#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gry h ILE 170 N 0.00 1.27 -0.76 -3.67 2.04 -2.02 -2.82 117.51 111.54 2gry h ILE 170 Ca 0.00 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 2gry h ILE 170 Cb 0.00 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2gry h ILE 170 CO 0.00 0.45 0.28 -0.03 0.00 0.00 0.00 178.15 178.85 2gry h MET 171 N 0.85 1.16 -0.22 2.37 4.05 -2.00 -2.28 114.93 118.85 2gry h MET 171 Ca 0.13 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 2gry h MET 171 Cb 0.69 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 2gry h MET 171 CO 0.05 0.96 0.01 0.00 0.23 0.00 0.00 176.91 178.16 2gry h MET 173 N 0.17 0.17 0.00 0.00 -1.53 -1.37 0.39 114.93 112.77 2gry h MET 173 Ca 0.07 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.31 2gry h MET 173 Cb 0.37 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 2gry h MET 173 CO 0.01 0.11 -0.00 0.82 0.14 0.00 0.00 176.91 177.99 2gry h ILE 174 N 0.18 1.62 -0.98 1.77 2.04 -1.00 -3.15 117.51 117.99 2gry h ILE 174 Ca 0.34 -2.11 0.08 0.00 1.00 0.00 0.00 64.86 64.17 2gry h ILE 174 Cb 1.08 3.01 -0.07 0.00 -0.74 0.00 0.00 36.82 40.10 2gry h ILE 174 CO -0.06 0.53 0.63 -0.09 0.00 0.00 0.00 178.15 179.16 2gry h ARG 175 N -0.94 1.06 0.00 2.37 2.43 -0.80 -1.17 114.38 117.33 2gry h ARG 175 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2gry h ARG 175 Cb 0.87 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2gry h ARG 175 CO 0.00 0.70 0.00 -0.44 -1.51 0.00 0.00 179.97 178.72 2gry h ASP 176 N 1.09 0.00 0.04 -3.80 3.32 -0.31 -1.76 116.42 114.99 2gry h ASP 176 Ca 0.44 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.12 2gry h ASP 176 Cb 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 2gry h ASP 176 CO -0.20 0.00 -2.17 0.33 -1.72 0.00 0.00 179.24 175.48 2gry n PHE 177 N -2.82 0.54 -0.34 4.55 7.35 -0.72 -4.17 117.46 121.85 2gry n PHE 177 Ca 0.00 0.15 0.01 0.00 -0.76 0.00 0.00 57.45 56.85 2gry n PHE 177 Cb 0.24 -1.07 0.15 0.00 0.35 0.00 0.00 39.48 39.15 2gry n PHE 177 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gry h ARG 178 N -0.31 1.08 0.00 -4.13 3.08 -1.23 -2.61 114.38 110.26 2gry h ARG 178 Ca -0.52 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2gry h ARG 178 Cb 1.80 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2gry h ARG 178 CO -0.12 0.71 0.11 0.78 -1.07 0.00 0.00 179.97 180.38 2gry h GLY 179 N 1.11 0.00 0.63 0.04 0.00 -1.48 -0.21 103.07 103.17 2gry h GLY 179 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2gry h GLY 179 CO -0.15 0.00 -0.79 1.44 0.00 0.00 0.00 176.54 177.04 2gry n SER 180 N -2.69 0.66 -4.78 0.19 7.64 -0.98 -4.97 113.62 108.68 2gry n SER 180 Ca -0.02 -0.41 -0.37 0.00 1.01 0.00 0.00 58.87 59.08 2gry n SER 180 Cb 0.15 0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.89 2gry n SER 180 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2gry s LEU 181 N -3.31 4.29 -0.61 -3.43 1.43 -0.09 -5.03 118.68 111.93 2gry s LEU 181 Ca 0.08 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 2gry s LEU 181 Cb 0.16 -4.07 0.10 0.00 0.03 0.00 0.00 46.19 42.42 2gry s LEU 181 CO 0.77 -0.13 0.73 -0.62 0.23 0.00 0.00 176.35 177.34 2gry s ASP 182 N -1.65 6.20 -0.45 2.29 2.15 -1.26 -5.03 116.67 118.92 2gry s ASP 182 Ca 0.52 -1.45 -0.28 0.00 0.43 0.00 0.00 52.55 51.77 2gry s ASP 182 Cb -0.18 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2gry s ASP 182 CO 0.23 -1.13 1.48 -0.31 -0.17 0.00 0.00 175.17 175.28 2gry s TYR 183 N 2.72 2.27 -0.53 -5.34 1.51 -1.26 -4.69 117.35 112.03 2gry s TYR 183 Ca 0.13 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.88 2gry s TYR 183 Cb -0.23 -4.30 0.30 0.00 -0.11 0.00 0.00 41.96 37.62 2gry s TYR 183 CO 0.06 -2.11 0.78 0.54 -1.11 0.00 0.00 175.55 173.70 2gry n ARG 184 N 8.31 2.20 -1.00 -0.62 1.74 0.23 -5.01 116.66 122.51 2gry n ARG 184 Ca 0.16 -4.27 -0.29 0.00 -0.77 0.00 0.00 57.85 52.69 2gry n ARG 184 Cb 0.48 -1.98 0.20 0.00 -1.02 0.00 0.00 32.46 30.14 2gry n ARG 184 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2gry s PRO 185 N -2.59 0.08 0.70 5.56 0.04 -1.26 -3.26 135.00 134.27 2gry s PRO 185 Ca 0.42 0.62 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 2gry s PRO 185 Cb 0.23 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 33.12 2gry s PRO 185 CO -0.08 -2.99 1.05 -1.17 0.04 0.00 0.00 177.00 173.84 2gry s LEU 186 N -6.66 2.89 0.00 -3.56 2.96 -1.26 -4.77 118.68 108.28 2gry s LEU 186 Ca 0.66 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 2gry s LEU 186 Cb -0.20 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2gry s LEU 186 CO 0.59 -1.43 0.00 -2.65 -1.32 0.00 0.00 176.35 171.54 2gry n PRO 191 N -2.95 0.00 -3.12 0.98 -0.02 -1.26 -5.10 135.00 123.53 2gry n PRO 191 Ca 0.07 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 2gry n PRO 191 Cb 0.59 -1.11 -0.06 0.00 -0.02 0.00 0.00 33.50 32.90 2gry n PRO 191 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2gry s ILE 192 N -0.41 5.00 0.23 4.25 1.01 -1.26 -5.06 121.20 124.96 2gry s ILE 192 Ca 0.00 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.64 2gry s ILE 192 Cb 0.00 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 2gry s ILE 192 CO 0.00 0.06 0.62 -1.81 0.00 0.00 0.00 174.94 173.81 2gry s ASP 193 N 1.38 6.77 -0.25 3.58 1.01 -1.26 -5.06 116.67 122.84 2gry s ASP 193 Ca 0.27 1.11 -0.20 0.00 0.71 0.00 0.00 52.55 54.44 2gry s ASP 193 Cb -0.16 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 2gry s ASP 193 CO 0.09 -0.04 0.61 -1.83 0.21 0.00 0.00 175.17 174.21 2gry s GLU 194 N -2.50 4.11 -0.04 8.23 -1.05 -1.26 -5.06 118.70 121.13 2gry s GLU 194 Ca 0.46 0.51 0.04 0.00 -0.15 0.00 0.00 54.97 55.83 2gry s GLU 194 Cb -0.13 -3.64 -0.00 0.00 -0.44 0.00 0.00 34.13 29.92 2gry s GLU 194 CO 0.20 -0.38 -0.15 -1.01 0.95 0.00 0.00 175.26 174.86 2gry s HIS 195 N 2.41 1.59 0.21 4.83 3.76 -1.26 -5.02 115.29 121.80 2gry s HIS 195 Ca 0.25 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.62 2gry s HIS 195 Cb -0.16 -1.08 0.14 0.00 1.11 0.00 0.00 32.58 32.59 2gry s HIS 195 CO 0.09 -0.17 1.76 -0.09 -0.85 0.00 0.00 174.74 175.47 2gry h ARG 196 N 6.36 1.17 -4.93 1.40 2.43 -1.94 -3.40 114.38 115.47 2gry h ARG 196 Ca -0.32 -0.23 -0.66 0.00 -0.81 0.00 0.00 59.98 57.96 2gry h ARG 196 Cb 1.18 -0.18 -0.36 0.00 -0.42 0.00 0.00 29.97 30.19 2gry h ARG 196 CO 0.48 0.97 -0.83 0.42 -1.51 0.00 0.00 179.97 179.49 2gry s ILE 197 N -5.49 2.02 -0.24 1.20 1.01 -1.26 -0.72 121.20 117.73 2gry s ILE 197 Ca -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 2gry s ILE 197 Cb 0.15 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2gry s ILE 197 CO 0.84 0.32 -0.02 0.00 0.00 0.00 0.00 174.94 176.08 2gry s VAL 199 N 1.46 2.96 0.14 0.00 1.01 -1.26 -0.26 120.40 124.44 2gry s VAL 199 Ca 0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 2gry s VAL 199 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2gry s VAL 199 CO -0.02 0.53 0.13 0.00 0.00 0.00 0.00 175.10 175.73 2gry s VAL 201 N -4.01 1.90 -0.12 0.00 1.01 -0.94 -0.57 120.40 117.67 2gry s VAL 201 Ca 0.20 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2gry s VAL 201 Cb 0.06 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.84 2gry s VAL 201 CO 0.00 0.27 0.00 -0.60 0.00 0.00 0.00 175.10 174.78 2gry s ARG 202 N -1.23 0.74 0.04 2.72 3.52 0.59 -0.38 118.95 124.96 2gry s ARG 202 Ca 0.10 -0.14 -0.25 0.00 -0.13 0.00 0.00 55.73 55.31 2gry s ARG 202 Cb -0.09 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.77 2gry s ARG 202 CO 0.02 -0.42 0.77 0.21 -0.81 0.00 0.00 175.30 175.06 2gry s LYS 203 N 1.89 4.50 0.20 5.12 2.20 -0.67 -1.00 119.74 131.97 2gry s LYS 203 Ca 0.03 1.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.72 2gry s LYS 203 Cb -0.14 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2gry s LYS 203 CO -0.07 0.28 0.36 -0.98 -0.36 0.00 0.00 175.35 174.58 2gry s ARG 204 N -0.05 3.47 0.76 4.03 1.70 -0.68 -3.44 118.95 124.74 2gry s ARG 204 Ca 0.39 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 55.04 2gry s ARG 204 Cb -0.20 -2.88 0.05 0.00 -0.57 0.00 0.00 34.95 31.34 2gry s ARG 204 CO 0.23 0.43 1.08 -1.25 -1.08 0.00 0.00 175.30 174.72 2gry s PRO 205 N -3.45 2.35 0.22 3.89 0.04 -1.26 -4.18 135.00 132.61 2gry s PRO 205 Ca 0.36 1.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.12 2gry s PRO 205 Cb -0.11 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 2gry s PRO 205 CO 0.29 -1.54 1.66 1.28 0.04 0.00 0.00 177.00 178.74 2gry n LEU 206 N -3.43 3.91 -4.88 -3.56 4.77 -1.26 -4.84 117.00 107.71 2gry n LEU 206 Ca 0.08 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.86 2gry n LEU 206 Cb 0.54 -1.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.22 2gry n LEU 206 CO 0.55 0.07 0.80 0.54 -1.33 0.00 0.00 177.39 178.02 2gry s ASN 207 N 0.93 3.64 0.52 -1.43 2.20 -1.26 -4.77 114.94 114.78 2gry s ASN 207 Ca 0.73 0.62 0.18 0.00 -0.94 0.00 0.00 52.86 53.44 2gry s ASN 207 Cb -0.54 -0.95 1.31 0.00 -2.00 0.00 0.00 41.25 39.08 2gry s ASN 207 CO 0.38 -2.43 2.14 0.07 -2.94 0.00 0.00 177.10 174.31 2gry h LYS 208 N -1.43 0.00 0.10 3.55 5.09 -1.99 0.10 116.57 122.00 2gry h LYS 208 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.27 2gry h LYS 208 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.63 2gry h LYS 208 CO 0.54 0.00 -0.05 1.57 -2.09 0.00 0.00 179.45 179.42 2gry h LYS 209 N 0.00 -0.14 -1.00 0.07 5.09 -1.98 -3.02 116.57 115.59 2gry h LYS 209 Ca 0.03 0.01 0.18 0.00 0.09 0.00 0.00 60.65 60.96 2gry h LYS 209 Cb 0.12 0.03 -0.10 0.00 0.10 0.00 0.00 32.23 32.38 2gry h LYS 209 CO -0.00 0.35 0.62 0.93 -2.09 0.00 0.00 179.45 179.25 2gry h GLU 210 N -0.90 0.75 -0.55 0.07 5.08 -1.83 0.42 114.58 117.63 2gry h GLU 210 Ca -0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2gry h GLU 210 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2gry h GLU 210 CO 0.02 0.49 0.12 1.15 -1.00 0.00 0.00 179.01 179.79 2gry h THR 211 N 0.77 1.25 0.00 1.13 2.02 -0.90 -2.83 112.91 114.36 2gry h THR 211 Ca 0.56 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2gry h THR 211 Cb 0.87 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2gry h THR 211 CO -0.35 0.33 -0.45 0.00 0.37 0.00 0.00 175.52 175.42 2gry n GLN 212 N -4.38 0.15 -0.27 6.66 3.00 -0.97 -3.71 117.38 117.85 2gry n GLN 212 Ca 0.02 0.05 0.03 0.00 -0.01 0.00 0.00 57.00 57.09 2gry n GLN 212 Cb 0.25 -1.60 0.13 0.00 0.00 0.00 0.00 30.24 29.01 2gry n GLN 212 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2gry n MET 213 N -1.83 2.16 0.00 -1.09 2.00 0.15 -4.91 117.12 113.60 2gry n MET 213 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.74 2gry n MET 213 Cb 0.39 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.95 2gry n MET 213 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2gry n LYS 214 N 0.20 0.00 -1.39 0.03 -0.00 -1.20 -4.94 118.16 110.88 2gry n LYS 214 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.02 2gry n LYS 214 Cb 0.50 -3.23 0.04 0.00 -0.00 0.00 0.00 35.03 32.34 2gry n LYS 214 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2gry n ASP 215 N 0.00 -1.70 -4.79 -5.58 4.64 -1.14 -4.98 116.55 103.01 2gry n ASP 215 Ca 0.00 0.69 -0.32 0.00 -1.38 0.00 0.00 54.79 53.78 2gry n ASP 215 Cb 0.00 -1.10 -0.07 0.00 -1.04 0.00 0.00 41.12 38.91 2gry n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2gry s LEU 216 N 1.65 3.89 -0.46 -2.67 1.43 -1.26 -4.81 118.68 116.45 2gry s LEU 216 Ca 0.65 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 2gry s LEU 216 Cb -0.44 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.42 2gry s LEU 216 CO 0.58 0.23 0.59 -0.62 0.23 0.00 0.00 176.35 177.36 2gry s ASP 217 N -2.03 6.26 -0.03 2.29 -1.08 -1.26 -1.58 116.67 119.24 2gry s ASP 217 Ca 0.26 -0.