#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb3 s ILE 187 N 0.00 3.88 -0.23 0.00 2.07 -1.26 -5.02 121.20 120.65 3kb3 s ILE 187 Ca 0.00 -1.22 -0.27 0.00 -1.41 0.00 0.00 60.65 57.75 3kb3 s ILE 187 Cb 0.00 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.33 3kb3 s ILE 187 CO 0.00 -0.27 0.92 -2.16 -1.91 0.00 0.00 174.94 171.52 3kb3 s PRO 188 N 1.40 4.23 -0.19 3.50 0.04 -1.26 -4.99 135.00 137.73 3kb3 s PRO 188 Ca -0.00 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.19 3kb3 s PRO 188 Cb -0.20 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.72 3kb3 s PRO 188 CO 0.02 -0.55 -0.17 -0.51 0.04 0.00 0.00 177.00 175.83 3kb3 s LEU 189 N 2.94 2.37 0.07 -3.56 1.43 -1.26 -3.88 118.68 116.79 3kb3 s LEU 189 Ca 0.39 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 3kb3 s LEU 189 Cb -0.15 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3kb3 s LEU 189 CO 0.07 -0.03 0.34 -1.66 0.23 0.00 0.00 176.35 175.31 3kb3 s TRP 190 N 1.29 -0.14 0.02 0.29 1.48 -1.26 -0.81 118.94 119.81 3kb3 s TRP 190 Ca 0.03 -0.06 -0.02 0.00 -1.06 0.00 0.00 56.10 54.99 3kb3 s TRP 190 Cb -0.14 0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 32.30 3kb3 s TRP 190 CO -0.11 -0.58 0.02 0.20 -4.06 0.00 0.00 176.95 172.42 3kb3 s GLY 191 N -2.36 0.23 -0.06 3.67 0.00 -0.01 0.19 107.32 108.98 3kb3 s GLY 191 Ca -0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 3kb3 s GLY 191 CO -0.06 -0.69 0.17 -0.51 0.00 0.00 0.00 173.10 172.00 3kb3 s THR 192 N -1.99 -0.00 0.04 0.90 -4.23 -1.26 -1.53 115.64 107.56 3kb3 s THR 192 Ca -0.11 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 3kb3 s THR 192 Cb -0.06 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 3kb3 s THR 192 CO -0.02 0.00 -0.14 0.68 -0.54 0.00 0.00 174.62 174.60 3kb3 s VAL 193 N 0.09 1.10 -0.30 2.29 -7.23 -0.19 -4.91 120.40 111.26 3kb3 s VAL 193 Ca -0.00 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3kb3 s VAL 193 Cb -0.01 -1.01 0.19 0.00 0.56 0.00 0.00 36.38 36.12 3kb3 s VAL 193 CO 0.00 -0.01 0.61 -0.55 -0.31 0.00 0.00 175.10 174.84 3kb3 s SER 194 N -1.18 -1.47 0.08 4.85 0.15 -1.25 -1.42 113.70 113.47 3kb3 s SER 194 Ca 0.01 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.30 3kb3 s SER 194 Cb -0.08 2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 66.30 3kb3 s SER 194 CO 0.01 -0.27 -0.11 0.27 1.20 0.00 0.00 173.24 174.34 3kb3 s ILE 195 N 2.85 0.93 0.25 6.45 -4.36 0.32 -4.98 121.20 122.66 3kb3 s ILE 195 Ca 0.16 -1.44 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 3kb3 s ILE 195 Cb -0.13 -1.14 0.07 0.00 1.25 0.00 0.00 42.46 42.50 3kb3 s ILE 195 CO -0.23 -0.43 1.70 -0.61 0.24 0.00 0.00 174.94 175.61 3kb3 h GLN 196 N 3.94 0.66 0.00 0.37 4.15 -1.90 -0.15 115.11 122.17 3kb3 h GLN 196 Ca -0.38 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 58.80 3kb3 h GLN 196 Cb 1.19 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3kb3 h GLN 196 CO 0.47 0.81 0.00 0.41 -1.93 0.00 0.00 178.83 178.58 3kb3 n GLY 197 N -0.38 0.50 0.24 2.39 0.00 -1.26 -3.47 105.19 103.21 3kb3 n GLY 197 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.35 3kb3 n GLY 197 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kb3 h ASN 198 N 8.20 0.00 -3.34 1.61 -0.26 -1.83 -3.47 115.58 116.49 3kb3 h ASN 198 Ca 0.00 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.17 3kb3 h ASN 198 Cb 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 38.32 37.43 3kb3 h ASN 198 CO 0.00 0.17 -0.13 0.54 -1.06 0.00 0.00 177.43 176.95 3kb3 n ARG 199 N -3.45 0.62 0.23 0.81 5.12 -1.23 -4.93 116.66 113.84 3kb3 n ARG 199 Ca -0.01 0.25 0.12 0.00 -1.93 0.00 0.00 57.85 56.29 3kb3 n ARG 199 Cb 0.34 -1.96 0.45 0.00 -1.16 0.00 0.00 32.46 30.12 3kb3 n ARG 199 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3kb3 h SER 200 N 0.18 0.00 -4.27 0.55 4.64 -1.91 -3.44 113.55 109.30 3kb3 h SER 200 Ca -0.47 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.39 3kb3 h SER 200 Cb 1.37 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.20 3kb3 h SER 200 CO 0.48 0.13 -0.80 -1.61 -0.87 0.00 0.00 176.83 174.16 3kb3 s GLU 201 N -3.52 1.02 -0.33 4.77 0.41 -1.26 -5.10 118.70 114.69 3kb3 s GLU 201 Ca 0.02 -0.67 -0.27 0.00 -0.41 0.00 0.00 54.97 53.65 3kb3 s GLU 201 Cb 0.09 -1.02 0.01 0.00 -1.78 0.00 0.00 34.13 31.43 3kb3 s GLU 201 CO 0.62 0.26 0.96 1.41 -0.49 0.00 0.00 175.26 178.02 3kb3 s MET 202 N -0.85 3.97 0.00 1.61 -2.45 -1.26 -4.89 119.30 115.43 3kb3 s MET 202 Ca 0.03 0.79 0.00 0.00 -1.25 0.00 0.00 55.69 55.26 3kb3 s MET 202 Cb -0.07 -3.76 0.00 0.00 1.25 0.00 0.00 34.83 32.25 3kb3 s MET 202 CO 0.01 -0.87 0.64 0.39 1.05 0.00 0.00 175.02 176.24 3kb3 n GLU 203 N 6.68 1.06 -2.75 4.11 1.02 -1.26 -4.75 120.64 124.76 3kb3 n GLU 203 Ca 0.08 -0.84 -0.33 0.00 -0.02 0.00 0.00 57.16 56.06 3kb3 n GLU 203 Cb 0.48 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 31.08 3kb3 n GLU 203 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kb3 s ASP 204 N -0.39 6.85 0.13 1.62 1.11 -1.26 -0.58 116.67 124.15 3kb3 s ASP 204 Ca 0.00 1.63 -0.06 0.00 0.18 0.00 0.00 52.55 54.30 3kb3 s ASP 204 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 3kb3 s ASP 204 CO 0.00 -0.40 0.18 0.00 1.18 0.00 0.00 175.17 176.12 3kb3 s ALA 205 N -2.27 0.27 0.16 5.23 0.00 0.67 -4.92 121.76 120.89 3kb3 s ALA 205 Ca 0.61 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3kb3 s ALA 205 Cb -0.09 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 3kb3 s ALA 205 CO 0.18 -0.56 0.31 -0.59 0.00 0.00 0.00 175.76 175.10 3kb3 s PHE 206 N -3.97 0.28 -0.06 0.00 -0.12 -1.26 -0.29 117.98 112.55 3kb3 s PHE 206 Ca 0.17 -0.64 -0.04 0.00 -0.05 0.00 0.00 56.93 56.37 3kb3 s PHE 206 Cb 0.05 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 3kb3 s PHE 206 CO -0.02 -0.72 0.13 0.00 -0.05 0.00 0.00 175.22 174.56 3kb3 s ALA 207 N -3.94 -0.29 -0.07 1.99 0.00 0.51 -4.83 121.76 115.14 3kb3 s ALA 207 Ca 0.14 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3kb3 s ALA 207 Cb 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3kb3 s ALA 207 CO -0.02 -0.11 -0.09 0.54 0.00 0.00 0.00 175.76 176.09 3kb3 s VAL 208 N 0.59 0.90 -0.36 0.00 0.11 -1.26 -0.49 120.40 119.89 3kb3 s VAL 208 Ca -0.04 -0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.69 3kb3 s VAL 208 Cb -0.06 -0.87 0.12 0.00 -1.53 0.00 0.00 36.38 34.04 3kb3 s VAL 208 CO -0.03 0.31 0.18 -0.55 -3.33 0.00 0.00 175.10 171.68 3kb3 s SER 209 N 0.96 3.58 0.35 3.54 0.15 0.39 -5.01 113.70 117.66 3kb3 s SER 209 Ca -0.10 -2.05 -0.25 0.00 0.70 0.00 0.00 55.95 54.25 3kb3 s SER 209 Cb -0.15 -0.74 -0.10 0.00 -1.71 0.00 0.00 66.02 63.33 3kb3 s SER 209 CO 0.00 -0.34 0.98 -2.16 1.20 0.00 0.00 173.24 172.92 3kb3 s PRO 210 N 1.13 4.43 -1.29 5.44 0.04 -1.26 -1.26 135.00 142.23 3kb3 s PRO 210 Ca 0.14 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 3kb3 s PRO 210 Cb -0.21 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.66 3kb3 s PRO 210 CO -0.12 0.13 0.81 0.72 0.04 0.00 0.00 177.00 178.59 3kb3 n HIS 211 N 0.28 -2.04 -0.01 0.56 8.25 -1.26 -4.92 115.22 116.08 3kb3 n HIS 211 Ca 0.03 0.88 -0.19 0.00 -0.26 0.00 0.00 57.72 58.18 3kb3 n HIS 211 Cb 0.50 -4.59 -0.14 0.00 1.12 0.00 0.00 29.99 26.89 3kb3 n HIS 211 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kb3 h PHE 212 N -1.92 0.32 -4.01 4.41 3.57 -1.47 -3.49 116.94 114.36 3kb3 h PHE 212 Ca -0.60 -0.23 -0.13 0.00 3.53 0.00 0.00 57.97 60.53 3kb3 h PHE 212 Cb 1.35 -0.01 -0.17 0.00 2.79 0.00 0.00 35.95 39.91 3kb3 h PHE 212 CO 0.46 1.34 -0.62 -0.48 -2.23 0.00 0.00 178.31 176.78 3kb3 s LEU 213 N -7.85 2.16 -0.26 0.59 0.05 -1.13 -5.01 118.68 107.23 3kb3 s LEU 213 Ca -0.19 -0.70 -0.10 0.00 0.05 0.00 0.00 54.13 53.20 3kb3 s LEU 213 Cb 0.02 0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 44.45 3kb3 s LEU 213 CO 0.75 -0.49 0.15 -0.75 -0.55 0.00 0.00 176.35 175.46 3kb3 s LYS 214 N -2.81 3.90 -0.03 1.48 2.20 -1.26 -0.20 119.74 123.02 3kb3 s LYS 214 Ca -0.03 -0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.08 3kb3 s LYS 214 Cb -0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 3kb3 s LYS 214 CO -0.06 -0.12 0.39 -0.51 -0.36 0.00 0.00 175.35 174.69 3kb3 s LEU 215 N 1.55 4.43 0.61 5.43 1.43 -0.58 -4.88 118.68 126.66 3kb3 s LEU 215 Ca 0.07 0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 3kb3 s LEU 215 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3kb3 s LEU 215 CO 0.08 0.27 1.00 -2.65 0.23 0.00 0.00 176.35 175.28 3kb3 n PRO 216 N 2.20 0.92 -0.14 1.29 -0.02 -1.26 -1.75 135.00 136.23 3kb3 n PRO 216 Ca -0.13 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 3kb3 n PRO 216 Cb 0.52 -2.21 0.08 0.00 -0.02 0.00 0.00 33.50 31.88 3kb3 n PRO 216 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kb3 n ILE 217 N -1.75 0.41 1.04 4.25 5.41 -1.26 -3.68 119.36 123.79 3kb3 n ILE 217 Ca 0.14 -0.26 0.04 0.00 1.00 0.00 0.00 62.75 63.67 3kb3 n ILE 217 Cb 0.47 -0.19 0.12 0.00 -0.71 0.00 0.00 39.64 39.34 3kb3 n ILE 217 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3kb3 n LYS 218 N 0.05 1.72 0.00 0.38 3.00 -1.26 -4.39 118.16 117.66 3kb3 n LYS 218 Ca 0.06 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.38 3kb3 n LYS 218 Cb 0.30 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.05 3kb3 n LYS 218 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3kb3 n MET 219 N 0.28 0.00 0.00 1.64 2.81 -1.24 -5.11 117.12 115.50 3kb3 n MET 219 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3kb3 n MET 219 Cb 0.27 -0.