#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djx s LYS 159 N 0.00 0.54 0.38 3.52 1.02 -1.26 -4.29 119.74 119.65 1djx s LYS 159 Ca 0.00 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 57.08 1djx s LYS 159 Cb 0.00 0.77 -0.09 0.00 -0.52 0.00 0.00 37.83 37.99 1djx s LYS 159 CO 0.00 -0.18 1.03 1.41 -0.92 0.00 0.00 175.35 176.69 1djx s MET 160 N 2.76 4.25 0.06 1.68 1.75 0.38 -4.60 119.30 125.58 1djx s MET 160 Ca -0.06 1.47 0.06 0.00 -1.25 0.00 0.00 55.69 55.92 1djx s MET 160 Cb -0.11 -2.59 -0.04 0.00 2.84 0.00 0.00 34.83 34.94 1djx s MET 160 CO -0.19 -0.06 -0.12 -0.80 -0.65 0.00 0.00 175.02 173.20 1djx s ASN 161 N -1.58 4.23 0.40 1.11 0.01 -1.26 0.30 114.94 118.15 1djx s ASN 161 Ca 0.56 -0.35 0.29 0.00 -0.71 0.00 0.00 52.86 52.66 1djx s ASN 161 Cb -0.21 -0.81 1.01 0.00 0.41 0.00 0.00 41.25 41.64 1djx s ASN 161 CO 0.27 0.23 1.01 0.33 -1.51 0.00 0.00 177.10 177.43 1djx n PHE 162 N 1.19 0.00 0.03 2.20 7.35 -1.26 0.63 117.46 127.60 1djx n PHE 162 Ca -0.15 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.43 1djx n PHE 162 Cb 0.52 -0.29 -0.09 0.00 0.35 0.00 0.00 39.48 39.98 1djx n PHE 162 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1djx h LYS 163 N 0.00 -0.15 0.00 -4.13 1.57 -1.95 0.25 116.57 112.17 1djx h LYS 163 Ca 0.55 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1djx h LYS 163 Cb 2.42 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.76 1djx h LYS 163 CO -0.01 0.35 0.00 -0.85 -0.57 0.00 0.00 179.45 178.37 1djx n GLU 164 N -4.88 0.09 -0.04 3.15 0.28 0.21 -0.84 120.64 118.60 1djx n GLU 164 Ca -0.08 0.44 -0.01 0.00 -0.16 0.00 0.00 57.16 57.35 1djx n GLU 164 Cb 0.28 -1.72 -0.00 0.00 1.43 0.00 0.00 31.44 31.43 1djx n GLU 164 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1djx h LEU 165 N 0.00 0.00 -1.85 -1.84 -0.00 -1.05 0.21 115.31 110.78 1djx h LEU 165 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 57.88 58.18 1djx h LEU 165 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.79 1djx h LEU 165 CO 0.00 0.43 0.75 0.11 -0.00 0.00 0.00 178.44 179.73 1djx h LYS 166 N -0.80 0.09 0.00 1.13 1.79 -0.12 -0.81 116.57 117.86 1djx h LYS 166 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1djx h LYS 166 Cb 0.06 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1djx h LYS 166 CO 0.00 0.06 0.00 -3.47 -1.08 0.00 0.00 179.45 174.96 1djx n ASP 167 N -4.31 0.00 -0.18 0.86 2.03 -0.02 -3.50 116.55 111.42 1djx n ASP 167 Ca 0.23 0.31 0.17 0.00 0.52 0.00 0.00 54.79 56.02 1djx n ASP 167 Cb 1.07 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.78 1djx n ASP 167 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1djx n PHE 168 N -0.36 0.63 0.35 -0.67 -0.00 0.06 -0.61 117.46 116.85 1djx n PHE 168 Ca 0.00 0.68 -0.16 0.00 -0.00 0.00 0.00 57.45 57.97 1djx n PHE 168 Cb 0.00 -1.09 -0.08 0.00 -0.00 0.00 0.00 39.48 38.31 1djx n PHE 168 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1djx h LEU 169 N 0.00 -1.03 -0.93 -2.13 3.38 -1.29 -2.74 115.31 110.56 1djx h LEU 169 Ca 0.47 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.77 1djx h LEU 169 Cb 1.20 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 42.11 1djx h LEU 169 CO -0.45 -0.62 0.36 0.11 0.09 0.00 0.00 178.44 177.93 1djx h LYS 170 N -0.98 0.23 -1.21 1.13 1.57 -0.90 -0.43 116.57 115.97 1djx h LYS 170 Ca -0.09 -0.01 0.35 0.00 -1.87 0.00 0.00 60.65 59.03 1djx h LYS 170 Cb 0.79 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1djx h LYS 170 CO 0.08 0.15 0.95 1.49 -0.57 0.00 0.00 179.45 181.54 1djx h GLU 171 N 0.23 0.00 -0.27 3.15 4.81 -1.34 0.65 114.58 121.81 1djx h GLU 171 Ca 0.63 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 1djx h GLU 171 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1djx h GLU 171 CO -0.66 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 178.90 1djx n LEU 172 N -3.97 3.31 0.00 1.64 4.32 -0.18 -4.95 117.00 117.16 1djx n LEU 172 Ca 0.26 -2.54 0.00 0.00 -0.02 0.00 0.00 56.01 53.71 1djx n LEU 172 Cb 1.34 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.76 1djx n LEU 172 CO 0.38 0.69 0.00 0.59 -1.22 0.00 0.00 177.39 177.83 1djx n ASN 173 N -0.13 0.00 -4.55 -1.43 4.13 0.23 -4.94 115.26 108.57 1djx n ASN 173 Ca 0.16 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.12 1djx n ASN 173 Cb 0.65 -0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 38.31 1djx n ASN 173 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1djx s ILE 174 N -3.16 3.02 -0.59 2.41 1.01 -1.14 -4.76 121.20 117.98 1djx s ILE 174 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 1djx s ILE 174 Cb 0.00 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 1djx s ILE 174 CO 0.00 -0.05 2.43 1.67 0.00 0.00 0.00 174.94 178.99 1djx n GLN 175 N 8.97 0.86 -1.70 2.79 0.00 -1.26 -3.81 117.38 123.23 1djx n GLN 175 Ca 0.39 -0.24 -0.55 0.00 -0.00 0.00 0.00 57.00 56.60 1djx n GLN 175 Cb 0.52 -3.43 -0.06 0.00 0.00 0.00 0.00 30.24 27.26 1djx n GLN 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1djx n VAL 176 N 8.18 0.37 -1.41 1.69 0.31 -1.26 -4.80 118.33 121.41 1djx n VAL 176 Ca 0.41 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 64.34 1djx n VAL 176 Cb 0.50 -1.40 0.09 0.00 -0.91 0.00 0.00 33.84 32.11 1djx n VAL 176 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1djx s ASP 177 N 3.54 4.33 1.05 4.52 1.11 -1.26 -5.01 116.67 124.96 1djx s ASP 177 Ca 0.96 2.16 -0.12 0.00 0.18 0.00 0.00 52.55 55.73 1djx s ASP 177 Cb -0.95 -2.57 0.22 0.00 1.07 0.00 0.00 42.92 40.69 1djx s ASP 177 CO 0.61 -2.16 1.07 1.51 1.18 0.00 0.00 175.17 177.38 1djx s ASP 178 N -2.46 1.96 0.00 0.27 -4.77 -1.26 -3.87 116.67 106.54 1djx s ASP 178 Ca 0.69 1.61 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 1djx s ASP 178 Cb -0.24 -2.29 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1djx s ASP 178 CO 0.47 -3.61 0.00 0.61 0.70 0.00 0.00 175.17 173.35 1djx n GLY 179 N 0.14 0.00 1.82 2.12 0.00 -1.26 -3.14 105.19 104.87 1djx n GLY 179 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1djx n GLY 179 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1djx n TYR 180 N 0.00 -0.11 0.02 1.61 9.36 -1.26 -4.49 117.16 122.30 1djx n TYR 180 Ca 0.00 0.02 0.18 0.00 3.32 0.00 0.00 57.90 61.42 1djx n TYR 180 Cb 0.00 0.42 0.66 0.00 -0.63 0.00 0.00 39.34 39.79 1djx n TYR 180 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1djx h ALA 181 N 0.00 2.40 0.05 2.98 0.00 -1.65 0.11 119.26 123.14 1djx h ALA 181 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1djx h ALA 181 Cb 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1djx h ALA 181 CO 0.00 -0.53 -1.52 -0.09 0.00 0.00 0.00 179.25 177.11 1djx h ARG 182 N 0.04 0.11 0.24 0.00 1.12 -1.85 -2.40 114.38 111.65 1djx h ARG 182 Ca 0.23 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 1djx h ARG 182 Cb 0.85 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 1djx h ARG 182 CO -0.01 0.87 -0.12 -0.22 -3.11 0.00 0.00 179.97 177.39 1djx h LYS 183 N 0.03 -0.31 -0.05 0.20 3.64 -1.20 0.69 116.57 119.57 1djx h LYS 183 Ca -0.22 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1djx h LYS 183 Cb 1.96 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 1djx h LYS 183 CO 0.12 -0.17 -0.21 0.82 -2.27 0.00 0.00 179.45 177.74 1djx h ILE 184 N -0.38 1.17 0.06 2.00 5.03 -1.02 0.32 117.51 124.70 1djx h ILE 184 Ca -0.03 -0.81 -0.00 0.00 -0.12 0.00 0.00 64.86 63.89 1djx h ILE 184 Cb 0.29 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.46 1djx h ILE 184 CO 0.05 0.24 -0.03 0.15 -0.68 0.00 0.00 178.15 177.88 1djx h PHE 185 N 0.07 -0.08 -0.93 1.37 3.57 -0.89 -2.39 116.94 117.66 1djx h PHE 185 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1djx h PHE 185 Cb 0.41 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1djx h PHE 185 CO 0.00 0.08 0.61 0.00 -2.23 0.00 0.00 178.31 176.77 1djx h ARG 186 N -0.22 1.19 0.00 1.11 -0.00 -0.06 -1.48 114.38 114.92 1djx h ARG 186 Ca -0.01 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.98 59.37 1djx h ARG 186 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 29.97 29.89 1djx h ARG 186 CO 0.01 0.79 -0.13 0.93 0.00 0.00 0.00 179.97 181.57 1djx h GLU 187 N 1.22 0.00 0.00 0.04 5.08 -0.80 -2.23 114.58 117.90 1djx h GLU 187 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1djx h GLU 187 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1djx h GLU 187 CO -0.09 0.13 -0.48 0.00 -1.00 0.00 0.00 179.01 177.56 1djx s ASP 189 N -4.21 6.55 0.14 0.00 2.15 -0.84 -4.75 116.67 115.72 1djx s ASP 189 Ca 0.07 -1.98 -0.13 0.00 0.43 0.00 0.00 52.55 50.95 1djx s ASP 189 Cb 0.13 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1djx s ASP 189 CO 0.69 -1.02 1.58 0.45 -0.17 0.00 0.00 175.17 176.69 1djx h HIS 190 N 8.77 0.94 0.00 -5.34 3.86 -1.85 -3.09 115.15 118.44 1djx h HIS 190 Ca 0.05 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1djx h HIS 190 Cb 1.04 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 1djx h HIS 190 CO 1.08 0.91 -0.05 0.66 0.86 0.00 0.00 177.93 181.40 1djx h SER 191 N 0.69 0.00 -0.04 2.45 4.64 -1.91 -3.46 113.55 115.93 1djx h SER 191 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1djx h SER 191 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1djx h SER 191 CO 0.03 0.05 -0.02 0.00 -0.87 0.00 0.00 176.83 176.02 1djx n GLN 192 N -3.51 -0.56 0.00 4.77 1.13 -1.17 -4.89 117.38 113.15 1djx n GLN 192 Ca -0.02 0.23 0.15 0.00 -1.94 0.00 0.00 57.00 55.42 1djx n GLN 192 Cb 0.16 -3.72 0.79 0.00 0.11 0.00 0.00 30.24 27.58 1djx n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1djx n THR 193 N -2.73 0.00 -2.35 5.09 -2.24 -1.26 -4.90 114.28 105.89 1djx n THR 193 Ca -0.01 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1djx n THR 193 Cb 0.15 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1djx n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djx n ASP 194 N -0.78 -5.72 -4.02 3.42 9.92 -1.26 -4.97 116.55 113.15 1djx n ASP 194 Ca 0.20 0.04 -0.23 0.00 -0.53 0.00 0.00 54.79 54.27 1djx n ASP 194 Cb 0.20 -4.78 -0.16 0.00 -0.64 0.00 0.00 41.12 35.74 1djx n ASP 194 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1djx s SER 195 N -2.09 1.55 -0.36 -2.24 0.01 -1.26 -4.29 113.70 105.01 1djx s SER 195 Ca 0.00 -0.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.86 1djx s SER 195 Cb 0.00 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.64 1djx s SER 195 CO 0.00 0.05 0.33 -0.76 0.41 0.00 0.00 173.24 173.27 1djx s LEU 196 N 0.44 4.60 0.65 2.44 1.43 0.87 -4.86 118.68 124.26 1djx s LEU 196 Ca -0.09 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1djx s LEU 196 Cb -0.13 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1djx s LEU 196 CO 0.02 -0.35 1.04 -1.61 0.23 0.00 0.00 176.35 175.68 1djx s GLU 197 N 1.90 3.36 0.00 1.70 8.01 -1.26 -0.47 118.70 131.94 1djx s GLU 197 Ca 0.09 0.77 0.00 0.00 0.01 0.00 0.00 54.97 55.84 1djx s GLU 197 Cb -0.17 -2.05 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 1djx s GLU 197 CO 0.11 -0.74 0.00 -3.47 0.01 0.00 0.00 175.26 171.17 1djx n ASP 198 N -2.87 0.00 -0.24 -0.19 2.03 -1.26 -2.09 116.55 111.93 1djx n ASP 198 Ca 0.06 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.40 1djx n ASP 198 Cb 0.54 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.09 1djx n ASP 198 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1djx h GLU 199 N 0.00 0.53 -0.14 -0.67 4.81 -1.98 -2.10 114.58 115.02 1djx h GLU 199 Ca 0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1djx h GLU 199 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1djx h GLU 199 CO 0.00 0.35 0.09 0.93 -0.73 0.00 0.00 179.01 179.65 1djx h GLU 200 N 0.54 0.11 -0.15 1.92 5.08 -1.72 -0.28 114.58 120.08 1djx h GLU 200 Ca 0.36 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1djx h GLU 200 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1djx h GLU 200 CO -0.31 0.07 0.08 0.82 -1.00 0.00 0.00 179.01 178.67 1djx h ILE 201 N 0.11 1.00 0.41 3.13 1.08 -0.92 0.88 117.51 123.20 1djx h ILE 201 Ca 0.06 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1djx h ILE 201 Cb 0.10 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1djx h ILE 201 CO -0.01 0.03 -0.50 -0.33 -0.69 0.00 0.00 178.15 176.65 1djx h GLU 202 N 0.17 -0.90 -0.93 2.37 5.08 -1.07 0.24 114.58 119.53 1djx h GLU 202 Ca 0.06 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.71 1djx h GLU 202 Cb 0.01 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 1djx h GLU 202 CO -0.04 -0.60 0.46 1.15 -1.00 0.00 0.00 179.01 178.98 1djx h THR 203 N -0.93 0.51 0.64 1.13 2.02 -1.02 0.11 112.91 115.37 1djx h THR 203 Ca -0.05 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1djx h THR 203 Cb 0.84 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1djx h THR 203 CO -0.12 0.09 -0.31 0.15 0.37 0.00 0.00 175.52 175.70 1djx h PHE 204 N 0.47 -0.80 -0.75 3.16 3.57 0.23 -0.13 116.94 122.69 1djx h PHE 204 Ca 0.58 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.14 1djx h PHE 204 Cb 1.09 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 1djx h PHE 204 CO -0.09 -0.47 0.49 -0.92 -2.23 0.00 0.00 178.31 175.09 1djx h TYR 205 N -0.93 0.78 -0.02 0.41 3.20 0.79 -1.93 116.97 119.26 1djx h TYR 205 Ca -0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1djx h TYR 205 Cb 0.68 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1djx h TYR 205 CO -0.02 0.40 -0.01 0.87 -1.64 0.00 0.00 178.16 177.76 1djx h LYS 206 N 0.76 0.04 -0.17 1.82 1.57 -0.69 0.16 116.57 120.05 1djx h LYS 206 Ca 0.33 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1djx h LYS 206 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1djx h LYS 206 CO -0.11 0.46 0.28 0.52 -0.57 0.00 0.00 179.45 180.03 1djx h MET 207 N -0.38 0.00 0.04 3.15 2.86 -0.54 0.66 114.93 120.72 1djx h MET 207 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1djx h MET 207 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1djx h MET 207 CO 0.00 0.00 -0.83 1.25 1.06 0.00 0.00 176.91 178.40 1djx h LEU 208 N 0.00 0.15 -1.16 1.22 5.85 -0.72 -3.39 115.31 117.25 1djx h LEU 208 Ca 0.08 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1djx h LEU 208 Cb 0.64 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1djx h LEU 208 CO -0.00 1.35 -0.21 0.35 -0.34 0.00 0.00 178.44 179.58 1djx n THR 209 N -4.33 0.00 -2.06 1.05 -2.24 0.49 -4.96 114.28 102.22 1djx n THR 209 Ca -0.21 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1djx n THR 209 Cb 0.68 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1djx n THR 209 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1djx s GLN 210 N -2.26 4.28 -0.65 -0.78 0.74 0.14 -4.98 119.66 116.14 1djx s GLN 210 Ca 0.26 2.22 -0.05 0.00 0.05 0.00 0.00 55.36 57.84 1djx s GLN 210 Cb 0.19 -3.18 0.17 0.00 1.10 0.00 0.00 33.01 31.29 1djx s GLN 210 CO 0.44 -0.47 0.49 1.03 -0.55 0.00 0.00 175.29 176.24 1djx s ARG 211 N 0.64 2.73 0.26 1.67 0.52 -1.26 -4.95 118.95 118.56 1djx s ARG 211 Ca 0.64 -2.51 -0.01 0.00 -0.52 0.00 0.00 55.73 53.33 1djx s ARG 211 Cb -0.40 -3.85 0.53 0.00 0.52 0.00 0.00 34.95 31.75 1djx s ARG 211 CO 0.34 -1.19 1.75 0.00 0.02 0.00 0.00 175.30 176.22 1djx h ALA 212 N 7.17 1.23 -0.49 2.13 0.00 -1.98 0.17 119.26 127.49 1djx h ALA 212 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1djx h ALA 212 Cb 0.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1djx h ALA 212 CO 0.72 -0.13 0.33 1.05 0.00 0.00 0.00 179.25 181.21 1djx h GLU 213 N 0.57 0.59 -0.08 0.00 9.09 -1.99 0.45 114.58 123.20 1djx h GLU 213 Ca 0.46 -0.04 -0.23 0.00 0.05 0.00 0.00 59.36 59.60 1djx h GLU 213 Cb 0.67 -0.13 0.01 0.00 -1.65 0.00 0.00 28.75 27.64 1djx h GLU 213 CO -0.38 0.39 -0.85 0.82 0.05 0.00 0.00 179.01 179.04 1djx h ILE 214 N 0.61 1.31 0.24 -1.06 1.08 -1.14 -1.74 117.51 116.81 1djx h ILE 214 Ca 0.19 -2.13 -0.01 0.00 -0.39 0.00 0.00 64.86 62.52 1djx h ILE 214 Cb 0.01 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1djx h ILE 214 CO -0.04 0.66 -0.12 0.44 -0.69 0.00 0.00 178.15 178.39 1djx h ASP 215 N 0.41 -0.30 -0.35 1.72 3.32 0.20 0.60 116.42 122.03 1djx h ASP 215 Ca -0.07 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1djx h ASP 215 Cb 1.47 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 1djx h ASP 215 CO 0.16 -0.21 0.17 -0.09 -1.72 0.00 0.00 179.24 177.55 1djx h ARG 216 N -0.34 0.34 -0.65 3.56 2.43 -0.15 -0.00 114.38 119.57 1djx h ARG 216 Ca -0.03 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1djx h ARG 216 Cb 0.27 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1djx h ARG 216 CO 0.05 0.23 0.41 0.00 -1.51 0.00 0.00 179.97 179.15 1djx h ALA 217 N 1.18 0.83 -0.03 2.80 0.00 -1.02 0.33 119.26 123.37 1djx h ALA 217 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1djx h ALA 217 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1djx h ALA 217 CO -0.11 0.20 0.00 0.35 0.00 0.00 0.00 179.25 179.69 1djx h PHE 218 N 0.83 0.01 -0.27 0.00 3.57 -0.21 -1.93 116.94 118.93 1djx h PHE 218 Ca 0.25 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1djx h PHE 218 Cb -0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1djx h PHE 218 CO -0.04 0.00 0.17 1.05 -2.23 0.00 0.00 178.31 177.26 1djx h GLU 219 N 0.01 0.33 -0.35 1.11 4.11 -0.57 0.17 114.58 119.40 1djx h GLU 219 Ca 0.01 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.52 1djx h GLU 219 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1djx h GLU 219 CO -0.02 0.22 0.26 0.93 0.07 0.00 0.00 179.01 180.47 1djx h GLU 220 N 0.34 0.00 0.12 1.06 5.08 -0.79 0.12 114.58 120.51 1djx h GLU 220 Ca 0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1djx h GLU 220 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1djx h GLU 220 CO -0.04 0.00 -0.84 0.00 -1.00 0.00 0.00 179.01 177.13 1djx h ALA 221 N 1.81 -0.02 0.00 3.43 0.00 -0.44 -3.37 119.26 120.68 1djx h ALA 221 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1djx h ALA 221 Cb 0.68 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1djx h ALA 221 CO -0.00 0.43 -0.54 0.00 0.00 0.00 0.00 179.25 179.14 1djx h ALA 222 N 0.03 0.69 -0.48 0.00 0.00 -0.09 -3.46 119.26 115.95 1djx h ALA 222 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1djx h ALA 222 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1djx h ALA 222 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1djx n GLY 223 N 1.24 1.80 0.26 0.00 0.00 0.37 -3.28 105.19 105.57 1djx n GLY 223 Ca 0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1djx n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1djx h SER 224 N 2.91 0.83 -3.12 1.61 4.64 -1.96 -3.46 113.55 115.00 1djx h SER 224 Ca 0.00 -0.25 -0.52 0.00 -0.47 0.00 0.00 61.79 60.55 1djx h SER 224 Cb 0.00 -0.22 0.22 0.00 -0.31 0.00 0.00 62.40 62.09 1djx h SER 224 CO 0.00 0.87 -0.77 0.00 -0.87 0.00 0.00 176.83 176.06 1djx n ALA 225 N -2.41 -3.08 0.16 5.18 0.00 -1.21 -4.91 120.51 114.26 1djx n ALA 225 Ca 0.02 -0.72 0.10 0.00 0.00 0.00 0.00 53.44 52.83 1djx n ALA 225 Cb 0.25 -1.70 0.19 0.00 0.00 0.00 0.00 19.45 18.19 1djx n ALA 225 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1djx n GLU 226 N -1.40 2.30 -3.98 0.00 1.02 -1.26 -4.90 120.64 112.43 1djx n GLU 226 Ca 0.05 -2.11 -0.09 0.00 -0.02 0.00 0.00 57.16 54.99 1djx n GLU 226 Cb 0.55 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 1djx n GLU 226 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1djx s THR 227 N -1.25 0.10 -0.22 2.62 -4.23 -1.26 -4.52 115.64 106.88 1djx s THR 227 Ca 0.32 -1.46 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1djx