 0.00 0.00 66.02 67.39 3h16 s SER 270 CO 0.44 -0.20 2.10 -0.65 1.20 0.00 0.00 173.24 176.12 3h16 h PRO 271 N 7.52 0.00 0.23 5.44 0.11 -1.70 0.25 132.00 143.85 3h16 h PRO 271 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3h16 h PRO 271 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h16 h PRO 271 CO 0.06 0.00 -0.11 1.15 -0.21 0.00 0.00 178.00 178.89 3h16 h THR 272 N 0.00 0.84 0.00 -1.15 2.02 -1.94 -2.56 112.91 110.12 3h16 h THR 272 Ca 0.08 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3h16 h THR 272 Cb 0.34 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3h16 h THR 272 CO -0.00 0.10 -0.06 -0.03 0.37 0.00 0.00 175.52 175.90 3h16 h MET 273 N -0.55 0.00 0.00 6.66 1.85 -1.67 -2.37 114.93 118.85 3h16 h MET 273 Ca -0.03 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3h16 h MET 273 Cb 0.40 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 3h16 h MET 273 CO 0.05 0.06 -0.19 0.00 -0.40 0.00 0.00 176.91 176.43 3h16 h ALA 274 N 1.94 0.88 0.00 0.39 0.00 -0.72 -3.31 119.26 118.44 3h16 h ALA 274 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h16 h ALA 274 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h16 h ALA 274 CO 0.01 0.24 -1.16 -0.25 0.00 0.00 0.00 179.25 178.09 3h16 n ASP 275 N -3.15 0.80 -4.71 0.00 9.92 -0.91 -4.92 116.55 113.58 3h16 n ASP 275 Ca 0.03 -0.76 -0.42 0.00 -0.53 0.00 0.00 54.79 53.11 3h16 n ASP 275 Cb 0.60 1.20 -0.03 0.00 -0.64 0.00 0.00 41.12 42.25 3h16 n ASP 275 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3h16 s LYS 276 N -3.00 4.55 0.33 -1.24 1.02 -1.12 -5.00 119.74 115.29 3h16 s LYS 276 Ca 0.04 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.10 3h16 s LYS 276 Cb 0.15 -3.45 -0.12 0.00 -0.52 0.00 0.00 37.83 33.89 3h16 s LYS 276 CO 0.83 -0.01 1.45 -0.11 -0.92 0.00 0.00 175.35 176.58 3h16 n LEU 277 N 3.79 4.16 -3.67 3.17 7.94 -1.26 -5.00 117.00 126.13 3h16 n LEU 277 Ca 0.05 1.20 -0.10 0.00 -1.11 0.00 0.00 56.01 56.05 3h16 n LEU 277 Cb 0.51 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 3h16 n LEU 277 CO 0.51 -0.09 0.38 0.00 -1.11 0.00 0.00 177.39 177.08 3h16 s ALA 278 N -0.75 -1.26 0.81 1.96 0.00 -1.26 -4.93 121.76 116.33 3h16 s ALA 278 Ca 0.58 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 3h16 s ALA 278 Cb -0.52 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.54 3h16 s ALA 278 CO 0.58 -0.87 1.12 -0.06 0.00 0.00 0.00 175.76 176.53 3h16 s PHE 279 N -3.85 2.25 -0.24 0.00 0.08 -0.49 -4.88 117.98 110.86 3h16 s PHE 279 Ca 0.07 1.63 -0.10 0.00 0.12 0.00 0.00 56.93 58.66 3h16 s PHE 279 Cb -0.03 -3.17 0.10 0.00 -0.57 0.00 0.00 43.02 39.35 3h16 s PHE 279 CO -0.03 -2.15 0.52 1.21 -0.10 0.00 0.00 175.22 174.68 3h16 s ASN 280 N -3.04 -0.66 0.00 1.36 2.47 -1.26 -1.16 114.94 112.65 3h16 s ASN 280 Ca 0.64 1.22 0.11 0.00 0.42 0.00 0.00 52.86 55.25 3h16 s ASN 280 Cb -0.20 1.54 0.63 0.00 -1.45 0.00 0.00 41.25 41.77 3h16 s ASN 280 CO 0.55 -0.22 1.14 0.35 -3.72 0.00 0.00 177.10 175.20 3h16 n THR 281 N 5.06 0.00 0.01 -5.21 -2.24 -0.52 -2.71 114.28 108.68 3h16 n THR 281 Ca -0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 3h16 n THR 281 Cb 0.52 -0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 3h16 n THR 281 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3h16 h SER 282 N 0.00 0.40 -0.10 3.42 0.87 -1.96 -3.37 113.55 112.81 3h16 h SER 282 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 3h16 h SER 282 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3h16 h SER 282 CO 0.00 1.78 0.00 0.35 -0.53 0.00 0.00 176.83 178.43 3h16 n THR 283 N -3.45 0.10 -3.67 2.23 -2.24 -1.15 -4.93 114.28 101.16 3h16 n THR 283 Ca -0.30 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 3h16 n THR 283 Cb 1.05 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 70.38 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 -1.90 0.76 0.59 -0.78 1.02 -1.10 -5.05 119.74 113.27 3h16 s LYS 284 Ca 0.32 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.38 3h16 s