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 3kb3 n MET 219 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kb3 n LEU 220 N 0.00 0.00 0.00 4.03 0.00 -1.26 -4.99 117.00 114.77 3kb3 n LEU 220 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 56.01 55.75 3kb3 n LEU 220 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3kb3 n LEU 220 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 177.39 177.72 3kb3 n LEU 234 N 0.00 0.00 -4.76 -1.96 -0.00 -0.72 -5.18 117.00 104.39 3kb3 n LEU 234 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 3kb3 n LEU 234 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 3kb3 n LEU 234 CO 0.00 0.00 1.01 0.28 -0.00 0.00 0.00 177.39 178.68 3kb3 s THR 235 N -2.61 2.82 -0.07 1.47 -1.32 -1.26 -1.53 115.64 113.13 3kb3 s THR 235 Ca 0.00 0.74 0.05 0.00 -1.21 0.00 0.00 61.69 61.28 3kb3 s THR 235 Cb 0.00 -3.47 -0.01 0.00 -1.51 0.00 0.00 72.50 67.51 3kb3 s THR 235 CO 0.00 0.15 -0.25 -0.83 -2.21 0.00 0.00 174.62 171.48 3kb3 s GLY 236 N -0.06 1.31 -0.14 6.08 0.00 0.71 -4.42 107.32 110.80 3kb3 s GLY 236 Ca 0.54 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 3kb3 s GLY 236 CO 0.47 -0.52 0.03 0.30 0.00 0.00 0.00 173.10 173.38 3kb3 s HIS 237 N 0.03 3.22 -0.13 1.90 3.76 0.85 -2.00 115.29 122.92 3kb3 s HIS 237 Ca -0.10 0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 3kb3 s HIS 237 Cb -0.15 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 3kb3 s HIS 237 CO 0.06 0.28 -0.03 0.12 -0.85 0.00 0.00 174.74 174.31 3kb3 s PHE 238 N -0.15 3.05 -0.03 1.40 5.36 -0.39 -0.81 117.98 126.41 3kb3 s PHE 238 Ca 0.06 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 3kb3 s PHE 238 Cb -0.12 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.68 3kb3 s PHE 238 CO 0.02 0.13 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.79 3kb3 s PHE 239 N -0.07 0.77 -0.09 10.12 0.40 0.56 -0.46 117.98 129.21 3kb3 s PHE 239 Ca 0.02 -0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.06 3kb3 s PHE 239 Cb -0.13 -0.59 0.03 0.00 0.51 0.00 0.00 43.02 42.83 3kb3 s PHE 239 CO 0.02 -0.11 0.27 0.20 0.70 0.00 0.00 175.22 176.30 3kb3 s GLY 240 N 0.40 -0.19 -0.05 4.36 0.00 0.35 0.05 107.32 112.25 3kb3 s GLY 240 Ca -0.06 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.42 3kb3 s GLY 240 CO 0.00 0.58 -0.25 0.14 0.00 0.00 0.00 173.10 173.57 3kb3 s VAL 241 N -0.04 2.02 -0.25 1.40 1.01 -0.15 -0.36 120.40 124.03 3kb3 s VAL 241 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 3kb3 s VAL 241 Cb -0.02 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3kb3 s VAL 241 CO 0.01 0.56 0.04 -0.31 0.00 0.00 0.00 175.10 175.40 3kb3 s TYR 242 N -0.22 1.55 -0.52 5.22 2.02 0.60 -1.44 117.35 124.56 3kb3 s TYR 242 Ca -0.02 -1.36 -0.18 0.00 -0.37 0.00 0.00 57.07 55.15 3kb3 s TYR 242 Cb -0.13 -1.39 0.08 0.00 -0.40 0.00 0.00 41.96 40.12 3kb3 s TYR 242 CO 0.03 -0.74 0.56 0.34 -1.57 0.00 0.00 175.55 174.17 3kb3 s ASP 243 N 1.68 6.19 0.48 2.29 2.15 -1.24 -0.24 116.67 127.97 3kb3 s ASP 243 Ca 0.02 -1.28 -0.21 0.00 0.43 0.00 0.00 52.55 51.51 3kb3 s ASP 243 Cb -0.17 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 40.12 3kb3 s ASP 243 CO -0.14 -0.87 1.09 -0.83 -0.17 0.00 0.00 175.17 174.25 3kb3 s GLY 244 N 3.02 2.64 0.00 2.66 0.00 0.26 -1.53 107.32 114.37 3kb3 s GLY 244 Ca 0.09 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 45.54 3kb3 s GLY 244 CO 0.08 1.12 0.04 -2.38 0.00 0.00 0.00 173.10 171.96 3kb3 s HIS 245 N -1.78 0.10 0.00 1.90 -3.43 -0.57 -4.69 115.29 106.82 3kb3 s HIS 245 Ca 0.66 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 3kb3 s HIS 245 Cb -0.22 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 3kb3 s HIS 245 CO 0.26 -0.16 0.00 0.41 -2.00 0.00 0.00 174.74 173.26 3kb3 n GLY 246 N 2.08 2.45 0.00 -1.38 0.00 -1.26 -2.15 105.19 104.93 3kb3 n GLY 246 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kb3 n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kb3 n GLY 247 N -2.00 0.54 0.15 -0.02 0.00 -1.26 -4.61 105.19 97.99 3kb3 n GLY 247 Ca 0.00 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 44.82 