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.87 2gry s ASP 217 Cb -0.12 -2.29 0.64 0.00 -1.46 0.00 0.00 42.92 39.69 2gry s ASP 217 CO 0.18 -0.78 1.54 1.33 0.52 0.00 0.00 175.17 177.96 2gry n VAL 218 N 5.67 1.14 -4.78 1.11 0.24 0.52 -4.93 118.33 117.31 2gry n VAL 218 Ca -0.05 -0.99 -0.27 0.00 -2.04 0.00 0.00 64.34 61.00 2gry n VAL 218 Cb 0.47 0.38 -0.17 0.00 -1.47 0.00 0.00 33.84 33.06 2gry n VAL 218 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2gry s ILE 219 N -1.24 1.40 -0.08 1.34 1.09 -1.26 -1.44 121.20 121.02 2gry s ILE 219 Ca 0.48 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.42 2gry s ILE 219 Cb 0.26 -1.25 0.01 0.00 -1.06 0.00 0.00 42.46 40.42 2gry s ILE 219 CO 0.30 0.41 -0.18 -0.89 -0.10 0.00 0.00 174.94 174.49 2gry s THR 220 N 0.52 1.57 -0.60 2.92 2.01 -0.41 -5.00 115.64 116.65 2gry s THR 220 Ca -0.15 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 2gry s THR 220 Cb -0.16 -1.38 0.16 0.00 0.01 0.00 0.00 72.50 71.12 2gry s THR 220 CO 0.05 0.45 0.44 -0.63 -0.69 0.00 0.00 174.62 174.25 2gry s ILE 221 N 0.48 4.07 -1.52 1.82 1.01 -1.26 -0.42 121.20 125.38 2gry s ILE 221 Ca -0.16 -2.53 0.27 0.00 0.00 0.00 0.00 60.65 58.23 2gry s ILE 221 Cb -0.17 -3.64 0.26 0.00 0.01 0.00 0.00 42.46 38.93 2gry s ILE 221 CO 0.06 -0.86 1.64 -0.81 0.00 0.00 0.00 174.94 174.97 2gry n PRO 222 N 3.99 0.57 -4.01 2.79 -0.04 -1.26 -4.78 135.00 132.26 2gry n PRO 222 Ca 0.04 -0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.12 2gry n PRO 222 Cb 0.40 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 2gry n PRO 222 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gry s SER 223 N -2.63 0.01 0.13 3.54 0.15 -1.26 0.77 113.70 114.42 2gry s SER 223 Ca 0.22 -0.98 0.16 0.00 0.70 0.00 0.00 55.95 56.06 2gry s SER 223 Cb 0.19 0.48 0.72 0.00 -1.71 0.00 0.00 66.02 65.70 2gry s SER 223 CO 0.55 -0.97 1.50 2.29 1.20 0.00 0.00 173.24 177.80 2gry n LYS 224 N -0.28 0.08 0.00 5.44 0.00 -1.20 -3.87 118.16 118.32 2gry n LYS 224 Ca -0.04 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2gry n LYS 224 Cb 0.63 -1.69 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 2gry n LYS 224 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2gry n ASP 225 N -1.85 0.36 -4.43 -5.58 2.03 -1.26 -0.64 116.55 105.18 2gry n ASP 225 Ca 0.02 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.00 2gry n ASP 225 Cb 0.14 0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.45 2gry n ASP 225 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2gry s VAL 226 N -0.92 3.03 -0.18 5.18 1.01 -1.25 -1.86 120.40 125.41 2gry s VAL 226 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2gry s VAL 226 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2gry s VAL 226 CO 0.00 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 2gry s VAL 227 N -0.26 3.17 -0.19 2.92 1.01 0.09 -4.06 120.40 123.07 2gry s VAL 227 Ca 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2gry s VAL 227 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2gry s VAL 227 CO 0.03 0.47 0.00 -0.04 0.00 0.00 0.00 175.10 175.57 2gry s MET 228 N 1.00 3.67 -0.26 2.72 -1.94 0.44 0.16 119.30 125.09 2gry s MET 228 Ca -0.01 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.39 2gry s MET 228 Cb -0.15 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 2gry s MET 228 CO -0.01 0.08 0.12 0.08 -0.01 0.00 0.00 175.02 175.27 2gry s VAL 229 N 0.84 4.70 -0.54 -6.03 1.01 0.13 -1.28 120.40 119.23 2gry s VAL 229 Ca 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2gry s VAL 229 Cb -0.14 -3.21 0.15 0.00 0.00 0.00 0.00 36.38 33.17 2gry s VAL 229 CO 0.02 0.31 0.33 -1.38 0.00 0.00 0.00 175.10 174.38 2gry s HIS 230 N 1.64 2.68 -0.16 5.22 -3.43 -0.52 -0.44 115.29 120.28 2gry s HIS 230 Ca 0.07 -2.89 -0.29 0.00 -0.80 0.00 0.00 55.06 51.15 2gry s HIS 230 Cb -0.15 -2.27 -0.01 0.00 -1.43 0.00 0.00 32.58 28.72 2gry s HIS 230 CO 0.06 -0.71 1.11 -2.00 -2.00 0.00 0.00 174.74 171.21 2gry s GLU 231 N -0.39 4.31 0.22 -0.38 2.12 -0.60 -4.72 118.70 119.25 2gry s GLU 231 Ca 0.21 1.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2gry s GLU 231 Cb -0.16 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.51 2gry s GLU 231 CO -0.07 -0.55 1.30 -2.14 -0.54 0.00 0.00 175.26 173.27 2gry s PRO 232 N 2.84 4.39 0.14 4.30 0.02 -1.26 -0.26 135.00 145.17 2gry s PRO 232 Ca 0.49 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.60 2gry s PRO 232 Cb -0.19 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 2gry s PRO 232 CO 0.13 -0.23 -0.03 0.15 -0.33 0.00 0.00 177.00 176.69 2gry s LYS 233 N -0.33 0.97 -0.02 5.54 -0.14 -0.64 -4.92 119.74 120.20 2gry s LYS 233 Ca 0.55 -1.43 0.01 0.00 -1.36 0.00 0.00 55.97 53.74 2gry s LYS 233 Cb -0.37 -0.23 0.01 0.00 -1.68 0.00 0.00 37.83 35.56 2gry s LYS 233 CO 0.40 -0.07 -0.03 -1.14 -0.76 0.00 0.00 175.35 173.75 2gry s GLN 234 N -3.88 0.40 0.86 1.68 0.74 -1.26 -2.16 119.66 116.04 2gry s GLN 234 Ca 0.18 -0.06 -0.13 0.00 0.05 0.00 0.00 55.36 55.41 2gry s GLN 234 Cb 0.06 -0.46 0.13 0.00 1.10 0.00 0.00 33.01 33.83 2gry s GLN 234 CO -0.00 -0.02 1.22 0.15 -0.55 0.00 0.00 175.29 176.08 2gry s LYS 235 N 0.47 1.46 0.51 1.67 1.02 0.32 -4.95 119.74 120.25 2gry s LYS 235 Ca -0.05 -0.16 0.30 0.00 0.02 0.00 0.00 55.97 56.08 2gry s LYS 235 Cb -0.08 -1.94 1.22 0.00 -0.52 0.00 0.00 37.83 36.50 2gry s LYS 235 CO -0.01 -1.88 1.94 -0.24 -0.92 0.00 0.00 175.35 174.24 2gry h VAL 236 N -1.23 0.26 -0.06 3.17 3.04 -2.02 -1.98 116.25 117.43 2gry h VAL 236 Ca -0.45 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2gry h VAL 236 Cb 1.29 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 2gry h VAL 236 CO 0.54 0.09 0.00 -0.90 -1.01 0.00 0.00 177.57 176.29 2gry n ASP 237 N -3.25 1.45 0.00 3.17 5.68 -1.26 -4.92 116.55 117.42 2gry n ASP 237 Ca 0.00 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 2gry n ASP 237 Cb 0.34 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2gry n ASP 237 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gry n LEU 238 N 0.14 0.00 -4.68 -2.12 4.77 -0.74 -5.03 117.00 109.33 2gry n LEU 238 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 2gry n LEU 238 Cb 0.33 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2gry n LEU 238 CO 0.15 0.00 1.31 -0.89 -1.33 0.00 0.00 177.39 176.63 2gry s THR 239 N -2.66 3.26 0.04 -5.08 2.01 -1.26 -4.72 115.64 107.22 2gry s THR 239 Ca 0.00 0.62 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 2gry s THR 239 Cb 0.00 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2gry s THR 239 CO 0.00 -0.01 0.32 -0.13 -0.69 0.00 0.00 174.62 174.10 2gry s ARG 240 N 2.94 3.65 0.21 4.92 0.52 -1.26 -0.52 118.95 129.40 2gry s ARG 240 Ca 0.73 0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.83 2gry s ARG 240 Cb -0.37 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2gry s ARG 240 CO 0.31 0.61 0.41 1.52 0.02 0.00 0.00 175.30 178.18 2gry s TYR 241 N -1.34 0.28 -0.16 -0.53 1.13 -0.92 -5.01 117.35 110.80 2gry s TYR 241 Ca 0.30 -0.63 -0.06 0.00 -1.41 0.00 0.00 57.07 55.26 2gry s TYR 241 Cb -0.13 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2gry s TYR 241 CO 0.17 -0.87 0.04 -0.51 -2.51 0.00 0.00 175.55 171.87 2gry s LEU 242 N -2.97 3.70 -0.59 -3.49 1.43 -1.26 -1.62 118.68 113.89 2gry s LEU 242 Ca 0.18 0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 2gry s LEU 242 Cb 0.01 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.38 2gry s LEU 242 CO 0.03 0.21 0.82 -0.70 0.23 0.00 0.00 176.35 176.93 2gry s GLU 243 N 0.17 3.14 -0.33 1.70 2.12 0.65 -4.90 118.70 121.24 2gry s GLU 243 Ca 0.03 -0.86 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 2gry s GLU 243 Cb -0.13 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.07 2gry s GLU 243 CO 0.01 -1.55 0.23 1.21 -0.54 0.00 0.00 175.26 174.62 2gry s ASN 244 N 3.29 6.03 -0.13 -1.70 3.84 -1.26 -1.55 114.94 123.45 2gry s ASN 244 Ca 0.19 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.91 2gry s ASN 244 Cb -0.18 -2.13 0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2gry s ASN 244 CO 0.11 -0.21 -0.19 -1.10 -2.79 0.00 0.00 177.10 172.92 2gry s GLN 245 N 1.72 2.69 -0.11 0.43 -0.21 0.42 -4.99 119.66 119.61 2gry s GLN 245 Ca 0.06 -0.73 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 2gry s GLN 245 Cb -0.17 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 2gry s GLN 245 CO 0.10 -0.05 -0.03 -0.08 -2.12 0.00 0.00 175.29 173.11 2gry s THR 246 N 0.93 3.97 0.02 -0.19 -1.32 -1.26 0.19 115.64 117.98 2gry s THR 246 Ca -0.06 -0.36 0.08 0.00 -1.21 0.00 0.00 61.69 60.14 2gry s THR 246 Cb -0.15 -2.69 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 2gry s THR 246 CO -0.03 0.55 -0.23 -0.36 -2.21 0.00 0.00 174.62 172.35 2gry s PHE 247 N -0.32 1.99 -0.14 9.09 0.40 0.12 -4.99 117.98 124.13 2gry s PHE 247 Ca 0.06 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2gry s PHE 247 Cb -0.12 -1.22 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 2gry s PHE 247 CO 0.02 0.06 -0.12 0.50 0.70 0.00 0.00 175.22 176.38 2gry s ARG 248 N -0.97 3.39 0.42 0.44 3.52 -1.26 -0.73 118.95 123.76 2gry s ARG 248 Ca 0.09 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 2gry s ARG 248 Cb -0.09 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 2gry s ARG 248 CO 0.01 0.19 0.08 1.19 -0.81 0.00 0.00 175.30 175.96 2gry n PHE 249 N 3.59 0.55 -0.16 5.12 3.72 -0.78 -4.99 117.46 124.52 2gry n PHE 249 Ca -0.18 -2.38 -0.08 0.00 -0.05 0.00 0.00 57.45 54.76 2gry n PHE 249 Cb 0.53 -0.14 0.06 0.00 -0.94 0.00 0.00 39.48 38.99 2gry n PHE 249 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2gry h ASP 250 N 1.34 0.95 -5.07 4.37 3.32 -1.63 -3.45 116.42 116.25 2gry h ASP 250 Ca -0.34 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.35 2gry h ASP 250 Cb 1.15 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.29 2gry h ASP 250 CO 0.55 1.04 -0.21 -0.31 -1.72 0.00 0.00 179.24 178.58 2gry s TYR 251 N -4.90 -0.12 -0.01 4.55 1.51 -1.24 -4.81 117.35 112.33 2gry s TYR 251 Ca -0.11 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2gry s TYR 251 Cb 0.14 0.12 0.01 0.00 -0.11 0.00 0.00 41.96 42.12 2gry s TYR 251 CO 0.85 -0.55 -0.00 0.00 -1.11 0.00 0.00 175.55 174.73 2gry s ALA 252 N -2.87 0.13 -0.14 3.71 0.00 0.19 -2.21 121.76 120.57 2gry s ALA 252 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2gry s ALA 252 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2gry s ALA 252 CO -0.05 -0.01 -0.22 -0.06 0.00 0.00 0.00 175.76 175.42 2gry s PHE 253 N 0.29 2.68 1.08 0.00 0.08 0.49 -4.53 117.98 118.06 2gry s PHE 253 Ca -0.02 -1.35 -0.16 0.00 0.12 0.00 0.00 56.93 55.51 2gry s PHE 253 Cb -0.04 -1.82 0.23 0.00 -0.57 0.00 0.00 43.02 40.82 2gry s PHE 253 CO -0.01 -0.62 1.14 0.16 -0.10 0.00 0.00 175.22 175.80 2gry s ASP 254 N 0.83 2.03 0.00 1.36 1.47 -1.26 -1.68 116.67 119.42 2gry s ASP 254 Ca -0.07 0.75 0.14 0.00 1.18 0.00 0.00 52.55 54.56 2gry s ASP 254 Cb -0.15 -1.12 0.84 0.00 -0.34 0.00 0.00 42.92 42.15 2gry s ASP 