s THR 227 Cb 0.19 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1djx s THR 227 CO 0.26 -0.45 0.10 -0.76 -0.54 0.00 0.00 174.62 173.23 1djx s LEU 228 N -2.96 3.86 0.46 4.79 1.43 0.22 -4.80 118.68 121.69 1djx s LEU 228 Ca 0.15 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1djx s LEU 228 Cb 0.05 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1djx s LEU 228 CO -0.03 0.09 0.75 -0.94 0.23 0.00 0.00 176.35 176.46 1djx s SER 229 N 0.86 6.28 0.29 2.29 1.04 -1.26 0.48 113.70 123.67 1djx s SER 229 Ca 0.05 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.40 1djx s SER 229 Cb -0.13 -2.22 0.75 0.00 0.10 0.00 0.00 66.02 64.52 1djx s SER 229 CO 0.03 -0.53 1.69 0.58 0.98 0.00 0.00 173.24 175.98 1djx h VAL 230 N 0.33 0.45 0.00 5.02 2.07 -1.93 0.40 116.25 122.59 1djx h VAL 230 Ca -0.47 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 1djx h VAL 230 Cb 1.21 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1djx h VAL 230 CO 0.62 0.07 -0.66 -0.33 0.02 0.00 0.00 177.57 177.28 1djx h GLU 231 N 0.38 0.00 -0.17 1.57 3.07 -1.93 0.33 114.58 117.84 1djx h GLU 231 Ca 0.57 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.25 1djx h GLU 231 Cb 1.11 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1djx h GLU 231 CO -0.54 0.66 -0.62 0.00 -1.40 0.00 0.00 179.01 177.11 1djx h ARG 232 N 0.00 0.71 -0.22 2.33 2.47 -0.99 -1.68 114.38 117.01 1djx h ARG 232 Ca -0.01 -0.55 -0.01 0.00 -1.26 0.00 0.00 59.98 58.16 1djx h ARG 232 Cb 1.18 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 1djx h ARG 232 CO 0.09 1.16 0.10 1.25 0.56 0.00 0.00 179.97 183.13 1djx h LEU 233 N 0.42 0.29 -1.18 3.04 5.85 0.03 0.30 115.31 124.05 1djx h LEU 233 Ca -0.03 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1djx h LEU 233 Cb 1.25 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1djx h LEU 233 CO 0.13 0.33 0.56 0.58 -0.34 0.00 0.00 178.44 179.70 1djx h VAL 234 N 0.22 1.17 -0.58 1.05 2.07 -0.35 0.15 116.25 119.98 1djx h VAL 234 Ca 0.08 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1djx h VAL 234 Cb 0.12 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1djx h VAL 234 CO -0.01 0.20 0.03 0.74 0.02 0.00 0.00 177.57 178.55 1djx h THR 235 N 1.09 1.26 -0.20 2.57 2.02 -0.40 -2.48 112.91 116.77 1djx h THR 235 Ca 0.33 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1djx h THR 235 Cb -0.03 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1djx h THR 235 CO -0.09 0.39 0.12 0.15 0.37 0.00 0.00 175.52 176.47 1djx h PHE 236 N 0.90 0.26 -0.72 3.16 3.57 0.40 0.13 116.94 124.64 1djx h PHE 236 Ca 0.17 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.81 1djx h PHE 236 Cb 0.51 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1djx h PHE 236 CO 0.04 0.21 0.48 -0.07 -2.23 0.00 0.00 178.31 176.74 1djx h LEU 237 N 0.24 0.34 0.04 0.59 3.38 -0.51 0.45 115.31 119.84 1djx h LEU 237 Ca 0.07 0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 1djx h LEU 237 Cb 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1djx h LEU 237 CO -0.01 0.18 -1.97 0.00 0.09 0.00 0.00 178.44 176.72 1djx n GLN 238 N -4.46 0.65 0.03 1.13 6.02 -0.96 0.69 117.38 120.48 1djx n GLN 238 Ca 0.13 0.34 -0.20 0.00 -0.01 0.00 0.00 57.00 57.27 1djx n GLN 238 Cb 0.53 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.04 1djx n GLN 238 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1djx h HIS 239 N -0.49 0.93 0.00 1.08 2.76 -0.82 -2.63 115.15 115.98 1djx h HIS 239 Ca -0.49 -0.51 -0.04 0.00 -2.20 0.00 0.00 60.37 57.14 1djx h HIS 239 Cb 1.70 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.55 1djx h HIS 239 CO 0.04 1.34 -0.69 1.04 -1.30 0.00 0.00 177.93 178.37 1djx n GLN 240 N -3.96 0.48 0.00 5.26 1.13 0.15 -4.45 117.38 115.99 1djx n GLN 240 Ca -0.11 0.50 0.13 0.00 -1.94 0.00 0.00 57.00 55.58 1djx n GLN 240 Cb 0.83 -1.67 0.62 0.00 0.11 0.00 0.00 30.24 30.12 1djx n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1djx n GLN 241 N -4.57 0.25 -3.81 -1.09 1.13 -0.75 -3.69 117.38 104.85 1djx n GLN 241 Ca -0.12 0.05 -0.29 0.00 -1.94 0.00 0.00 57.00 54.70 1djx n GLN 241 Cb 0.35 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.17 1djx n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djx n ARG 242 N -1.35 -2.27 -2.13 -1.09 1.74 -0.28 -4.51 116.66 106.77 1djx n ARG 242 Ca 0.10 0.24 -0.39 0.00 -0.77 0.00 0.00 57.85 57.03 1djx n ARG 242 Cb 0.23 -4.87 -0.01 0.00 -1.02 0.00 0.00 32.46 26.79 1djx n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1djx s GLU 243 N -6.46 4.08 -0.02 5.56 0.41 0.22 -4.92 118.70 117.57 1djx s GLU 243 Ca 0.56 2.09 0.13 0.00 -0.41 0.00 0.00 54.97 57.34 1djx s GLU 243 Cb -0.31 -2.82 -0.22 0.00 -1.78 0.00 0.00 34.13 29.00 1djx s GLU 243 CO 0.69 -0.38 0.74 1.49 -0.49 0.00 0.00 175.26 177.30 1djx h GLU 244 N 2.84 0.00 -0.83 1.61 4.81 -1.90 -3.28 114.58 117.84 1djx h GLU 244 Ca -0.49 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1djx h GLU 244 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1djx h GLU 244 CO 0.63 0.51 0.06 0.39 -0.73 0.00 0.00 179.01 179.87 1djx n GLU 245 N -3.06 2.72 -1.83 1.92 1.02 -1.26 -4.92 120.64 115.24 1djx n GLU 245 Ca -0.15 -1.56 -0.42 0.00 -0.02 0.00 0.00 57.16 55.01 1djx n GLU 245 Cb 1.02 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 1djx n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djx s ALA 246 N -1.84 3.62 -0.09 0.62 0.00 -1.24 -4.47 121.76 118.37 1djx s ALA 246 Ca 0.27 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1djx s ALA 246 Cb 0.21 -3.79 0.11 0.00 0.00 0.00 0.00 23.12 19.66 1djx s ALA 246 CO 0.07 -1.43 1.39 0.20 0.00 0.00 0.00 175.76 175.99 1djx s GLY 247 N 3.68 -0.30 0.25 0.00 0.00 -1.26 -5.00 107.32 104.69 1djx s GLY 247 Ca 0.81 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.88 1djx s GLY 247 CO 0.36 4.91 1.73 -2.55 0.00 0.00 0.00 173.10 177.54 1djx h PRO 248 N 2.00 0.43 0.00 2.90 0.11 -1.90 0.27 132.00 135.80 1djx h PRO 248 Ca -0.24 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.88 1djx h PRO 248 Cb 1.18 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1djx h PRO 248 CO 0.29 0.28 -0.29 0.00 -0.21 0.00 0.00 178.00 178.08 1djx h ALA 249 N 1.55 -0.41 0.59 -0.75 0.00 -1.95 1.70 119.26 120.00 1djx h ALA 249 Ca 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1djx h ALA 249 Cb 0.64 0.51 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1djx h ALA 249 CO -0.41 -0.80 -0.28 1.25 0.00 0.00 0.00 179.25 179.01 1djx h LEU 250 N -0.44 -0.67 -0.95 0.00 5.85 -1.57 0.26 115.31 117.79 1djx h LEU 250 Ca 0.06 -0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.97 1djx h LEU 250 Cb 0.52 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.62 1djx h LEU 250 CO -0.24 -0.44 0.53 0.00 -0.34 0.00 0.00 178.44 177.95 1djx h ALA 251 N -0.48 1.55 0.02 1.25 0.00 -0.12 0.74 119.26 122.22 1djx h ALA 251 Ca -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1djx h ALA 251 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1djx h ALA 251 CO 0.13 -0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.16 1djx h LEU 252 N 0.64 -0.02 -1.37 0.00 3.38 0.29 -2.42 115.31 115.81 1djx h LEU 252 Ca 0.56 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1djx h LEU 252 Cb 0.91 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1djx h LEU 252 CO -0.42 0.36 0.07 0.77 0.09 0.00 0.00 178.44 179.31 1djx h SER 253 N -0.41 0.45 -0.40 -0.43 4.64 0.06 -1.10 113.55 116.35 1djx h SER 253 Ca -0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1djx h SER 253 Cb 0.39 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1djx h SER 253 CO 0.00 0.47 0.21 -0.07 -0.87 0.00 0.00 176.83 176.57 1djx h LEU 254 N 0.48 0.51 0.18 5.97 3.38 -0.80 0.45 115.31 125.48 1djx h LEU 254 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1djx h LEU 254 Cb 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1djx h LEU 254 CO -0.00 0.47 -0.10 0.40 0.09 0.00 0.00 178.44 179.30 1djx h ILE 255 N 0.52 0.79 -0.49 1.22 2.04 -0.77 0.21 117.51 121.02 1djx h ILE 255 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1djx h ILE 255 Cb 0.08 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1djx h ILE 255 CO -0.02 0.00 0.28 -0.08 0.00 0.00 0.00 178.15 178.33 1djx h GLU 256 N -0.27 0.55 -0.46 2.37 4.57 -1.05 0.71 114.58 121.00 1djx h GLU 256 Ca -0.02 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1djx h GLU 256 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1djx h GLU 256 CO 0.03 0.36 0.06 -0.09 -1.18 0.00 0.00 179.01 178.19 1djx h ARG 257 N 0.56 0.76 0.00 1.92 2.43 -0.67 -3.38 114.38 116.01 1djx h ARG 257 Ca 0.20 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1djx h ARG 257 Cb 0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1djx h ARG 257 CO -0.10 0.79 -0.88 0.66 -1.51 0.00 0.00 179.97 178.93 1djx n TYR 258 N -4.45 0.00 -2.20 2.20 4.01 0.73 -4.98 117.16 112.47 1djx n TYR 258 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1djx n TYR 258 Cb 0.26 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1djx n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djx s GLU 259 N -2.19 4.22 0.06 -0.72 2.56 0.24 -4.41 118.70 118.47 1djx s GLU 259 Ca 0.00 1.96 -0.13 0.00 0.00 0.00 0.00 54.97 56.80 1djx s GLU 259 Cb 0.06 -3.83 -0.28 0.00 2.00 0.00 0.00 34.13 32.08 1djx s GLU 259 CO 0.35 -0.74 1.11 -1.00 -0.56 0.00 0.00 175.26 174.42 1djx h PRO 260 N 8.72 0.55 -6.03 4.30 0.13 -1.91 -3.44 132.00 134.33 1djx h PRO 260 Ca -0.34 -0.77 -0.54 0.00 -0.87 0.00 0.00 66.00 63.48 1djx h PRO 260 Cb 1.15 0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 1djx h PRO 260 CO 0.95 1.35 1.40 0.45 -0.23 0.00 0.00 178.00 181.92 1djx s SER 261 N -7.40 5.39 0.54 1.44 0.15 -1.26 -4.84 113.70 107.73 1djx s SER 261 Ca -0.08 1.10 0.25 0.00 0.70 0.00 0.00 55.95 57.92 1djx s SER 261 Cb 0.06 -2.52 1.43 0.00 -1.71 0.00 0.00 66.02 63.28 1djx s SER 261 CO 0.92 -2.14 2.02 -0.33 1.20 0.00 0.00 173.24 174.91 1djx h GLU 262 N 15.00 0.00 0.09 5.44 4.39 -1.99 0.45 114.58 137.96 1djx h GLU 262 Ca -0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 1djx h GLU 262 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1djx h GLU 262 CO 1.09 0.00 -0.04 1.15 -1.16 0.00 0.00 179.01 180.05 1djx h THR 263 N 0.00 0.87 -0.59 1.13 2.02 -1.98 -2.18 112.91 112.17 1djx h THR 263 Ca 0.20 -1.40 0.10 0.00 0.77 0.00 0.00 66.41 66.07 1djx h THR 263 Cb 0.84 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.73 1djx h THR 263 CO -0.00 0.26 0.18 0.00 0.37 0.00 0.00 175.52 176.33 1djx h ALA 264 N -0.42 0.73 -0.26 6.16 0.00 -1.72 0.20 119.26 123.95 1djx h ALA 264 Ca -0.01 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1djx h ALA 264 Cb 0.52 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1djx h ALA 264 CO 0.02 -0.24 -0.23 -0.22 0.00 0.00 0.00 179.25 178.58 1djx h LYS 265 N 0.34 -0.22 -0.80 0.00 3.64 -0.18 0.07 116.57 119.42 1djx h LYS 265 Ca 0.30 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1djx h LYS 265 Cb 0.40 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1djx h LYS 265 CO -0.33 -0.15 0.50 0.00 -2.27 0.00 0.00 179.45 177.20 1djx h ALA 266 N 0.84 1.06 -0.11 5.00 0.00 -0.34 -1.66 119.26 124.05 1djx h ALA 266 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1djx h ALA 266 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1djx h ALA 266 CO -0.40 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.20 1djx n GLN 267 N -4.61 1.66 -3.69 0.00 6.02 0.50 -4.89 117.38 112.37 1djx n GLN 267 Ca 0.10 -0.58 -0.23 0.00 -0.01 0.00 0.00 57.00 56.28 1djx n GLN 267 Cb 0.10 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 29.85 1djx n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djx n ARG 268 N 0.08 -3.79 -4.13 -1.09 1.74 -0.63 -4.97 116.66 103.86 1djx n ARG 268 Ca 0.05 0.58 -0.10 0.00 -0.77 0.00 0.00 57.85 57.61 1djx n ARG 268 Cb 0.37 -4.95 -0.10 0.00 -1.02 0.00 0.00 32.46 26.76 1djx n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djx s GLN 269 N -5.93 0.73 -0.09 5.56 -0.21 -0.08 -3.30 119.66 116.35 1djx s GLN 269 Ca 0.13 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.33 1djx s GLN 269 Cb -0.04 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.85 1djx s GLN 269 CO 0.83 -0.03 -0.20 1.41 -2.12 0.00 0.00 175.29 175.17 1djx s MET 270 N -3.45 2.63 0.72 2.91 -2.45 0.18 -3.89 119.30 115.94 1djx s MET 270 Ca 0.07 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 53.73 1djx s MET 270 Cb 0.03 -2.02 0.11 0.00 1.25 0.00 0.00 34.83 34.19 1djx s MET 270 CO -0.05 0.14 1.01 0.95 1.05 0.00 0.00 175.02 178.12 1djx s THR 271 N 0.43 2.24 0.25 10.11 -4.23 -1.26 0.73 115.64 123.91 1djx s THR 271 Ca -0.17 -0.45 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1djx s THR 271 Cb -0.17 -2.79 0.26 0.00 1.34 0.00 0.00 72.50 71.14 1djx s THR 271 CO 0.07 0.00 1.91 0.50 -0.54 0.00 0.00 174.62 176.56 1djx h LYS 272 N -0.60 1.24 -0.13 3.99 3.64 -1.99 0.26 116.57 122.98 1djx h LYS 272 Ca -0.40 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1djx h LYS 272 Cb 1.28 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1djx h LYS 272 CO 0.46 0.82 0.07 -0.44 -2.27 0.00 0.00 179.45 178.09 1djx h ASP 273 N 1.28 0.17 -1.00 4.20 3.32 -1.97 0.27 116.42 122.68 1djx h ASP 273 Ca 0.39 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1djx h ASP 273 Cb -0.02 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1djx h ASP 273 CO -0.12 0.21 0.65 1.23 -1.72 0.00 0.00 179.24 179.48 1djx h GLY 274 N 0.11 1.53 0.83 2.75 0.00 -1.56 0.12 103.07 106.85 1djx h GLY 274 Ca 0.05 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1djx h GLY 274 CO -0.01 0.31 0.09 -2.75 0.00 0.00 0.00 176.54 174.18 1djx h PHE 275 N 1.15 0.16 -0.22 5.60 3.57 0.13 -0.51 116.94 126.82 1djx h PHE 275 Ca 0.44 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 1djx h PHE 275 Cb 0.21 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1djx h PHE 275 CO -0.00 0.08 0.12 1.25 -2.23 0.00 0.00 178.31 177.52 1djx h LEU 276 N 0.20 0.28 -0.22 0.59 5.85 0.72 -1.80 115.31 120.93 1djx h LEU 276 Ca 0.10 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1djx h LEU 276 Cb 0.06 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1djx h LEU 276 CO -0.10 0.30 -0.22 0.24 -0.34 0.00 0.00 178.44 178.32 1djx h MET 277 N 0.24 -0.22 -0.69 1.25 2.86 -0.29 0.33 114.93 118.40 1djx h MET 277 Ca 0.08 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1djx h MET 277 Cb 0.08 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1djx h MET 277 CO -0.01 -0.15 0.41 -0.92 1.06 0.00 0.00 176.91 177.30 1djx h TYR 278 N -0.23 0.77 0.00 -0.22 3.20 -0.95 -0.78 116.97 118.76 1djx h TYR 278 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1djx h TYR 278 Cb 0.43 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1djx h TYR 278 CO -0.37 0.40 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.29 1djx h LEU 279 N 0.78 0.00 -0.91 2.82 3.38 -0.28 -2.01 115.31 119.10 1djx h LEU 279 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1djx h LEU 279 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1djx h LEU 279 CO -0.15 0.20 -0.23 0.18 0.09 0.00 0.00 178.44 178.54 1djx n LEU 280 N -3.94 1.64 0.00 1.67 4.77 -0.04 -4.00 117.00 117.11 1djx n LEU 280 Ca -0.02 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.18 1djx n LEU 280 Cb 0.28 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1djx n LEU 280 CO 0.34 0.29 0.69 -1.54 -1.33 0.00 0.00 177.39 175.84 1djx n SER 281 N -0.06 0.71 0.28 -1.43 3.41 -0.39 -4.87 113.62 111.27 1djx n SER 281 Ca 0.13 -1.78 0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1djx n SER 281 Cb 0.41 -0.79 0.81 0.00 -0.26 0.00 0.00 64.21 64.38 1djx n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djx h ALA 282 N -1.19 1.34 0.00 7.33 0.00 -1.90 0.23 119.26 125.07 1djx h ALA 282 Ca -0.36 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1djx h ALA 282 Cb 1.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1djx h ALA 282 CO 0.32 0.09 -0.78 -0.44 0.00 0.00 0.00 179.25 178.44 1djx h ASP 283 N 0.00 0.00 0.38 0.00 3.32 -1.93 -3.17 116.42 115.03 1djx h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1djx h ASP 283 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1djx h ASP 283 CO 0.01 0.70 -0.35 0.61 -1.72 0.00 0.00 179.24 178.49 1djx n GLY 284 N 1.29 -0.94 3.75 2.75 0.00 -0.08 -4.92 105.19 107.04 1djx n GLY 284 Ca -0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1djx n GLY 284 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1djx s ASN 285 N -2.73 6.36 0.61 1.61 3.84 -0.34 -1.97 114.94 122.32 1djx s ASN 285 Ca 0.19 2.96 0.40 0.00 0.21 0.00 0.00 52.86 56.61 1djx s ASN 285 Cb 0.19 -2.64 1.96 0.00 -0.55 0.00 0.00 41.25 40.21 1djx s ASN 285 CO 0.60 -0.92 2.19 0.00 -2.79 0.00 0.00 177.10 176.18 1djx h ALA 286 N 4.73 1.00 -2.41 1.71 0.00 -1.47 -3.38 119.26 119.44 1djx h ALA 286 Ca -0.47 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 1djx h ALA 286 Cb 1.22 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1djx h ALA 286 CO 0.78 0.00 -0.10 0.12 0.00 0.00 0.00 179.25 180.06 1djx s PHE 287 N -3.93 3.16 -0.42 0.00 2.19 -1.26 -0.52 117.98 117.20 1djx s PHE 287 Ca -0.02 -0.02 -0.41 0.00 0.33 0.00 0.00 56.93 56.81 1djx s PHE 287 Cb 0.11 -2.94 -0.16 0.00 -1.31 0.00 0.00 43.02 38.72 1djx s PHE 287 CO 0.46 -0.61 2.05 0.45 1.83 0.00 0.00 175.22 179.39 1djx n SER 288 N 5.73 1.48 -0.14 6.13 2.88 0.92 -4.80 113.62 125.81 1djx n SER 288 Ca -0.06 0.70 0.15 0.00 -1.33 0.00 0.00 58.87 58.33 1djx n SER 288 Cb 0.48 -1.05 0.51 0.00 -0.75 0.00 0.00 64.21 63.40 1djx n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djx h LEU 289 N 9.46 0.38 -2.07 2.46 5.85 -1.84 0.14 115.31 129.69 1djx h LEU 289 Ca -0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1djx h LEU 289 Cb 1.37 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1djx h LEU 289 CO 1.04 0.21 -0.08 0.00 -0.34 0.00 0.00 178.44 179.26 1djx h ALA 290 N 1.66 1.48 -0.09 1.25 0.00 -1.93 -1.44 119.26 120.20 1djx h ALA 290 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1djx h ALA 290 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1djx h ALA 290 CO -0.10 0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1djx n HIS 291 N -3.89 0.10 -0.39 0.00 8.25 0.03 -3.88 115.22 115.45 1djx n HIS 291 Ca -0.02 -0.05 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 1djx n HIS 291 Cb 0.17 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.50 1djx n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djx n ARG 292 N 0.46 2.93 -3.86 -0.41 1.74 -0.54 -1.62 116.66 115.37 1djx n ARG 292 Ca 0.18 -2.12 -0.11 0.00 -0.77 0.00 0.00 57.85 55.03 1djx n ARG 292 Cb 0.40 -1.94 -0.09 0.00 -1.02 0.00 0.00 32.46 29.81 1djx n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djx s ARG 293 N -2.23 0.60 -0.05 5.56 1.70 -1.25 -4.27 118.95 119.02 1djx s ARG 293 Ca 0.38 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 1djx s ARG 293 Cb 0.30 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 1djx s ARG 293 CO 0.09 -0.16 1.97 0.08 -1.08 0.00 0.00 175.30 176.20 1djx s VAL 294 N -2.02 3.12 0.00 4.99 1.01 -1.25 -2.78 120.40 123.48 1djx s VAL 294 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1djx s VAL 294 Cb -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1djx s VAL 294 CO -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 175.10 175.17 1djx n TYR 295 N 8.47 0.00 -2.33 5.22 4.11 -1.26 -4.94 117.16 126.43 1djx n TYR 295 Ca 0.22 