3kb3 n GLY 247 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kb3 n HIS 248 N -1.10 0.00 0.14 1.61 1.44 -1.26 -4.66 115.22 111.38 3kb3 n HIS 248 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 3kb3 n HIS 248 Cb 0.00 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.25 3kb3 n HIS 248 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3kb3 h LYS 249 N 0.75 0.00 -0.05 -1.40 6.56 -1.92 -1.92 116.57 118.58 3kb3 h LYS 249 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 3kb3 h LYS 249 Cb 0.56 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.22 3kb3 h LYS 249 CO 0.00 0.58 -0.37 0.28 -2.06 0.00 0.00 179.45 177.87 3kb3 h VAL 250 N 0.00 1.44 -0.45 0.50 2.07 -1.83 -1.33 116.25 116.64 3kb3 h VAL 250 Ca -0.01 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3kb3 h VAL 250 Cb 1.23 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 3kb3 h VAL 250 CO 0.08 0.52 0.29 0.00 0.02 0.00 0.00 177.57 178.48 3kb3 h ALA 251 N 0.39 0.58 -0.59 1.67 0.00 -1.74 -0.25 119.26 119.32 3kb3 h ALA 251 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kb3 h ALA 251 Cb 1.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3kb3 h ALA 251 CO 0.08 0.05 0.38 -0.44 0.00 0.00 0.00 179.25 179.32 3kb3 h ASP 252 N 0.61 0.69 -0.43 0.00 3.32 -1.42 -1.23 116.42 117.96 3kb3 h ASP 252 Ca 0.16 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3kb3 h ASP 252 Cb -0.04 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3kb3 h ASP 252 CO -0.03 0.51 0.13 0.22 -1.72 0.00 0.00 179.24 178.34 3kb3 h TYR 253 N 0.80 0.22 -0.26 4.55 3.20 -0.68 -0.83 116.97 123.96 3kb3 h TYR 253 Ca 0.22 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3kb3 h TYR 253 Cb -0.08 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3kb3 h TYR 253 CO -0.03 0.07 0.15 0.00 -1.64 0.00 0.00 178.16 176.70 3kb3 h ARG 255 N 0.31 -0.11 0.00 0.00 2.43 -0.87 -0.40 114.38 115.73 3kb3 h ARG 255 Ca 0.10 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3kb3 h ARG 255 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kb3 h ARG 255 CO -0.05 -0.07 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.71 3kb3 h ASP 256 N -0.12 0.00 0.00 -3.80 3.45 -0.39 -3.40 116.42 112.16 3kb3 h ASP 256 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3kb3 h ASP 256 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3kb3 h ASP 256 CO -0.63 0.18 -0.48 -1.14 -1.57 0.00 0.00 179.24 175.60 3kb3 n ARG 257 N -3.28 1.13 -0.26 3.56 3.00 -0.30 -4.81 116.66 115.70 3kb3 n ARG 257 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.84 3kb3 n ARG 257 Cb 0.44 -0.74 0.10 0.00 0.00 0.00 0.00 32.46 32.26 3kb3 n ARG 257 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3kb3 h LEU 258 N 0.00 0.68 -0.41 6.15 6.46 -1.26 -0.51 115.31 126.40 3kb3 h LEU 258 Ca 0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3kb3 h LEU 258 Cb 0.48 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 3kb3 h LEU 258 CO 0.00 0.45 0.24 1.12 -0.62 0.00 0.00 178.44 179.63 3kb3 h HIS 259 N 0.81 0.45 -0.92 1.25 2.07 -1.85 0.26 115.15 117.23 3kb3 h HIS 259 Ca 0.31 0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.87 3kb3 h HIS 259 Cb 0.13 -0.15 -0.05 0.00 2.57 0.00 0.00 27.41 29.91 3kb3 h HIS 259 CO -0.05 0.26 0.60 0.74 -3.07 0.00 0.00 177.93 176.41 3kb3 h PHE 260 N 0.49 1.13 0.00 6.12 0.04 -1.48 -1.93 116.94 121.32 3kb3 h PHE 260 Ca 0.16 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 3kb3 h PHE 260 Cb 0.01 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 3kb3 h PHE 260 CO -0.07 0.68 -0.20 0.00 -0.60 0.00 0.00 178.31 178.11 3kb3 h ALA 261 N 1.36 1.64 -0.14 2.45 0.00 -0.69 -1.87 119.26 122.02 3kb3 h ALA 261 Ca 0.35 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3kb3 h ALA 261 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kb3 h ALA 261 CO -0.10 0.25 -0.26 1.25 0.00 0.00 0.00 179.25 180.39 3kb3 h LEU 262 N 0.00 0.47 -1.12 0.00 5.85 -0.22 -2.63 115.31 117.66 3kb3 h LEU 262 Ca -0.00 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3kb3 h LEU 262 Cb 0.36 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3kb3 h LEU 262 CO 0.03 0.93 0.27 0.00 -0.34 0.00 0.00 178.44 179.33 3kb3 h ALA 263 N 0.55 1.31 -0.58 1.25 0.00 -1.07 -2.33 119.26 118.40 3kb3 h ALA 263 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kb3 h ALA 263 Cb 0.85 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kb3 h ALA 263 CO 0.06 0.52 0.15 0.93 0.00 0.00 0.00 179.25 180.91 3kb3 h GLU 264 N 0.88 0.92 -1.01 0.00 5.08 -1.39 -2.05 114.58 