254 CO -0.02 -3.45 1.30 -0.90 0.68 0.00 0.00 175.17 172.78 2gry n ASP 255 N -4.33 0.00 0.00 2.11 5.68 -1.22 -1.91 116.55 116.88 2gry n ASP 255 Ca 0.10 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 2gry n ASP 255 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 2gry n ASP 255 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2gry n SER 256 N -0.85 1.30 -4.66 -1.12 3.41 -1.26 -3.99 113.62 106.45 2gry n SER 256 Ca 0.11 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 2gry n SER 256 Cb 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2gry n SER 256 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gry s ALA 257 N -0.36 3.62 0.75 7.33 0.00 -0.80 -5.02 121.76 127.27 2gry s ALA 257 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 2gry s ALA 257 Cb 0.00 -3.77 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2gry s ALA 257 CO 0.00 -1.41 1.09 -1.25 0.00 0.00 0.00 175.76 174.19 2gry s PRO 258 N 3.95 2.52 0.31 0.00 0.04 -1.26 -4.92 135.00 135.63 2gry s PRO 258 Ca 0.78 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.55 2gry s PRO 258 Cb -0.37 -1.97 0.78 0.00 0.04 0.00 0.00 34.50 32.98 2gry s PRO 258 CO 0.34 -1.32 1.76 -0.91 0.04 0.00 0.00 177.00 176.91 2gry h ASN 259 N -0.87 0.74 0.36 6.66 4.21 -1.95 -1.96 115.58 122.77 2gry h ASN 259 Ca -0.46 0.11 -0.07 0.00 1.21 0.00 0.00 56.30 57.09 2gry h ASN 259 Cb 1.25 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 2gry h ASN 259 CO 0.60 0.21 -0.35 -0.33 -1.29 0.00 0.00 177.43 176.27 2gry h GLU 260 N 0.70 0.00 -0.29 0.81 5.08 -1.93 0.64 114.58 119.59 2gry h GLU 260 Ca 0.60 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.89 2gry h GLU 260 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2gry h GLU 260 CO -0.42 0.35 -0.07 1.98 -1.00 0.00 0.00 179.01 179.86 2gry h MET 261 N 0.00 0.56 -0.07 2.33 4.05 -1.73 -2.48 114.93 117.59 2gry h MET 261 Ca -0.00 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 2gry h MET 261 Cb 0.63 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2gry h MET 261 CO 0.05 0.76 -0.02 0.28 0.23 0.00 0.00 176.91 178.20 2gry h VAL 262 N 0.32 1.31 -0.73 -5.77 2.07 -1.30 -3.12 116.25 109.03 2gry h VAL 262 Ca 0.07 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 66.73 2gry h VAL 262 Cb 0.55 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 2gry h VAL 262 CO 0.03 0.27 0.34 0.22 0.02 0.00 0.00 177.57 178.44 2gry h TYR 263 N -0.22 0.60 -0.95 1.57 3.20 -0.94 -2.78 116.97 117.45 2gry h TYR 263 Ca 0.02 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.09 2gry h TYR 263 Cb 0.44 -0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.45 2gry h TYR 263 CO 0.06 0.17 0.55 -0.09 -1.64 0.00 0.00 178.16 177.21 2gry h ARG 264 N 0.55 0.70 -0.02 1.82 2.43 -1.37 -1.35 114.38 117.14 2gry h ARG 264 Ca 0.37 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2gry h ARG 264 Cb 0.46 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2gry h ARG 264 CO -0.31 0.46 -0.19 1.19 -1.51 0.00 0.00 179.97 179.61 2gry n PHE 265 N -4.80 0.00 0.00 2.20 3.72 -1.06 -4.36 117.46 113.16 2gry n PHE 265 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2gry n PHE 265 Cb 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2gry n PHE 265 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2gry n THR 266 N 0.46 0.00 0.07 4.37 -2.24 -0.87 -4.89 114.28 111.18 2gry n THR 266 Ca 0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2gry n THR 266 Cb 0.49 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 2gry n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gry h ALA 267 N 0.00 0.27 -0.48 6.98 0.00 -1.71 -3.38 119.26 120.94 2gry h ALA 267 Ca 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 54.91 53.98 2gry h ALA 267 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2gry h ALA 267 CO 0.00 1.14 0.13 -0.09 0.00 0.00 0.00 179.25 180.43 2gry h ARG 268 N 0.05 0.28 0.00 0.00 2.43 -1.49 -1.64 114.38 114.00 2gry h ARG 268 Ca -0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2gry h ARG 268 Cb 1.94 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 2gry h ARG 268 CO 0.16 0.18 0.00 -1.35 -1.51 0.00 0.00 179.97 177.46 2gry h PRO 269 N 0.28 0.00 0.00 0.20 0.11 -1.76 -2.61 132.00 128.22 2gry h PRO 269 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2gry h PRO 269 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2gry h PRO 269 CO -0.27 0.00 -0.46 1.28 -0.21 0.00 0.00 178.00 178.33 2gry n LEU 270 N -2.77 0.51 -0.20 2.35 4.77 -0.62 -3.80 117.00 117.23 2gry n LEU 270 Ca -0.01 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2gry n LEU 270 Cb 0.13 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2gry n LEU 270 CO 0.19 0.04 0.88 0.58 -1.33 0.00 0.00 177.39 177.74 2gry h VAL 271 N 0.00 1.26 -0.23 4.08 2.07 -1.41 -1.98 116.25 120.05 2gry h VAL 271 Ca 0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2gry h VAL 271 Cb 0.59 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2gry h VAL 271 CO 0.00 0.39 0.07 -0.33 0.02 0.00 0.00 177.57 177.72 2gry h GLU 272 N 0.96 0.32 -0.79 1.57 3.07 -1.75 -3.02 114.58 114.94 2gry h GLU 272 Ca 0.18 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 59.12 2gry h GLU 272 Cb 0.48 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.24 2gry h GLU 272 CO 0.02 0.29 0.40 1.15 -1.40 0.00 0.00 179.01 179.48 2gry h THR 273 N 0.33 0.80 0.00 1.13 2.02 -1.50 -1.24 112.91 114.44 2gry h THR 273 Ca 0.08 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.86 2gry h THR 273 Cb 0.11 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 2gry h THR 273 CO -0.01 0.12 -0.87 0.16 0.37 0.00 0.00 175.52 175.29 2gry h ILE 274 N 0.64 1.49 -0.02 3.11 3.07 -1.55 0.35 117.51 124.60 2gry h ILE 274 Ca 0.41 -3.10 -0.15 0.00 1.55 0.00 0.00 64.86 63.57 2gry h ILE 274 Cb 0.50 2.73 -0.02 0.00 -0.27 0.00 0.00 36.82 39.76 2gry h ILE 274 CO -0.31 0.85 -0.69 -0.26 -1.05 0.00 0.00 178.15 176.69 2gry h PHE 275 N 0.00 0.12 0.00 0.16 -1.00 -1.51 -2.13 116.94 112.58 2gry h PHE 275 Ca -0.01 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2gry h PHE 275 Cb 1.66 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.20 2gry h PHE 275 CO 0.00 0.75 0.00 0.39 -1.61 0.00 0.00 178.31 177.84 2gry n GLU 276 N -3.76 0.99 -1.55 1.51 1.02 -0.49 -4.89 120.64 113.48 2gry n GLU 276 Ca -0.02 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2gry n GLU 276 Cb 0.67 -1.07 -0.00 0.00 -0.02 0.00 0.00 31.44 31.03 2gry n GLU 276 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2gry n ARG 277 N -0.57 -0.02 -2.77 3.49 1.74 -0.80 -5.04 116.66 112.69 2gry n ARG 277 Ca 0.03 0.24 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 2gry n ARG 277 Cb 0.01 -3.76 0.09 0.00 -1.02 0.00 0.00 32.46 27.78 2gry n ARG 277 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gry s GLY 278 N -2.99 1.76 -0.17 -0.13 0.00 0.12 -4.75 107.32 101.15 2gry s GLY 278 Ca 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.82 2gry s GLY 278 CO 0.00 -1.37 -0.09 1.06 0.00 0.00 0.00 173.10 172.70 2gry s MET 279 N -4.93 3.38 0.05 2.90 -1.94 -0.67 -2.95 119.30 115.13 2gry s MET 279 Ca 0.64 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 54.06 2gry s MET 279 Cb -0.06 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 2gry s MET 279 CO 0.42 0.01 -0.25 0.00 -0.01 0.00 0.00 175.02 175.18 2gry s ALA 280 N 0.90 2.31 0.05 3.03 0.00 -0.29 -1.83 121.76 125.92 2gry s ALA 280 Ca -0.02 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2gry s ALA 280 Cb -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2gry s ALA 280 CO 0.00 0.54 -0.11 0.95 0.00 0.00 0.00 175.76 177.14 2gry s THR 281 N -0.84 0.83 -0.06 0.00 -4.23 -0.67 -1.01 115.64 109.65 2gry s THR 281 Ca 0.12 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2gry s THR 281 Cb -0.10 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 72.95 2gry s THR 281 CO 0.03 -0.23 0.04 0.00 -0.54 0.00 0.00 174.62 173.91 2gry s PHE 283 N 2.08 3.04 -0.26 0.00 0.40 0.18 0.21 117.98 123.63 2gry s PHE 283 Ca 0.05 0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.41 2gry s PHE 283 Cb -0.12 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2gry s PHE 283 CO -0.04 0.41 0.04 0.00 0.70 0.00 0.00 175.22 176.33 2gry s ALA 284 N -0.90 3.02 -0.06 5.36 0.00 0.52 -0.09 121.76 129.60 2gry s ALA 284 Ca 0.14 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.85 2gry s ALA 284 Cb -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2gry s ALA 284 CO 0.04 -0.68 -0.19 -0.47 0.00 0.00 0.00 175.76 174.46 2gry s TYR 285 N 1.52 1.95 -5.00 0.00 6.14 0.25 -1.90 117.35 120.31 2gry s TYR 285 Ca 0.04 -0.67 0.00 0.00 0.64 0.00 0.00 57.07 57.09 2gry s TYR 285 Cb -0.16 -1.33 0.00 0.00 0.42 0.00 0.00 41.96 40.89 2gry s TYR 285 CO 0.01 -0.26 0.00 0.41 0.64 0.00 0.00 175.55 176.35 2gry n GLY 286 N 3.37 -2.16 3.78 8.97 0.00 -1.26 -0.89 105.19 116.99 2gry n GLY 286 Ca -0.19 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2gry n GLY 286 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gry s GLN 287 N -1.92 2.85 0.14 1.61 -2.07 -1.26 -2.41 119.66 116.60 2gry s GLN 287 Ca 0.00 1.25 -0.33 0.00 -1.82 0.00 0.00 55.36 54.46 2gry s GLN 287 Cb 0.00 -1.97 -0.13 0.00 -1.09 0.00 0.00 33.01 29.82 2gry s GLN 287 CO 0.00 -1.19 1.66 2.41 -1.32 0.00 0.00 175.29 176.85 2gry n THR 288 N -2.60 0.10 -0.03 3.63 -1.04 -1.26 -1.93 114.28 111.15 2gry n THR 288 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2gry n THR 288 Cb 0.53 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 2gry n THR 288 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gry n GLY 289 N 3.70 0.34 0.08 3.41 0.00 -1.26 -4.96 105.19 106.50 2gry n GLY 289 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2gry n GLY 289 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gry h SER 290 N 0.00 0.00 0.00 1.61 4.64 -1.73 -3.46 113.55 114.61 2gry h SER 290 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2gry h SER 290 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gry h SER 290 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2gry n GLY 291 N 1.32 1.90 0.07 -0.77 0.00 -1.26 -4.09 105.19 102.36 2gry n GLY 291 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2gry n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gry h LYS 292 N 0.00 -0.06 -0.36 1.61 1.57 -1.92 -1.43 116.57 115.97 2gry h LYS 292 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2gry h LYS 292 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2gry h LYS 292 CO 0.00 0.00 -0.24 1.15 -0.57 0.00 0.00 179.45 179.79 2gry h THR 293 N -0.12 1.28 -0.95 -0.16 2.02 -1.96 -0.45 112.91 112.57 2gry h THR 293 Ca -0.01 -1.39 0.18 0.00 0.77 0.00 0.00 66.41 65.97 2gry h THR 293 Cb 0.10 1.