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.87 1djx n TYR 295 Cb 0.42 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.85 1djx n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1djx s GLN 296 N -0.04 2.01 -0.58 -3.48 -0.21 -1.26 -4.98 119.66 111.12 1djx s GLN 296 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.58 1djx s GLN 296 Cb 0.00 -2.23 0.01 0.00 1.00 0.00 0.00 33.01 31.79 1djx s GLN 296 CO 0.00 -1.29 1.51 0.34 -2.12 0.00 0.00 175.29 173.73 1djx s ASP 297 N -4.58 5.94 -0.23 5.90 -1.08 -1.26 -4.85 116.67 116.52 1djx s ASP 297 Ca 0.62 0.28 0.09 0.00 -0.52 0.00 0.00 52.55 53.02 1djx s ASP 297 Cb -0.09 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.44 1djx s ASP 297 CO 0.44 -1.86 1.54 0.23 0.52 0.00 0.00 175.17 176.04 1djx n MET 298 N 8.83 3.53 -0.12 4.34 2.81 -1.26 -4.16 117.12 131.09 1djx n MET 298 Ca 0.14 -2.43 0.05 0.00 -1.81 0.00 0.00 57.70 53.64 1djx n MET 298 Cb 0.50 -2.06 0.11 0.00 -0.71 0.00 0.00 33.22 31.06 1djx n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djx n ASP 299 N 0.16 2.57 -4.94 7.83 8.00 -1.26 -2.20 116.55 126.72 1djx n ASP 299 Ca 0.28 -1.86 -0.24 0.00 0.71 0.00 0.00 54.79 53.68 1djx n ASP 299 Cb 1.10 -0.15 0.04 0.00 -0.02 0.00 0.00 41.12 42.09 1djx n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djx s GLN 300 N -0.96 2.61 0.48 -1.24 -0.21 -1.26 -4.71 119.66 114.38 1djx s GLN 300 Ca 0.18 -0.36 -0.23 0.00 0.02 0.00 0.00 55.36 54.97 1djx s GLN 300 Cb 0.10 -2.34 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1djx s GLN 300 CO 0.13 -0.82 1.31 -2.14 -2.12 0.00 0.00 175.29 171.66 1djx s PRO 301 N -4.95 3.54 0.41 2.91 0.02 -1.26 -3.69 135.00 131.97 1djx s PRO 301 Ca 0.56 2.14 0.24 0.00 0.02 0.00 0.00 61.00 63.96 1djx s PRO 301 Cb -0.10 -2.46 1.29 0.00 0.02 0.00 0.00 34.50 33.25 1djx s PRO 301 CO 0.42 -0.84 1.66 -0.07 -0.33 0.00 0.00 177.00 177.84 1djx h LEU 302 N 1.98 0.34 0.00 -5.54 3.38 -0.97 0.42 115.31 114.92 1djx h LEU 302 Ca -0.50 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1djx h LEU 302 Cb 1.27 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1djx h LEU 302 CO 0.60 -0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.45 1djx n SER 303 N -4.79 0.00 -0.42 -0.43 3.41 -1.26 -1.74 113.62 108.39 1djx n SER 303 Ca 0.34 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1djx n SER 303 Cb 1.22 -0.28 0.21 0.00 -0.26 0.00 0.00 64.21 65.11 1djx n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djx n HIS 304 N -1.28 0.00 -4.36 7.33 8.25 0.15 -4.69 115.22 120.62 1djx n HIS 304 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1djx n HIS 304 Cb 0.07 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.04 1djx n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djx s TYR 305 N -2.42 2.53 0.10 4.41 1.51 -0.71 -0.74 117.35 122.03 1djx s TYR 305 Ca 0.23 -0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 1djx s TYR 305 Cb 0.19 -1.14 -0.07 0.00 -0.11 0.00 0.00 41.96 40.83 1djx s TYR 305 CO 0.51 0.63 0.62 -0.51 -1.11 0.00 0.00 175.55 175.68 1djx s LEU 306 N -3.42 4.53 -0.11 -1.29 1.43 0.13 -4.70 118.68 115.25 1djx s LEU 306 Ca 0.29 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1djx s LEU 306 Cb -0.06 -3.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.14 1djx s LEU 306 CO 0.17 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 176.11 1djx s VAL 307 N -1.14 2.42 -0.12 -1.59 1.01 0.63 -1.63 120.40 119.98 1djx s VAL 307 Ca 0.31 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1djx s VAL 307 Cb -0.20 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1djx s VAL 307 CO 0.21 0.55 1.79 -0.55 0.00 0.00 0.00 175.10 177.09 1djx s SER 308 N 0.38 6.32 0.00 3.32 0.15 -0.59 -4.30 113.70 118.98 1djx s SER 308 Ca -0.15 2.04 0.02 0.00 0.70 0.00 0.00 55.95 58.55 1djx s SER 308 Cb -0.17 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1djx s SER 308 CO 0.07 -1.24 -0.06 -0.44 1.20 0.00 0.00 173.24 172.77 1djx s SER 309 N 4.67 0.68 0.23 5.45 0.01 -1.26 -0.40 113.70 123.08 1djx s SER 309 Ca 0.80 -0.14 0.09 0.00 1.31 0.00 0.00 55.95 58.01 1djx s SER 309 Cb -0.32 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1djx s SER 309 CO 0.33 0.04 -0.05 -0.94 0.41 0.00 0.00 173.24 173.04 1djx s SER 310 N -0.27 4.41 -0.13 2.44 1.04 -0.10 -1.93 113.70 119.17 1djx s SER 310 Ca 0.01 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 1djx s SER 310 Cb -0.03 -0.79 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 1djx s SER 310 CO -0.00 0.05 -0.04 -2.28 0.98 0.00 0.00 173.24 171.94 1djx s HIS 311 N -2.07 3.01 -1.45 5.02 5.04 0.11 -4.23 115.29 120.72 1djx s HIS 311 Ca 0.29 -0.20 -0.07 0.00 -1.54 0.00 0.00 55.06 53.54 1djx s HIS 311 Cb -0.07 -1.88 0.01 0.00 0.04 0.00 0.00 32.58 30.67 1djx s HIS 311 CO 0.18 0.09 0.22 0.09 -2.34 0.00 0.00 174.74 172.97 1djx n ASN 312 N 3.11 -0.36 -0.37 9.88 3.02 -1.26 -4.59 115.26 124.69 1djx n ASN 312 Ca -0.18 -1.23 0.38 0.00 -0.03 0.00 0.00 54.58 53.52 1djx n ASN 312 Cb 0.53 -1.91 0.71 0.00 -0.61 0.00 0.00 39.78 38.50 1djx n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1djx h THR 313 N -1.96 0.20 0.00 3.41 2.02 -1.82 -0.36 112.91 114.41 1djx h THR 313 Ca -0.67 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1djx h THR 313 Cb 1.40 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1djx h THR 313 CO 0.65 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.64 1djx h TYR 314 N 0.00 0.00 -3.60 3.16 -0.00 -1.86 -3.34 116.97 111.33 1djx h TYR 314 Ca 0.62 0.00 -0.51 0.00 -0.00 0.00 0.00 58.73 58.84 1djx h TYR 314 Cb 2.71 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 39.43 1djx h TYR 314 CO 0.00 0.00 0.38 -0.51 -0.00 0.00 0.00 178.16 178.03 1djx s LEU 315 N -5.83 4.52 -0.03 0.10 1.43 -0.15 -0.64 118.68 118.09 1djx s LEU 315 Ca 0.01 1.87 0.20 0.00 -1.03 0.00 0.00 54.13 55.19 1djx s LEU 315 Cb 0.09 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.47 1djx s LEU 315 CO 0.50 -0.05 0.49 0.18 0.23 0.00 0.00 176.35 177.70 1djx n LEU 316 N 2.48 0.22 0.00 1.79 4.77 -0.58 -4.74 117.00 120.93 1djx n LEU 316 Ca 0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1djx n LEU 316 Cb 0.48 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1djx n LEU 316 CO 0.51 0.12 0.00 -0.62 -1.33 0.00 0.00 177.39 176.08 1djx n GLU 317 N -2.52 0.00 -1.49 3.23 1.02 -1.26 -4.88 120.64 114.74 1djx n GLU 317 Ca -0.12 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 1djx n GLU 317 Cb 0.75 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.36 1djx n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djx s ASP 318 N 1.00 2.42 0.00 1.62 -4.77 -1.26 -4.68 116.67 111.00 1djx s ASP 318 Ca 0.00 0.62 0.26 0.00 -3.30 0.00 0.00 52.55 50.13 1djx s ASP 318 Cb 0.00 -0.90 0.70 0.00 -1.09 0.00 0.00 42.92 41.63 1djx s ASP 318 CO 0.00 -3.19 1.53 0.00 0.70 0.00 0.00 175.17 174.21 1djx n GLN 319 N -4.14 1.04 -0.08 2.11 1.13 -0.11 -4.04 117.38 113.29 1djx n GLN 319 Ca 0.12 -0.65 -0.15 0.00 -1.94 0.00 0.00 57.00 54.37 1djx n GLN 319 Cb 0.59 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.39 1djx n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djx n LEU 320 N -0.41 1.77 0.00 1.08 4.77 -1.26 -4.79 117.00 118.16 1djx n LEU 320 Ca 0.13 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1djx n LEU 320 Cb 0.37 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1djx n LEU 320 CO 0.24 0.48 0.03 0.35 -1.33 0.00 0.00 177.39 177.16 1djx n THR 321 N -3.46 0.00 -0.63 -5.08 -2.24 -1.26 0.65 114.28 102.26 1djx n THR 321 Ca -0.30 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 1djx n THR 321 Cb 0.75 1.22 0.25 0.00 -2.10 0.00 0.00 70.33 70.44 1djx n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djx s GLY 322 N -0.22 1.53 0.55 3.38 0.00 -1.26 -4.44 107.32 106.86 1djx s GLY 322 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 1djx s GLY 322 CO 0.00 0.48 0.95 2.56 0.00 0.00 0.00 173.10 177.09 1djx s PRO 323 N -4.59 3.66 0.12 2.90 0.04 -1.26 -2.17 135.00 133.70 1djx s PRO 323 Ca 0.68 0.64 0.11 0.00 0.04 0.00 0.00 61.00 62.47 1djx s PRO 323 Cb -0.23 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1djx s PRO 323 CO 0.63 -0.40 -0.26 -1.12 0.04 0.00 0.00 177.00 175.90 1djx s SER 324 N -3.90 3.39 -0.10 6.66 0.01 -1.26 -1.53 113.70 116.97 1djx s SER 324 Ca 0.54 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1djx s SER 324 Cb -0.11 -0.27 0.11 0.00 0.21 0.00 0.00 66.02 65.96 1djx s SER 324 CO 0.46 0.19 0.88 -0.55 0.41 0.00 0.00 173.24 174.63 1djx s SER 325 N -2.00 -0.47 0.47 2.44 0.15 0.19 -4.80 113.70 109.68 1djx s SER 325 Ca 0.14 0.46 0.14 0.00 0.70 0.00 0.00 55.95 57.40 1djx s SER 325 Cb -0.10 0.39 1.08 0.00 -1.71 0.00 0.00 66.02 65.68 1djx s SER 325 CO 0.06 -0.47 2.05 0.71 1.20 0.00 0.00 173.24 176.79 1djx h THR 326 N 2.64 1.09 -0.73 6.45 1.35 -1.95 -0.77 112.91 120.99 1djx h THR 326 Ca -0.22 -0.40 0.18 0.00 -0.55 0.00 0.00 66.41 65.43 1djx h THR 326 Cb 1.17 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.72 1djx h THR 326 CO 0.34 0.12 0.50 -0.08 -0.25 0.00 0.00 175.52 176.15 1djx h GLU 327 N 0.04 0.18 -0.42 4.72 4.22 -1.93 0.47 114.58 121.85 1djx h GLU 327 Ca 0.01 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 1djx h GLU 327 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1djx h GLU 327 CO 0.01 0.12 -0.16 0.00 -2.18 0.00 0.00 179.01 176.80 1djx h ALA 328 N 1.65 0.94 -0.26 2.92 0.00 -1.40 -0.92 119.26 122.19 1djx h ALA 328 Ca 0.35 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1djx h ALA 328 Cb 1.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1djx h ALA 328 CO -0.06 0.62 -0.22 1.88 0.00 0.00 0.00 179.25 181.46 1djx h TYR 329 N 0.70 0.73 -0.29 0.00 0.05 -1.02 -1.53 116.97 115.61 1djx h TYR 329 Ca 0.11 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1djx h TYR 329 Cb 0.65 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1djx h TYR 329 CO 0.03 0.92 0.17 0.82 -1.05 0.00 0.00 178.16 179.05 1djx h ILE 330 N 0.34 1.12 -0.03 -2.88 2.04 -1.17 0.15 117.51 117.08 1djx h ILE 330 Ca 0.05 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1djx h ILE 330 Cb 0.78 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1djx h ILE 330 CO 0.06 0.12 -0.05 -0.09 0.00 0.00 0.00 178.15 178.18 1djx h ARG 331 N 0.37 -0.07 -0.77 2.37 2.43 -1.16 0.53 114.38 118.08 1djx h ARG 331 Ca 0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1djx h ARG 331 Cb 0.04 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1djx h ARG 331 CO -0.02 -0.05 0.43 0.00 -1.51 0.00 0.00 179.97 178.83 1djx h ALA 332 N 0.95 1.32 -0.39 2.80 0.00 -1.03 -0.62 119.26 122.28 1djx h ALA 332 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1djx h ALA 332 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1djx h ALA 332 CO -0.08 0.57 -0.28 -0.07 0.00 0.00 0.00 179.25 179.39 1djx h LEU 333 N 1.07 0.86 -1.48 0.00 3.38 -0.25 -0.38 115.31 118.52 1djx h LEU 333 Ca 0.27 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1djx h LEU 333 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1djx h LEU 333 CO -0.05 1.09 -0.14 0.00 0.09 0.00 0.00 178.44 179.43 1djx n LYS 335 N -3.38 1.63 -0.82 0.00 5.02 -0.33 -4.87 118.16 115.42 1djx n LYS 335 Ca -0.00 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 1djx n LYS 335 Cb 0.34 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1djx n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djx n GLY 336 N 0.73 0.67 3.73 0.72 0.00 -0.29 -5.02 105.19 105.74 1djx n GLY 336 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1djx n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n ARG 338 N 2.19 0.77 -3.63 0.00 5.12 0.46 -4.63 116.66 116.95 1djx n ARG 338 Ca 0.09 0.08 -0.40 0.00 -1.93 0.00 0.00 57.85 55.69 1djx n ARG 338 Cb 0.36 -1.40 -0.11 0.00 -1.16 0.00 0.00 32.46 30.15 1djx n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djx s LEU 340 N 1.47 4.29 -0.14 0.00 1.43 -0.37 -0.92 118.68 124.44 1djx s LEU 340 Ca 0.02 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1djx s LEU 340 Cb -0.21 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1djx s LEU 340 CO 0.04 0.13 -0.09 -0.70 0.23 0.00 0.00 176.35 175.96 1djx s GLU 341 N -2.77 3.51 -0.21 1.70 2.12 -1.26 0.25 118.70 122.04 1djx s GLU 341 Ca 0.34 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.07 1djx s GLU 341 Cb -0.12 -2.75 0.05 0.00 0.26 0.00 0.00 34.13 31.56 1djx s GLU 341 CO 0.28 0.23 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.63 1djx s LEU 342 N 0.35 2.30 -0.51 2.70 1.02 -0.09 -3.73 118.68 120.72 1djx s LEU 342 Ca -0.08 -0.95 -0.17 0.00 0.02 0.00 0.00 54.13 52.94 1djx s LEU 342 Cb -0.15 -1.18 0.08 0.00 0.02 0.00 0.00 46.19 44.96 1djx s LEU 342 CO 0.05 -0.18 0.52 -1.81 0.02 0.00 0.00 176.35 174.95 1djx s ASP 343 N 1.42 6.18 -0.18 2.29 1.11 -1.26 -0.62 116.67 125.61 1djx s ASP 343 Ca -0.03 -1.33 -0.15 0.00 0.18 0.00 0.00 52.55 51.23 1djx s ASP 343 Cb -0.17 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1djx s ASP 343 CO -0.07 -0.82 0.35 0.00 1.18 0.00 0.00 175.17 175.80 1djx s TRP 345 N 0.95 0.81 0.33 0.00 0.52 -0.11 0.11 118.94 121.55 1djx s TRP 345 Ca 0.18 -0.93 -0.28 0.00 0.02 0.00 0.00 56.10 55.09 1djx s TRP 345 Cb -0.14 -0.49 -0.09 0.00 -1.15 0.00 0.00 33.47 31.60 1djx s TRP 345 CO 0.06 -0.19 1.15 -0.51 0.02 0.00 0.00 176.95 177.48 1djx s ASP 346 N -2.98 6.92 0.33 2.95 1.11 -1.26 -0.45 116.67 123.29 1djx s ASP 346 Ca 0.10 2.34 0.04 0.00 0.18 0.00 0.00 52.55 55.21 1djx s ASP 346 Cb 0.05 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 1djx s ASP 346 CO -0.06 -0.39 0.05 -0.83 1.18 0.00 0.00 175.17 175.13 1djx s GLY 347 N -0.96 2.09 1.15 0.21 0.00 -1.06 -4.60 107.32 104.16 1djx s GLY 347 Ca 0.50 -2.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.01 1djx s GLY 347 CO 0.41 -1.83 0.84 -1.05 0.00 0.00 0.00 173.10 171.46 1djx n PRO 348 N -0.70 -2.20 -1.24 2.90 -0.02 -1.26 -2.72 135.00 129.77 1djx n PRO 348 Ca -0.02 -0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 60.74 1djx n PRO 348 Cb 0.67 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1djx n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1djx n ASN 349 N -4.30 -3.55 -0.98 2.55 3.02 -1.26 -1.25 115.26 109.49 1djx n ASN 349 Ca 0.03 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.72 1djx n ASN 349 Cb 0.55 -3.09 -0.05 0.00 -0.61 0.00 0.00 39.78 36.57 1djx n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djx n GLN 350 N -1.38 -0.94 -3.86 3.52 1.13 -1.10 -4.97 117.38 109.78 1djx n GLN 350 Ca -0.11 0.94 -0.36 0.00 -1.94 0.00 0.00 57.00 55.54 1djx n GLN 350 Cb 0.41 -5.00 -0.13 0.00 0.11 0.00 0.00 30.24 25.64 1djx n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1djx s GLU 351 N -3.05 3.61 0.46 -1.09 0.41 -0.38 -4.88 118.70 113.78 1djx s GLU 351 Ca 0.00 -0.51 -0.24 0.00 -0.41 0.00 0.00 54.97 53.81 1djx s GLU 351 Cb 0.00 -3.22 -0.07 0.00 -1.78 0.00 0.00 34.13 29.06 1djx s GLU 351 CO 0.00 -0.13 1.34 -2.14 -0.49 0.00 0.00 175.26 173.84 1djx s PRO 352 N 1.41 3.63 0.37 0.39 0.02 -1.26 -2.56 135.00 137.00 1djx s PRO 352 Ca 0.05 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.37 1djx s PRO 352 Cb -0.15 -2.55 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 1djx s PRO 352 CO 0.02 -0.79 -0.05 0.96 -0.33 0.00 0.00 177.00 176.81 1djx s ILE 353 N -1.29 2.14 -0.04 2.83 -4.36 0.40 -1.36 121.20 119.53 1djx s ILE 353 Ca 0.63 -2.11 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1djx s ILE 353 Cb -0.39 -2.81 -0.00 0.00 1.25 0.00 0.00 42.46 40.50 1djx s ILE 353 CO 0.49 -0.11 -0.17 -0.63 0.24 0.00 0.00 174.94 174.76 1djx s ILE 354 N -2.65 1.43 0.03 8.37 1.01 0.38 -0.94 121.20 128.83 1djx s ILE 354 Ca 0.34 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 1djx s ILE 354 Cb 0.06 -1.23 0.10 0.00 0.01 0.00 0.00 42.46 41.40 1djx s ILE 354 CO 0.17 0.41 1.22 -0.72 0.00 0.00 0.00 174.94 176.03 1djx s TYR 355 N 0.01 0.01 -0.41 3.97 1.13 -1.14 -1.24 117.35 119.69 1djx s TYR 355 Ca -0.03 -0.19 -0.22 0.00 -1.41 0.00 0.00 57.07 55.21 1djx s TYR 355 Cb -0.11 0.59 0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1djx s TYR 355 CO 0.02 -0.43 0.74 -1.58 -2.51 0.00 0.00 175.55 171.79 1djx s HIS 356 N -2.20 3.06 0.05 -3.49 5.65 -1.26 -4.66 115.29 112.43 1djx s HIS 356 Ca 0.23 0.26 -0.36 0.00 0.25 0.00 0.00 55.06 55.44 1djx s HIS 356 Cb 0.00 -3.46 -0.16 0.00 -1.18 0.00 0.00 32.58 27.79 1djx s HIS 356 CO -0.00 -0.84 1.49 0.41 -0.65 0.00 0.00 174.74 175.14 1djx n GLY 357 N 4.83 0.75 2.24 1.59 0.00 -1.26 -2.46 105.19 110.88 1djx n GLY 357 Ca 0.01 0.73 -0.09 0.00 0.00 0.00 0.00 46.02 46.67 1djx n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djx n TYR 358 N 3.37 -0.69 -4.11 1.61 4.01 -1.26 -5.01 117.16 115.08 1djx n TYR 358 Ca 0.19 0.14 -0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1djx n TYR 358 Cb 0.21 -2.40 -0.04 0.00 -0.31 0.00 0.00 39.34 36.80 1djx n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1djx n THR 359 N -3.85 0.00 -0.80 -0.72 -2.24 -1.03 -5.05 114.28 100.59 1djx n THR 359 Ca -0.07 -1.22 0.08 0.00 -2.27 0.00 0.00 64.05 60.57 1djx n THR 359 Cb 0.56 0.62 0.26 0.00 -2.10 0.00 0.00 70.33 69.67 1djx n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djx n PHE 360 N -0.32 1.00 -1.76 4.78 3.01 0.21 -4.94 117.46 119.43 1djx n PHE 360 Ca 0.04 -0.77 -0.41 0.00 1.01 0.00 0.00 57.45 57.32 1djx n PHE 360 Cb 0.31 -0.27 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1djx n PHE 360 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1djx n THR 361 N -0.10 2.33 -0.52 4.37 -2.24 -0.98 -4.64 114.28 112.49 1djx n THR 361 Ca 0.20 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1djx n THR 361 Cb 0.83 -1.89 0.24 0.00 -2.10 0.00 0.00 70.33 67.41 1djx n THR 361 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1djx n SER 362 N 0.21 -2.07 -4.33 3.42 3.41 -0.92 -4.66 113.62 108.68 1djx n SER 362 Ca 0.03 -0.19 -0.24 0.00 -0.26 0.00 0.00 58.87 58.21 1djx n SER 362 Cb 0.40 -1.15 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 1djx n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1djx s LYS 363 N -4.08 1.25 0.09 4.33 1.02 -1.26 -4.30 119.74 116.79 1djx s LYS 363 Ca 0.65 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1djx s LYS 363 Cb -0.21 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1djx s LYS 363 CO 0.66 0.33 0.03 0.96 -0.92 0.00 0.00 175.35 176.41 1djx s ILE 364 N -1.52 0.17 0.13 2.17 -4.36 -0.37 -4.94 121.20 112.47 1djx s ILE 364 Ca 0.12 -1.77 -0.30 0.00 -0.26 0.00 0.00 60.65 58.44 1djx s ILE 364 Cb -0.08 -1.70 -0.06 0.00 1.25 0.00 0.00 42.46 41.86 1djx s ILE 364 CO 0.06 -0.76 0.99 -0.76 0.24 0.00 0.00 174.94 174.71 1djx s LEU 365 N -2.96 4.51 0.22 0.37 1.43 -1.26 0.14 118.68 121.12 1djx s LEU 365 Ca 0.13 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 55.01 1djx s LEU 365 Cb 0.07 -3.59 0.28 0.00 0.03 0.00 0.00 46.19 42.98 1djx s LEU 365 CO -0.06 -0.08 1.80 0.15 0.23 0.00 0.00 176.35 178.39 1djx h PHE 366 N 5.39 0.66 -0.51 0.29 3.57 -1.49 0.11 116.94 124.95 1djx h PHE 366 Ca -0.43 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1djx h PHE 366 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1djx h PHE 366 CO 0.64 0.28 0.23 0.00 -2.23 0.00 0.00 178.31 177.24 1djx h ASP 368 N 0.69 1.02 -0.79 0.00 3.32 -1.74 0.03 116.42 118.95 1djx h ASP 368 Ca 0.17 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1djx h ASP 368 Cb 0.15 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1djx h ASP 368 CO -0.02 0.72 0.42 0.58 -1.72 0.00 0.00 179.24 179.22 