117.01 3kb3 h GLU 264 Ca 0.21 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kb3 h GLU 264 Cb 0.13 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kb3 h GLU 264 CO -0.02 0.85 0.00 0.39 -1.00 0.00 0.00 179.01 179.22 3kb3 n GLU 265 N -4.39 0.91 -0.08 2.33 -0.58 -0.89 -3.20 120.64 114.75 3kb3 n GLU 265 Ca 0.03 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 3kb3 n GLU 265 Cb 0.23 -1.23 -0.16 0.00 -0.57 0.00 0.00 31.44 29.71 3kb3 n GLU 265 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3kb3 n ILE 266 N 0.31 1.18 -2.30 -3.67 2.08 -0.77 -4.86 119.36 111.34 3kb3 n ILE 266 Ca 0.00 -0.79 -0.43 0.00 0.56 0.00 0.00 62.75 62.09 3kb3 n ILE 266 Cb 0.35 -0.43 -0.02 0.00 -0.75 0.00 0.00 39.64 38.79 3kb3 n ILE 266 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kb3 s GLU 267 N -2.67 3.53 1.01 0.38 8.01 -1.19 -5.02 118.70 122.74 3kb3 s GLU 267 Ca -0.09 0.99 -0.23 0.00 0.01 0.00 0.00 54.97 55.65 3kb3 s GLU 267 Cb 0.07 -4.05 -0.14 0.00 -4.31 0.00 0.00 34.13 25.70 3kb3 s GLU 267 CO 0.84 -1.62 -1.07 0.54 0.01 0.00 0.00 175.26 173.95 3kb3 n ARG 268 N 8.15 -0.22 -0.10 1.61 1.74 -1.26 -5.10 116.66 121.48 3kb3 n ARG 268 Ca 0.17 -0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 3kb3 n ARG 268 Cb 0.48 -1.13 0.13 0.00 -1.02 0.00 0.00 32.46 30.91 3kb3 n ARG 268 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3kb3 n ARG 282 N 1.70 1.84 0.03 5.56 1.85 -1.26 -5.18 116.66 121.20 3kb3 n ARG 282 Ca -0.01 -1.77 0.08 0.00 -1.00 0.00 0.00 57.85 55.15 3kb3 n ARG 282 Cb 0.68 -1.33 -0.10 0.00 -1.05 0.00 0.00 32.46 30.66 3kb3 n ARG 282 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3kb3 n GLN 283 N 0.89 0.64 0.00 2.89 0.00 -1.26 -4.45 117.38 116.08 3kb3 n GLN 283 Ca 0.12 -0.03 0.11 0.00 -0.00 0.00 0.00 57.00 57.20 3kb3 n GLN 283 Cb 0.43 -1.66 0.52 0.00 0.00 0.00 0.00 30.24 29.54 3kb3 n GLN 283 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3kb3 n VAL 284 N -2.51 0.38 0.02 1.69 0.31 -1.26 -3.43 118.33 113.53 3kb3 n VAL 284 Ca -0.05 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 3kb3 n VAL 284 Cb 0.64 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.75 3kb3 n VAL 284 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3kb3 h GLN 285 N 0.00 -0.07 -0.13 5.55 4.20 -1.99 -1.44 115.11 121.23 3kb3 h GLN 285 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3kb3 h GLN 285 Cb 0.27 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3kb3 h GLN 285 CO 0.00 0.37 0.01 -1.49 -0.67 0.00 0.00 178.83 177.04 3kb3 h TRP 286 N -0.52 0.24 -0.94 2.96 4.06 -1.88 0.69 115.95 120.55 3kb3 h TRP 286 Ca -0.01 -0.04 0.22 0.00 2.06 0.00 0.00 58.89 61.13 3kb3 h TRP 286 Cb 0.47 -0.06 -0.12 0.00 -1.00 0.00 0.00 29.16 28.44 3kb3 h TRP 286 CO 0.08 0.44 0.49 0.22 -3.56 0.00 0.00 178.44 176.11 3kb3 h ASP 287 N -0.03 0.51 -0.02 -3.49 3.58 -1.64 0.46 116.42 115.79 3kb3 h ASP 287 Ca 0.04 0.14 -0.22 0.00 0.42 0.00 0.00 57.03 57.41 3kb3 h ASP 287 Cb 0.34 0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.47 3kb3 h ASP 287 CO 0.01 0.07 -0.79 0.50 -2.88 0.00 0.00 179.24 176.14 3kb3 h LYS 288 N 0.51 0.68 -0.54 0.28 3.64 -0.72 -2.55 116.57 117.86 3kb3 h LYS 288 Ca 0.59 -0.57 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3kb3 h LYS 288 Cb 1.10 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3kb3 h LYS 288 CO -0.49 1.19 0.13 -0.24 -2.27 0.00 0.00 179.45 177.77 3kb3 h VAL 289 N 0.46 1.24 -0.08 2.00 3.04 0.53 -2.69 116.25 120.76 3kb3 h VAL 289 Ca -0.05 -0.86 -0.19 0.00 -1.01 0.00 0.00 66.70 64.58 3kb3 h VAL 289 Cb 1.41 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3kb3 h VAL 289 CO 0.16 0.32 -0.74 -0.26 -1.01 0.00 0.00 177.57 176.03 3kb3 h PHE 290 N 0.76 0.59 -0.41 3.17 0.04 -1.01 -0.46 116.94 119.61 3kb3 h PHE 290 Ca 0.17 -0.26 -0.15 0.00 2.80 0.00 0.00 57.97 60.53 3kb3 h PHE 290 Cb 0.34 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3kb3 h PHE 290 CO 0.02 1.02 -0.33 1.79 -0.60 0.00 0.00 178.31 180.22 3kb3 h THR 291 N 0.29 1.27 -0.52 -1.55 1.35 -1.49 0.23 112.91 112.49 3kb3 h THR 291 Ca -0.03 -1.50 -0.02 0.00 -0.55 0.00 0.00 66.41 64.30 3kb3 h THR 291 Cb 1.32 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 3kb3 h THR 291 CO 0.13 0.51 0.23 -1.28 -0.25 0.00 0.00 175.52 174.86 3kb3 h SER 292 N 0.78 0.70 0.00 5.36 0.87 -1.34 -0.08 113.55 119.83 3kb3 h SER 292 Ca 0.08 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3kb3 h SER 292 Cb 0.92 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3kb3 h SER 292 CO 0.09 0.65 -0.06 0.00 -0.53 0.00 0.00 176.83 176.98 3kb3 h PHE 294 N -0.11 0.51 -0.28 0.00 -1.00 -0.35 -2.00 116.94 113.71 3kb3 h PHE 294 Ca 0.02 -0.11 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 3kb3 h PHE 294 Cb 0.13 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 3kb3 h PHE 294 CO -0.13 0.69 -0.08 -0.07 -1.61 0.00 0.00 178.31 177.11 3kb3 h LEU 295 N 0.40 0.55 -0.49 1.54 3.38 -0.71 -1.14 115.31 118.84 3kb3 h LEU 295 Ca 0.06 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kb3 h LEU 295 Cb 0.