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2gry h THR 293 CO 0.01 0.46 0.61 -0.74 0.37 0.00 0.00 175.52 176.23 2gry h HIS 294 N 0.60 0.84 0.06 3.16 -0.00 -1.80 0.29 115.15 118.30 2gry h HIS 294 Ca 0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.34 2gry h HIS 294 Cb 0.81 -0.26 0.01 0.00 -0.00 0.00 0.00 27.41 27.97 2gry h HIS 294 CO 0.06 0.23 -0.56 1.15 -0.00 0.00 0.00 177.93 178.81 2gry h THR 295 N 0.64 1.53 0.01 6.26 2.02 -0.62 -3.17 112.91 119.59 2gry h THR 295 Ca 0.52 -2.29 -0.17 0.00 0.77 0.00 0.00 66.41 65.24 2gry h THR 295 Cb 0.95 3.00 -0.02 0.00 -1.74 0.00 0.00 68.15 70.34 2gry h THR 295 CO -0.27 0.64 -0.90 0.24 0.37 0.00 0.00 175.52 175.61 2gry h MET 296 N -0.40 0.03 0.00 6.66 2.86 -0.97 0.37 114.93 123.48 2gry h MET 296 Ca -0.09 -0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 57.22 2gry h MET 296 Cb 1.37 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.99 2gry h MET 296 CO 0.11 1.02 -2.05 0.41 1.06 0.00 0.00 176.91 177.46 2gry n GLY 297 N 1.53 -0.69 0.00 8.32 0.00 0.28 -0.92 105.19 113.70 2gry n GLY 297 Ca -0.25 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2gry n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gry n GLY 298 N 2.13 0.64 0.00 -0.02 0.00 0.76 -4.27 105.19 104.43 2gry n GLY 298 Ca -0.26 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2gry n GLY 298 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gry n SER 308 N 0.00 0.00 -0.76 1.61 3.41 -1.26 -4.60 113.62 112.02 2gry n SER 308 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2gry n SER 308 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 2gry n SER 308 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2gry n LYS 309 N -0.42 1.72 -1.67 4.33 4.01 -1.26 -4.48 118.16 120.39 2gry n LYS 309 Ca 0.00 -1.72 -0.31 0.00 -0.51 0.00 0.00 58.31 55.77 2gry n LYS 309 Cb 0.00 -1.35 0.05 0.00 -0.51 0.00 0.00 35.03 33.22 2gry n LYS 309 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2gry s GLY 310 N -1.34 1.65 0.24 0.72 0.00 -1.26 -4.63 107.32 102.70 2gry s GLY 310 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.85 2gry s GLY 310 CO 0.22 0.27 1.79 -2.22 0.00 0.00 0.00 173.10 173.16 2gry h ILE 311 N -0.70 1.25 -0.61 0.90 2.04 0.98 -2.12 117.51 119.25 2gry h ILE 311 Ca -0.45 -0.85 0.13 0.00 1.00 0.00 0.00 64.86 64.69 2gry h ILE 311 Cb 1.22 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 2gry h ILE 311 CO 0.59 0.33 -0.06 1.88 0.00 0.00 0.00 178.15 180.89 2gry h TYR 312 N 0.99 -0.16 -0.09 1.37 0.05 -1.42 -1.03 116.97 116.69 2gry h TYR 312 Ca 0.22 0.05 -0.23 0.00 0.05 0.00 0.00 58.73 58.82 2gry h TYR 312 Cb 0.28 0.17 0.01 0.00 1.01 0.00 0.00 36.73 38.20 2gry h TYR 312 CO 0.02 -0.21 -0.87 0.00 -1.05 0.00 0.00 178.16 176.05 2gry h ALA 313 N 1.58 0.29 -0.59 3.88 0.00 -1.72 -1.54 119.26 121.17 2gry h ALA 313 Ca 0.31 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2gry h ALA 313 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2gry h ALA 313 CO -0.57 0.70 -0.01 -0.07 0.00 0.00 0.00 179.25 179.30 2gry h LEU 314 N 0.44 1.02 -0.10 0.00 3.38 -1.18 0.83 115.31 119.70 2gry h LEU 314 Ca -0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2gry h LEU 314 Cb 1.50 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2gry h LEU 314 CO 0.17 1.08 0.04 0.00 0.09 0.00 0.00 178.44 179.82 2gry h ALA 315 N 1.02 0.13 -0.81 1.53 0.00 -1.22 -2.68 119.26 117.23 2gry h ALA 315 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2gry h ALA 315 Cb 0.56 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2gry h ALA 315 CO 0.03 -0.30 0.47 0.00 0.00 0.00 0.00 179.25 179.45 2gry h ALA 316 N 0.90 1.13 0.10 0.00 0.00 -0.93 -0.06 119.26 120.39 2gry h ALA 316 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gry h ALA 316 Cb 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2gry h ALA 316 CO -0.00 0.15 -0.44 -0.09 0.00 0.00 0.00 179.25 178.87 2gry h ARG 317 N 0.83 -0.64 -0.23 0.00 2.43 -0.78 -2.56 114.38 113.44 2gry h ARG 317 Ca 0.37 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2gry h ARG 317 Cb 0.27 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2gry h ARG 317 CO -0.21 -0.42 0.00 -0.44 -1.51 0.00 0.00 179.97 177.39 2gry h ASP 318 N -0.66 0.31 -0.20 -3.80 3.32 -0.91 -2.18 116.42 112.30 2gry h ASP 318 Ca 0.02 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2gry h ASP 318 Cb 0.69 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2gry h ASP 318 CO -0.26 0.37 0.03 0.58 -1.72 0.00 0.00 179.24 178.23 2gry h VAL 319 N 0.33 0.90 0.00 -1.35 2.07 -0.81 0.20 116.25 117.59 2gry h VAL 319 Ca 0.08 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2gry h VAL 319 Cb 0.23 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2gry h VAL 319 CO 0.00 0.02 -0.32 -0.26 0.02 0.00 0.00 177.57 177.03 2gry h PHE 320 N 0.10 0.00 -0.00 1.57 0.04 -1.01 -1.80 116.94 115.84 2gry h PHE 320 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2gry h PHE 320 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2gry h PHE 320 CO -0.15 0.32 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.76 2gry h LEU 321 N 0.00 0.04 -1.25 1.54 3.38 -1.13 -3.27 115.31 114.61 2gry h LEU 321 Ca -0.00 -0.79 0.19 0.00 0.09 0.00 0.00 57.88 57.37 2gry h LEU 321 Cb 0.71 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2gry h LEU 321 CO 0.04 0.82 0.61 0.24 0.09 0.00 0.00 178.44 180.24 2gry h MET 322 N -0.74 0.59 0.00 1.13 2.86 -0.53 -1.78 114.93 116.47 2gry h MET 322 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2gry h MET 322 Cb 0.83 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2gry h MET 322 CO 0.01 0.39 -0.02 1.25 1.06 0.00 0.00 176.91 179.60 2gry h LEU 323 N 0.61 0.00 0.00 1.22 5.85 -1.38 -1.27 115.31 120.34 2gry h LEU 323 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2gry h LEU 323 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2gry h LEU 323 CO -0.27 0.02 -0.37 0.11 -0.34 0.00 0.00 178.44 177.59 2gry h LYS 324 N 0.00 0.00 -6.98 1.25 6.56 -1.40 -3.10 116.57 112.90 2gry h LYS 324 Ca -0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 2gry h LYS 324 Cb 0.04 0.00 0.12 0.00 -0.57 0.00 0.00 32.23 31.82 2gry h LYS 324 CO 0.00 0.00 0.73 0.15 -2.06 0.00 0.00 179.45 178.27 2gry s LYS 325 N -3.23 3.77 0.39 3.15 3.01 -0.48 -4.62 119.74 121.72 2gry s LYS 325 Ca 0.05 2.49 0.06 0.00 -1.01 0.00 0.00 55.97 57.57 2gry s LYS 325 Cb 0.09 -2.73 0.80 0.00 -1.01 0.00 0.00 37.83 34.98 2gry s LYS 325 CO 0.70 -0.78 2.02 -1.00 0.51 0.00 0.00 175.35 176.80 2gry h PRO 326 N 2.46 0.63 -0.84 -1.68 0.13 -1.90 0.19 132.00 130.99 2gry h PRO 326 Ca -0.51 -0.04 0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2gry h PRO 326 Cb 1.26 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 2gry h PRO 326 CO 0.62 0.42 0.55 -0.91 -0.23 0.00 0.00 178.00 178.44 2gry h ASN 327 N 0.65 0.64 0.00 1.44 2.35 -1.93 -3.26 115.58 115.48 2gry h ASN 327 Ca 0.21 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 2gry h ASN 327 Cb 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2gry h ASN 327 CO -0.05 0.35 -1.75 -1.22 -1.65 0.00 0.00 177.43 173.11 2gry n TYR 328 N -4.53 0.00 -0.23 1.19 0.53 -0.21 -4.36 117.16 109.54 2gry n TYR 328 Ca 0.15 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.15 2gry n TYR 328 Cb 0.41 -0.48 0.40 0.00 -1.03 0.00 0.00 39.34 38.65 2gry n TYR 328 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 2gry h LYS 329 N 0.00 0.62 -0.00 -0.72 1.63 -0.63 -2.03 116.57 115.44 2gry h LYS 329 Ca -0.19 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2gry h LYS 329 Cb 1.26 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2gry h LYS 329 CO 0.01 0.41 -0.04 1.63 -3.45 0.00 0.00 179.45 178.01 2gry n LYS 330 N -4.53 0.55 0.03 1.90 4.01 -1.24 -3.92 118.16 114.97 2gry n LYS 330 Ca 0.16 -0.08 0.13 0.00 -0.51 0.00 0.00 58.31 58.01 2gry n LYS 330 Cb 0.45 -1.50 0.40 0.00 -0.51 0.00 0.00 35.03 33.86 2gry n LYS 330 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2gry n LEU 331 N -1.16 0.42 -3.17 -0.35 4.77 -0.76 -4.95 117.00 111.80 2gry n LEU 331 Ca 0.15 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 56.23 2gry n LEU 331 Cb 0.24 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2gry n LEU 331 CO 0.23 -0.01 0.06 -0.62 -1.33 0.00 0.00 177.39 175.72 2gry n GLU 332 N -1.76 -5.73 -2.59 3.23 1.02 -1.25 -4.92 120.64 108.64 2gry n GLU 332 Ca 0.06 0.90 -0.35 0.00 -0.02 0.00 0.00 57.16 57.74 2gry n GLU 332 Cb 0.37 -5.82 -0.04 0.00 -0.02 0.00 0.00 31.44 25.94 2gry n GLU 332 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2gry s LEU 333 N -6.86 4.00 0.08 -4.62 1.43 -1.26 -4.70 118.68 106.74 2gry s LEU 333 Ca 0.38 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 55.49 2gry s LEU 333 Cb -0.17 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2gry s LEU 333 CO 0.47 -0.57 -0.19 -1.10 0.23 0.00 0.00 176.35 175.19 2gry s GLN 334 N -2.86 1.12 -0.09 1.70 -0.21 0.56 -4.96 119.66 114.92 2gry s GLN 334 Ca 0.62 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.97 2gry s GLN 334 Cb -0.18 -1.29 -0.02 0.00 1.00 0.00 0.00 33.01 32.52 2gry s GLN 334 CO 0.22 0.31 -0.14 0.08 -2.12 0.00 0.00 175.29 173.64 2gry s VAL 335 N -1.07 3.05 0.09 1.09 1.01 -1.26 -0.90 120.40 122.42 2gry s VAL 335 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2gry s VAL 335 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2gry s VAL 335 CO 0.03 0.56 -0.09 -0.31 0.00 0.00 0.00 175.10 175.29 2gry s TYR 336 N -0.19 0.95 0.04 5.22 2.02 0.25 -1.58 117.35 124.07 2gry s TYR 336 Ca 0.00 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2gry s TYR 336 Cb -0.13 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2gry s TYR 336 CO 0.03 -0.06 -0.12 0.00 -1.57 0.00 0.00 175.55 173.84 2gry s ALA 337 N -2.68 0.95 0.12 3.71 0.00 0.40 -0.22 121.76 124.04 2gry s ALA 337 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2gry s ALA 337 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2gry s ALA 337 CO -0.01 0.13 -0.15 0.95 0.00 0.00 0.00 175.76 176.69 2gry s THR 338 N -1.02 1.37 -0.11 0.00 -4.23 -0.93 -0.70 115.64 110.01 2gry s THR 338 Ca -0.02 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2gry s THR 338 Cb -0.08 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.28 2gry s THR 338 CO 0.01 -0.39 0.15 0.12 -0.54 0.00 0.00 174.62 173.98 2gry s PHE 339 N -2.05 -0.12 0.17 3.99 2.19 -1.26 -0.64 117.98 120.25 2gry s PHE 339 Ca 0.09 0.40 -0.04 0.00 0.33 0.00 0.00 56.93 57.71 2gry s PHE 339 Cb -0.05 -0.35 -0.03 0.00 -1.31 0.00 0.00 43.02 41.27 2gry s PHE 339 CO 0.03 -0.35 0.16 -0.59 1.83 0.00 0.00 175.22 176.31 2gry s PHE 340 N 2.27 0.83 0.16 10.12 -0.12 -0.33 -1.74 117.98 129.17 2gry s PHE 340 Ca 0.04 -1.15 0.11 0.00 -0.05 0.00 0.00 56.93 55.88 2gry s PHE 340 Cb -0.13 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 2gry s PHE 340 CO -0.07 -0.64 -0.25 -1.83 -0.05 0.00 0.00 175.22 172.38 2gry s GLU 341 N -4.07 1.46 -0.26 1.99 -1.05 -0.01 0.39 118.70 117.15 2gry s GLU 341 Ca 0.28 -1.44 -0.05 0.00 -0.15 0.00 0.00 54.97 53.61 2gry s GLU 341 Cb 0.06 -1.85 0.01 0.00 -0.44 0.00 0.00 34.13 31.90 2gry s GLU 341 CO 0.05 0.42 0.01 0.42 0.95 0.00 0.00 175.26 177.12 2gry s ILE 342 N -1.40 3.58 -0.08 1.83 1.01 0.86 -1.34 121.20 125.65 2gry s ILE 342 Ca 0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2gry s ILE 342 Cb -0.09 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.64 2gry s ILE 342 CO 0.08 0.22 -0.04 -0.47 0.00 0.00 0.00 174.94 174.73 2gry s TYR 343 N 1.46 1.04 -1.49 3.97 5.04 0.04 -1.33 117.35 126.08 2gry s TYR 343 Ca 0.03 -0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.18 2gry s TYR 343 Cb -0.16 -0.97 0.02 0.00 0.35 0.00 0.00 41.96 41.20 2gry s TYR 343 CO -0.01 -0.39 0.70 0.45 -1.34 0.00 0.00 175.55 174.97 2gry n SER 344 N 4.89 -5.78 0.00 4.32 2.88 -1.26 -1.57 113.62 117.10 2gry n SER 344 Ca -0.12 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 2gry n SER 344 Cb 0.50 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.31 2gry n SER 344 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gry n GLY 345 N -1.56 0.68 3.26 0.46 0.00 -1.26 -5.03 105.19 101.74 2gry n GLY 345 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2gry n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gry s LYS 346 N -0.35 1.10 -0.11 1.61 1.02 -0.61 -4.79 119.74 117.61 2gry s LYS 346 Ca 0.00 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.47 2gry s LYS 346 Cb 0.00 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 2gry s LYS 346 CO 0.00 0.03 0.00 0.08 -0.92 0.00 0.00 175.35 174.54 2gry s VAL 347 N -3.38 4.31 -0.01 3.17 1.01 -1.26 -0.78 120.40 123.47 2gry s VAL 347 Ca 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2gry s VAL 347 Cb 0.03 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 2gry s VAL 347 CO 0.02 0.57 -0.06 -0.36 0.00 0.00 0.00 175.10 175.27 2gry s PHE 348 N -0.54 0.54 -0.34 5.22 0.08 -0.45 -1.67 117.98 120.82 2gry s PHE 348 Ca 0.09 -0.10 -0.27 0.00 0.12 0.00 0.00 56.93 56.77 2gry s PHE 348 Cb -0.12 -0.