1djx h VAL 369 N 1.20 1.24 -0.45 -1.35 2.07 -0.21 -2.63 116.25 116.11 1djx h VAL 369 Ca 0.35 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1djx h VAL 369 Cb -0.06 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1djx h VAL 369 CO -0.10 0.27 -0.11 -0.07 0.02 0.00 0.00 177.57 177.58 1djx h LEU 370 N 1.12 0.80 -0.15 2.57 3.38 0.47 -1.87 115.31 121.64 1djx h LEU 370 Ca 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djx h LEU 370 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1djx h LEU 370 CO -0.04 0.93 0.09 0.03 0.09 0.00 0.00 178.44 179.54 1djx h ARG 371 N 0.73 0.20 -0.81 1.13 3.08 -0.95 0.33 114.38 118.09 1djx h ARG 371 Ca 0.12 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1djx h ARG 371 Cb 0.60 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1djx h ARG 371 CO 0.04 0.15 0.54 0.00 -1.07 0.00 0.00 179.97 179.63 1djx h ALA 372 N 1.03 1.03 -0.40 0.04 0.00 -1.31 0.12 119.26 119.77 1djx h ALA 372 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1djx h ALA 372 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1djx h ALA 372 CO -0.01 0.44 -0.08 0.82 0.00 0.00 0.00 179.25 180.42 1djx h ILE 373 N 1.10 1.27 -0.73 0.00 2.04 -0.91 -1.50 117.51 118.79 1djx h ILE 373 Ca 0.30 -1.16 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1djx h ILE 373 Cb -0.13 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1djx h ILE 373 CO -0.06 0.39 0.41 -0.09 0.00 0.00 0.00 178.15 178.79 1djx h ARG 374 N 0.58 0.70 0.00 2.37 2.43 0.44 0.92 114.38 121.83 1djx h ARG 374 Ca 0.10 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1djx h ARG 374 Cb 0.60 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1djx h ARG 374 CO 0.04 0.46 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.99 1djx h ASP 375 N 0.72 0.00 -0.02 -3.80 3.32 -0.34 -3.35 116.42 112.96 1djx h ASP 375 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1djx h ASP 375 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1djx h ASP 375 CO -0.21 0.54 0.00 -1.22 -1.72 0.00 0.00 179.24 176.62 1djx n TYR 376 N -3.72 0.02 -0.32 4.55 4.02 -0.60 -4.74 117.16 116.37 1djx n TYR 376 Ca -0.01 -0.07 0.12 0.00 -0.01 0.00 0.00 57.90 57.93 1djx n TYR 376 Cb 0.58 -0.01 0.30 0.00 -0.02 0.00 0.00 39.34 40.19 1djx n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djx h ALA 377 N 0.71 1.51 -0.21 -0.72 0.00 -0.97 -2.75 119.26 116.83 1djx h ALA 377 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1djx h ALA 377 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1djx h ALA 377 CO 0.00 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.27 1djx n PHE 378 N -4.89 0.47 -0.33 0.00 3.72 -1.26 -4.60 117.46 110.58 1djx n PHE 378 Ca 0.22 -0.69 -0.02 0.00 -0.05 0.00 0.00 57.45 56.90 1djx n PHE 378 Cb 0.58 -0.14 0.13 0.00 -0.94 0.00 0.00 39.48 39.10 1djx n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djx h LYS 379 N 1.31 1.24 0.00 -1.08 3.64 -1.78 -3.15 116.57 116.75 1djx h LYS 379 Ca 0.00 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1djx h LYS 379 Cb 0.96 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1djx h LYS 379 CO 0.07 0.85 -1.72 0.00 -2.27 0.00 0.00 179.45 176.38 1djx n ALA 380 N -2.40 2.64 -3.45 5.00 0.00 -1.26 -4.98 120.51 116.07 1djx n ALA 380 Ca 0.10 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 1djx n ALA 380 Cb 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1djx n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djx s SER 381 N -4.84 -0.58 0.00 0.00 0.15 -1.19 -4.66 113.70 102.57 1djx s SER 381 Ca -0.06 0.42 0.23 0.00 0.70 0.00 0.00 55.95 57.24 1djx s SER 381 Cb 0.12 0.54 0.19 0.00 -1.71 0.00 0.00 66.02 65.16 1djx s SER 381 CO 0.87 -0.71 1.19 -0.81 1.20 0.00 0.00 173.24 174.98 1djx n PRO 382 N 0.51 0.22 -2.03 5.44 -0.04 -1.26 -4.05 135.00 133.78 1djx n PRO 382 Ca -0.18 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 62.79 1djx n PRO 382 Cb 0.60 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1djx n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djx s TYR 383 N -2.89 2.98 0.26 0.54 2.02 -1.26 -0.69 117.35 118.31 1djx s TYR 383 Ca 0.12 1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 58.04 1djx s TYR 383 Cb 0.17 -3.01 -0.14 0.00 -0.40 0.00 0.00 41.96 38.58 1djx s TYR 383 CO 0.73 -1.13 1.13 -0.35 -1.57 0.00 0.00 175.55 174.36 1djx n PRO 384 N -2.05 1.50 -3.97 -1.71 -0.04 -1.26 -4.67 135.00 122.81 1djx n PRO 384 Ca 0.09 0.53 -0.35 0.00 -0.04 0.00 0.00 63.50 63.73 1djx n PRO 384 Cb 0.53 -1.99 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 1djx n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djx s VAL 385 N -0.74 4.97 -0.15 0.52 1.01 -0.53 -4.83 120.40 120.64 1djx s VAL 385 Ca 0.63 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1djx s VAL 385 Cb -0.71 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1djx s VAL 385 CO 0.57 0.50 -0.07 -0.63 0.00 0.00 0.00 175.10 175.47 1djx s ILE 386 N 0.01 3.49 -0.33 2.22 1.01 -0.05 -0.28 121.20 127.28 1djx s ILE 386 Ca 0.07 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 1djx s ILE 386 Cb -0.12 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 1djx s ILE 386 CO 0.01 0.50 0.22 -0.76 0.00 0.00 0.00 174.94 174.90 1djx s LEU 387 N 0.51 4.39 -0.51 2.97 1.43 0.45 -1.24 118.68 126.69 1djx s LEU 387 Ca -0.05 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1djx s LEU 387 Cb -0.15 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.00 1djx s LEU 387 CO 0.03 -0.20 0.70 -0.55 0.23 0.00 0.00 176.35 176.56 1djx s SER 388 N 1.72 6.26 -0.17 2.29 0.15 0.14 -0.32 113.70 123.77 1djx s SER 388 Ca 0.06 -0.72 -0.18 0.00 0.70 0.00 0.00 55.95 55.81 1djx s SER 388 Cb -0.17 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1djx s SER 388 CO 0.10 -0.96 0.49 -0.76 1.20 0.00 0.00 173.24 173.32 1djx s LEU 389 N 2.95 4.19 -0.43 3.45 1.43 0.00 -0.91 118.68 129.36 1djx s LEU 389 Ca 0.19 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 1djx s LEU 389 Cb -0.17 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.47 1djx s LEU 389 CO 0.14 -0.11 0.27 -0.70 0.23 0.00 0.00 176.35 176.18 1djx s GLU 390 N 1.27 2.31 -0.30 1.70 2.12 0.21 -4.55 118.70 121.45 1djx s GLU 390 Ca 0.24 -1.72 -0.19 0.00 0.36 0.00 0.00 54.97 53.66 1djx s GLU 390 Cb -0.15 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1djx s GLU 390 CO 0.10 -1.09 0.57 1.21 -0.54 0.00 0.00 175.26 175.50 1djx s ASN 391 N 2.21 6.43 -0.08 -1.70 2.47 -1.26 -0.61 114.94 122.41 1djx s ASN 391 Ca 0.06 0.35 0.12 0.00 0.42 0.00 0.00 52.86 53.80 1djx s ASN 391 Cb -0.24 -2.30 0.18 0.00 -1.45 0.00 0.00 41.25 37.44 1djx s ASN 391 CO -0.02 -0.42 1.07 1.41 -3.72 0.00 0.00 177.10 175.42 1djx n HIS 392 N 5.75 0.00 -2.83 0.43 8.25 0.12 -4.97 115.22 121.96 1djx n HIS 392 Ca -0.03 -0.68 -0.32 0.00 -0.26 0.00 0.00 57.72 56.44 1djx n HIS 392 Cb 0.49 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 1djx n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djx s SER 394 N -2.73 2.23 0.21 0.00 1.04 -1.26 -4.71 113.70 108.48 1djx s SER 394 Ca 0.55 1.00 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 1djx s SER 394 Cb -0.10 -1.55 0.17 0.00 0.10 0.00 0.00 66.02 64.64 1djx s SER 394 CO 0.24 -3.36 1.88 -0.07 0.98 0.00 0.00 173.24 172.92 1djx h LEU 395 N -2.05 0.90 -0.24 2.42 3.38 -1.94 0.00 115.31 117.79 1djx h LEU 395 Ca -0.52 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1djx h LEU 395 Cb 1.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1djx h LEU 395 CO 0.52 0.66 -0.03 -0.08 0.09 0.00 0.00 178.44 179.60 1djx h GLU 396 N 1.06 0.44 0.00 1.13 4.57 -2.00 -2.36 114.58 117.41 1djx h GLU 396 Ca 0.28 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1djx h GLU 396 Cb -0.11 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1djx h GLU 396 CO -0.06 0.64 -0.22 1.96 -1.18 0.00 0.00 179.01 180.15 1djx h GLN 397 N 0.19 0.00 -0.58 1.92 4.20 -1.83 0.45 115.11 119.47 1djx h GLN 397 Ca 0.06 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1djx h GLN 397 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1djx h GLN 397 CO 0.02 0.22 0.06 1.96 -0.67 0.00 0.00 178.83 180.42 1djx h GLN 398 N 0.00 0.95 -0.56 1.46 4.20 -0.79 0.10 115.11 120.48 1djx h GLN 398 Ca -0.00 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1djx h GLN 398 Cb 0.50 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1djx h GLN 398 CO 0.03 0.90 0.18 0.00 -0.67 0.00 0.00 178.83 179.28 1djx h ARG 399 N 0.89 0.86 -1.00 1.46 3.08 -0.43 -1.32 114.38 117.91 1djx h ARG 399 Ca 0.17 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1djx h ARG 399 Cb 0.44 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 1djx h ARG 399 CO 0.02 0.77 0.66 0.28 -1.07 0.00 0.00 179.97 180.63 1djx h VAL 400 N 0.77 1.20 0.38 2.04 2.07 -0.46 -0.98 116.25 121.27 1djx h VAL 400 Ca 0.18 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1djx h VAL 400 Cb 0.26 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1djx h VAL 400 CO -0.01 0.24 -0.29 0.24 0.02 0.00 0.00 177.57 177.76 1djx h MET 401 N 1.29 -0.65 -0.97 1.57 2.86 -0.18 -0.94 114.93 117.91 1djx h MET 401 Ca 0.39 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.20 1djx h MET 401 Cb -0.04 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 1djx h MET 401 CO -0.11 -0.43 0.62 0.00 1.06 0.00 0.00 176.91 178.04 1djx h ALA 402 N -0.14 1.59 -0.07 6.32 0.00 -0.76 0.13 119.26 126.33 1djx h ALA 402 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djx h ALA 402 Cb 0.58 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1djx h ALA 402 CO -0.01 0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.45 1djx h ARG 403 N 0.93 0.10 -0.32 0.00 3.08 -0.64 -1.60 114.38 115.93 1djx h ARG 403 Ca 0.48 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.54 1djx h ARG 403 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1djx h ARG 403 CO -0.25 0.19 0.16 0.45 -1.07 0.00 0.00 179.97 179.46 1djx h HIS 404 N -0.01 0.31 -0.10 3.04 3.86 -0.31 0.28 115.15 122.22 1djx h HIS 404 Ca 0.02 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1djx h HIS 404 Cb 0.12 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1djx h HIS 404 CO -0.03 0.17 -0.34 -0.07 0.86 0.00 0.00 177.93 178.52 1djx h LEU 405 N 0.34 -1.05 0.02 2.43 3.38 -0.53 0.59 115.31 120.49 1djx h LEU 405 Ca 0.13 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1djx h LEU 405 Cb 0.04 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1djx h LEU 405 CO -0.09 -0.38 -0.01 -0.09 0.09 0.00 0.00 178.44 177.96 1djx h ARG 406 N -0.44 -0.03 -0.62 1.13 2.43 -1.07 0.16 114.38 115.94 1djx h ARG 406 Ca 0.08 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1djx h ARG 406 Cb 0.57 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1djx h ARG 406 CO -0.34 0.18 0.13 0.00 -1.51 0.00 0.00 179.97 178.42 1djx h ALA 407 N 0.75 1.06 0.08 2.80 0.00 -0.10 -0.37 119.26 123.48 1djx h ALA 407 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 1djx h ALA 407 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1djx h ALA 407 CO 0.00 0.62 -1.52 0.82 0.00 0.00 0.00 179.25 179.17 1djx h ILE 408 N 0.94 0.87 0.01 0.00 2.04 0.22 -3.37 117.51 118.22 1djx h ILE 408 Ca 0.20 -2.31 -0.20 0.00 1.00 0.00 0.00 64.86 63.55 1djx h ILE 408 Cb 0.37 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1djx h ILE 408 CO 0.00 0.63 -0.91 -0.07 0.00 0.00 0.00 178.15 177.80 1djx h LEU 409 N -0.43 0.22 0.00 1.44 4.07 -0.79 -3.48 115.31 116.34 1djx h LEU 409 Ca -0.35 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1djx h LEU 409 Cb 1.68 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.35 1djx h LEU 409 CO -0.02 1.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.97 1djx n GLY 410 N 0.96 2.88 0.31 0.83 0.00 -0.15 -1.94 105.19 108.10 1djx n GLY 410 Ca -0.03 -0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.03 1djx n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djx h PRO 411 N 0.00 0.00 -0.23 1.61 0.13 -1.92 -1.93 132.00 129.66 1djx h PRO 411 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1djx h PRO 411 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1djx h PRO 411 CO 0.00 0.01 -0.08 0.82 -0.23 0.00 0.00 178.00 178.53 1djx h ILE 412 N 0.00 1.18 -2.82 -3.56 2.04 -1.67 -3.43 117.51 109.25 1djx h ILE 412 Ca -0.00 -0.78 -0.53 0.00 1.00 0.00 0.00 64.86 64.55 1djx h ILE 412 Cb 0.08 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1djx h ILE 412 CO 0.00 0.25 0.89 -0.22 0.00 0.00 0.00 178.15 179.08 1djx s LEU 413 N -8.89 4.35 -0.41 1.44 2.96 -0.73 -1.34 118.68 116.05 1djx s LEU 413 Ca -0.06 2.36 -0.25 0.00 -0.22 0.00 0.00 54.13 55.96 1djx s LEU 413 Cb 0.15 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.29 1djx s LEU 413 CO 0.75 -0.79 0.89 -0.22 -1.32 0.00 0.00 176.35 175.65 1djx s LEU 414 N 2.15 4.04 0.00 -0.68 2.96 -0.43 -4.84 118.68 121.88 1djx s LEU 414 Ca 0.69 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1djx s LEU 414 Cb -0.37 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.16 1djx s LEU 414 CO 0.30 -0.92 0.94 -0.90 -1.32 0.00 0.00 176.35 174.44 1djx n ASP 415 N 6.88 1.89 -3.68 3.68 5.75 -1.26 -4.66 116.55 125.14 1djx n ASP 415 Ca 0.06 -1.86 -0.15 0.00 -0.01 0.00 0.00 54.79 52.83 1djx n ASP 415 Cb 0.48 -0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 1djx n ASP 415 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1djx s GLN 416 N -0.86 0.75 0.82 0.11 0.74 -1.26 -4.78 119.66 115.17 1djx s GLN 416 Ca 0.01 0.13 -0.14 0.00 0.05 0.00 0.00 55.36 55.41 1djx s GLN 416 Cb 0.00 0.35 0.04 0.00 1.10 0.00 0.00 33.01 34.50 1djx s GLN 416 CO 0.00 -0.20 0.84 -2.30 -0.55 0.00 0.00 175.29 173.09 1djx n PRO 417 N 1.54 0.09 -2.71 1.67 -0.02 -1.26 -4.98 135.00 129.34 1djx n PRO 417 Ca -0.19 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1djx n PRO 417 Cb 0.56 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1djx n PRO 417 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1djx s LEU 418 N -3.15 3.70 -0.02 2.45 1.43 -1.26 -5.04 118.68 116.80 1djx s LEU 418 Ca 0.67 1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.50 1djx s LEU 418 Cb -0.29 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 1djx s LEU 418 CO 0.57 -0.51 0.93 -0.62 0.23 0.00 0.00 176.35 176.94 1djx s ASP 419 N -3.74 7.30 0.00 2.29 2.15 -1.26 -3.46 116.67 119.95 1djx s ASP 419 Ca 0.49 1.57 0.00 0.00 0.43 0.00 0.00 52.55 55.04 1djx s ASP 419 Cb -0.10 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1djx s ASP 419 CO 0.40 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 1djx n GLY 420 N 2.95 0.78 3.44 2.66 0.00 -1.26 -5.02 105.19 108.74 1djx n GLY 420 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1djx n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djx s VAL 421 N -2.28 4.98 0.00 1.61 1.01 -1.22 -4.84 120.40 119.66 1djx s VAL 421 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1djx s VAL 421 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1djx s VAL 421 CO 0.00 -0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.26 1djx n THR 422 N 5.08 0.00 0.85 3.92 -2.24 -1.26 -4.77 114.28 115.86 1djx n THR 422 Ca -0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1djx n THR 422 Cb 0.47 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1djx n THR 422 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1djx n THR 423 N -1.19 0.00 -3.97 4.28 -1.04 -1.26 -5.03 114.28 106.06 1djx n THR 423 Ca 0.00 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1djx n THR 423 Cb 0.08 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 69.57 1djx n THR 423 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1djx s SER 424 N -2.68 0.19 0.62 8.00 0.01 -1.26 -4.92 113.70 113.66 1djx s SER 424 Ca 0.07 -1.09 -0.16 0.00 1.31 0.00 0.00 55.95 56.08 1djx s SER 424 Cb 0.14 0.68 -0.02 0.00 0.21 0.00 0.00 66.02 67.02 1djx s SER 424 CO 0.73 -1.32 1.08 -0.76 0.41 0.00 0.00 173.24 173.39 1djx s LEU 425 N -3.08 3.47 1.19 2.44 1.43 -1.26 -4.93 118.68 117.94 1djx s LEU 425 Ca 0.22 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 1djx s LEU 425 Cb -0.02 -4.54 0.29 0.00 0.03 0.00 0.00 46.19 41.95 1djx s LEU 425 CO 0.12 -1.37 1.02 -2.16 0.23 0.00 0.00 176.35 174.20 1djx s PRO 426 N -4.02 -1.14 0.44 1.29 0.04 -1.26 -4.25 135.00 126.10 1djx s PRO 426 Ca 0.66 0.62 0.07 0.00 0.04 0.00 0.00 61.00 62.39 1djx s PRO 426 Cb -0.18 -1.54 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1djx s PRO 426 CO 0.38 -3.82 0.60 -1.54 0.04 0.00 0.00 177.00 172.67 1djx s SER 427 N -2.79 5.59 0.29 6.66 1.04 -1.24 -0.51 113.70 122.74 1djx s SER 427 Ca 0.68 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.71 1djx s SER 427 Cb -0.22 -0.62 0.45 0.00 0.10 0.00 0.00 66.02 65.73 1djx s SER 427 CO 0.63 -0.83 1.79 -0.65 0.98 0.00 0.00 173.24 175.15 1djx h PRO 428 N 0.56 0.62 -0.29 4.02 0.11 -1.66 -1.89 132.00 133.46 1djx h PRO 428 Ca -0.40 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 1djx h PRO 428 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1djx h PRO 428 CO 0.45 0.68 0.07 0.93 -0.21 0.00 0.00 178.00 179.93 1djx h GLU 429 N 0.58 0.46 0.00 1.05 4.39 -1.78 -0.96 114.58 118.31 1djx h GLU 429 Ca 0.11 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1djx h GLU 429 Cb 0.46 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1djx h GLU 429 CO 0.02 0.53 -0.03 1.96 -1.16 0.00 0.00 179.01 180.34 1djx h GLN 430 N 0.30 0.00 -0.49 2.33 4.20 -1.72 -2.31 115.11 117.42 1djx h GLN 430 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1djx h GLN 430 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1djx h GLN 430 CO 0.00 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.47 1djx n LEU 431 N -3.97 3.47 -4.57 1.46 4.77 -0.75 -4.93 117.00 112.47 1djx n LEU 431 Ca -0.03 -1.74 -0.48 0.00 -0.03 0.00 0.00 56.01 53.73 1djx n LEU 431 Cb 0.11 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1djx n LEU 431 CO 0.29 0.81 0.67 1.17 -1.33 0.00 0.00 177.39 179.00 1djx n LYS 432 N 1.33 1.13 -0.94 3.23 4.81 -0.42 -0.78 118.16 126.53 1djx n LYS 432 Ca 0.19 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1djx n LYS 432 Cb 0.56 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1djx n LYS 432 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1djx n GLY 433 N 1.89 0.45 3.72 3.14 0.00 0.13 -4.91 105.19 109.61 1djx n GLY 433 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1djx n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djx s LYS 434 N -0.55 2.64 -0.19 1.61 -0.14 0.04 -4.72 119.74 118.42 1djx s LYS 434 Ca 0.00 -0.87 -0.02 0.00 -1.36 0.00 0.00 55.97 53.72 1djx s LYS 434 Cb 0.00 -2.56 -0.00 0.00 -1.68 0.00 0.00 37.83 33.59 1djx s LYS 434 CO 0.00 0.52 -0.10 0.42 -0.76 0.00 0.00 175.35 175.43 1djx s ILE 435 N -1.49 2.98 0.24 2.17 1.01 -0.45 -1.45 121.20 124.21 1djx s ILE 435 Ca 0.28 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.39 1djx s ILE 435 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1djx s ILE 435 CO 0.20 0.47 -0.09 -1.48 0.00 0.00 0.00 174.94 174.04 1djx s LEU 436 N 1.24 2.96 -0.04 2.97 2.34 0.62 -1.32 118.68 127.44 1djx s LEU 436 Ca 0.03 -0.73 -0.05 0.00 0.06 0.00 0.00 54.13 53.44 1djx s LEU 436 Cb -0.14 -1.53 -0.04 0.00 -0.56 0.00 0.00 46.19 43.92 1djx s LEU 436 CO -0.04 0.04 0.19 -0.76 -1.06 0.00 0.00 176.35 174.72 1djx s LEU 437 N -3.35 4.38 -0.07 1.48 1.43 -1.26 -0.41 118.68 120.87 1djx s LEU 437 Ca 0.29 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1djx s LEU 437 Cb -0.07 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1djx s LEU 437 CO 0.17 0.30 -0.19 -0.75 0.23 0.00 0.00 176.35 176.11 1djx s LYS 438 N -1.63 2.28 0.00 1.70 2.20 0.57 -4.10 119.74 120.75 1djx s LYS 438 Ca 0.24 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1djx s LYS 438 Cb -0.13 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1djx s LYS 438 CO 0.14 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1djx n GLY 439 N 3.41 -1.41 3.75 5.54 0.00 -0.84 -0.82 105.19 114.82 1djx n GLY 439 Ca -0.20 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1djx n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djx s LYS 440 N -1.55 4.78 0.03 1.61 1.02 -1.26 0.61 119.74 124.98 1djx s LYS 440 Ca 0.00 1.53 0.09 0.00 0.02 0.00 0.00 55.97 57.61 1djx s LYS 440 Cb 0.00 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1djx s LYS 440 CO 0.00 0.39 -0.26 0.21 -0.92 0.00 0.00 175.35 174.76 1djx s LYS 441 N -0.88 1.89 0.05 1.68 2.20 -1.26 -4.75 119.74 118.67 1djx s LYS 441 Ca 0.43 -1.06 -0.35 0.00 -0.36 0.00 0.00 55.97 54.64 1djx s LYS 441 Cb -0.26 -1.99 -0.14 0.00 -1.51 0.00 0.00 37.83 33.93 1djx s LYS 441 CO 0.33 0.52 1.64 1.28 -0.36 0.00 0.00 175.35 178.76 1djx n LEU 442 N 1.97 2.92 -4.57 5.43 4.77 -1.26 -4.85 117.00 121.40 1djx n LEU 442 Ca -0.17 1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 56.47 1djx n LEU 442 Cb 0.52 -1.