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3kb3 h LEU 295 CO 0.05 0.80 0.31 0.74 0.09 0.00 0.00 178.44 180.43 3kb3 h THR 296 N 0.29 1.08 -0.38 0.22 2.02 -0.82 0.24 112.91 115.57 3kb3 h THR 296 Ca 0.07 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3kb3 h THR 296 Cb 0.57 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3kb3 h THR 296 CO 0.03 0.11 -0.14 1.62 0.37 0.00 0.00 175.52 177.52 3kb3 h VAL 297 N 0.62 1.28 -0.65 3.16 3.04 -1.26 -0.27 116.25 122.18 3kb3 h VAL 297 Ca 0.19 -1.25 0.08 0.00 -1.01 0.00 0.00 66.70 64.71 3kb3 h VAL 297 Cb -0.02 1.29 -0.06 0.00 -2.01 0.00 0.00 31.29 30.49 3kb3 h VAL 297 CO -0.07 0.41 0.32 -0.78 -1.01 0.00 0.00 177.57 176.45 3kb3 h ASP 298 N 0.56 0.43 0.51 3.17 3.58 -0.82 -1.28 116.42 122.56 3kb3 h ASP 298 Ca 0.09 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.47 3kb3 h ASP 298 Cb 0.67 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 3kb3 h ASP 298 CO 0.05 0.26 -0.54 1.23 -2.88 0.00 0.00 179.24 177.36 3kb3 h GLY 299 N 0.57 0.04 0.97 -0.78 0.00 -0.31 -0.95 103.07 102.61 3kb3 h GLY 299 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3kb3 h GLY 299 CO -0.23 0.04 0.17 0.83 0.00 0.00 0.00 176.54 177.35 3kb3 h GLU 300 N 0.03 0.40 -0.66 4.80 5.08 -0.30 -1.53 114.58 122.40 3kb3 h GLU 300 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3kb3 h GLU 300 Cb 0.97 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3kb3 h GLU 300 CO 0.07 0.32 0.26 0.82 -1.00 0.00 0.00 179.01 179.48 3kb3 h ILE 301 N 0.36 1.24 0.00 3.13 2.04 -1.03 -2.12 117.51 121.13 3kb3 h ILE 301 Ca 0.10 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kb3 h ILE 301 Cb 0.03 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3kb3 h ILE 301 CO -0.02 0.30 0.00 -0.08 0.00 0.00 0.00 178.15 178.35 3kb3 h GLU 302 N 0.93 0.00 0.00 2.37 4.81 -0.92 -1.14 114.58 120.62 3kb3 h GLU 302 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3kb3 h GLU 302 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3kb3 h GLU 302 CO -0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 3kb3 n GLY 303 N -0.84 0.66 0.11 1.92 0.00 -0.80 -4.44 105.19 101.80 3kb3 n GLY 303 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3kb3 n GLY 303 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kb3 h LYS 304 N 1.87 0.00 -6.20 1.61 1.79 -1.53 -3.31 116.57 110.80 3kb3 h LYS 304 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 3kb3 h LYS 304 Cb 0.00 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.46 3kb3 h LYS 304 CO 0.00 0.32 -0.70 0.42 -1.08 0.00 0.00 179.45 178.41 3kb3 s ILE 305 N -2.97 3.62 0.33 1.86 1.09 -1.03 -4.98 121.20 119.11 3kb3 s ILE 305 Ca -0.01 -0.58 -0.29 0.00 -1.10 0.00 0.00 60.65 58.68 3kb3 s ILE 305 Cb 0.08 -2.49 -0.10 0.00 -1.06 0.00 0.00 42.46 38.89 3kb3 s ILE 305 CO 0.79 0.55 1.27 -0.83 -0.10 0.00 0.00 174.94 176.62 3kb3 s GLY 306 N -0.94 3.01 0.01 6.18 0.00 -1.26 -4.48 107.32 109.84 3kb3 s GLY 306 Ca 0.13 1.19 0.08 0.00 0.00 0.00 0.00 44.72 46.13 3kb3 s GLY 306 CO 0.03 1.83 -0.24 0.50 0.00 0.00 0.00 173.10 175.21 3kb3 s ARG 307 N -1.76 1.83 -0.41 2.90 0.52 0.32 -4.80 118.95 117.56 3kb3 s ARG 307 Ca 0.48 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 3kb3 s ARG 307 Cb -0.38 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.22 3kb3 s ARG 307 CO 0.51 0.50 1.46 0.00 0.02 0.00 0.00 175.30 177.78 3kb3 s ALA 308 N -0.68 3.00 0.00 2.13 0.00 -1.26 -1.08 121.76 123.88 3kb3 s ALA 308 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3kb3 s ALA 308 Cb -0.09 -3.