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.99 2gry s PHE 348 CO 0.02 -0.02 0.98 0.34 -0.10 0.00 0.00 175.22 176.45 2gry s ASP 349 N -0.09 6.79 0.17 1.36 -1.08 0.10 -0.83 116.67 123.09 2gry s ASP 349 Ca 0.02 0.81 0.23 0.00 -0.52 0.00 0.00 52.55 53.09 2gry s ASP 349 Cb -0.03 -2.50 0.90 0.00 -1.46 0.00 0.00 42.92 39.83 2gry s ASP 349 CO -0.00 -0.85 1.70 0.18 0.52 0.00 0.00 175.17 176.72 2gry n LEU 350 N 6.77 0.50 -0.70 -1.34 4.77 -0.71 0.48 117.00 126.77 2gry n LEU 350 Ca 0.09 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.78 2gry n LEU 350 Cb 0.48 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2gry n LEU 350 CO 0.58 -0.36 0.45 0.18 -1.33 0.00 0.00 177.39 176.91 2gry n LEU 351 N -2.02 2.45 -3.03 2.23 4.77 -1.22 -4.02 117.00 116.15 2gry n LEU 351 Ca 0.04 -0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 54.99 2gry n LEU 351 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2gry n LEU 351 CO 0.21 0.43 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.33 2gry n ASN 352 N 0.61 0.85 -2.43 -1.43 4.05 -1.10 -5.01 115.26 110.79 2gry n ASN 352 Ca 0.11 -2.95 -0.20 0.00 0.45 0.00 0.00 54.58 51.99 2gry n ASN 352 Cb 0.52 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.04 2gry n ASN 352 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2gry n ARG 353 N 0.18 -2.57 -2.79 1.20 1.74 -1.16 -1.79 116.66 111.48 2gry n ARG 353 Ca 0.20 0.92 -0.21 0.00 -0.77 0.00 0.00 57.85 57.99 2gry n ARG 353 Cb 0.70 -5.56 0.01 0.00 -1.02 0.00 0.00 32.46 26.60 2gry n ARG 353 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2gry n LYS 354 N -3.19 -3.41 -2.09 5.56 4.76 0.18 -4.95 118.16 115.01 2gry n LYS 354 Ca -0.19 0.87 -0.41 0.00 -2.87 0.00 0.00 58.31 55.70 2gry n LYS 354 Cb 0.66 -5.63 -0.03 0.00 -1.84 0.00 0.00 35.03 28.19 2gry n LYS 354 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2gry s THR 355 N -3.05 2.89 0.08 -0.18 -1.32 -0.74 -4.54 115.64 108.77 2gry s THR 355 Ca 0.18 0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 61.09 2gry s THR 355 Cb -0.08 -3.47 -0.05 0.00 -1.51 0.00 0.00 72.50 67.38 2gry s THR 355 CO 0.22 0.11 1.08 -0.75 -2.21 0.00 0.00 174.62 173.07 2gry s LYS 356 N -0.16 4.54 0.11 7.08 2.20 -1.26 -0.72 119.74 131.53 2gry s LYS 356 Ca 0.59 1.61 0.10 0.00 -0.36 0.00 0.00 55.97 57.91 2gry s LYS 356 Cb -0.40 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2gry s LYS 356 CO 0.40 -0.06 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.58 2gry s LEU 357 N 0.57 2.29 0.15 5.43 1.43 -0.67 -4.98 118.68 122.91 2gry s LEU 357 Ca 0.53 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2gry s LEU 357 Cb -0.26 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 2gry s LEU 357 CO 0.30 0.14 0.38 0.00 0.23 0.00 0.00 176.35 177.41 2gry s ARG 358 N -1.90 3.60 -0.13 1.70 1.04 -1.26 -4.32 118.95 117.67 2gry s ARG 358 Ca 0.11 -0.14 -0.00 0.00 -1.04 0.00 0.00 55.73 54.66 2gry s ARG 358 Cb -0.10 -2.84 -0.01 0.00 -2.04 0.00 0.00 34.95 29.95 2gry s ARG 358 CO 0.05 0.45 -0.13 0.08 -0.04 0.00 0.00 175.30 175.71 2gry s VAL 359 N -1.70 3.07 -0.24 4.99 1.01 -1.26 -0.54 120.40 125.72 2gry s VAL 359 Ca 0.41 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2gry s VAL 359 Cb -0.12 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.99 2gry s VAL 359 CO 0.26 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 175.06 2gry s LEU 360 N 0.35 3.12 -0.02 3.92 1.43 0.14 -4.97 118.68 122.66 2gry s LEU 360 Ca -0.11 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2gry s LEU 360 Cb -0.16 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2gry s LEU 360 CO 0.06 -0.11 -0.02 1.21 0.23 0.00 0.00 176.35 177.71 2gry n GLU 361 N 4.70 0.05 -1.64 1.70 0.00 -1.26 -0.83 120.64 123.36 2gry n GLU 361 Ca -0.17 0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.58 2gry n GLU 361 Cb 0.48 -0.82 -0.03 0.00 0.00 0.00 0.00 31.44 31.07 2gry n GLU 361 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2gry n ASP 362 N -2.83 3.83 0.00 4.31 2.03 -1.26 -2.11 116.55 120.52 2gry n ASP 362 Ca -0.04 0.64 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2gry n ASP 362 Cb 0.54 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 2gry n ASP 362 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gry n GLY 363 N 5.02 0.64 3.74 0.27 0.00 -1.26 -5.01 105.19 108.59 2gry n GLY 363 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2gry n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gry s LYS 364 N -0.33 4.44 0.41 1.61 -0.14 -0.90 -4.96 119.74 119.87 2gry s LYS 364 Ca 0.00 0.94 0.09 0.00 -1.36 0.00 0.00 55.97 55.64 2gry s LYS 364 Cb 0.00 -3.39 0.86 0.00 -1.68 0.00 0.00 37.83 33.62 2gry s LYS 364 CO 0.00 0.22 1.99 1.96 -0.76 0.00 0.00 175.35 178.76 2gry h GLN 365 N 6.05 0.33 -4.38 1.68 7.50 -1.95 -3.39 115.11 120.95 2gry h GLN 365 Ca -0.43 -0.05 -0.48 0.00 0.50 0.00 0.00 58.65 58.19 2gry h GLN 365 Cb 1.20 -0.06 -0.34 0.00 0.05 0.00 0.00 27.48 28.34 2gry h GLN 365 CO 0.72 0.34 -0.80 -0.65 -1.50 0.00 0.00 178.83 176.94 2gry s GLN 366 N -5.05 1.43 0.15 1.46 -0.21 -1.26 -5.09 119.66 111.08 2gry s GLN 366 Ca -0.07 -0.32 -0.34 0.00 0.02 0.00 0.00 55.36 54.65 2gry s GLN 366 Cb 0.16 -1.23 -0.14 0.00 1.00 0.00 0.00 33.01 32.80 2gry s GLN 366 CO 0.73 -0.01 1.54 0.28 -2.12 0.00 0.00 175.29 175.71 2gry n VAL 367 N 3.88 0.01 -3.91 1.09 0.31 -1.26 -4.96 118.33 113.49 2gry n VAL 367 Ca -0.24 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 2gry n VAL 367 Cb 0.51 -1.42 -0.13 0.00 -0.91 0.00 0.00 33.84 31.89 2gry n VAL 367 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2gry s GLN 368 N 0.88 3.56 -0.49 5.55 -1.52 -0.01 -4.98 119.66 122.64 2gry s GLN 368 Ca 0.80 -0.54 -0.17 0.00 -1.95 0.00 0.00 55.36 53.51 2gry s GLN 368 Cb -0.72 -3.15 0.07 0.00 -0.22 0.00 0.00 33.01 28.99 2gry s GLN 368 CO 0.39 -0.12 0.48 0.08 -0.25 0.00 0.00 175.29 175.87 2gry s VAL 369 N 1.37 5.11 -0.33 1.09 1.01 -1.26 0.29 120.40 127.68 2gry s VAL 369 Ca 0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2gry s VAL 369 Cb -0.15 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 2gry s VAL 369 CO 0.01 -0.69 1.41 -0.69 0.00 0.00 0.00 175.10 175.14 2gry s VAL 370 N 1.96 3.97 0.00 2.92 1.01 0.30 -2.56 120.40 128.00 2gry s VAL 370 Ca 0.07 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2gry s VAL 370 Cb -0.23 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2gry s VAL 370 CO 0.08 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.25 2gry n GLY 371 N 4.66 0.68 3.70 4.51 0.00 -1.26 -4.07 105.19 113.42 2gry n GLY 371 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2gry n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gry s LEU 372 N 0.00 4.36 -0.12 0.99 2.96 -1.06 -4.92 118.68 120.89 2gry s LEU 372 Ca 0.00 2.38 -0.29 0.00 -0.22 0.00 0.00 54.13 55.99 2gry s LEU 372 Cb 0.00 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2gry s LEU 372 CO 0.00 -0.77 1.43 -1.10 -1.32 0.00 0.00 176.35 174.60 2gry s GLN 373 N 1.85 4.20 -0.21 1.98 -1.52 -1.26 -4.99 119.66 119.70 2gry s GLN 373 Ca 0.68 1.87 -0.04 0.00 -1.95 0.00 0.00 55.36 55.92 2gry s GLN 373 Cb -0.38 -3.86 -0.01 0.00 -0.22 0.00 0.00 33.01 28.53 2gry s GLN 373 CO 0.30 -0.78 -0.03 -2.00 -0.25 0.00 0.00 175.29 172.53 2gry s GLU 374 N 3.76 3.47 -0.15 2.91 2.12 -1.26 -4.48 118.70 125.07 2gry s GLU 374 Ca 0.63 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.39 2gry s GLU 374 Cb -0.26 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2gry s GLU 374 CO 0.21 -0.11 -0.21 1.03 -0.54 0.00 0.00 175.26 175.64 2gry s ARG 375 N 1.28 2.92 0.22 4.30 0.52 0.12 -4.90 118.95 123.42 2gry s ARG 375 Ca 0.04 -0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 2gry s ARG 375 Cb -0.14 -2.40 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 2gry s ARG 375 CO -0.01 -0.06 1.56 -2.00 0.02 0.00 0.00 175.30 174.80 2gry s GLU 376 N 0.95 4.20 0.03 3.54 2.12 -1.26 -0.45 118.70 127.82 2gry s GLU 376 Ca -0.04 2.43 0.07 0.00 0.36 0.00 0.00 54.97 57.78 2gry s GLU 376 Cb -0.15 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2gry s GLU 376 CO -0.04 -0.58 -0.19 0.14 -0.54 0.00 0.00 175.26 174.05 2gry s VAL 377 N 0.54 1.54 0.00 3.70 -7.23 -0.61 -4.92 120.40 113.42 2gry s VAL 377 Ca 0.66 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2gry s VAL 377 Cb -0.45 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2gry s VAL 377 CO 0.39 0.21 0.26 0.29 -0.31 0.00 0.00 175.10 175.94 2gry n LYS 378 N 1.98 1.99 -3.58 4.82 5.02 -1.26 -4.39 118.16 122.73 2gry n LYS 378 Ca -0.17 -0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 55.78 2gry n LYS 378 Cb 0.54 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 34.79 2gry n LYS 378 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gry h VAL 380 N 2.00 0.80 -0.62 0.00 2.07 -1.95 -1.17 116.25 117.38 2gry h VAL 380 Ca -0.25 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2gry h VAL 380 Cb 1.26 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2gry h VAL 380 CO 0.30 0.13 0.35 -0.33 0.02 0.00 0.00 177.57 178.05 2gry h GLU 381 N 0.74 0.84 -0.40 1.57 5.08 -1.99 0.58 114.58 121.00 2gry h GLU 381 Ca 0.49 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2gry h GLU 381 Cb 0.78 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2gry h GLU 381 CO -0.26 0.61 0.09 -0.44 -1.00 0.00 0.00 179.01 178.01 2gry h ASP 382 N 0.86 0.54 0.12 1.42 3.32 -1.62 -2.74 116.42 118.31 2gry h ASP 382 Ca 0.22 -0.08 -0.30 0.00 0.02 0.00 0.00 57.03 56.90 2gry h ASP 382 Cb -0.00 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.43 2gry h ASP 382 CO -0.04 0.55 -1.23 0.58 -1.72 0.00 0.00 179.24 177.38 2gry h VAL 383 N 0.57 1.28 -0.63 -1.35 2.07 -1.03 -3.11 116.25 114.05 2gry h VAL 383 Ca 0.13 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 2gry h VAL 383 Cb 0.23 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 2gry h VAL 383 CO -0.00 0.74 0.38 -0.07 0.02 0.00 0.00 177.57 178.64 2gry h LEU 384 N 0.29 0.75 -0.64 2.57 3.38 -0.87 0.08 115.31 120.88 2gry h LEU 384 Ca -0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2gry h LEU 384 Cb 1.90 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 2gry h LEU 384 CO 0.24 0.58 0.19 0.11 0.09 0.00 0.00 178.44 179.65 2gry h LYS 385 N 0.87 1.00 -0.38 1.13 1.57 -1.52 -1.07 116.57 118.18 