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1djx n LEU 442 CO 0.23 -0.35 0.44 0.61 -1.33 0.00 0.00 177.39 177.00 1djx n GLY 443 N 3.61 -0.56 0.00 -0.72 0.00 -1.26 -5.01 105.19 101.25 1djx n GLY 443 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1djx n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 444 N 1.36 3.34 2.35 -0.02 0.00 -1.26 -5.12 105.19 105.83 1djx n GLY 444 Ca 0.11 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1djx n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djx n LEU 445 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.29 117.00 116.21 1djx n LEU 445 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1djx n LEU 445 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1djx n LEU 445 CO 0.00 -0.26 0.00 -0.67 -1.33 0.00 0.00 177.39 175.13 1djx n ASP 484 N 1.99 0.00 0.22 -1.43 2.03 -1.26 -5.35 116.55 112.75 1djx n ASP 484 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1djx n ASP 484 Cb 0.00 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.12 1djx n ASP 484 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1djx h LYS 485 N 0.00 0.00 -0.08 -0.67 2.10 -2.01 4.66 116.57 120.58 1djx h LYS 485 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1djx h LYS 485 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1djx h LYS 485 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.73 1djx n LEU 486 N -2.47 2.98 0.00 7.07 4.77 -1.26 -4.36 117.00 123.73 1djx n LEU 486 Ca -0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1djx n LEU 486 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1djx n LEU 486 CO 0.12 0.52 -0.46 0.29 -1.33 0.00 0.00 177.39 176.53 1djx n LYS 487 N 1.31 2.90 -4.79 3.23 5.02 1.18 -4.98 118.16 122.03 1djx n LYS 487 Ca 0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.18 1djx n LYS 487 Cb 0.58 -0.96 -0.16 0.00 -0.02 0.00 0.00 35.03 34.46 1djx n LYS 487 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1djx s LEU 488 N -4.02 1.89 0.07 -0.35 1.43 1.27 -4.86 118.68 114.11 1djx s LEU 488 Ca 0.00 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 1djx s LEU 488 Cb 0.00 -0.93 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1djx s LEU 488 CO 0.00 0.14 0.44 0.68 0.23 0.00 0.00 176.35 177.84 1djx s VAL 489 N 0.10 5.00 0.39 -1.59 -7.23 -1.26 -4.41 120.40 111.39 1djx s VAL 489 Ca -0.05 0.71 0.07 0.00 -1.81 0.00 0.00 61.98 60.90 1djx s VAL 489 Cb -0.12 -3.70 0.28 0.00 0.56 0.00 0.00 36.38 33.40 1djx s VAL 489 CO 0.02 0.39 2.02 -0.65 -0.31 0.00 0.00 175.10 176.58 1djx h PRO 490 N 4.06 0.62 -1.00 4.82 0.11 -1.96 -0.39 132.00 138.26 1djx h PRO 490 Ca -0.50 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.77 1djx h PRO 490 Cb 1.20 -0.14 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 1djx h PRO 490 CO 0.64 0.41 0.60 0.93 -0.21 0.00 0.00 178.00 180.37 1djx h GLU 491 N 0.64 0.72 0.00 1.05 3.07 -1.95 0.47 114.58 118.57 1djx h GLU 491 Ca 0.21 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1djx h GLU 491 Cb 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1djx h GLU 491 CO -0.05 0.48 -0.71 1.25 -1.40 0.00 0.00 179.01 178.57 1djx h LEU 492 N 0.74 0.00 -1.59 1.33 7.12 -1.72 -3.37 115.31 117.83 1djx h LEU 492 Ca 0.58 -0.27 0.22 0.00 0.13 0.00 0.00 57.88 58.55 1djx h LEU 492 Cb 0.92 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.98 1djx h LEU 492 CO -0.39 1.03 0.61 -1.28 -0.13 0.00 0.00 178.44 178.28 1djx h SER 493 N -1.00 0.33 0.89 1.25 0.87 -0.89 0.86 113.55 115.87 1djx h SER 493 Ca -0.13 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1djx h SER 493 Cb 0.80 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1djx h SER 493 CO -0.08 0.12 0.00 0.47 -0.53 0.00 0.00 176.83 176.81 1djx n ASP 494 N -4.48 0.54 -0.18 6.23 8.00 0.16 -2.43 116.55 124.38 1djx n ASP 494 Ca 0.20 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.43 1djx n ASP 494 Cb 0.77 -0.73 0.38 0.00 -0.02 0.00 0.00 41.12 41.52 1djx n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1djx n MET 495 N -2.06 0.66 -2.95 -1.24 2.81 0.29 -4.74 117.12 109.90 1djx n MET 495 Ca 0.04 -0.37 -0.43 0.00 -1.81 0.00 0.00 57.70 55.13 1djx n MET 495 Cb 0.28 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 1djx n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djx s ILE 496 N -2.60 4.58 -0.11 2.02 -1.09 -1.02 -4.47 121.20 118.52 1djx s ILE 496 Ca 0.22 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.69 1djx s ILE 496 Cb 0.19 -4.41 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1djx s ILE 496 CO 0.55 -0.91 -0.25 -0.38 -1.23 0.00 0.00 174.94 172.72 1djx n ILE 497 N 6.05 1.40 0.85 2.92 2.08 -1.26 -4.84 119.36 126.56 1djx n ILE 497 Ca 0.00 0.18 0.09 0.00 0.56 0.00 0.00 62.75 63.58 1djx n ILE 497 Cb 0.47 -2.10 -0.10 0.00 -0.75 0.00 0.00 39.64 37.16 1djx n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1djx n TYR 498 N -4.16 0.00 -3.45 1.39 4.01 -1.26 -4.74 117.16 108.95 1djx n TYR 498 Ca -0.12 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.35 1djx n TYR 498 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1djx n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djx s LYS 500 N -1.72 4.01 0.07 0.00 2.20 -0.34 -1.99 119.74 121.97 1djx s LYS 500 Ca 0.35 0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 56.46 1djx s LYS 500 Cb 0.11 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1djx s LYS 500 CO -0.08 -0.77 1.49 0.45 -0.36 0.00 0.00 175.35 176.08 1djx s SER 501 N 1.62 6.74 0.09 1.43 0.15 0.20 -0.14 113.70 123.79 1djx s SER 501 Ca 0.38 2.34 0.01 0.00 0.70 0.00 0.00 55.95 59.37 1djx s SER 501 Cb -0.13 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1djx s SER 501 CO 0.13 -0.76 -0.04 -0.69 1.20 0.00 0.00 173.24 173.08 1djx s VAL 502 N 1.99 0.50 0.03 4.45 1.01 -0.11 -4.61 120.40 123.67 1djx s VAL 502 Ca 0.68 -1.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1djx s VAL 502 Cb -0.37 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1djx s VAL 502 CO 0.30 -0.87 0.53 -1.00 0.00 0.00 0.00 175.10 174.06 1djx s HIS 503 N -3.75 3.76 0.02 5.22 3.76 -1.26 -4.03 115.29 119.00 1djx s HIS 503 Ca 0.12 1.18 -0.33 0.00 -0.15 0.00 0.00 55.06 55.87 1djx s HIS 503 Cb 0.06 -2.47 -0.12 0.00 1.11 0.00 0.00 32.58 31.16 1djx s HIS 503 CO -0.06 0.54 1.80 0.34 -0.85 0.00 0.00 174.74 176.51 1djx n PHE 504 N 2.01 2.37 -0.08 1.40 7.35 -1.26 -4.87 117.46 124.38 1djx n PHE 504 Ca -0.10 0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.52 1djx n PHE 504 Cb 0.51 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 37.66 1djx n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1djx n GLY 505 N 4.11 -0.85 0.00 7.13 0.00 -1.26 -5.10 105.19 109.21 1djx n GLY 505 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1djx n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 506 N 1.55 1.87 3.62 -0.02 0.00 -1.26 -5.08 105.19 105.87 1djx n GLY 506 Ca -0.13 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1djx n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djx s PHE 507 N -2.00 3.28 0.52 1.61 0.08 -1.26 -3.79 117.98 116.42 1djx s PHE 507 Ca 0.00 0.55 0.07 0.00 0.12 0.00 0.00 56.93 57.66 1djx s PHE 507 Cb 0.00 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.86 1djx s PHE 507 CO 0.00 -0.20 0.45 -1.54 -0.10 0.00 0.00 175.22 173.82 1djx s SER 508 N 1.48 4.77 0.00 1.36 1.04 -1.26 -4.86 113.70 116.23 1djx s SER 508 Ca 0.18 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1djx s SER 508 Cb -0.16 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1djx s SER 508 CO 0.09 -1.04 0.00 -1.54 0.98 0.00 0.00 173.24 171.73 1djx n SER 509 N -1.78 0.00 -4.39 7.02 3.41 -1.26 -4.59 113.62 112.02 1djx n SER 509 Ca 0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.18 1djx n SER 509 Cb 0.63 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1djx n SER 509 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1djx s PRO 510 N -0.58 3.99 0.00 4.33 0.02 -1.26 -5.10 135.00 136.40 1djx s PRO 510 Ca 0.00 -2.68 0.00 0.00 0.02 0.00 0.00 61.00 58.34 1djx s PRO 510 Cb 0.00 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.77 1djx s PRO 510 CO 0.00 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.58 1djx n GLY 511 N 3.76 4.62 1.53 0.52 0.00 -1.26 -5.06 105.19 109.30 1djx n GLY 511 Ca 0.26 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1djx n GLY 511 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1djx n THR 512 N 0.00 1.95 -0.11 2.61 -2.24 -1.26 -4.28 114.28 110.94 1djx n THR 512 Ca 0.00 -0.84 -0.21 0.00 -2.27 0.00 0.00 64.05 60.73 1djx n THR 512 Cb 0.00 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 1djx n THR 512 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1djx n SER 513 N -0.21 1.82 -4.57 3.42 2.88 -1.26 -4.86 113.62 110.84 1djx n SER 513 Ca 0.26 0.15 -0.40 0.00 -1.33 0.00 0.00 58.87 57.55 1djx n SER 513 Cb 1.01 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1djx n SER 513 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1djx s GLY 514 N -5.59 0.32 0.06 0.46 0.00 -1.25 -4.62 107.32 96.71 1djx s GLY 514 Ca -0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 1djx s GLY 514 CO 0.41 3.46 -0.08 0.61 0.00 0.00 0.00 173.10 177.51 1djx n GLN 515 N 8.90 0.00 -1.94 2.90 10.64 -1.26 -4.90 117.38 131.71 1djx n GLN 515 Ca 0.23 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 55.09 1djx n GLN 515 Cb 0.51 -0.06 0.01 0.00 -0.86 0.00 0.00 30.24 29.84 1djx n GLN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djx s ALA 516 N -0.11 2.93 0.57 2.61 0.00 -1.26 -4.88 121.76 121.62 1djx s ALA 516 Ca 0.02 0.09 0.30 0.00 0.00 0.00 0.00 51.96 52.37 1djx s ALA 516 Cb 0.00 -3.14 1.45 0.00 0.00 0.00 0.00 23.12 21.44 1djx s ALA 516 CO 0.04 -0.74 1.85 0.27 0.00 0.00 0.00 175.76 177.18 1djx h PHE 517 N -0.02 0.00 -0.62 0.00 -5.15 -1.91 0.78 116.94 110.01 1djx h PHE 517 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1djx h PHE 517 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 1djx h PHE 517 CO 0.63 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.42 1djx n TYR 518 N -3.92 1.51 -4.62 6.09 4.11 -1.26 -4.65 117.16 114.42 1djx n TYR 518 Ca 0.14 -0.59 -0.33 0.00 -0.00 0.00 0.00 57.90 57.12 1djx n TYR 518 Cb 0.86 -0.27 -0.13 0.00 -0.00 0.00 0.00 39.34 39.80 1djx n TYR 518 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1djx s GLU 519 N -1.94 3.34 -0.13 -3.48 2.02 0.27 -1.20 118.70 117.58 1djx s GLU 519 Ca 0.50 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.91 1djx s GLU 519 Cb 0.33 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.85 1djx s GLU 519 CO 0.23 0.33 -0.18 1.41 0.02 0.00 0.00 175.26 177.06 1djx s MET 520 N 0.09 2.62 0.14 1.61 1.75 0.80 -4.53 119.30 121.79 1djx s MET 520 Ca -0.03 -0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 53.65 1djx s MET 520 Cb -0.14 -2.18 -0.06 0.00 2.84 0.00 0.00 34.83 35.29 1djx s MET 520 CO 0.04 -0.06 0.38 0.00 -0.65 0.00 0.00 175.02 174.73 1djx s ALA 521 N 0.95 3.78 -0.02 4.11 0.00 -1.25 -0.93 121.76 128.40 1djx s ALA 521 Ca -0.06 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1djx s ALA 521 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1djx s ALA 521 CO -0.03 0.66 -0.14 -1.12 0.00 0.00 0.00 175.76 175.14 1djx s SER 522 N -2.41 4.08 -0.00 0.00 0.01 -1.26 -1.34 113.70 112.77 1djx s SER 522 Ca 0.41 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1djx s SER 522 Cb -0.12 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.27 1djx s SER 522 CO 0.24 0.32 -0.07 -0.36 0.41 0.00 0.00 173.24 173.78 1djx s PHE 523 N -0.82 0.61 0.64 2.43 0.40 0.13 -4.77 117.98 116.60 1djx s PHE 523 Ca 0.13 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1djx s PHE 523 Cb -0.11 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.01 1djx s PHE 523 CO 0.03 -0.01 1.04 -1.54 0.70 0.00 0.00 175.22 175.44 1djx s SER 524 N -0.22 5.77 0.23 1.36 1.04 -1.26 -1.15 113.70 119.47 1djx s SER 524 Ca 0.02 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.99 1djx s SER 524 Cb -0.03 -2.50 0.39 0.00 0.10 0.00 0.00 66.02 63.98 1djx s SER 524 CO -0.00 -1.17 1.66 -0.08 0.98 0.00 0.00 173.24 174.63 1djx h GLU 525 N -0.21 0.16 0.07 4.02 4.81 -0.40 0.24 114.58 123.28 1djx h GLU 525 Ca -0.45 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1djx h GLU 525 Cb 1.21 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1djx h GLU 525 CO 0.58 0.11 -0.04 0.77 -0.73 0.00 0.00 179.01 179.70 1djx h SER 526 N 0.17 -0.10 -0.49 1.04 0.02 -1.92 0.72 113.55 112.99 1djx h SER 526 Ca 0.38 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1djx h SER 526 Cb 0.64 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1djx h SER 526 CO -0.56 -0.07 0.07 -0.09 -1.14 0.00 0.00 176.83 175.04 1djx h ARG 527 N -0.11 0.81 -0.53 3.45 2.43 -1.68 -1.83 114.38 116.93 1djx h ARG 527 Ca -0.01 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1djx h ARG 527 Cb 0.09 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1djx h ARG 527 CO 0.01 0.82 0.26 0.00 -1.51 0.00 0.00 179.97 179.55 1djx h ALA 528 N 0.96 0.68 -0.77 2.80 0.00 -0.25 -0.76 119.26 121.91 1djx h ALA 528 Ca 0.15 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1djx h ALA 528 Cb 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1djx h ALA 528 CO 0.01 -0.09 0.51 -0.07 0.00 0.00 0.00 179.25 179.61 1djx h LEU 529 N 0.50 0.88 -0.13 0.00 3.38 -0.49 0.10 115.31 119.55 1djx h LEU 529 Ca 0.24 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1djx h LEU 529 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1djx h LEU 529 CO -0.17 0.64 0.06 -0.09 0.09 0.00 0.00 178.44 178.96 1djx h ARG 530 N 1.04 0.12 -1.01 1.13 2.43 -0.49 0.36 114.38 117.97 1djx h ARG 530 Ca 0.29 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1djx h ARG 530 Cb -0.11 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 1djx h ARG 530 CO -0.07 0.08 0.66 -0.07 -1.51 0.00 0.00 179.97 179.06 1djx h LEU 531 N 0.13 1.09 -0.95 3.80 3.38 -0.64 0.44 115.31 122.55 1djx h LEU 531 Ca 0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1djx h LEU 531 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1djx h LEU 531 CO -0.04 0.74 -0.42 -0.07 0.09 0.00 0.00 178.44 178.73 1djx h LEU 532 N 1.26 0.23 -0.17 1.67 3.38 -0.30 0.78 115.31 122.15 1djx h LEU 532 Ca 0.41 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 1djx h LEU 532 Cb 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1djx h LEU 532 CO -0.13 0.63 -0.23 -0.61 0.09 0.00 0.00 178.44 178.18 1djx h GLN 533 N 0.18 0.46 0.00 1.13 5.75 0.12 -3.15 115.11 119.60 1djx h GLN 533 Ca 0.02 -0.26 -0.30 0.00 -0.15 0.00 0.00 58.65 57.95 1djx h GLN 533 Cb 0.82 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.34 1djx h GLN 533 CO 0.06 0.85 -1.98 0.39 -2.65 0.00 0.00 178.83 175.50 1djx n GLU 534 N -4.44 0.66 -2.68 1.69 1.02 0.14 -4.68 120.64 112.34 1djx n GLU 534 Ca -0.06 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1djx n GLU 534 Cb 0.43 -1.67 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1djx n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1djx n SER 535 N -2.86 1.11 -0.18 1.62 7.64 0.27 -4.96 113.62 116.25 1djx n SER 535 Ca -0.22 -2.70 -0.05 0.00 1.01 0.00 0.00 58.87 56.90 1djx n SER 535 Cb 1.05 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 1djx n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1djx h GLY 536 N 2.91 -0.07 1.51 0.23 0.00 -1.48 0.14 103.07 106.31 1djx h GLY 536 Ca -0.11 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1djx h GLY 536 CO 0.45 -0.21 0.27 -0.57 0.00 0.00 0.00 176.54 176.47 1djx h ASN 537 N -0.17 0.57 -0.59 0.19 -0.73 -1.90 0.20 115.58 113.17 1djx h ASN 537 Ca 0.23 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.31 1djx h ASN 537 Cb 0.54 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1djx h ASN 537 CO -0.64 0.46 0.17 1.23 -0.37 0.00 0.00 177.43 178.28 1djx h GLY 538 N 0.72 0.99 0.86 1.57 0.00 -1.15 0.14 103.07 106.20 1djx h GLY 538 Ca 0.17 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1djx h GLY 538 CO -0.03 0.55 0.01 -2.75 0.00 0.00 0.00 176.54 174.32 1djx h PHE 539 N 0.83 0.50 0.44 5.60 3.04 -0.13 0.34 116.94 127.56 1djx h PHE 539 Ca 0.19 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1djx h PHE 539 Cb 0.30 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1djx h PHE 539 CO 0.02 0.61 -0.39 0.28 -2.02 0.00 0.00 178.31 176.81 1djx h VAL 540 N 0.24 0.20 -0.90 1.41 2.07 -0.21 0.39 116.25 119.45 1djx h VAL 540 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1djx h VAL 540 Cb 0.41 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1djx h VAL 540 CO 0.01 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.22 1djx h ARG 541 N -0.84 1.06 0.00 1.57 3.08 -0.69 0.20 114.38 118.76 1djx h ARG 541 Ca -0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1djx h ARG 541 Cb 0.74 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1djx h ARG 541 CO -0.03 0.70 -0.15 1.25 -1.07 0.00 0.00 179.97 180.66 1djx h HIS 542 N 1.09 0.00 -0.01 3.04 2.76 0.39 -2.58 115.15 119.83 1djx h HIS 542 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1djx h HIS 542 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1djx h HIS 542 CO -0.00 0.15 -0.02 0.09 -1.30 0.00 0.00 177.93 176.85 1djx n ASN 543 N -3.64 1.44 -0.13 3.26 3.02 0.13 -3.09 115.26 116.26 1djx n ASN 543 Ca -0.01 -1.