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.06 3kb3 s ALA 308 CO 0.00 -2.47 -0.05 0.14 0.00 0.00 0.00 175.76 173.39 3kb3 s VAL 309 N 5.66 0.37 -0.03 0.00 -7.23 -1.26 -5.02 120.40 112.89 3kb3 s VAL 309 Ca 0.63 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 3kb3 s VAL 309 Cb -0.14 -0.35 0.03 0.00 0.56 0.00 0.00 36.38 36.48 3kb3 s VAL 309 CO 0.32 0.00 0.05 -0.69 -0.31 0.00 0.00 175.10 174.47 3kb3 s VAL 310 N -0.35 -0.08 0.11 1.32 1.01 -1.26 -4.65 120.40 116.50 3kb3 s VAL 310 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3kb3 s VAL 310 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3kb3 s VAL 310 CO -0.00 0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.99 3kb3 n SER 312 N 4.67 0.24 -0.08 3.32 2.88 -1.26 -5.26 113.62 118.12 3kb3 n SER 312 Ca -0.17 0.18 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 3kb3 n SER 312 Cb 0.50 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 3kb3 n SER 312 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3kb3 n SER 313 N -3.05 1.84 -4.73 -3.46 2.88 -1.26 -4.89 113.62 100.95 3kb3 n SER 313 Ca 0.00 0.55 -0.41 0.00 -1.33 0.00 0.00 58.87 57.68 3kb3 n SER 313 Cb 0.00 -0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 62.55 3kb3 n SER 313 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3kb3 s ASP 314 N -6.02 7.31 0.23 -3.46 1.01 -1.26 -4.99 116.67 109.50 3kb3 s ASP 314 Ca -0.20 1.92 -0.31 0.00 0.71 0.00 0.00 52.55 54.66 3kb3 s ASP 314 Cb 0.03 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 3kb3 s ASP 314 CO 0.32 -0.23 1.47 0.29 0.21 0.00 0.00 175.17 177.23 3kb3 n LYS 315 N 3.05 2.17 -4.08 8.23 5.02 -1.26 -4.78 118.16 126.50 3kb3 n LYS 315 Ca 0.04 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 3kb3 n LYS 315 Cb 0.48 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 32.95 3kb3 n LYS 315 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kb3 s VAL 316 N 0.14 4.63 -0.44 -0.18 -7.23 -0.24 -4.61 120.40 112.47 3kb3 s VAL 316 Ca 0.69 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 60.04 3kb3 s VAL 316 Cb -0.63 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.16 3kb3 s VAL 316 CO 0.47 0.24 0.88 -0.76 -0.31 0.00 0.00 175.10 175.63 3kb3 s LEU 317 N -2.05 4.07 -0.30 1.32 1.02 -1.26 -0.52 118.68 120.96 3kb3 s LEU 317 Ca 0.26 0.13 -0.10 0.00 0.02 0.00 0.00 54.13 54.44 3kb3 s LEU 317 Cb -0.12 -3.14 0.14 0.00 0.02 0.00 0.00 46.19 43.09 3kb3 s LEU 317 CO 0.18 -0.98 0.70 -0.70 0.02 0.00 0.00 176.35 175.57 3kb3 s GLU 318 N 3.58 0.53 0.23 1.70 2.56 -1.25 -4.99 118.70 121.06 3kb3 s GLU 318 Ca 0.35 1.29 -0.31 0.00 0.00 0.00 0.00 54.97 56.30 3kb3 s GLU 318 Cb -0.11 0.77 -0.14 0.00 2.00 0.00 0.00 34.13 36.65 3kb3 s GLU 318 CO 0.24 -0.22 1.26 0.00 -0.56 0.00 0.00 175.26 175.98 3kb3 n ALA 319 N 5.38 0.31 0.21 6.30 0.00 -1.26 -4.26 120.51 127.19 3kb3 n ALA 319 Ca -0.10 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.85 3kb3 n ALA 319 Cb 0.50 -2.15 0.37 0.00 0.00 0.00 0.00 19.45 18.17 3kb3 n ALA 319 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3kb3 h VAL 320 N 2.73 0.48 -2.46 0.00 3.04 -1.40 -3.47 116.25 115.16 3kb3 h VAL 320 Ca -0.44 -1.23 0.12 0.00 -1.01 0.00 0.00 66.70 64.14 3kb3 h VAL 320 Cb 1.31 1.88 -0.11 0.00 -2.01 0.00 0.00 31.29 32.36 3kb3 h VAL 320 CO 0.71 0.22 0.43 0.00 -1.01 0.00 0.00 177.57 177.91 3kb3 s ALA 321 N -3.48 -1.67 0.91 3.17 0.00 -1.26 -4.89 121.76 114.53 3kb3 s ALA 321 Ca 0.02 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 3kb3 s ALA 321 Cb 0.09 0.61 0.14 0.00 0.00 0.00 0.00 23.12 23.95 3kb3 s ALA 321 CO 0.65 -0.88 1.12 -1.54 0.00 0.00 0.00 175.76 175.11 3kb3 s SER 322 N -2.74 3.13 0.23 0.00 1.04 -1.26 -4.89 113.70 109.21 3kb3 s SER 322 Ca 0.08 1.97 0.19 0.00 0.48 0.00 0.00 55.95 58.67 3kb3 s SER 322 Cb -0.02 -2.49 0.91 0.00 0.10 0.00 0.00 66.02 64.52 3kb3 s SER 322 CO -0.03 -2.93 1.59 -1.84 0.98 0.00 0.00 173.24 171.00 3kb3 n GLU 323 N -4.11 0.13 -0.41 4.02 0.00 -1.26 -1.76 120.64 117.25 3kb3 n GLU 323 Ca 0.10 0.50 0.08 0.00 0.00 0.00 0.00 57.16 57.84 3kb3 n GLU 323 Cb 0.53 -1.83 0.27 0.00 0.00 0.00 0.00 31.44 30.41 3kb3 n GLU 323 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3kb3 n THR 324 N -2.09 1.17 -4.80 3.84 5.66 -1.26 -3.06 114.28 113.73 3kb3 n THR 324 Ca 0.01 -0.87 -0.33 0.00 -3.05 0.00 0.00 64.05 59.81 3kb3 n THR 324 Cb 0.12 0.19 -0.13 0.00 -1.55 0.00 0.00 70.33 68.96 3kb3 n THR 324 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kb3 s VAL 325 N -1.55 3.18 0.22 1.08 0.11 -0.72 -4.43 120.40 118.30 3kb3 s VAL 325 Ca 0.40 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 3kb3 s VAL 325 Cb 0.24 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3kb3 s VAL 325 CO 0.23 0.57 0.25 0.61 -3.33 0.00 0.00 175.10 173.43 3kb3 n GLY 326 N 2.70 2.89 3.48 6.54 0.00 -0.91 -1.44 105.19 118.43 3kb3 n GLY 326 Ca -0.18 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 3kb3 n GLY 326 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kb3 s SER 327 