2gry h LYS 385 Ca 0.23 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 2gry h LYS 385 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2gry h LYS 385 CO -0.04 0.88 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.29 2gry h LEU 386 N 0.93 0.93 -0.64 2.94 3.38 -1.21 -1.77 115.31 119.87 2gry h LEU 386 Ca 0.21 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2gry h LEU 386 Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2gry h LEU 386 CO -0.01 1.19 0.16 0.40 0.09 0.00 0.00 178.44 180.27 2gry h ILE 387 N 0.73 1.26 -0.50 1.22 2.04 -0.86 -0.28 117.51 121.11 2gry h ILE 387 Ca 0.07 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2gry h ILE 387 Cb 0.93 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2gry h ILE 387 CO 0.09 0.35 0.07 0.44 0.00 0.00 0.00 178.15 179.09 2gry h ASP 388 N 0.94 0.81 0.20 1.72 3.32 -1.10 -0.59 116.42 121.72 2gry h ASP 388 Ca 0.20 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2gry h ASP 388 Cb 0.36 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2gry h ASP 388 CO 0.00 0.87 -0.10 0.40 -1.72 0.00 0.00 179.24 178.70 2gry h ILE 389 N 0.71 0.87 -0.67 0.35 2.04 -1.10 -2.71 117.51 117.00 2gry h ILE 389 Ca 0.15 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 2gry h ILE 389 Cb 0.42 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2gry h ILE 389 CO 0.01 0.08 0.16 1.23 0.00 0.00 0.00 178.15 179.63 2gry h GLY 390 N -0.44 1.15 1.00 5.37 0.00 -1.02 -1.30 103.07 107.82 2gry h GLY 390 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2gry h GLY 390 CO 0.04 0.66 0.30 -0.57 0.00 0.00 0.00 176.54 176.98 2gry h ASN 391 N 1.01 0.54 1.70 0.19 -0.73 -1.15 0.24 115.58 117.38 2gry h ASN 391 Ca 0.21 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 2gry h ASN 391 Cb 0.36 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 2gry h ASN 391 CO 0.00 0.40 -0.02 0.77 -0.37 0.00 0.00 177.43 178.22 2gry h SER 392 N 0.63 0.00 0.02 1.15 4.64 -1.27 -1.85 113.55 116.87 2gry h SER 392 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2gry h SER 392 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2gry h SER 392 CO -0.04 0.02 -0.01 0.00 -0.87 0.00 0.00 176.83 175.93 2gry h ARG 394 N -0.41 1.01 -5.20 0.00 2.43 -0.24 -3.49 114.38 108.48 2gry h ARG 394 Ca -0.00 -0.06 -0.64 0.00 -0.81 0.00 0.00 59.98 58.47 2gry h ARG 394 Cb 0.39 -0.23 -0.15 0.00 -0.42 0.00 0.00 29.97 29.56 2gry h ARG 394 CO 0.00 0.67 -0.12 0.95 -1.51 0.00 0.00 179.97 179.96 2gry s THR 395 N -5.93 5.08 0.00 0.20 -4.23 -0.72 -3.84 115.64 106.21 2gry s THR 395 Ca -0.12 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2gry s THR 395 Cb 0.20 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2gry s THR 395 CO 0.80 -0.05 0.00 1.57 -0.54 0.00 0.00 174.62 176.40 2gry n HIS 404 N 5.56 0.00 0.31 3.99 -0.00 -1.26 -5.06 115.22 118.76 2gry n HIS 404 Ca -0.06 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.84 2gry n HIS 404 Cb 0.50 0.00 1.00 0.00 -0.00 0.00 0.00 29.99 31.49 2gry n HIS 404 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2gry h SER 405 N 0.00 0.00 0.44 0.26 4.64 -1.92 -1.03 113.55 115.95 2gry h SER 405 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gry h SER 405 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gry h SER 405 CO 0.00 0.01 -0.70 -1.54 -0.87 0.00 0.00 176.83 173.73 2gry n SER 406 N -3.54 0.62 -0.61 4.97 3.41 -1.26 -4.14 113.62 113.07 2gry n SER 406 Ca -0.03 -0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.33 2gry n SER 406 Cb 0.10 0.48 0.19 0.00 -0.26 0.00 0.00 64.21 64.71 2gry n SER 406 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2gry n ARG 407 N -1.66 2.64 -4.10 4.33 5.12 -0.42 -1.92 116.66 120.65 2gry n ARG 407 Ca 0.04 -2.48 -0.10 0.00 -1.93 0.00 0.00 57.85 53.38 2gry n ARG 407 Cb 0.37 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 29.99 2gry n ARG 407 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2gry s SER 408 N -1.79 0.77 -0.12 0.55 1.04 -1.01 -4.56 113.70 108.58 2gry s SER 408 Ca 0.32 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 2gry s SER 408 Cb 0.25 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2gry s SER 408 CO 0.09 -0.44 0.43 -1.00 0.98 0.00 0.00 173.24 173.30 2gry s HIS 409 N -3.05 3.52 -0.18 5.02 3.76 -0.44 -2.73 115.29 121.19 2gry s HIS 409 Ca 0.03 0.84 -0.07 0.00 -0.15 0.00 0.00 55.06 55.71 2gry s HIS 409 Cb 0.02 -2.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 2gry s HIS 409 CO -0.05 0.22 0.05 0.00 -0.85 0.00 0.00 174.74 174.11 2gry s ALA 410 N 0.46 3.35 -0.24 -1.40 0.00 -0.10 -0.10 121.76 123.74 2gry s ALA 410 Ca 0.24 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2gry s ALA 410 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.12 2gry s ALA 410 CO 0.09 0.17 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 2gry s VAL 411 N 0.39 2.78 -0.21 0.00 1.01 0.16 -0.62 120.40 123.91 2gry s VAL 411 Ca 0.02 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2gry s VAL 411 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2gry s VAL 411 CO 0.01 0.24 0.10 0.12 0.00 0.00 0.00 175.10 175.57 2gry s PHE 412 N 1.32 3.27 -0.09 5.22 5.36 0.36 -1.19 117.98 132.23 2gry s PHE 412 Ca 0.01 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 2gry s PHE 412 Cb -0.16 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2gry s PHE 412 CO -0.05 0.08 -0.13 -0.65 -1.46 0.00 0.00 175.22 173.01 2gry s GLN 413 N 0.71 2.96 -0.24 10.12 -0.21 0.19 0.13 119.66 133.32 2gry s GLN 413 Ca 0.05 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 2gry s GLN 413 Cb -0.13 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 2gry s GLN 413 CO 0.02 0.42 0.06 0.42 -2.12 0.00 0.00 175.29 174.09 2gry s ILE 414 N -0.19 4.31 -0.16 1.08 1.01 0.63 -2.20 121.20 125.68 2gry s ILE 414 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2gry s ILE 414 Cb -0.13 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.35 2gry s ILE 414 CO 0.03 0.35 -0.16 -0.63 0.00 0.00 0.00 174.94 174.54 2gry s ILE 415 N 1.51 1.74 -0.01 2.92 1.01 0.69 -0.70 121.20 128.36 2gry s ILE 415 Ca 0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 2gry s ILE 415 Cb -0.15 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2gry s ILE 415 CO 0.03 0.45 0.59 -0.76 0.00 0.00 0.00 174.94 175.26 2gry s LEU 416 N 1.41 4.42 0.00 2.97 1.43 -0.13 -0.59 118.68 128.19 2gry s LEU 416 Ca 0.04 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2gry s LEU 416 Cb -0.13 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2gry s LEU 416 CO -0.11 0.10 -0.05 -0.13 0.23 0.00 0.00 176.35 176.40 2gry s ARG 417 N -0.19 0.36 0.00 1.70 0.52 -0.08 -0.47 118.95 120.79 2gry s ARG 417 Ca 0.31 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2gry s ARG 417 Cb -0.18 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 34.98 2gry s ARG 417 CO 0.17 0.08 0.00 -2.13 0.02 0.00 0.00 175.30 173.44 2gry n ARG 418 N 2.76 0.00 -2.30 3.54 3.00 0.89 -0.32 116.66 124.23 2gry n ARG 418 Ca -0.14 0.14 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 2gry n ARG 418 Cb 0.58 -0.57 0.02 0.00 0.00 0.00 0.00 32.46 32.50 2gry n ARG 418 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2gry n LYS 419 N -1.26 3.04 0.00 -0.14 4.76 -1.26 -4.60 118.16 118.70 2gry n LYS 419 Ca 0.00 -4.03 0.00 0.00 -2.87 0.00 0.00 58.31 51.41 2gry n LYS 419 Cb 0.00 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 2gry n LYS 419 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gry n GLY 420 N -0.62 2.17 3.76 0.72 0.00 -1.26 -5.06 105.19 104.90 2gry n GLY 420 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 2gry n GLY 420 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gry s LYS 421 N -0.73 4.62 0.02 1.61 0.00 -1.26 -5.01 119.74 118.99 2gry s LYS 421 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 55.97 56.90 2gry s LYS 421 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 37.83 34.47 2gry s LYS 421 CO 0.00 0.44 1.26 -1.17 0.00 0.00 0.00 175.35 175.88 2gry s LEU 422 N -0.72 4.33 -0.26 2.77 2.96 -1.26 -0.07 118.68 126.43 2gry s LEU 422 Ca 0.39 2.01 -0.04 0.00 -0.22 0.00 0.00 54.13 56.27 2gry s LEU 422 Cb -0.23 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.74 2gry s LEU 422 CO 0.27 -0.57 -0.27 1.57 -1.32 0.00 0.00 176.35 176.02 2gry n HIS 423 N 4.61 0.00 -3.61 5.38 -0.00 0.38 -4.85 115.22 117.12 2gry n HIS 423 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2gry n HIS 423 Cb 0.45 -0.97 -0.02 0.00 -0.00 0.00 0.00 29.99 29.46 2gry n HIS 423 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2gry s GLY 424 N -6.07 -0.36 -0.09 1.57 0.00 -1.17 -4.10 107.32 97.09 2gry s GLY 424 Ca -0.35 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 2gry s GLY 424 CO 0.54 0.22 0.19 1.25 0.00 0.00 0.00 173.10 175.31 2gry s LYS 425 N -3.02 0.12 -0.39 2.90 2.20 -1.15 -0.96 119.74 119.44 2gry s LYS 425 Ca 0.09 0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 56.08 2gry s LYS 425 Cb -0.00 -0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.18 2gry s LYS 425 CO -0.04 -0.21 0.24 0.12 -0.36 0.00 0.00 175.35 175.10 2gry s PHE 426 N 1.57 3.25 -0.16 4.03 2.19 0.12 -1.14 117.98 127.84 2gry s PHE 426 Ca -0.06 -0.90 -0.12 0.00 0.33 0.00 0.00 56.93 56.18 2gry s PHE 426 Cb -0.11 -2.52 -0.05 0.00 -1.31 0.00 0.00 43.02 39.03 2gry s PHE 426 CO -0.07 -0.65 0.24 -1.12 1.83 0.00 0.00 175.22 175.45 2gry s SER 427 N 1.63 6.39 -0.15 6.13 0.01 -0.18 -0.27 113.70 127.26 2gry s SER 427 Ca 0.03 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2gry s SER 427 Cb -0.19 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.91 2gry s SER 427 CO 0.07 0.16 -0.15 -0.76 0.41 0.00 0.00 173.24 172.97 2gry s LEU 428 N 0.24 1.77 -0.19 2.44 1.02 0.12 -2.00 118.68 122.08 2gry s LEU 428 Ca 0.14 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.76 2gry s LEU 428 Cb -0.12 -1.24 -0.00 0.00 0.02 0.00 0.00 46.19 44.85 2gry s LEU 428 CO 0.03 -0.04 -0.11 -0.63 0.02 0.00 0.00 176.35 175.61 2gry s ILE 429 N 1.44 2.89 -0.52 -0.59 1.09 0.13 -0.48 121.20 125.16 2gry s ILE 429 Ca 0.05 -0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 58.77 2gry s ILE 429 Cb -0.13 -2.27 0.10 0.00 -1.06 0.00 0.00 42.46 39.11 2gry s ILE 429 CO -0.11 0.48 0.49 -0.62 -0.10 0.00 0.00 174.94 175.08 2gry s ASP 430 N 1.20 6.18 0.64 3.58 2.15 0.21 -0.36 116.67 130.27 2gry s ASP 430 Ca 0.02 -1.56 -0.12 0.00 0.43 0.00 0.00 52.55 51.32 2gry s ASP 430 Cb -0.14 -2.21 -0.02 0.00 -0.30 0.00 0.00 42.92 40.24 2gry s ASP 430 CO -0.04 -0.81 1.04 -0.76 -0.17 0.00 0.00 175.17 174.43 2gry s LEU 431 N 1.76 3.25 0.54 -1.34 1.43 -0.80 -0.92 118.68 122.60 2gry s LEU 431 Ca 0.05 1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 54.51 2gry s LEU 431 Cb -0.27 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 2gry s LEU 431 CO 0.05 -1.15 1.24 0.00 0.23 0.00 0.00 176.35 176.72 2gry s ALA 432 N -2.99 2.77 0.15 4.21 0.00 -1.11 -4.77 121.76 120.02 2gry s ALA 432 Ca 0.58 1.08 -0.34 0.00 0.00 0.00 0.00 51.96 53.28 2gry s ALA 432 Cb -0.13 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 2gry s ALA 432 CO 0.51 -1.06 1.39 0.41 0.00 0.00 0.00 175.76 177.00 2gry n GLY 433 N 0.55 0.64 0.06 0.00 0.00 -0.81 -4.70 105.19 100.94 2gry n GLY 433 Ca 0.11 0.62 0.14 0.00 0.00 0.00 0.00 46.02 46.89 2gry n GLY 433 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gry