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.98 1djx n ASN 543 Cb 0.28 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1djx n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djx h VAL 544 N 2.23 1.28 -0.00 2.41 2.07 -1.10 -3.35 116.25 119.79 1djx h VAL 544 Ca 0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1djx h VAL 544 Cb 0.49 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1djx h VAL 544 CO 0.00 0.43 -0.06 -1.54 0.02 0.00 0.00 177.57 176.42 1djx n SER 545 N -4.28 0.74 -4.26 0.57 3.41 -1.25 -4.43 113.62 104.11 1djx n SER 545 Ca -0.02 -0.87 -0.29 0.00 -0.26 0.00 0.00 58.87 57.43 1djx n SER 545 Cb 0.41 0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 64.65 1djx n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djx s LEU 547 N -0.47 4.61 -0.02 0.00 1.43 -1.26 -4.38 118.68 118.59 1djx s LEU 547 Ca 0.07 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1djx s LEU 547 Cb -0.10 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1djx s LEU 547 CO -0.00 0.15 -0.19 -0.44 0.23 0.00 0.00 176.35 176.11 1djx s SER 548 N -1.04 2.21 -0.11 2.29 0.01 -1.26 -3.89 113.70 111.90 1djx s SER 548 Ca 0.40 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 1djx s SER 548 Cb -0.25 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 1djx s SER 548 CO 0.30 0.22 -0.06 -0.60 0.41 0.00 0.00 173.24 173.51 1djx s ARG 549 N -0.37 3.21 -0.01 12.44 3.52 -0.45 -1.77 118.95 135.51 1djx s ARG 549 Ca 0.05 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1djx s ARG 549 Cb -0.08 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1djx s ARG 549 CO -0.00 0.44 -0.24 0.42 -0.81 0.00 0.00 175.30 175.11 1djx s ILE 550 N -0.21 2.26 0.08 4.11 -1.09 0.05 0.20 121.20 126.60 1djx s ILE 550 Ca 0.03 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1djx s ILE 550 Cb -0.13 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1djx s ILE 550 CO 0.03 0.54 -0.06 -0.72 -1.23 0.00 0.00 174.94 173.49 1djx s TYR 551 N -0.67 0.80 0.52 3.97 1.13 -0.30 -0.68 117.35 122.11 1djx s TYR 551 Ca 0.11 -0.88 -0.23 0.00 -1.41 0.00 0.00 57.07 54.66 1djx s TYR 551 Cb -0.10 -0.48 -0.06 0.00 -1.10 0.00 0.00 41.96 40.22 1djx s TYR 551 CO -0.00 -0.18 1.36 -2.30 -2.51 0.00 0.00 175.55 171.92 1djx n PRO 552 N 0.21 1.81 -1.66 -3.49 -0.02 -1.26 0.30 135.00 130.89 1djx n PRO 552 Ca -0.14 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1djx n PRO 552 Cb 0.60 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1djx n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1djx n ALA 553 N -0.82 0.70 -0.15 3.55 0.00 -1.26 -4.57 120.51 117.97 1djx n ALA 553 Ca 0.09 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1djx n ALA 553 Cb 0.44 -2.20 0.44 0.00 0.00 0.00 0.00 19.45 18.13 1djx n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1djx h GLY 554 N 1.00 0.79 1.85 0.00 0.00 -2.01 -1.37 103.07 103.33 1djx h GLY 554 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1djx h GLY 554 CO 0.54 0.14 0.00 -2.67 0.00 0.00 0.00 176.54 174.55 1djx n TRP 555 N -4.49 0.00 -1.26 5.60 4.27 -1.26 -3.78 117.44 116.52 1djx n TRP 555 Ca 0.11 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.50 1djx n TRP 555 Cb 0.35 -0.43 -0.11 0.00 -1.36 0.00 0.00 31.31 29.77 1djx n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djx n ARG 556 N -1.43 2.54 0.02 -2.67 1.74 -0.52 -4.52 116.66 111.82 1djx n ARG 556 Ca 0.03 -1.74 0.06 0.00 -0.77 0.00 0.00 57.85 55.43 1djx n ARG 556 Cb 0.11 -2.19 0.25 0.00 -1.02 0.00 0.00 32.46 29.61 1djx n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djx n THR 557 N 2.09 1.26 1.48 0.55 -2.24 -1.25 -0.21 114.28 115.97 1djx n THR 557 Ca 0.51 0.33 0.11 0.00 -2.27 0.00 0.00 64.05 62.74 1djx n THR 557 Cb 0.67 -1.18 0.48 0.00 -2.10 0.00 0.00 70.33 68.21 1djx n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djx n ASP 558 N -1.59 1.20 -1.26 3.42 5.68 -1.26 -0.93 116.55 121.81 1djx n ASP 558 Ca 0.02 -1.56 -0.13 0.00 -0.50 0.00 0.00 54.79 52.62 1djx n ASP 558 Cb 0.12 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 1djx n ASP 558 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1djx n SER 559 N -0.01 -4.42 -4.63 -1.12 7.64 0.71 -4.68 113.62 107.10 1djx n SER 559 Ca 0.17 0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 1djx n SER 559 Cb 0.27 -3.33 0.19 0.00 -1.01 0.00 0.00 64.21 60.33 1djx n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djx s SER 560 N -2.64 2.34 0.12 6.43 1.04 -1.25 -4.68 113.70 115.06 1djx s SER 560 Ca 0.00 1.41 0.08 0.00 0.48 0.00 0.00 55.95 57.93 1djx s SER 560 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1djx s SER 560 CO 0.00 -3.34 -0.20 0.20 0.98 0.00 0.00 173.24 170.88 1djx s ASN 561 N -3.13 2.61 0.54 7.02 0.01 -1.26 -4.76 114.94 115.97 1djx s ASN 561 Ca 0.66 -0.74 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 1djx s ASN 561 Cb -0.21 -0.15 0.06 0.00 0.41 0.00 0.00 41.25 41.36 1djx s ASN 561 CO 0.59 0.04 0.75 -0.72 -1.51 0.00 0.00 177.10 176.25 1djx s TYR 562 N -1.41 2.25 -0.13 2.20 1.13 -1.26 -4.94 117.35 115.19 1djx s TYR 562 Ca 0.09 -0.36 -0.29 0.00 -1.41 0.00 0.00 57.07 55.09 1djx s TYR 562 Cb -0.09 -2.54 -0.01 0.00 -1.10 0.00 0.00 41.96 38.22 1djx s TYR 562 CO 0.05 -0.95 1.13 0.45 -2.51 0.00 0.00 175.55 173.72 1djx s SER 563 N -4.52 7.09 0.29 -0.18 0.15 -1.26 -4.85 113.70 110.42 1djx s SER 563 Ca 0.59 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.92 1djx s SER 563 Cb -0.08 -2.55 0.45 0.00 -1.71 0.00 0.00 66.02 62.13 1djx s SER 563 CO 0.38 -0.61 1.71 1.55 1.20 0.00 0.00 173.24 177.47 1djx h PRO 564 N 7.54 0.32 -0.78 5.44 0.13 -1.96 -3.20 132.00 139.48 1djx h PRO 564 Ca -0.28 -0.14 0.13 0.00 -0.87 0.00 0.00 66.00 64.84 1djx h PRO 564 Cb 1.12 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1djx h PRO 564 CO 0.92 0.64 0.36 0.28 -0.23 0.00 0.00 178.00 179.96 1djx h VAL 565 N 0.27 0.72 0.00 1.56 2.07 -1.96 0.34 116.25 119.25 1djx h VAL 565 Ca 0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1djx h VAL 565 Cb 0.75 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1djx h VAL 565 CO 0.06 0.10 -0.03 1.05 0.02 0.00 0.00 177.57 178.77 1djx h GLU 566 N 0.54 0.00 0.18 1.57 4.11 -1.89 0.35 114.58 119.44 1djx h GLU 566 Ca 0.42 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.52 1djx h GLU 566 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1djx h GLU 566 CO -0.36 0.03 -1.62 0.52 0.07 0.00 0.00 179.01 177.65 1djx h MET 567 N 0.00 0.39 0.00 1.06 2.86 -0.56 -3.28 114.93 115.39 1djx h MET 567 Ca -0.00 -0.66 -0.04 0.00 -2.06 0.00 0.00 59.70 56.94 1djx h MET 567 Cb 0.08 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1djx h MET 567 CO 0.00 1.32 -0.17 -1.49 1.06 0.00 0.00 176.91 177.63 1djx h TRP 568 N 0.02 0.00 0.00 -0.22 6.55 -0.58 -0.74 115.95 120.98 1djx h TRP 568 Ca -0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.52 1djx h TRP 568 Cb 2.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.33 1djx h TRP 568 CO 0.11 0.17 0.00 0.09 -1.05 0.00 0.00 178.44 177.76 1djx n ASN 569 N -4.32 0.00 -0.47 -3.49 3.02 0.06 -0.87 115.26 109.20 1djx n ASN 569 Ca -0.02 0.19 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 1djx n ASN 569 Cb 0.23 -0.32 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1djx n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djx n GLY 570 N -0.35 1.76 1.94 7.41 0.00 -0.33 -4.43 105.19 111.19 1djx n GLY 570 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1djx n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 571 N 0.38 0.77 3.71 -0.02 0.00 -0.04 -3.54 105.19 106.44 1djx n GLY 571 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1djx n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n GLN 573 N 4.31 0.92 -2.99 0.00 0.00 -1.24 -4.27 117.38 114.09 1djx n GLN 573 Ca 0.14 0.05 -0.41 0.00 0.00 0.00 0.00 57.00 56.78 1djx n GLN 573 Cb 0.40 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1djx n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djx n ILE 574 N -2.86 5.19 -2.79 -0.39 5.41 -0.73 -0.27 119.36 122.92 1djx n ILE 574 Ca -0.33 -5.89 -0.43 0.00 1.00 0.00 0.00 62.75 57.10 1djx n ILE 574 Cb 0.98 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 1djx n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djx s VAL 575 N -2.97 4.31 -0.07 1.39 1.01 -1.26 -0.77 120.40 122.03 1djx s VAL 575 Ca 0.33 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1djx s VAL 575 Cb 0.08 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 1djx s VAL 575 CO 0.07 -1.61 1.00 0.00 0.00 0.00 0.00 175.10 174.56 1djx s ALA 576 N 3.99 3.32 0.31 5.51 0.00 0.15 -4.25 121.76 130.78 1djx s ALA 576 Ca 0.32 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.80 1djx s ALA 576 Cb -0.09 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1djx s ALA 576 CO 0.01 -0.47 -0.09 -0.51 0.00 0.00 0.00 175.76 174.70 1djx s LEU 577 N 1.64 2.63 -0.68 0.00 1.43 -0.81 -4.19 118.68 118.70 1djx s LEU 577 Ca 0.50 -1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 52.18 1djx s LEU 577 Cb -0.19 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.21 1djx s LEU 577 CO 0.22 -0.23 1.07 0.20 0.23 0.00 0.00 176.35 177.83 1djx s ASN 578 N -3.53 6.18 0.44 2.29 0.01 -1.26 0.06 114.94 119.12 1djx s ASN 578 Ca 0.31 -0.78 0.30 0.00 -0.71 0.00 0.00 52.86 51.98 1djx s ASN 578 Cb 0.02 -2.47 1.57 0.00 0.41 0.00 0.00 41.25 40.78 1djx s ASN 578 CO 0.14 -1.57 1.90 -0.26 -1.51 0.00 0.00 177.10 175.81 1djx h PHE 579 N 9.71 0.00 -0.00 2.20 -1.00 -1.93 -2.43 116.94 123.49 1djx h PHE 579 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1djx h PHE 579 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1djx h PHE 579 CO 1.02 0.00 -0.17 0.00 -1.61 0.00 0.00 178.31 177.55 1djx n GLN 580 N -2.55 0.30 -3.59 1.51 0.00 -1.26 -4.80 117.38 106.99 1djx n GLN 580 Ca -0.02 -0.10 -0.40 0.00 0.00 0.00 0.00 57.00 56.48 1djx n GLN 580 Cb 0.07 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.70 1djx n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djx s THR 581 N -2.76 4.76 0.55 -0.39 2.01 -0.92 -4.97 115.64 113.92 1djx s THR 581 Ca 0.20 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 1djx s THR 581 Cb 0.19 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1djx s THR 581 CO 0.55 -0.12 1.24 -2.84 -0.69 0.00 0.00 174.62 172.75 1djx s PRO 582 N 1.61 3.17 0.00 4.92 0.02 -1.26 -4.62 135.00 138.84 1djx s PRO 582 Ca 0.04 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1djx s PRO 582 Cb -0.18 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1djx s PRO 582 CO 0.07 -1.07 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 1djx n GLY 583 N 0.56 2.56 0.41 0.52 0.00 -1.26 -4.93 105.19 103.04 1djx n GLY 583 Ca 0.12 -1.10 0.21 0.00 0.00 0.00 0.00 46.02 45.25 1djx n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djx h PRO 584 N 0.00 0.20 0.15 1.61 0.11 -1.97 0.47 132.00 132.57 1djx h PRO 584 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1djx h PRO 584 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1djx h PRO 584 CO 0.00 0.13 -0.07 0.93 -0.21 0.00 0.00 178.00 178.78 1djx h GLU 585 N 0.21 -0.20 0.00 1.05 3.07 -1.92 0.22 114.58 117.01 1djx h GLU 585 Ca 0.39 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.19 1djx h GLU 585 Cb 1.21 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1djx h GLU 585 CO -0.08 0.10 -0.35 0.52 -1.40 0.00 0.00 179.01 177.80 1djx h MET 586 N -0.50 0.00 0.05 2.33 2.86 -1.66 -1.43 114.93 116.59 1djx h MET 586 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1djx h MET 586 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1djx h MET 586 CO 0.03 0.35 -0.03 -0.44 1.06 0.00 0.00 176.91 177.89 1djx h ASP 587 N 0.00 -0.06 0.24 1.22 3.32 -0.59 0.12 116.42 120.67 1djx h ASP 587 Ca -0.00 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 1djx h ASP 587 Cb 0.74 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1djx h ASP 587 CO 0.05 0.15 -0.27 0.58 -1.72 0.00 0.00 179.24 178.02 1djx h VAL 588 N -0.27 1.21 0.13 -1.35 2.07 -0.38 -1.50 116.25 116.15 1djx h VAL 588 Ca -0.01 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1djx h VAL 588 Cb 0.24 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1djx h VAL 588 CO 0.01 0.29 -0.06 0.22 0.02 0.00 0.00 177.57 178.05 1djx h TYR 589 N 0.06 -0.16 0.00 1.57 3.20 -0.80 -1.99 116.97 118.85 1djx h TYR 589 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1djx h TYR 589 Cb 0.51 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1djx h TYR 589 CO 0.00 0.23 0.00 -0.07 -1.64 0.00 0.00 178.16 176.68 1djx h LEU 590 N -0.58 0.00 -0.05 2.82 3.38 -0.72 -1.83 115.31 118.34 1djx h LEU 590 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1djx h LEU 590 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1djx h LEU 590 CO 0.03 0.00 -0.09 1.23 0.09 0.00 0.00 178.44 179.70 1djx h GLY 591 N 2.28 0.15 0.82 0.83 0.00 -1.04 -2.08 103.07 104.03 1djx h GLY 591 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1djx h GLY 591 CO 0.00 0.16 0.38 0.00 0.00 0.00 0.00 176.54 177.08 1djx n PHE 593 N -4.74 0.10 0.09 0.00 3.72 -0.71 -2.29 117.46 113.63 1djx n PHE 593 Ca 0.07 -0.05 -0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1djx n PHE 593 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1djx n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djx h GLN 594 N 0.81 0.00 -7.26 -1.08 5.75 -0.77 -3.25 115.11 109.32 1djx h GLN 594 Ca 0.00 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 58.02 1djx h GLN 594 Cb 0.18 0.00 0.18 0.00 1.07 0.00 0.00 27.48 28.91 1djx h GLN 594 CO 0.00 0.54 0.17 0.34 -2.65 0.00 0.00 178.83 177.22 1djx s ASP 595 N -6.32 2.54 -1.55 -0.69 -1.08 -0.97 -2.49 116.67 106.10 1djx s ASP 595 Ca 0.01 1.69 -0.12 0.00 -0.52 0.00 0.00 52.55 53.61 1djx s ASP 595 Cb 0.08 -2.32 0.09 0.00 -1.46 0.00 0.00 42.92 39.31 1djx s ASP 595 CO 0.78 -3.26 0.78 -3.20 0.52 0.00 0.00 175.17 170.79 1djx n ASN 596 N -4.30 -3.07 -0.13 -0.34 5.15 -0.72 -0.68 115.26 111.16 1djx n ASN 596 Ca 0.07 -0.91 -0.02 0.00 -0.60 0.00 0.00 54.58 53.12 1djx n ASN 596 Cb 0.54 -3.33 -0.01 0.00 -0.53 0.00 0.00 39.78 36.46 1djx n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djx n GLY 597 N -1.63 0.40 2.69 8.20 0.00 -0.64 -2.74 105.19 111.47 1djx n GLY 597 Ca -0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1djx n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 598 N -1.13 -0.41 0.14 -0.02 0.00 0.14 -4.68 105.19 99.22 1djx n GLY 598 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1djx n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n GLY 600 N 1.25 0.41 2.90 0.00 0.00 -1.26 -4.61 105.19 103.88 1djx n GLY 600 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1djx n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djx s TYR 601 N -2.00 1.56 -0.16 1.61 2.02 -1.26 -1.55 117.35 117.57 1djx s TYR 601 Ca 0.00 -0.85 0.01 0.00 -0.37 0.00 0.00 57.07 55.87 1djx s TYR 601 Cb 0.00 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 1djx s TYR 601 CO 0.00 -0.55 -0.20 0.08 -1.57 0.00 0.00 175.55 173.32 1djx s VAL 602 N 1.68 1.97 0.23 0.71 1.01 -0.64 -4.90 120.40 120.45 1djx s VAL 602 Ca 0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 1djx s VAL 602 Cb -0.13 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.37 1djx s VAL 602 CO -0.08 0.53 1.59 -0.22 0.00 0.00 0.00 175.10 176.92 1djx s LEU 603 N 1.14 4.37 0.63 3.92 2.96 -1.26 0.22 118.68 130.65 1djx s LEU 603 Ca 0.00 2.79 -0.13 0.00 -0.22 0.00 0.00 54.13 56.56 1djx s LEU 603 Cb -0.14 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1djx s LEU 603 CO -0.08 -0.86 1.05 -0.54 -1.32 0.00 0.00 176.35 174.59 1djx s LYS 604 N 0.38 3.22 0.60 1.98 1.02 0.08 -4.85 119.74 122.17 1djx s LYS 604 Ca 0.67 1.06 -0.19 0.00 0.02 0.00 0.00 55.97 57.53 1djx s LYS 604 Cb -0.46 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1djx s LYS 604 CO 0.39 -0.88 1.22 -2.30 -0.92 0.00 0.00 175.35 172.86 1djx n PRO 605 N -2.49 1.22 -0.17 -1.68 -0.02 -1.26 -4.80 135.00 125.80 1djx n PRO 605 Ca 0.08 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1djx n PRO 605 Cb 0.53 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1djx n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1djx h ALA 606 N 0.79 0.65 0.00 3.55 0.00 -1.96 0.26 119.26 122.54 1djx h ALA 606 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1djx h ALA 606 Cb 1.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1djx h ALA 606 CO 0.54 -0.23 0.05 0.27 0.00 0.00 0.00 179.25 179.87 1djx h PHE 607 N 0.34 0.00 -0.02 0.00 -5.15 -1.96 1.20 116.94 111.35 1djx h PHE 607 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 1djx h PHE 607 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 1djx h PHE 607 CO -0.18 0.00 -0.01 1.28 -2.00 0.00 0.00 178.31 177.40 1djx n LEU 608 N -2.76 2.13 -0.70 2.10 4.77 0.87 -3.41 117.00 120.00 1djx n LEU 608 Ca -0.02 -0.71 0.06 0.00 -0.03 0.00 0.00 56.01 55.31 1djx n LEU 608 Cb 0.10 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 1djx n LEU 608 CO 0.15 0.36 0.65 0.54 -1.33 0.00 0.00 177.39 177.76 1djx n ARG 609 N 0.66 2.90 -3.53 3.23 1.74 0.41 -4.54 116.66 117.53 1djx n ARG 609 Ca 0.17 -2.20 -0.42 0.00 -0.77 0.00 0.00 57.85 54.63 1djx n ARG 609 Cb 0.46 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 1djx n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djx s ASP 610 N -1.16 5.84 0.28 0.55 2.15 -0.88 -4.93 116.67 118.52 1djx s ASP 610 Ca 0.27 -1.32 0.11 0.00 0.43 0.00 0.00 52.55 52.03 1djx s ASP 610 Cb 0.16 -2.07 0.59 0.00 -0.30 0.00 0.00 42.92 41.30 1djx s ASP 610 CO 0.15 -0.54 1.21 -0.81 -0.17 0.00 0.00 175.17 175.00 1djx n PRO 611 N 5.04 0.08 -0.14 4.34 -0.04 -1.26 0.31 135.00 143.32 1djx n PRO 611 Ca -0.11 0.53 0.04 0.00 -0.04 0.00 0.00 63.50 63.92 1djx n PRO 611 Cb 0.44 -2.05 0.11 0.00 -0.04 0.00 0.00 33.50 31.96 1djx n PRO 611 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djx n ASN 612 N -1.94 2.67 -4.61 3.54 3.02 -1.26 -4.89 115.26 111.79 1djx n ASN 612 Ca -0.01 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 51.99 1djx n ASN 612 Cb 0.32 -0.20 0.07 0.00 -0.61 0.00 0.00 39.78 39.36 1djx n ASN 612 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1djx n THR 613 N -0.09 3.19 -0.97 3.41 -2.24 0.15 -4.87 114.28 112.85 1djx n THR 613 Ca 0.09 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1djx n THR 613 Cb 0.43 -1.12 0.26 0.00 -2.10 0.00 0.00 70.33 67.81 1djx n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djx n THR 614 N -2.25 2.27 -2.07 4.28 -2.24 -1.26 -4.88 114.28 108.13 1djx n THR 614 Ca 0.13 -1.84 -0.41 0.00 -2.27 0.00 0.00 64.05 59.66 1djx n THR 614 Cb 0.49 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1djx n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1djx s PHE 615 N -2.78 3.00 -0.29 4.78 5.36 -1.26 -4.96 117.98 121.84 1djx s PHE 615 Ca 0.42 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.71 1djx s PHE 615 Cb 0.34 -3.74 0.15 0.00 -0.34 0.00 0.00 43.02 39.43 1djx s PHE 615 CO 0.09 -2.13 0.38 1.21 -1.46 0.00 0.00 175.22 173.31 1djx s ASN 616 N -0.26 0.70 0.59 6.13 3.84 -1.26 -4.18 114.94 120.51 1djx s ASN 616 Ca 0.52 -0.43 0.29 0.00 0.21 0.00 0.00 52.86 53.44 1djx s ASN 616 Cb -0.41 0.96 1.36 0.00 -0.55 0.00 0.00 41.25 42.61 1djx s ASN 616 CO 0.51 -0.36 1.76 0.77 -2.79 0.00 0.00 177.10 176.99 1djx h SER 617 N 8.19 0.00 0.73 -4.21 4.64 -1.95 0.31 113.55 121.25 1djx h SER 617 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1djx h SER 617 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1djx h SER 617 CO 0.28 0.00 -0.68 0.54 -0.87 0.00 0.00 176.83 176.10 1djx n ARG 618 N -3.60 0.24 -3.39 4.77 1.74 -1.26 -4.43 116.66 110.74 1djx n ARG 618 Ca 0.12 0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 57.00 1djx n ARG 618 Cb 0.89 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 1djx n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djx n ALA 619 N -1.77 2.87 -2.21 7.54 0.00 0.11 -5.09 120.51 121.96 1djx n ALA 619 Ca 0.03 -3.46 -0.42 0.00 0.00 0.00 0.00 53.44 49.59 1djx n ALA 619 Cb 0.42 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1djx n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djx s LEU 620 N -0.65 4.37 0.41 0.00 