LYS 284 Cb 0.21 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.84 3h16 s LYS 284 CO 0.31 -0.20 0.96 -1.54 -0.92 0.00 0.00 175.35 173.96 3h16 s SER 285 N -0.88 6.16 0.16 2.83 1.04 -1.26 -4.29 113.70 117.45 3h16 s SER 285 Ca -0.09 1.24 -0.17 0.00 0.48 0.00 0.00 55.95 57.41 3h16 s SER 285 Cb -0.03 -2.34 0.08 0.00 0.10 0.00 0.00 66.02 63.82 3h16 s SER 285 CO 0.05 -0.83 1.70 0.58 0.98 0.00 0.00 173.24 175.72 3h16 h VAL 286 N -0.19 0.73 -0.89 5.02 2.07 -1.97 0.22 116.25 121.24 3h16 h VAL 286 Ca -0.45 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.17 3h16 h VAL 286 Cb 1.20 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 3h16 h VAL 286 CO 0.62 0.02 0.57 0.44 0.02 0.00 0.00 177.57 179.24 3h16 h ASP 287 N 0.09 0.69 -0.14 0.57 3.32 -1.98 0.30 116.42 119.26 3h16 h ASP 287 Ca 0.17 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3h16 h ASP 287 Cb 0.24 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h16 h ASP 287 CO -0.30 0.36 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.17 3h16 h GLU 288 N 0.73 0.30 -1.00 3.56 5.08 -1.51 -1.14 114.58 120.61 3h16 h GLU 288 Ca 0.44 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3h16 h GLU 288 Cb 0.65 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3h16 h GLU 288 CO -0.20 0.65 0.66 0.82 -1.00 0.00 0.00 179.01 179.94 3h16 h ILE 289 N -0.04 1.25 -0.42 3.13 2.04 0.22 -2.18 117.51 121.50 3h16 h ILE 289 Ca 0.03 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3h16 h ILE 289 Cb 0.56 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3h16 h ILE 289 CO 0.02 0.24 0.04 0.58 0.00 0.00 0.00 178.15 179.04 3h16 h VAL 290 N 1.34 1.25 -0.32 1.67 2.07 -0.39 -0.66 116.25 121.21 3h16 h VAL 290 Ca 0.37 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3h16 h VAL 290 Cb -0.14 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3h16 h VAL 290 CO -0.08 0.32 -0.04 0.00 0.02 0.00 0.00 177.57 177.79 3h16 h ALA 291 N 0.92 0.25 -0.60 1.67 0.00 -0.72 0.06 119.26 120.84 3h16 h ALA 291 Ca 0.12 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h16 h ALA 291 Cb 0.41 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3h16 h ALA 291 CO 0.01 -0.43 0.34 -0.44 0.00 0.00 0.00 179.25 178.73 3h16 h ASP 292 N 0.05 0.74 -0.88 0.00 3.45 -1.24 -2.57 116.42 115.97 3h16 h ASP 292 Ca 0.15 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.58 3h16 h ASP 292 Cb 0.22 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.75 3h16 h ASP 292 CO -0.29 0.61 0.55 -0.07 -1.57 0.00 0.00 179.24 178.47 3h16 h LEU 293 N 0.81 0.89 -1.13 1.55 3.38 -0.28 -0.72 115.31 119.82 3h16 h LEU 293 Ca 0.21 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3h16 h LEU 293 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3h16 h LEU 293 CO -0.04 0.58 -0.20 0.24 0.09 0.00 0.00 178.44 179.11 3h16 h MET 294 N 1.03 0.37 -0.45 1.13 2.86 -0.74 -0.95 114.93 118.17 3h16 h MET 294 Ca 0.37 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 3h16 h MET 294 Cb 0.12 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3h16 h MET 294 CO -0.16 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.38 3h16 h ALA 295 N 1.46 1.16 0.01 6.32 0.00 -0.79 -1.92 119.26 125.51 3h16 h ALA 295 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h16 h ALA 295 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h16 h ALA 295 CO 0.04 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.64 3h16 h ILE 296 N 0.69 1.36 0.00 0.00 2.04 -0.57 -3.34 117.51 117.69 3h16 h ILE 296 Ca 0.14 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3h16 h ILE 296 Cb 0.42 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3h16 h ILE 296 CO 0.02 0.29 0.00 -0.38 0.00 0.00 0.00 178.15 178.08 3h16 n ILE 297 N -4.86 0.00 0.00 -0.67 5.41 -0.43 -5.11 119.36 113.70 3h16 n ILE 297 Ca -0.08 1.46 0.00 0.00 1.00 0.00 0.00 62.75 65.13 3h16 n ILE 297 Cb 0.25 -2.31 0.00 0.00 -0.71 0.00 0.00 39.64 36.87 3h16 n ILE 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09