n ASN 434 N 2.64 0.26 -4.77 1.61 6.94 -1.01 -4.88 115.26 116.05 2gry n ASN 434 Ca 0.16 -0.40 -0.40 0.00 -0.02 0.00 0.00 54.58 53.92 2gry n ASN 434 Cb 0.25 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 2gry n ASN 434 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2gry s GLU 435 N -2.51 4.32 -0.03 -3.83 1.03 -1.26 -4.99 118.70 111.42 2gry s GLU 435 Ca 0.29 2.02 -0.01 0.00 0.03 0.00 0.00 54.97 57.30 2gry s GLU 435 Cb 0.20 -2.98 0.03 0.00 -0.80 0.00 0.00 34.13 30.59 2gry s GLU 435 CO 0.47 -0.15 0.05 -0.98 -1.33 0.00 0.00 175.26 173.32 2gry s ARG 436 N -1.87 -0.05 0.00 -4.83 1.70 -1.26 -5.05 118.95 107.59 2gry s ARG 436 Ca 0.50 0.29 0.00 0.00 -0.47 0.00 0.00 55.73 56.06 2gry s ARG 436 Cb -0.35 -0.36 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 2gry s ARG 436 CO 0.46 -0.24 0.00 -0.40 -1.08 0.00 0.00 175.30 174.04 2gry n ASP 444 N 4.71 0.00 -0.12 -2.89 5.75 -1.26 -5.21 116.55 117.54 2gry n ASP 444 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.52 2gry n ASP 444 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 2gry n ASP 444 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2gry h ARG 445 N 0.00 0.52 -0.54 0.11 -0.00 -2.05 -1.35 114.38 111.06 2gry h ARG 445 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2gry h ARG 445 Cb 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.97 29.85 2gry h ARG 445 CO 0.00 0.48 0.29 0.37 -0.00 0.00 0.00 179.97 181.11 2gry h GLN 446 N 0.43 0.77 -0.76 0.08 5.75 -2.05 -0.44 115.11 118.89 2gry h GLN 446 Ca 0.12 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2gry h GLN 446 Cb 0.14 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2gry h GLN 446 CO -0.01 0.60 0.27 1.15 -2.65 0.00 0.00 178.83 178.19 2gry h THR 447 N 0.73 1.26 -0.20 2.39 2.02 -1.94 -1.65 112.91 115.51 2gry h THR 447 Ca 0.19 -0.86 -0.16 0.00 0.77 0.00 0.00 66.41 66.35 2gry h THR 447 Cb 0.07 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2gry h THR 447 CO -0.03 0.34 -0.55 0.03 0.37 0.00 0.00 175.52 175.68 2gry h ARG 448 N 1.12 0.61 -0.30 6.66 3.08 -1.04 -2.29 114.38 122.21 2gry h ARG 448 Ca 0.25 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2gry h ARG 448 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2gry h ARG 448 CO -0.01 1.00 0.18 1.25 -1.07 0.00 0.00 179.97 181.31 2gry h LEU 449 N 0.46 0.36 -0.78 3.04 5.85 -0.84 -0.26 115.31 123.15 2gry h LEU 449 Ca 0.01 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2gry h LEU 449 Cb 1.11 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2gry h LEU 449 CO 0.11 0.31 0.33 -0.33 -0.34 0.00 0.00 178.44 178.52 2gry h GLU 450 N 0.38 1.15 -0.06 1.25 5.08 -1.26 -0.73 114.58 120.39 2gry h GLU 450 Ca 0.11 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 2gry h GLU 450 Cb 0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2gry h GLU 450 CO -0.02 0.92 -0.75 0.78 -1.00 0.00 0.00 179.01 178.94 2gry h GLY 451 N 1.12 0.41 1.16 -3.84 0.00 -1.23 -0.54 103.07 100.15 2gry h GLY 451 Ca 0.26 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 2gry h GLY 451 CO -0.03 0.53 0.02 0.00 0.00 0.00 0.00 176.54 177.06 2gry h ALA 452 N 0.94 0.92 -0.22 3.60 0.00 -0.85 -1.69 119.26 121.97 2gry h ALA 452 Ca -0.03 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 2gry h ALA 452 Cb 1.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gry h ALA 452 CO 0.13 0.65 -0.47 0.93 0.00 0.00 0.00 179.25 180.49 2gry h GLU 453 N 0.93 0.70 0.26 0.00 4.39 -1.11 -0.58 114.58 119.17 2gry h GLU 453 Ca 0.17 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.41 2gry h GLU 453 Cb 0.52 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2gry h GLU 453 CO 0.03 1.09 -0.36 0.82 -1.16 0.00 0.00 179.01 179.42 2gry h ILE 454 N 0.41 0.26 -0.42 3.13 2.04 -1.08 -2.43 117.51 119.42 2gry h ILE 454 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 2gry h ILE 454 Cb 1.08 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2gry h ILE 454 CO 0.10 0.00 -0.13 0.78 0.00 0.00 0.00 178.15 178.91 2gry h ASN 455 N -0.68 0.75 -0.39 1.72 2.35 -1.34 -1.04 115.58 116.96 2gry h ASN 455 Ca -0.00 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 2gry h ASN 455 Cb 0.65 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 2gry h ASN 455 CO -0.13 0.90 -0.08 0.50 -1.65 0.00 0.00 177.43 176.97 2gry h LYS 456 N 0.69 0.02 0.00 0.81 3.64 -1.16 -2.11 116.57 118.46 2gry h LYS 456 Ca 0.11 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2gry h LYS 456 Cb 0.60 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2gry h LYS 456 CO 0.04 0.01 -0.41 0.66 -2.27 0.00 0.00 179.45 177.48 2gry h SER 457 N 0.02 0.00 0.74 4.20 4.64 -0.85 -1.84 113.55 120.45 2gry h SER 457 Ca 0.19 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 2gry h SER 457 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2gry h SER 457 CO -0.39 0.41 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.11 2gry h LEU 458 N 0.00 0.05 -0.30 5.97 3.38 -1.01 0.44 115.31 123.85 2gry h LEU 458 Ca -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2gry h LEU 458 Cb 0.74 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2gry h LEU 458 CO 0.05 0.83 0.02 -0.07 0.09 0.00 0.00 178.44 179.35 2gry h LEU 459 N 0.02 0.50 -0.61 1.67 3.38 -1.10 -2.75 115.31 116.43 2gry h LEU 459 Ca -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2gry h LEU 459 Cb 1.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2gry h LEU 459 CO 0.11 0.67 0.21 0.00 0.09 0.00 0.00 178.44 179.52 2gry h ALA 460 N 0.85 0.79 -0.47 1.53 0.00 -1.24 -2.15 119.26 118.57 2gry h ALA 460 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2gry h ALA 460 Cb 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2gry h ALA 460 CO 0.01 0.44 0.26 1.25 0.00 0.00 0.00 179.25 181.21 2gry h LEU 461 N 0.85 0.41 -0.17 0.00 5.85 -0.95 0.18 115.31 121.47 2gry h LEU 461 Ca 0.20 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2gry h LEU 461 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2gry h LEU 461 CO -0.01 0.29 0.09 0.50 -0.34 0.00 0.00 178.44 178.97 2gry h LYS 462 N 0.52 0.24 -0.91 1.25 3.64 -1.21 -0.07 116.57 120.04 2gry h LYS 462 Ca 0.19 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2gry h LYS 462 Cb 0.05 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2gry h LYS 462 CO -0.11 0.25 0.59 0.93 -2.27 0.00 0.00 179.45 178.84 2gry h GLU 463 N 0.18 1.11 -0.42 1.90 4.39 -1.18 -1.45 114.58 119.11 2gry h GLU 463 Ca 0.06 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2gry h GLU 463 Cb 0.08 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2gry h GLU 463 CO -0.01 0.73 -0.32 0.00 -1.16 0.00 0.00 179.01 178.25 2gry h ILE 465 N 0.80 1.24 -0.20 0.00 2.04 -0.95 -0.61 117.51 119.83 2gry h ILE 465 Ca 0.08 -1.06 -0.18 0.00 1.00 0.00 0.00 64.86 64.70 2gry h ILE 465 Cb 0.91 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2gry h ILE 465 CO 0.08 0.36 -0.60 0.03 0.00 0.00 0.00 178.15 178.03 2gry h ARG 466 N 0.67 0.66 -0.47 2.37 3.08 -1.08 -2.75 114.38 116.86 2gry h ARG 466 Ca 0.12 -0.44 0.02 0.00 0.07 0.00 0.00 59.98 59.75 2gry h ARG 466 Cb 0.50 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2gry h ARG 466 CO 0.03 1.06 0.28 0.00 -1.07 0.00 0.00 179.97 180.27 2gry h ALA 467 N 0.84 0.60 -0.97 0.04 0.00 -0.91 -0.87 119.26 117.98 2gry h ALA 467 Ca -0.00 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.09 2gry h ALA 467 Cb 1.17 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 2gry h ALA 467 CO 0.12 -0.03 0.56 1.25 0.00 0.00 0.00 179.25 181.16 2gry h LEU 468 N 0.56 0.69 -0.07 0.00 5.85 -0.99 0.47 115.31 121.82 2gry h LEU 468 Ca 0.19 0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.78 2gry h LEU 468 Cb 0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2gry h LEU 468 CO -0.08 0.21 -1.04 1.23 -0.34 0.00 0.00 178.44 178.42 2gry h GLY 469 N 0.68 0.25 0.00 3.75 0.00 -1.14 -3.42 103.07 103.18 2gry h GLY 469 Ca 0.57 -0.53 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 2gry h GLY 469 CO -0.41 0.46 -1.85 0.54 0.00 0.00 0.00 176.54 175.28 2gry n ARG 470 N -3.57 0.52 -2.72 4.80 3.00 -0.38 -5.00 116.66 113.32 2gry n ARG 470 Ca -0.05 0.08 -0.04 0.00 -0.01 0.00 0.00 57.85 57.82 2gry n ARG 470 Cb 0.91 -1.30 0.03 0.00 0.00 0.00 0.00 32.46 32.10 2gry n ARG 470 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2gry n ASN 471 N -2.90 -2.50 -0.22 0.55 2.85 0.16 -5.04 115.26 108.16 2gry n ASN 471 Ca -0.26 -2.24 0.12 0.00 -0.11 0.00 0.00 54.58 52.10 2gry n ASN 471 Cb 0.79 1.33 0.41 0.00 1.24 0.00 0.00 39.78 43.55 2gry n ASN 471 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2gry h LYS 472 N 4.37 0.60 -0.20 1.20 1.57 -1.71 -1.36 116.57 121.04 2gry h LYS 472 Ca -0.03 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2gry h LYS 472 Cb 1.13 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2gry h LYS 472 CO 0.00 0.40 0.17 -1.35 -0.57 0.00 0.00 179.45 178.10 2gry h PRO 473 N 0.62 0.00 -0.59 3.15 0.11 -1.93 -2.13 132.00 131.22 2gry h PRO 473 Ca 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 2gry h PRO 473 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 2gry h PRO 473 CO -0.16 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.35 2gry n HIS 474 N -4.13 2.06 -1.96 0.65 8.25 -0.52 -4.95 115.22 114.63 2gry n HIS 474 Ca 0.02 -0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 56.34 2gry n HIS 474 Cb 0.30 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 2gry n HIS 474 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2gry s THR 475 N -2.74 3.47 -0.55 1.59 2.01 -0.80 -4.90 115.64 113.71 2gry s THR 475 Ca 0.54 0.53 -0.07 0.00 0.31 0.00 0.00 61.69 62.99 2gry s THR 475 Cb 0.41 -3.48 -0.21 0.00 0.01 0.00 0.00 72.50 69.23 2gry s THR 475 CO 0.16 -0.21 3.38 -0.81 -0.69 0.00 0.00 174.62 176.45 2gry n PRO 476 N 7.85 2.56 0.20 4.92 -0.04 -1.26 -4.64 135.00 144.60 2gry n PRO 476 Ca 0.21 -1.40 0.14 0.00 -0.04 0.00 0.00 63.50 62.42 2gry n PRO 476 Cb 0.45 -2.27 0.68 0.00 -0.04 0.00 0.00 33.50 32.32 2gry n PRO 476 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2gry h PHE 477 N 3.72 0.00 -0.00 0.54 -0.00 -1.90 -0.76 116.94 118.53 2gry h PHE 477 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.39 2gry h PHE 477 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 2gry h PHE 477 CO 1.82 0.00 -0.09 0.54 -0.00 0.00 0.00 178.31 180.57 2gry n ARG 478 N -2.54 0.60 0.04 6.09 1.74 -1.26 -1.38 116.66 119.95 2gry n ARG 478 Ca -0.00 -0.17 0.06 0.00 -0.77 0.00 0.00 57.85 56.97 2gry n ARG 478 Cb 0.15 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.38 2gry n ARG 478 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gry n ALA 479 N -1.05 1.38 -3.58 7.54 0.00 -0.29 -4.81 120.51 119.69 2gry n ALA 479 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 2gry n ALA 479 Cb 0.27 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2gry n ALA 479 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gry s SER 480 N -3.33 -0.42 0.27 0.00 1.04 -1.25 -4.81 113.70 105.19 2gry s SER 480 Ca 0.03 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2gry s SER 480 Cb 0.06 0.60 0.37 0.00 0.10 0.00 0.00 66.02 67.15 2gry s SER 480 CO 0.19 -1.03 1.73 0.50 0.98 0.00 0.00 173.24 175.62 2gry h LYS 481 N 2.00 0.61 -0.18 4.02 1.63 -1.87 -1.55 116.57 121.22 2gry h LYS 481 Ca -0.27 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2gry