1.43 -1.17 -4.41 118.68 118.66 1djx s LEU 620 Ca 0.33 2.27 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 1djx s LEU 620 Cb 0.08 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1djx s LEU 620 CO -0.16 -0.64 0.10 0.42 0.23 0.00 0.00 176.35 176.31 1djx s THR 621 N 1.23 0.77 0.43 5.49 -4.23 -1.26 -5.11 115.64 112.96 1djx s THR 621 Ca 0.64 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 1djx s THR 621 Cb -0.35 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 1djx s THR 621 CO 0.30 0.00 1.21 -1.58 -0.54 0.00 0.00 174.62 174.01 1djx s GLN 622 N -3.76 3.87 0.00 3.99 2.00 -1.26 -4.76 119.66 119.74 1djx s GLN 622 Ca 0.23 1.91 0.00 0.00 -2.00 0.00 0.00 55.36 55.50 1djx s GLN 622 Cb 0.03 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 31.27 1djx s GLN 622 CO 0.13 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 1djx n GLY 623 N 0.59 0.74 0.45 2.59 0.00 -1.26 -5.00 105.19 103.30 1djx n GLY 623 Ca 0.06 -1.06 0.27 0.00 0.00 0.00 0.00 46.02 45.28 1djx n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djx h PRO 624 N 0.00 0.21 0.00 1.61 0.14 -2.02 -0.92 132.00 131.02 1djx h PRO 624 Ca 0.00 -0.01 -0.04 0.00 0.14 0.00 0.00 66.00 66.09 1djx h PRO 624 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 31.00 31.09 1djx h PRO 624 CO 0.00 0.14 -0.19 0.11 0.14 0.00 0.00 178.00 178.19 1djx h TRP 625 N 0.21 0.00 -2.48 1.56 0.09 -1.94 -3.40 115.95 109.99 1djx h TRP 625 Ca 0.53 0.00 -0.55 0.00 0.09 0.00 0.00 58.89 58.96 1djx h TRP 625 Cb 1.69 0.00 -0.09 0.00 0.08 0.00 0.00 29.16 30.84 1djx h TRP 625 CO -0.00 0.19 0.98 -0.46 0.09 0.00 0.00 178.44 179.25 1djx s TRP 626 N -3.91 2.36 -0.43 0.12 -0.11 -0.35 -4.30 118.94 112.32 1djx s TRP 626 Ca -0.01 -0.07 0.07 0.00 1.22 0.00 0.00 56.10 57.31 1djx s TRP 626 Cb 0.12 -4.57 0.23 0.00 -1.50 0.00 0.00 33.47 27.74 1djx s TRP 626 CO 0.62 -1.98 0.59 0.54 -4.62 0.00 0.00 176.95 172.10 1djx n ARG 627 N 9.07 0.62 -1.72 5.86 1.74 -0.19 -4.81 116.66 127.23 1djx n ARG 627 Ca 0.03 -2.78 -0.43 0.00 -0.77 0.00 0.00 57.85 53.90 1djx n ARG 627 Cb 0.49 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1djx n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djx n PRO 628 N 1.85 2.45 -4.29 5.56 -0.02 -1.22 -4.48 135.00 134.84 1djx n PRO 628 Ca 0.20 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.39 1djx n PRO 628 Cb 0.55 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 1djx n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djx s GLU 629 N -0.67 1.18 -0.26 -0.52 0.41 0.19 -4.81 118.70 114.23 1djx s GLU 629 Ca 0.64 -1.54 -0.02 0.00 -0.41 0.00 0.00 54.97 53.65 1djx s GLU 629 Cb -0.55 -0.68 0.03 0.00 -1.78 0.00 0.00 34.13 31.15 1djx s GLU 629 CO 0.51 0.03 -0.05 0.50 -0.49 0.00 0.00 175.26 175.76 1djx s ARG 630 N -3.77 2.74 -0.13 1.61 3.52 -0.27 -1.10 118.95 121.54 1djx s ARG 630 Ca 0.21 -1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 54.72 1djx s ARG 630 Cb 0.03 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1djx s ARG 630 CO 0.04 -0.45 0.05 -1.17 -0.81 0.00 0.00 175.30 172.96 1djx s LEU 631 N 1.30 3.80 -0.08 -0.88 2.96 0.23 -1.23 118.68 124.79 1djx s LEU 631 Ca -0.01 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1djx s LEU 631 Cb -0.17 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1djx s LEU 631 CO -0.04 0.31 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.97 1djx s ARG 632 N -0.43 2.50 -0.10 1.98 0.52 0.04 -0.45 118.95 123.01 1djx s ARG 632 Ca 0.09 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1djx s ARG 632 Cb -0.12 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.43 1djx s ARG 632 CO 0.02 0.14 -0.08 0.08 0.02 0.00 0.00 175.30 175.48 1djx s VAL 633 N 0.41 1.02 -0.22 3.52 1.01 0.28 -1.48 120.40 124.94 1djx s VAL 633 Ca -0.16 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1djx s VAL 633 Cb -0.17 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1djx s VAL 633 CO 0.07 0.36 0.00 -0.60 0.00 0.00 0.00 175.10 174.93 1djx s ARG 634 N 1.50 3.52 -0.40 2.72 3.52 -0.55 -0.36 118.95 128.89 1djx s ARG 634 Ca 0.01 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.84 1djx s ARG 634 Cb -0.13 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1djx s ARG 634 CO -0.06 -0.15 0.68 0.42 -0.81 0.00 0.00 175.30 175.38 1djx s ILE 635 N 1.42 4.82 -0.06 4.11 -1.09 0.29 -2.04 121.20 128.64 1djx s ILE 635 Ca 0.05 0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1djx s ILE 635 Cb -0.15 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1djx s ILE 635 CO 0.00 -0.48 -0.08 -0.38 -1.23 0.00 0.00 174.94 172.78 1djx n ILE 636 N 5.78 0.60 -4.06 2.92 5.41 -0.60 -0.39 119.36 129.01 1djx n ILE 636 Ca -0.00 0.38 -0.12 0.00 1.00 0.00 0.00 62.75 64.00 1djx n ILE 636 Cb 0.48 -1.88 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 1djx n ILE 636 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1djx s SER 637 N -4.46 0.48 0.09 4.38 1.04 -1.15 0.67 113.70 114.74 1djx s SER 637 Ca -0.06 -1.29 0.07 0.00 0.48 0.00 0.00 55.95 55.15 1djx s SER 637 Cb 0.01 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1djx s SER 637 CO 0.10 -1.21 -0.18 -0.83 0.98 0.00 0.00 173.24 172.10 1djx s GLY 638 N -3.15 1.09 -0.13 7.32 0.00 0.60 -0.58 107.32 112.48 1djx s GLY 638 Ca 0.28 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1djx s GLY 638 CO 0.15 -1.15 -0.15 1.20 0.00 0.00 0.00 173.10 173.15 1djx s GLN 639 N -1.80 2.33 -1.23 2.90 1.11 -0.36 -3.20 119.66 119.40 1djx s GLN 639 Ca 0.03 -0.59 -0.23 0.00 0.01 0.00 0.00 55.36 54.59 1djx s GLN 639 Cb -0.10 -2.03 0.02 0.00 -1.01 0.00 0.00 33.01 29.89 1djx s GLN 639 CO 0.03 -0.13 0.65 1.04 0.01 0.00 0.00 175.29 176.89 1djx n GLN 640 N 4.41 -1.05 -1.96 2.91 6.02 0.01 -2.08 117.38 125.65 1djx n GLN 640 Ca -0.18 0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 1djx n GLN 640 Cb 0.51 -3.48 -0.02 0.00 1.02 0.00 0.00 30.24 28.26 1djx n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1djx s LEU 641 N -7.01 4.37 0.16 1.08 1.43 0.23 -3.98 118.68 114.96 1djx s LEU 641 Ca 0.39 2.68 -0.34 0.00 -1.03 0.00 0.00 54.13 55.84 1djx s LEU 641 Cb -0.18 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.29 1djx s LEU 641 CO 0.92 -0.77 1.62 -0.81 0.23 0.00 0.00 176.35 177.53 1djx n PRO 642 N 2.96 2.26 -2.54 1.29 -0.04 -1.26 -4.76 135.00 132.90 1djx n PRO 642 Ca 0.10 0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 63.94 1djx n PRO 642 Cb 0.39 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.23 1djx n PRO 642 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1djx s LYS 643 N 1.11 4.00 0.00 0.54 -2.85 -1.26 -4.95 119.74 116.33 1djx s LYS 643 Ca 0.79 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 1djx s LYS 643 Cb -0.65 -3.80 0.00 0.00 -2.06 0.00 0.00 37.83 31.32 1djx s LYS 643 CO 0.38 -1.00 0.00 0.28 0.10 0.00 0.00 175.35 175.10 1djx n VAL 644 N 6.03 0.00 -0.27 1.79 0.31 -1.26 -4.82 118.33 120.10 1djx n VAL 644 Ca 0.13 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.53 1djx n VAL 644 Cb 0.47 -0.14 0.17 0.00 -0.91 0.00 0.00 33.84 33.43 1djx n VAL 644 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1djx h ASN 645 N 0.00 -0.40 -1.06 4.52 2.35 -1.94 -3.43 115.58 115.62 1djx h ASN 645 Ca 0.00 0.21 -0.63 0.00 -0.55 0.00 0.00 56.30 55.33 1djx h ASN 645 Cb 0.00 0.38 0.11 0.00 0.05 0.00 0.00 38.32 38.86 1djx h ASN 645 CO 0.00 -0.21 -0.57 1.17 -1.65 0.00 0.00 177.43 176.17 1djx n LYS 646 N -5.38 0.00 -3.91 0.81 4.81 -1.26 -4.95 118.16 108.28 1djx n LYS 646 Ca 0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.28 1djx n LYS 646 Cb 0.51 -0.95 -0.04 0.00 0.02 0.00 0.00 35.03 34.57 1djx n LYS 646 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1djx s ASN 647 N -0.95 6.37 1.73 3.14 0.01 -1.26 -4.95 114.94 119.02 1djx s ASN 647 Ca 0.60 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 53.04 1djx s ASN 647 Cb -0.84 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 38.86 1djx s ASN 647 CO 0.54 0.16 0.00 0.29 -1.51 0.00 0.00 177.10 176.58 1djx n LYS 648 N 0.24 0.00 -0.09 -0.60 4.76 -1.26 -3.27 118.16 117.94 1djx n LYS 648 Ca -0.05 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.31 1djx n LYS 648 Cb 0.51 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.78 1djx n LYS 648 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1djx h ASN 649 N 0.00 0.80 0.00 4.39 2.35 -1.99 -3.45 115.58 117.68 1djx h ASN 649 Ca 0.00 -0.30 -0.31 0.00 -0.55 0.00 0.00 56.30 55.14 1djx h ASN 649 Cb 0.00 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.08 1djx h ASN 649 CO 0.00 1.01 1.30 -0.24 -1.65 0.00 0.00 177.43 177.85 1djx n SER 650 N -4.10 -0.30 -4.80 5.81 2.88 -1.20 -4.86 113.62 107.03 1djx n SER 650 Ca -0.00 -0.08 -0.38 0.00 -1.33 0.00 0.00 58.87 57.08 1djx n SER 650 Cb 0.45 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 1djx n SER 650 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1djx s ILE 651 N 3.65 4.56 0.61 2.46 -1.09 -1.26 -4.85 121.20 125.28 1djx s ILE 651 Ca 0.93 1.37 -0.19 0.00 -2.23 0.00 0.00 60.65 60.53 1djx s ILE 651 Cb -0.75 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.16 1djx s ILE 651 CO 0.36 0.37 1.25 -0.69 -1.23 0.00 0.00 174.94 175.00 1djx s VAL 652 N -1.33 2.37 -0.68 2.92 1.01 -1.26 -4.56 120.40 118.88 1djx s VAL 652 Ca 0.38 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1djx s VAL 652 Cb -0.19 -3.10 0.21 0.00 0.00 0.00 0.00 36.38 33.30 1djx s VAL 652 CO 0.22 -0.05 0.62 0.47 0.00 0.00 0.00 175.10 176.36 1djx n ASP 653 N -1.69 3.40 -4.77 3.32 9.92 -1.26 -0.49 116.55 124.98 1djx n ASP 653 Ca 0.14 -3.33 -0.37 0.00 -0.53 0.00 0.00 54.79 50.71 1djx n ASP 653 Cb 0.49 -0.72 -0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1djx n ASP 653 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1djx s PRO 654 N -1.96 3.64 0.02 -0.24 0.04 -1.02 -1.11 135.00 134.37 1djx s PRO 654 Ca 0.32 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 1djx s PRO 654 Cb 0.05 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 1djx s PRO 654 CO -0.09 -0.65 0.15 -1.59 0.04 0.00 0.00 177.00 174.86 1djx s LYS 655 N -2.83 0.56 0.02 4.56 -2.85 -0.73 -0.71 119.74 117.74 1djx s LYS 655 Ca 0.66 -0.52 0.07 0.00 -1.00 0.00 0.00 55.97 55.19 1djx s LYS 655 Cb -0.28 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1djx s LYS 655 CO 0.33 -0.14 -0.22 0.08 0.10 0.00 0.00 175.35 175.51 1djx s VAL 656 N -1.88 1.74 -0.05 1.79 1.01 -1.26 -1.73 120.40 120.02 1djx s VAL 656 Ca -0.11 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.82 1djx s VAL 656 Cb -0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1djx s VAL 656 CO -0.01 0.35 -0.22 -0.63 0.00 0.00 0.00 175.10 174.59 1djx s ILE 657 N -0.67 1.81 -0.12 2.22 -1.09 0.46 -0.41 121.20 123.40 1djx s ILE 657 Ca 0.08 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 1djx s ILE 657 Cb -0.09 -1.54 0.01 0.00 -1.58 0.00 0.00 42.46 39.27 1djx s ILE 657 CO 0.01 0.51 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.32 1djx s VAL 658 N -0.11 1.94 0.08 2.92 1.01 0.37 -0.76 120.40 125.86 1djx s VAL 658 Ca -0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1djx s VAL 658 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1djx s VAL 658 CO 0.03 0.53 -0.21 -1.61 0.00 0.00 0.00 175.10 173.84 1djx s GLU 659 N 0.70 1.22 -0.20 2.72 2.02 0.73 -0.85 118.70 125.03 1djx s GLU 659 Ca -0.11 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 53.76 1djx s GLU 659 Cb -0.16 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.62 1djx s GLU 659 CO 0.01 0.34 -0.03 0.42 0.02 0.00 0.00 175.26 176.03 1djx s ILE 660 N -1.03 3.65 -0.10 -1.63 -1.09 0.23 -0.12 121.20 121.10 1djx s ILE 660 Ca 0.07 -0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1djx s ILE 660 Cb -0.10 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 1djx s ILE 660 CO 0.03 0.43 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.09 1djx s HIS 661 N 1.16 2.89 -0.68 3.97 3.76 -0.04 -1.81 115.29 124.53 1djx s HIS 661 Ca 0.02 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1djx s HIS 661 Cb -0.15 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1djx s HIS 661 CO 0.00 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1djx n GLY 662 N 2.92 -0.83 3.74 -2.22 0.00 -1.26 -0.04 105.19 107.49 1djx n GLY 662 Ca -0.18 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1djx n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1djx s VAL 663 N -4.00 2.56 0.27 1.61 -7.23 -1.26 -4.74 120.40 107.61 1djx s VAL 663 Ca 0.00 0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 60.42 1djx s VAL 663 Cb 0.00 -2.88 0.34 0.00 0.56 0.00 0.00 36.38 34.39 1djx s VAL 663 CO 0.00 -0.14 1.61 1.23 -0.31 0.00 0.00 175.10 177.49 1djx h GLY 664 N -0.00 0.98 2.00 2.32 0.00 -1.99 0.81 103.07 107.19 1djx h GLY 664 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1djx h GLY 664 CO 0.52 -0.37 0.00 -0.09 0.00 0.00 0.00 176.54 176.60 1djx h ARG 665 N 0.07 0.00 0.00 4.80 2.43 -1.89 -2.86 114.38 116.94 1djx h ARG 665 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1djx h ARG 665 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1djx h ARG 665 CO -0.77 0.00 -1.21 -0.25 -1.51 0.00 0.00 179.97 176.22 1djx n ASP 666 N -2.70 0.73 -4.75 -3.80 8.00 0.26 -4.96 116.55 109.34 1djx n ASP 666 Ca -0.00 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 1djx n ASP 666 Cb 0.19 1.19 -0.02 0.00 -0.02 0.00 0.00 41.12 42.46 1djx n ASP 666 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1djx n THR 667 N -1.71 0.96 -3.56 -3.53 -2.24 -1.08 -4.75 114.28 98.37 1djx n THR 667 Ca 0.02 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1djx n THR 667 Cb 0.39 -1.98 -0.03 0.00 -2.10 0.00 0.00 70.33 66.61 1djx n THR 667 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djx s GLY 668 N 0.54 -0.39 -0.16 3.38 0.00 -0.75 -4.95 107.32 104.98 1djx s GLY 668 Ca 0.65 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.36 1djx s GLY 668 CO 0.47 -0.06 0.47 -0.45 0.00 0.00 0.00 173.10 173.53 1djx s SER 669 N -2.80 -0.48 0.06 1.64 0.15 -1.26 -0.61 113.70 110.41 1djx s SER 669 Ca 0.04 0.89 -0.07 0.00 0.70 0.00 0.00 55.95 57.51 1djx s SER 669 Cb -0.01 0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 65.21 1djx s SER 669 CO -0.10 -0.19 0.14 -0.13 1.20 0.00 0.00 173.24 174.16 1djx s ARG 670 N 0.11 0.72 0.02 5.44 1.81 -0.03 -4.97 118.95 122.05 1djx s ARG 670 Ca -0.01 -0.88 0.01 0.00 -1.72 0.00 0.00 55.73 53.13 1djx s ARG 670 Cb -0.03 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1djx s ARG 670 CO 0.01 -0.20 -0.04 1.14 -0.68 0.00 0.00 175.30 175.53 1djx s GLN 671 N -3.31 0.33 0.78 3.54 -2.07 -1.26 -0.48 119.66 117.19 1djx s GLN 671 Ca 0.01 -0.49 -0.13 0.00 -1.82 0.00 0.00 55.36 52.93 1djx s GLN 671 Cb 0.03 -0.10 0.18 0.00 -1.09 0.00 0.00 33.01 32.03 1djx s GLN 671 CO -0.08 0.01 0.98 0.25 -1.32 0.00 0.00 175.29 175.13 1djx n THR 672 N 2.01 0.00 -2.39 3.63 -2.24 0.45 -4.98 114.28 110.76 1djx n THR 672 Ca -0.20 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 60.66 1djx n THR 672 Cb 0.56 -1.54 0.12 0.00 -2.10 0.00 0.00 70.33 67.37 1djx n THR 672 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djx s ALA 673 N -3.79 3.29 -0.03 6.98 0.00 -1.26 -4.63 121.76 122.31 1djx s ALA 673 Ca 0.57 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 1djx s ALA 673 Cb -0.02 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1djx s ALA 673 CO 0.40 -1.69 0.41 0.08 0.00 0.00 0.00 175.76 174.97 1djx s VAL 674 N -3.34 5.07 -0.22 0.00 1.01 -1.26 -4.47 120.40 117.20 1djx s VAL 674 Ca 0.68 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1djx s VAL 674 Cb -0.05 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1djx s VAL 674 CO 0.46 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 175.54 1djx s ILE 675 N -0.66 4.70 0.02 2.22 -1.09 0.11 -4.98 121.20 121.52 1djx s ILE 675 Ca 0.24 -0.05 -0.23 0.00 -2.23 0.00 0.00 60.65 58.38 1djx s ILE 675 Cb -0.16 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 1djx s ILE 675 CO 0.12 0.38 0.68 0.42 -1.23 0.00 0.00 174.94 175.31 1djx s THR 676 N 1.03 4.82 -1.30 2.92 -4.23 -1.26 -2.43 115.64 115.19 1djx s THR 676 Ca 0.05 1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.95 1djx s THR 676 Cb -0.14 -4.02 0.01 0.00 1.34 0.00 0.00 72.50 69.69 1djx s THR 676 CO 0.03 0.39 0.97 0.59 -0.54 0.00 0.00 174.62 176.06 1djx n ASN 677 N 2.76 -3.15 -3.40 3.99 4.13 -1.01 -4.96 115.26 113.62 1djx n ASN 677 Ca -0.05 -0.67 -0.07 0.00 1.68 0.00 0.00 54.58 55.47 1djx n ASN 677 Cb 0.51 -4.70 -0.07 0.00 -1.54 0.00 0.00 39.78 33.98 1djx n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1djx s ASN 678 N -4.00 -0.12 -0.00 6.41 3.84 0.36 -4.71 114.94 116.71 1djx s ASN 678 Ca 0.21 0.51 0.03 0.00 0.21 0.00 0.00 52.86 53.83 1djx s ASN 678 Cb -0.10 1.34 -0.04 0.00 -0.55 0.00 0.00 41.25 41.90 1djx s ASN 678 CO 0.76 -0.28 0.12 0.61 -2.79 0.00 0.00 177.10 175.52 1djx n GLY 679 N 5.38 0.45 0.15 1.21 0.00 -1.26 -4.26 105.19 106.87 1djx n GLY 679 Ca -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1djx n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djx h PHE 680 N 0.00 0.65 -0.16 1.61 3.57 -1.87 0.67 116.94 121.42 1djx h PHE 680 Ca 0.00 -0.32 -0.24 0.00 3.53 0.00 0.00 57.97 60.94 1djx h PHE 680 Cb 0.10 -0.09 -0.19 0.00 2.79 0.00 0.00 35.95 38.56 1djx h PHE 680 CO 0.00 1.12 -0.48 0.27 -2.23 0.00 0.00 178.31 176.99 1djx n ASN 681 N -4.22 -1.34 -4.71 0.41 0.23 -1.24 -0.81 115.26 103.57 1djx n ASN 681 Ca -0.09 -2.48 -0.39 0.00 -0.53 0.00 0.00 54.58 51.08 1djx n ASN 681 Cb 0.64 0.75 0.04 0.00 -2.08 0.00 0.00 39.78 39.13 1djx n ASN 681 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1djx n PRO 682 N -0.57 1.64 -3.96 -0.53 -0.04 -1.20 -4.71 135.00 125.65 1djx n PRO 682 Ca -0.02 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.77 1djx n PRO 682 Cb 0.85 -2.46 -0.17 0.00 -0.04 0.00 0.00 33.50 31.68 1djx n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1djx s ARG 683 N -2.66 1.69 -0.22 0.54 3.52 -1.26 -0.29 118.95 120.27 1djx s ARG 683 Ca 0.69 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1djx s ARG 683 Cb -0.44 -1.69 -0.12 0.00 -1.56 0.00 0.00 34.95 31.13 1djx s ARG 683 CO 0.51 -0.25 -0.24 0.91 -0.81 0.00 0.00 175.30 175.43 1djx n TRP 684 N 4.86 0.00 -3.87 5.12 8.01 0.21 -4.96 117.44 126.82 1djx n TRP 684 Ca -0.14 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.80 1djx n TRP 684 Cb 0.50 -0.83 -0.00 0.00 -2.01 0.00 0.00 31.31 28.97 1djx n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djx n ASP 685 N -3.51 -1.20 -4.18 -0.99 8.00 0.26 -4.97 116.55 109.96 1djx n ASP 685 Ca -0.41 -0.