h LYS 481 Cb 1.28 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2gry h LYS 481 CO 0.32 0.75 0.08 1.25 -3.45 0.00 0.00 179.45 178.40 2gry h LEU 482 N 0.55 0.25 0.00 5.20 5.85 -1.94 -2.50 115.31 122.72 2gry h LEU 482 Ca 0.09 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2gry h LEU 482 Cb 0.60 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2gry h LEU 482 CO 0.04 0.32 -0.57 0.71 -0.34 0.00 0.00 178.44 178.60 2gry h THR 483 N 0.16 0.97 -0.04 1.05 1.35 -1.76 -3.09 112.91 111.55 2gry h THR 483 Ca 0.06 -2.37 -0.01 0.00 -0.55 0.00 0.00 66.41 63.54 2gry h THR 483 Cb 0.14 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2gry h THR 483 CO -0.01 0.55 -0.00 -0.61 -0.25 0.00 0.00 175.52 175.20 2gry h GLN 484 N 0.00 0.08 -0.69 4.72 4.15 -0.16 0.10 115.11 123.31 2gry h GLN 484 Ca -0.01 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.43 2gry h GLN 484 Cb 1.44 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 2gry h GLN 484 CO 0.07 0.39 0.46 0.28 -1.93 0.00 0.00 178.83 178.10 2gry h VAL 485 N -0.24 1.06 -0.64 2.39 2.07 -1.52 -1.79 116.25 117.58 2gry h VAL 485 Ca 0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2gry h VAL 485 Cb 0.36 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2gry h VAL 485 CO 0.00 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.91 2gry n LEU 486 N -4.47 3.52 -0.20 2.57 4.77 -1.14 -4.66 117.00 117.39 2gry n LEU 486 Ca 0.09 -1.74 -0.01 0.00 -0.03 0.00 0.00 56.01 54.32 2gry n LEU 486 Cb 0.18 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2gry n LEU 486 CO 0.34 0.87 0.29 -1.14 -1.33 0.00 0.00 177.39 176.42 2gry n ARG 487 N 1.43 -0.13 0.00 3.23 0.63 0.35 -0.35 116.66 121.82 2gry n ARG 487 Ca 0.22 0.77 0.12 0.00 -0.92 0.00 0.00 57.85 58.04 2gry n ARG 487 Cb 0.56 -1.15 0.55 0.00 0.45 0.00 0.00 32.46 32.87 2gry n ARG 487 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2gry n ASP 488 N -4.73 0.00 -0.02 6.15 10.43 -1.26 -1.82 116.55 125.30 2gry n ASP 488 Ca 0.05 0.36 0.13 0.00 2.57 0.00 0.00 54.79 57.89 2gry n ASP 488 Cb 0.20 -0.45 0.34 0.00 1.84 0.00 0.00 41.12 43.05 2gry n ASP 488 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2gry n SER 489 N -1.45 0.44 -0.10 -2.24 7.64 0.52 -2.63 113.62 115.81 2gry n SER 489 Ca 0.07 -0.17 -0.12 0.00 1.01 0.00 0.00 58.87 59.66 2gry n SER 489 Cb 0.27 0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 2gry n SER 489 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2gry n PHE 490 N -1.43 0.00 0.30 1.43 3.72 -0.75 -4.55 117.46 116.19 2gry n PHE 490 Ca 0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.56 2gry n PHE 490 Cb 0.33 -0.83 -0.14 0.00 -0.94 0.00 0.00 39.48 37.91 2gry n PHE 490 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2gry n ILE 491 N -2.94 0.00 -1.66 4.37 -5.35 -0.98 -4.43 119.36 108.36 2gry n ILE 491 Ca -0.34 -0.31 -0.39 0.00 -0.27 0.00 0.00 62.75 61.44 2gry n ILE 491 Cb 0.96 0.37 0.04 0.00 -1.74 0.00 0.00 39.64 39.27 2gry n ILE 491 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gry n GLY 492 N 1.40 0.12 0.36 3.28 0.00 -1.08 -4.92 105.19 104.35 2gry n GLY 492 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2gry n GLY 492 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gry h GLU 493 N 1.06 1.07 -2.34 1.61 4.81 -1.94 -3.10 114.58 115.76 2gry h GLU 493 Ca -0.49 -0.06 -0.65 0.00 -0.13 0.00 0.00 59.36 58.03 2gry h GLU 493 Cb 1.34 -0.24 -0.39 0.00 0.63 0.00 0.00 28.75 30.09 2gry h GLU 493 CO 0.54 0.71 -0.25 -1.71 -0.73 0.00 0.00 179.01 177.57 2gry n ASN 494 N -4.55 4.65 -4.62 1.04 5.15 -1.26 -5.03 115.26 110.64 2gry n ASN 494 Ca 0.15 -3.51 -0.34 0.00 -0.60 0.00 0.00 54.58 50.28 2gry n ASN 494 Cb 0.21 -0.79 -0.10 0.00 -0.53 0.00 0.00 39.78 38.57 2gry n ASN 494 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2gry s SER 495 N -2.51 5.08 0.01 1.20 0.01 -1.17 -1.68 113.70 114.64 2gry s SER 495 Ca 0.40 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2gry s SER 495 Cb 0.16 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.83 2gry s SER 495 CO -0.03 0.31 -0.02 -0.13 0.41 0.00 0.00 173.24 173.78 2gry s ARG 496 N -0.45 0.15 0.07 12.44 0.52 -0.76 -4.98 118.95 125.94 2gry s ARG 496 Ca 0.08 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2gry s ARG 496 Cb -0.12 -0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.29 2gry s ARG 496 CO 0.02 -0.00 -0.07 -0.08 0.02 0.00 0.00 175.30 175.19 2gry s THR 497 N -0.48 0.57 -0.01 0.02 -1.32 0.10 -1.67 115.64 112.85 2gry s THR 497 Ca -0.05 -1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 58.90 2gry s THR 497 Cb -0.03 -1.16 0.01 0.00 -1.51 0.00 0.00 72.50 69.80 2gry s THR 497 CO -0.00 -0.66 0.03 0.00 -2.21 0.00 0.00 174.62 171.78 2gry s MET 499 N 0.24 2.64 -0.35 0.00 1.75 0.64 0.49 119.30 124.71 2gry s MET 499 Ca -0.02 -0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 53.62 2gry s MET 499 Cb -0.03 -2.10 0.04 0.00 2.84 0.00 0.00 34.83 35.58 2gry s MET 499 CO -0.01 0.05 0.13 0.42 -0.65 0.00 0.00 175.02 174.96 2gry s ILE 500 N 0.66 3.96 -0.43 10.11 1.01 0.87 -0.91 121.20 136.48 2gry s ILE 500 Ca -0.12 -1.08 -0.25 0.00 0.00 0.00 0.00 60.65 59.20 2gry s ILE 500 Cb -0.16 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2gry s ILE 500 CO 0.03 -0.20 0.89 0.00 0.00 0.00 0.00 174.94 175.66 2gry s ALA 501 N 1.44 3.30 -0.05 9.38 0.00 0.27 -0.59 121.76 135.51 2gry s ALA 501 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 2gry s ALA 501 Cb -0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2gry s ALA 501 CO 0.04 -1.89 0.35 0.95 0.00 0.00 0.00 175.76 175.21 2gry s THR 502 N 3.56 5.16 -0.02 0.00 -4.23 -0.07 -0.30 115.64 119.74 2gry s THR 502 Ca 0.35 0.70 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 2gry s THR 502 Cb -0.11 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2gry s THR 502 CO 0.23 0.54 -0.07 0.27 -0.54 0.00 0.00 174.62 175.06 2gry s ILE 503 N -0.76 0.59 0.31 2.99 -4.36 -0.17 -4.22 121.20 115.58 2gry s ILE 503 Ca 0.21 -0.27 -0.27 0.00 -0.26 0.00 0.00 60.65 60.06 2gry s ILE 503 Cb -0.15 -0.52 -0.10 0.00 1.25 0.00 0.00 42.46 42.94 2gry s ILE 503 CO 0.10 0.18 0.95 -0.44 0.24 0.00 0.00 174.94 175.98 2gry s SER 504 N 0.10 7.37 0.00 4.36 0.01 -1.26 -1.69 113.70 122.58 2gry s SER 504 Ca -0.01 1.87 0.26 0.00 1.31 0.00 0.00 55.95 59.38 2gry s SER 504 Cb -0.06 -2.59 0.72 0.00 0.21 0.00 0.00 66.02 64.31 2gry s SER 504 CO -0.00 -0.05 1.55 -0.81 0.41 0.00 0.00 173.24 174.34 2gry n PRO 505 N 0.70 0.64 -2.46 12.44 -0.04 -1.26 -4.84 135.00 140.19 2gry n PRO 505 Ca 0.01 -0.37 -0.37 0.00 -0.04 0.00 0.00 63.50 62.74 2gry n PRO 505 Cb 0.49 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2gry n PRO 505 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2gry s GLY 506 N -2.61 2.74 0.27 0.55 0.00 -1.26 -0.35 107.32 106.66 2gry s GLY 506 Ca 0.22 0.77 -0.00 0.00 0.00 0.00 0.00 44.72 45.70 2gry s GLY 506 CO 0.56 1.20 1.84 1.98 0.00 0.00 0.00 173.10 178.68 2gry h MET 507 N 2.33 0.97 0.00 2.90 4.05 -1.68 -1.82 114.93 121.69 2gry h MET 507 Ca -0.49 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 58.81 2gry h MET 507 Cb 1.22 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 2gry h MET 507 CO 0.62 0.64 -0.30 0.00 0.23 0.00 0.00 176.91 178.09 2gry h ALA 508 N 1.51 1.39 -0.00 0.39 0.00 -1.92 -2.13 119.26 118.50 2gry h ALA 508 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2gry h ALA 508 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gry h ALA 508 CO -0.25 0.38 -0.06 0.43 0.00 0.00 0.00 179.25 179.75 2gry n SER 509 N -4.02 0.19 -0.20 0.00 7.64 -0.71 -4.60 113.62 111.91 2gry n SER 509 Ca -0.02 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2gry n SER 509 Cb 0.36 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.44 2gry n SER 509 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gry h GLU 511 N 0.05 0.73 -0.75 0.00 4.81 -1.82 -0.83 114.58 116.77 2gry h GLU 511 Ca 0.31 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2gry h GLU 511 Cb 0.49 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2gry h GLU 511 CO -0.58 0.48 0.42 -0.91 -0.73 0.00 0.00 179.01 177.69 2gry h ASN 512 N 0.75 0.92 -0.16 1.04 2.35 -1.66 -0.85 115.58 117.98 2gry h ASN 512 Ca 0.22 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2gry h ASN 512 Cb -0.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2gry h ASN 512 CO -0.06 0.74 0.09 0.74 -1.65 0.00 0.00 177.43 177.29 2gry h THR 513 N 1.03 1.01 -0.46 2.81 2.02 -0.75 -1.77 112.91 116.80 2gry h THR 513 Ca 0.26 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2gry h THR 513 Cb 0.01 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2gry h THR 513 CO -0.04 0.03 0.29 -0.07 0.37 0.00 0.00 175.52 176.10 2gry h LEU 514 N 0.18 0.49 -0.99 2.58 3.38 -0.77 -0.85 115.31 119.33 2gry h LEU 514 Ca 0.06 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2gry h LEU 514 Cb -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 2gry h LEU 514 CO -0.03 0.35 0.61 0.78 0.09 0.00 0.00 178.44 180.24 2gry h ASN 515 N 0.59 0.89 -0.35 -0.43 2.35 -1.06 0.54 115.58 118.11 2gry h ASN 515 Ca 0.17 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2gry h ASN 515 Cb -0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2gry h ASN 515 CO -0.06 0.47 0.02 0.74 -1.65 0.00 0.00 177.43 176.95 2gry h THR 516 N 0.96 1.25 -0.45 2.81 2.02 -0.66 -2.19 112.91 116.66 2gry h THR 516 Ca 0.49 -0.94 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 2gry h THR 516 Cb 0.50 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2gry h THR 516 CO -0.27 0.31 -0.22 -0.07 0.37 0.00 0.00 175.52 175.64 2gry h LEU 517 N 0.43 0.97 -0.23 2.58 3.38 -0.89 -0.99 115.31 120.56 2gry h LEU 517 Ca 0.10 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2gry h LEU 517 Cb 0.43 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2gry h LEU 517 CO 0.01 1.16 -0.04 0.03 0.09 0.00 0.00 178.44 179.69 2gry h ARG 518 N 0.78 0.02 -0.41 1.13 3.08 -0.91 0.26 114.38 118.33 2gry h ARG 518 Ca 0.10 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2gry h ARG 518 Cb 0.80 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2gry h ARG 518 CO 0.07 0.01 0.15 -0.92 -1.07 0.00 0.00 179.97 178.21 2gry h TYR 519 N 0.02 0.64 -0.54 3.04 3.20 -1.31 -2.58 116.97 119.43 2gry h TYR 519 Ca 0.11 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2gry h TYR 519 Cb 0.16 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2gry h TYR 519 CO -0.23 0.57 -0.03 0.00 -1.64 0.00 0.00 178.16 176.84 2gry h ALA 520 N 1.00 0.93 0.00 1.82 0.00 -0.93 -2.08 119.26 119.99 2gry h ALA 520 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gry h ALA 520 Cb 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2gry h ALA 520 CO -0.01 0.64 -0.02 -0.97 0.00 0.00 0.00 179.25 178.89 2gry h ASN 521 N 0.87 0.00 -0.57 0.00 -1.24 -0.36 -3.04 115.58 111.24 2gry h ASN 521 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2gry h ASN 521 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2gry h ASN 521 CO 0.03 0.02 0.00 0.54 -1.29 0.00 0.00 177.43 176.73 2gry n ARG 522 N -3.50 2.63 0.00 6.67 1.74 -0.79 -5.08 116.66 118.33 2gry n ARG 522 Ca -0.03 -2.45 0.12 0.00 -0.77 0.00 0.00 57.85 54.72 2gry n ARG 522 Cb 0.11 -1.51 0.15 0.00 -1.02 0.00 0.00 32.46 30.18 2gry n ARG 522 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39