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.83 1djx n ASP 685 Cb 0.87 -3.28 -0.16 0.00 -0.02 0.00 0.00 41.12 38.53 1djx n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djx s MET 686 N -6.36 2.01 -0.06 -1.24 1.75 0.47 -4.94 119.30 110.93 1djx s MET 686 Ca 0.07 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 53.86 1djx s MET 686 Cb -0.03 -1.74 -0.01 0.00 2.84 0.00 0.00 34.83 35.89 1djx s MET 686 CO 0.87 0.29 -0.23 -2.00 -0.65 0.00 0.00 175.02 173.30 1djx s GLU 687 N -0.05 2.64 0.11 4.11 2.12 -1.26 0.10 118.70 126.48 1djx s GLU 687 Ca -0.03 -0.88 0.10 0.00 0.36 0.00 0.00 54.97 54.53 1djx s GLU 687 Cb -0.12 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1djx s GLU 687 CO 0.03 0.37 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.80 1djx s PHE 688 N -0.14 2.25 -0.04 5.30 0.08 0.51 -4.96 117.98 120.99 1djx s PHE 688 Ca -0.04 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.67 1djx s PHE 688 Cb -0.14 -1.24 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1djx s PHE 688 CO 0.04 0.29 -0.17 -2.00 -0.10 0.00 0.00 175.22 173.28 1djx s GLU 689 N -1.90 1.75 0.08 0.44 -6.30 -1.26 -0.56 118.70 110.95 1djx s GLU 689 Ca 0.13 -0.62 0.06 0.00 -2.50 0.00 0.00 54.97 52.04 1djx s GLU 689 Cb -0.10 -1.54 -0.03 0.00 0.00 0.00 0.00 34.13 32.46 1djx s GLU 689 CO 0.05 0.26 -0.17 -0.06 0.02 0.00 0.00 175.26 175.37 1djx s PHE 690 N -0.02 1.44 -0.23 5.30 0.40 0.40 -4.97 117.98 120.31 1djx s PHE 690 Ca -0.02 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1djx s PHE 690 Cb -0.11 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 1djx s PHE 690 CO 0.02 0.11 0.06 -2.00 0.70 0.00 0.00 175.22 174.11 1djx s GLU 691 N -1.75 3.73 -0.26 0.44 2.12 -1.26 -0.60 118.70 121.11 1djx s GLU 691 Ca 0.02 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1djx s GLU 691 Cb -0.10 -3.26 0.05 0.00 0.26 0.00 0.00 34.13 31.08 1djx s GLU 691 CO 0.03 -0.05 -0.09 0.08 -0.54 0.00 0.00 175.26 174.69 1djx s VAL 692 N 1.23 2.49 -0.13 3.70 1.01 -0.26 -4.85 120.40 123.58 1djx s VAL 692 Ca 0.04 -1.37 0.15 0.00 0.00 0.00 0.00 61.98 60.81 1djx s VAL 692 Cb -0.14 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1djx s VAL 692 CO 0.03 0.07 1.29 0.71 0.00 0.00 0.00 175.10 177.20 1djx h THR 693 N 6.47 0.82 -2.10 3.92 1.35 -1.85 0.58 112.91 122.09 1djx h THR 693 Ca -0.26 -2.23 -0.56 0.00 -0.55 0.00 0.00 66.41 62.82 1djx h THR 693 Cb 1.07 2.35 -0.41 0.00 -1.73 0.00 0.00 68.15 69.43 1djx h THR 693 CO 0.52 0.47 -0.90 0.52 -0.25 0.00 0.00 175.52 175.87 1djx n VAL 694 N -3.15 0.93 0.05 6.82 0.31 -1.26 -1.03 118.33 121.01 1djx n VAL 694 Ca -0.01 -4.75 0.21 0.00 -0.01 0.00 0.00 64.34 59.78 1djx n VAL 694 Cb 0.77 -1.52 0.73 0.00 -0.91 0.00 0.00 33.84 32.91 1djx n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1djx h PRO 695 N 3.64 0.00 0.00 5.55 0.13 -1.78 -1.19 132.00 138.35 1djx h PRO 695 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1djx h PRO 695 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1djx h PRO 695 CO 0.64 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.97 1djx h ASP 696 N 0.00 0.00 -0.16 1.44 3.32 -1.92 -2.24 116.42 116.86 1djx h ASP 696 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1djx h ASP 696 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1djx h ASP 696 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1djx n LEU 697 N -2.42 2.34 -4.92 1.55 4.77 -0.45 -4.85 117.00 113.01 1djx n LEU 697 Ca 0.01 -1.51 -0.28 0.00 -0.03 0.00 0.00 56.01 54.20 1djx n LEU 697 Cb 0.20 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1djx n LEU 697 CO 0.19 0.53 0.03 0.00 -1.33 0.00 0.00 177.39 176.82 1djx s ALA 698 N -0.92 3.82 0.02 -1.18 0.00 -0.84 -4.34 121.76 118.32 1djx s ALA 698 Ca 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1djx s ALA 698 Cb 0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1djx s ALA 698 CO 0.13 0.48 -0.05 -0.51 0.00 0.00 0.00 175.76 175.82 1djx s LEU 699 N -3.19 2.20 -0.14 0.00 1.02 0.94 -0.95 118.68 118.57 1djx s LEU 699 Ca 0.39 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1djx s LEU 699 Cb -0.11 -0.04 -0.01 0.00 0.02 0.00 0.00 46.19 46.05 1djx s LEU 699 CO 0.28 -0.21 -0.15 -0.69 0.02 0.00 0.00 176.35 175.61 1djx s VAL 700 N -1.18 2.79 -0.03 -1.59 1.01 0.14 -0.86 120.40 120.68 1djx s VAL 700 Ca -0.11 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1djx s VAL 700 Cb -0.08 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1djx s VAL 700 CO -0.00 0.52 -0.25 -0.60 0.00 0.00 0.00 175.10 174.77 1djx s ARG 701 N 0.56 2.18 -0.18 2.72 3.52 0.83 -0.22 118.95 128.35 1djx s ARG 701 Ca -0.09 -0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 54.59 1djx s ARG 701 Cb -0.16 -2.03 -0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1djx s ARG 701 CO 0.04 0.50 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.86 1djx s PHE 702 N -0.48 2.87 -0.06 5.12 0.40 0.28 -0.20 117.98 125.91 1djx s PHE 702 Ca 0.06 -1.01 0.03 0.00 -0.60 0.00 0.00 56.93 55.42 1djx s PHE 702 Cb -0.11 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.45 1djx s PHE 702 CO 0.00 -0.50 -0.15 1.41 0.70 0.00 0.00 175.22 176.68 1djx s MET 703 N 1.09 1.89 -0.16 0.44 1.75 0.06 -0.35 119.30 124.01 1djx s MET 703 Ca 0.00 -0.53 -0.03 0.00 -1.25 0.00 0.00 55.69 53.88 1djx s MET 703 Cb -0.15 -1.56 -0.02 0.00 2.84 0.00 0.00 34.83 35.95 1djx s MET 703 CO -0.03 0.11 -0.06 0.08 -0.65 0.00 0.00 175.02 174.48 1djx s VAL 704 N 0.42 3.58 0.19 10.11 1.01 0.91 -0.40 120.40 136.22 1djx s VAL 704 Ca -0.12 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.51 1djx s VAL 704 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1djx s VAL 704 CO 0.04 0.48 -0.19 -1.61 0.00 0.00 0.00 175.10 173.83 1djx s GLU 705 N 0.63 1.72 -0.37 2.72 2.02 -0.71 0.70 118.70 125.42 1djx s GLU 705 Ca -0.04 -1.44 -0.15 0.00 0.02 0.00 0.00 54.97 53.36 1djx s GLU 705 Cb -0.15 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.12 1djx s GLU 705 CO 0.03 0.41 0.31 0.34 0.02 0.00 0.00 175.26 176.37 1djx s ASP 706 N -2.77 6.12 0.14 -0.19 -1.08 0.26 -1.78 116.67 117.37 1djx s ASP 706 Ca 0.23 -0.50 -0.30 0.00 -0.52 0.00 0.00 52.55 51.45 1djx s ASP 706 Cb -0.08 -2.17 -0.07 0.00 -1.46 0.00 0.00 42.92 39.13 1djx s ASP 706 CO 0.12 -0.35 1.26 -0.47 0.52 0.00 0.00 175.17 176.25 1djx s TYR 707 N 1.85 3.36 -0.04 -5.34 5.04 -0.27 -1.79 117.35 120.15 1djx s TYR 707 Ca 0.08 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1djx s TYR 707 Cb -0.17 -3.52 0.02 0.00 0.35 0.00 0.00 41.96 38.64 1djx s TYR 707 CO 0.11 -1.62 -0.02 -0.51 -1.34 0.00 0.00 175.55 172.17 1djx s ASP 708 N 0.63 0.90 0.05 4.32 1.01 -1.26 -4.63 116.67 117.69 1djx s ASP 708 Ca 0.58 -0.09 -0.19 0.00 0.71 0.00 0.00 52.55 53.55 1djx s ASP 708 Cb -0.33 -0.38 -0.14 0.00 1.01 0.00 0.00 42.92 43.08 1djx s ASP 708 CO 0.34 -0.09 1.34 0.77 0.21 0.00 0.00 175.17 177.74 1djx h SER 709 N 7.38 0.47 0.14 0.27 4.64 -1.96 -3.35 113.55 121.14 1djx h SER 709 Ca -0.36 -0.50 -0.29 0.00 -0.47 0.00 0.00 61.79 60.16 1djx h SER 709 Cb 1.14 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1djx h SER 709 CO 0.44 0.87 -1.24 0.77 -0.87 0.00 0.00 176.83 176.80 1djx h SER 710 N 0.07 0.85 -0.40 4.97 4.64 -2.04 -3.48 113.55 118.16 1djx h SER 710 Ca 0.02 -0.84 -0.60 0.00 -0.47 0.00 0.00 61.79 59.90 1djx h SER 710 Cb 0.76 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.52 1djx h SER 710 CO 0.05 1.61 -0.30 -0.94 -0.87 0.00 0.00 176.83 176.38 1djx s SER 711 N -7.41 4.57 0.36 4.97 1.04 -1.26 -5.11 113.70 110.87 1djx s SER 711 Ca -0.10 -1.33 -0.26 0.00 0.48 0.00 0.00 55.95 54.74 1djx s SER 711 Cb 0.05 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.65 1djx s SER 711 CO 0.93 -1.16 1.13 -0.75 0.98 0.00 0.00 173.24 174.37 1djx s LYS 712 N -4.29 4.28 -0.03 4.02 2.47 -1.26 -4.47 119.74 120.45 1djx s LYS 712 Ca 0.30 1.77 -0.30 0.00 -1.56 0.00 0.00 55.97 56.18 1djx s LYS 712 Cb -0.02 -2.83 -0.06 0.00 -1.46 0.00 0.00 37.83 33.47 1djx s LYS 712 CO 0.19 -0.11 1.58 -0.80 0.16 0.00 0.00 175.35 176.37 1djx s ASN 713 N -1.12 6.71 0.48 1.43 0.01 -1.26 -4.73 114.94 116.46 1djx s ASN 713 Ca 0.53 2.21 -0.23 0.00 -0.71 0.00 0.00 52.86 54.65 1djx s ASN 713 Cb -0.30 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.75 1djx s ASN 713 CO 0.38 -0.87 1.30 -1.81 -1.51 0.00 0.00 177.10 174.59 1djx s ASP 714 N 2.83 5.80 0.01 -1.22 1.11 -0.74 -4.67 116.67 119.78 1djx s ASP 714 Ca 0.70 2.63 -0.25 0.00 0.18 0.00 0.00 52.55 55.81 1djx s ASP 714 Cb -0.33 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 40.98 1djx s ASP 714 CO 0.28 -1.20 0.78 0.12 1.18 0.00 0.00 175.17 176.34 1djx s PHE 715 N -1.35 3.68 -0.24 4.23 2.19 -1.26 0.89 117.98 126.12 1djx s PHE 715 Ca 0.65 1.45 -0.12 0.00 0.33 0.00 0.00 56.93 59.24 1djx s PHE 715 Cb -0.37 -2.86 -0.10 0.00 -1.31 0.00 0.00 43.02 38.38 1djx s PHE 715 CO 0.45 0.18 -0.30 -0.89 1.83 0.00 0.00 175.22 176.49 1djx n ILE 716 N 3.24 1.30 -3.67 3.12 5.41 0.22 -4.84 119.36 124.13 1djx n ILE 716 Ca -0.01 -0.34 -0.02 0.00 1.00 0.00 0.00 62.75 63.38 1djx n ILE 716 Cb 0.51 -1.81 -0.01 0.00 -0.71 0.00 0.00 39.64 37.61 1djx n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djx s GLY 717 N -5.45 -0.32 0.20 7.39 0.00 -1.04 -4.77 107.32 103.34 1djx s GLY 717 Ca -0.33 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.70 1djx s GLY 717 CO 0.42 0.11 0.55 1.62 0.00 0.00 0.00 173.10 175.79 1djx s GLN 718 N -2.94 1.41 -0.28 2.90 -0.44 -0.22 -0.07 119.66 120.03 1djx s GLN 718 Ca 0.12 -0.85 -0.20 0.00 -2.50 0.00 0.00 55.36 51.93 1djx s GLN 718 Cb 0.01 0.53 0.08 0.00 -1.64 0.00 0.00 33.01 31.99 1djx s GLN 718 CO -0.01 -0.61 0.74 0.45 0.50 0.00 0.00 175.29 176.36 1djx s SER 719 N -2.87 -0.81 -0.10 6.67 0.15 0.52 0.16 113.70 117.41 1djx s SER 719 Ca 0.09 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.17 1djx s SER 719 Cb -0.01 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.68 1djx s SER 719 CO -0.02 -0.23 -0.18 -0.89 1.20 0.00 0.00 173.24 173.12 1djx s THR 720 N 1.06 1.66 -0.12 6.45 2.01 -1.26 0.99 115.64 126.44 1djx s THR 720 Ca -0.05 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1djx s THR 720 Cb -0.05 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1djx s THR 720 CO -0.11 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.53 1djx s ILE 721 N 0.75 1.40 0.32 1.82 1.01 0.69 -4.58 121.20 122.60 1djx s ILE 721 Ca -0.11 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1djx s ILE 721 Cb -0.16 -1.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 1djx s ILE 721 CO 0.02 0.42 1.55 -2.84 0.00 0.00 0.00 174.94 174.10 1djx s PRO 722 N 1.22 4.13 0.19 2.79 0.02 -1.26 -0.68 135.00 141.40 1djx s PRO 722 Ca -0.02 2.56 -0.24 0.00 0.02 0.00 0.00 61.00 63.32 1djx s PRO 722 Cb -0.14 -3.01 0.08 0.00 0.02 0.00 0.00 34.50 31.45 1djx s PRO 722 CO -0.05 -0.59 1.49 1.87 -0.33 0.00 0.00 177.00 179.39 1djx n TRP 723 N 1.68 -0.21 0.90 6.54 -0.00 -0.12 -0.18 117.44 126.05 1djx n TRP 723 Ca 0.06 1.20 0.04 0.00 -0.00 0.00 0.00 57.50 58.80 1djx n TRP 723 Cb 0.38 -0.71 0.25 0.00 -0.00 0.00 0.00 31.31 31.23 1djx n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1djx n ASN 724 N -5.31 0.00 -0.26 5.87 3.02 -1.26 -1.08 115.26 116.24 1djx n ASN 724 Ca 0.06 -0.64 0.03 0.00 -0.03 0.00 0.00 54.58 54.00 1djx n ASN 724 Cb 0.32 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1djx n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djx n SER 725 N -0.79 1.80 -4.59 6.41 7.64 0.75 -4.95 113.62 119.88 1djx n SER 725 Ca 0.06 -1.49 -0.43 0.00 1.01 0.00 0.00 58.87 58.03 1djx n SER 725 Cb 0.03 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 1djx n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djx s LEU 726 N -0.64 3.54 0.56 -3.43 2.96 -0.24 -0.05 118.68 121.37 1djx s LEU 726 Ca 0.08 0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 1djx s LEU 726 Cb 0.05 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 1djx s LEU 726 CO 0.07 -1.40 1.03 -0.54 -1.32 0.00 0.00 176.35 174.19 1djx s LYS 727 N 4.79 3.58 0.38 1.98 -0.14 0.32 -4.93 119.74 125.72 1djx s LYS 727 Ca 0.48 1.10 0.07 0.00 -1.36 0.00 0.00 55.97 56.27 1djx s LYS 727 Cb -0.08 -2.08 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1djx s LYS 727 CO 0.29 -0.58 0.42 -0.65 -0.76 0.00 0.00 175.35 174.07 1djx s GLN 728 N -4.07 2.78 2.12 1.68 -0.21 -1.26 -4.74 119.66 115.97 1djx s GLN 728 Ca 0.62 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1djx s GLN 728 Cb -0.14 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1djx s GLN 728 CO 0.34 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1djx n GLY 729 N -1.59 0.00 3.66 3.09 0.00 0.29 -4.55 105.19 106.08 1djx n GLY 729 Ca 0.02 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1djx n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djx s TYR 730 N 0.00 3.37 0.13 1.61 2.02 -1.26 -0.38 117.35 122.84 1djx s TYR 730 Ca 0.00 1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 57.70 1djx s TYR 730 Cb 0.00 -2.92 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 1djx s TYR 730 CO 0.00 -0.25 0.19 1.03 -1.57 0.00 0.00 175.55 174.95 1djx s ARG 731 N 2.20 0.99 -0.12 -0.62 1.81 -0.05 -4.95 118.95 118.20 1djx s ARG 731 Ca 0.33 -1.17 -0.02 0.00 -1.72 0.00 0.00 55.73 53.15 1djx s ARG 731 Cb -0.16 0.33 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 1djx s ARG 731 CO 0.10 -0.33 -0.04 -1.01 -0.68 0.00 0.00 175.30 173.35 1djx s HIS 732 N -3.95 3.03 -0.30 -0.53 3.76 -0.83 -0.25 115.29 116.21 1djx s HIS 732 Ca 0.14 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 1djx s HIS 732 Cb 0.05 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1djx s HIS 732 CO -0.03 0.16 0.34 0.08 -0.85 0.00 0.00 174.74 174.43 1djx s VAL 733 N -0.18 5.19 -0.50 -0.90 1.01 0.13 -1.17 120.40 123.99 1djx s VAL 733 Ca 0.03 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 1djx s VAL 733 Cb -0.13 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1djx s VAL 733 CO 0.02 0.08 0.87 -1.00 0.00 0.00 0.00 175.10 175.08 1djx s HIS 734 N 2.00 2.89 0.27 5.22 3.76 -1.26 -0.95 115.29 127.22 1djx s HIS 734 Ca 0.12 0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.82 1djx s HIS 734 Cb -0.16 -3.90 -0.10 0.00 1.11 0.00 0.00 32.58 29.53 1djx s HIS 734 CO 0.11 -1.18 1.28 -0.51 -0.85 0.00 0.00 174.74 173.58 1djx s LEU 735 N 3.64 4.44 0.15 0.89 1.43 -0.75 -4.77 118.68 123.72 1djx s LEU 735 Ca 0.30 2.51 0.07 0.00 -1.03 0.00 0.00 54.13 55.98 1djx s LEU 735 Cb -0.12 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1djx s LEU 735 CO 0.21 -0.47 -0.01 -0.76 0.23 0.00 0.00 176.35 175.56 1djx s LEU 736 N -1.06 3.34 1.00 1.79 1.43 0.12 -2.27 118.68 123.04 1djx s LEU 736 Ca 0.51 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 1djx s LEU 736 Cb -0.37 -2.03 0.20 0.00 0.03 0.00 0.00 46.19 44.02 1djx s LEU 736 CO 0.45 0.12 1.19 -0.94 0.23 0.00 0.00 176.35 177.40 1djx s SER 737 N -2.71 2.71 0.34 2.29 1.04 0.12 -1.06 113.70 116.43 1djx s SER 737 Ca 0.26 0.64 0.07 0.00 0.48 0.00 0.00 55.95 57.41 1djx s SER 737 Cb -0.10 -0.95 0.76 0.00 0.10 0.00 0.00 66.02 65.82 1djx s SER 737 CO 0.18 -3.02 1.87 0.50 0.98 0.00 0.00 173.24 173.76 1djx h LYS 738 N -1.83 0.74 -0.20 4.02 3.64 -1.90 -0.17 116.57 120.88 1djx h LYS 738 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1djx h LYS 738 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1djx h LYS 738 CO 0.47 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 178.23 1djx n ASN 739 N -4.56 1.31 -0.18 4.20 3.02 -1.26 -4.38 115.26 113.40 1djx n ASN 739 Ca 0.17 -1.84 -0.02 0.00 -0.03 0.00 0.00 54.58 52.86 1djx n ASN 739 Cb 0.42 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1djx n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djx n GLY 740 N 0.97 0.57 3.85 7.41 0.00 -0.07 -5.01 105.19 112.90 1djx n GLY 740 Ca 0.12 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1djx n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djx s ASP 741 N -2.70 6.71 0.48 1.61 1.01 -1.26 -4.73 116.67 117.79 1djx s ASP 741 Ca 0.00 1.35 -0.21 0.00 0.71 0.00 0.00 52.55 54.40 1djx s ASP 741 Cb 0.00 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 1djx s ASP 741 CO 0.00 -0.35 1.11 -1.10 0.21 0.00 0.00 175.17 175.05 1djx s GLN 742 N -3.43 3.69 -0.59 8.23 -1.52 -1.26 0.15 119.66 124.93 1djx s GLN 742 Ca 0.55 1.61 0.04 0.00 -1.95 0.00 0.00 55.36 55.62 1djx s GLN 742 Cb -0.10 -2.24 0.15 0.00 -0.22 0.00 0.00 33.01 30.60 1djx s GLN 742 CO 0.23 -0.57 0.36 -1.01 -0.25 0.00 0.00 175.29 174.04 1djx s HIS 743 N -1.71 3.30 0.31 0.91 3.76 -0.96 -4.80 115.29 116.10 1djx s HIS 743 Ca 0.66 -3.22 0.20 0.00 -0.15 0.00 0.00 55.06 52.55 1djx s HIS 743 Cb -0.24 -2.74 1.11 0.00 1.11 0.00 0.00 32.58 31.82 1djx s HIS 743 CO 0.28 -0.66 1.25 -0.35 -0.85 0.00 0.00 174.74 174.41 1djx n PRO 744 N 2.65 -0.04 0.00 8.40 -0.04 -1.26 -1.05 135.00 143.66 1djx n PRO 744 Ca 0.11 1.06 0.04 0.00 -0.04 0.00 0.00 63.50 64.68 1djx n PRO 744 Cb 0.33 -1.96 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1djx n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1djx n SER 745 N -4.63 1.30 -4.63 3.54 7.64 -1.26 -4.96 113.62 110.62 1djx n SER 745 Ca 0.31 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.62 1djx n SER 745 Cb 1.09 0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 64.57 1djx n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djx s ALA 746 N -1.07 3.62 0.22 -0.43 0.00 -0.21 -4.43 121.76 119.45 1djx s ALA 746 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1djx s ALA 746 Cb 0.07 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1djx s ALA 746 CO 0.18 -0.97 0.26 0.95 0.00 0.00 0.00 175.76 176.18 1djx s THR 747 N 2.81 0.00 0.01 0.00 -4.23 -0.89 -1.81 115.64 111.54 1djx s THR 747 Ca 0.33 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1djx s THR 747 Cb -0.15 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 1djx s THR 747 CO 0.09 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.22 1djx s LEU 748 N -3.11 2.09 -0.20 4.79 1.43 -0.13 -1.23 118.68 122.32 1djx s LEU 748 Ca 0.33 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1djx s LEU 748 Cb 0.04 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1djx s LEU 748 CO 0.11 0.19 0.01 0.12 0.23 0.00 0.00 176.35 177.02 1djx s PHE 749 N -0.59 3.06 0.28 0.29 5.36 0.25 0.21 117.98 126.85 1djx s PHE 749 Ca 0.07 -0.40 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1djx s PHE 749 Cb -0.08 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 1djx s PHE 749 CO 0.00 -0.22 0.13 0.14 -1.46 0.00 0.00 175.22 173.81 1djx s VAL 750 N 1.02 0.40 -0.11 3.12 -7.23 0.65 -1.56 120.40 116.68 1djx s VAL 750 Ca 0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1djx s VAL 750 Cb -0.14 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1djx s VAL 750 CO 0.02 0.00 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.99 1djx s LYS 751 N -3.94 1.49 0.02 4.82 2.20 -0.86 -0.87 119.74 122.60 1djx s LYS 751 Ca 0.37 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1djx s LYS 751 Cb 0.06 -1.57 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 1djx s LYS 751 CO 0.15 -0.27 -0.07 0.42 -0.36 0.00 0.00 175.35 175.22 1djx s ILE 752 N 1.72 3.61 -0.08 5.43 1.01 0.49 -1.48 121.20 131.89 1djx s ILE 752 Ca 0.05 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1djx s ILE 752 Cb -0.13 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.79 1djx s ILE 752 CO -0.08 0.34 0.19 -0.55 0.00 0.00 0.00 174.94 174.84 1djx s SER 753 N -1.57 -0.18 -0.16 3.58 0.15 -0.55 -0.55 113.70 114.42 1djx s SER 753 Ca 0.18 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1djx s SER 753 Cb -0.11 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1djx s SER 753 CO 0.09 -0.14 -0.17 -0.63 1.20 0.00 0.00 173.24 173.59 1djx s ILE 754 N 1.04 1.77 0.10 6.45 1.01 -1.26 -0.78 121.20 129.53 1djx s ILE 754 Ca -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1djx s ILE 754 Cb -0.10 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 1djx s ILE 754 CO -0.06 0.49 0.04 0.00 0.00 0.00 0.00 174.94 175.41 1djx n GLN 755 N 4.70 0.76 0.00 2.79 10.64 -0.36 -4.96 117.38 130.95 1djx n GLN 755 Ca -0.19 -0.90 0.07 0.00 -1.83 0.00 0.00 57.00 54.15 1djx n GLN 755 Cb 0.50 0.52 0.06 0.00 -0.86 0.00 0.00 30.24 30.46 1djx n GLN 755 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98