N -2.46 -0.60 0.86 1.61 0.15 -0.19 -1.51 113.70 111.57 3kb3 s SER 327 Ca 0.22 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.29 3kb3 s SER 327 Cb 0.00 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 64.95 3kb3 s SER 327 CO 0.16 -0.65 1.14 0.42 1.20 0.00 0.00 173.24 175.51 3kb3 s THR 328 N -1.62 2.23 -0.15 6.45 -4.23 -0.58 -0.76 115.64 116.97 3kb3 s THR 328 Ca -0.09 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 3kb3 s THR 328 Cb -0.01 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 71.01 3kb3 s THR 328 CO 0.06 -0.10 0.31 0.00 -0.54 0.00 0.00 174.62 174.35 3kb3 s ALA 329 N -3.34 -0.75 -0.13 3.99 0.00 0.35 -3.66 121.76 118.22 3kb3 s ALA 329 Ca 0.63 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.73 3kb3 s ALA 329 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3kb3 s ALA 329 CO 0.52 -0.67 -0.21 0.54 0.00 0.00 0.00 175.76 175.95 3kb3 s VAL 330 N 2.45 2.23 0.04 0.00 0.11 -0.52 -0.10 120.40 124.61 3kb3 s VAL 330 Ca 0.00 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3kb3 s VAL 330 Cb -0.12 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 3kb3 s VAL 330 CO -0.10 0.54 -0.12 0.68 -3.33 0.00 0.00 175.10 172.77 3kb3 s VAL 331 N 0.66 0.94 -0.03 2.04 -7.23 0.10 -0.98 120.40 115.90 3kb3 s VAL 331 Ca -0.10 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3kb3 s VAL 331 Cb -0.16 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3kb3 s VAL 331 CO 0.02 -0.10 -0.14 0.00 -0.31 0.00 0.00 175.10 174.57 3kb3 s ALA 332 N -0.95 1.27 -0.16 1.32 0.00 0.11 -0.43 121.76 122.92 3kb3 s ALA 332 Ca -0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 3kb3 s ALA 332 Cb -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3kb3 s ALA 332 CO 0.01 0.23 0.11 -0.51 0.00 0.00 0.00 175.76 175.60 3kb3 s LEU 333 N 0.04 4.13 -0.13 0.00 1.02 -0.06 -0.32 118.68 123.37 3kb3 s LEU 333 Ca -0.02 0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.43 3kb3 s LEU 333 Cb -0.10 -2.03 0.01 0.00 0.02 0.00 0.00 46.19 44.09 3kb3 s LEU 333 CO 0.01 0.28 -0.21 -0.69 0.02 0.00 0.00 176.35 175.76 3kb3 s VAL 334 N -0.24 1.93 0.40 -1.59 1.01 0.01 -1.50 120.40 120.43 3kb3 s VAL 334 Ca 0.10 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3kb3 s VAL 334 Cb -0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3kb3 s VAL 334 CO 0.01 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.68 3kb3 h SER 336 N 1.79 0.00 0.00 0.00 4.64 -1.96 -3.20 113.55 114.82 3kb3 h SER 336 Ca -0.42 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.71 3kb3 h SER 336 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3kb3 h SER 336 CO 0.72 0.00 -1.74 -1.54 -0.87 0.00 0.00 176.83 173.40 3kb3 n SER 337 N -3.01 2.37 -4.14 4.97 3.41 -1.26 -4.88 113.62 111.09 3kb3 n SER 337 Ca -0.02 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 3kb3 n SER 337 Cb 0.11 0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 64.67 3kb3 n SER 337 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kb3 s HIS 338 N -2.26 0.82 -0.16 7.33 4.02 -1.21 -0.82 115.29 123.00 3kb3 s HIS 338 Ca -0.06 -0.81 0.02 0.00 1.02 0.00 0.00 55.06 55.22 3kb3 s HIS 338 Cb 0.03 -0.48 0.02 0.00 -1.02 0.00 0.00 32.58 31.13 3kb3 s HIS 338 CO 0.43 -0.14 -0.21 0.42 1.02 0.00 0.00 174.74 176.27 3kb3 s ILE 339 N -3.05 2.04 -0.18 0.60 1.01 0.83 -1.27 121.20 121.17 3kb3 s ILE 339 Ca 0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 3kb3 s ILE 339 Cb 0.01 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 3kb3 s ILE 339 CO -0.04 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 3kb3 s VAL 340 N 1.09 2.97 -0.18 2.92 1.01 -0.56 -1.46 120.40 126.19 3kb3 s VAL 340 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3kb3 s VAL 340 Cb -0.14 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3kb3 s VAL 340 CO -0.08 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 174.78 3kb3 s VAL 341 N 1.09 3.78 -0.19 2.92 1.01 -0.83 -0.88 120.40 127.30 3kb3 s VAL 341 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3kb3 s VAL 341 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3kb3 s VAL 341 CO -0.03 0.46 -0.12 -0.55 0.00 0.00 0.00 175.10 174.87 3kb3 s SER 342 N 0.73 3.79 -0.08 3.32 0.15 0.42 -1.28 113.70 120.75 3kb3 s SER 342 Ca -0.01 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.19 3kb3 s SER 342 Cb -0.14 -1.62 -0.00 0.00 -1.71 0.00 0.00 66.02 62.55 3kb3 s SER 342 CO 0.02 0.01 -0.22 0.21 1.20 0.00 0.00 173.24 174.46 3kb3 s ASN 343 N 1.29 2.81 -0.23 5.45 2.47 0.34 -0.72 114.94 126.36 3kb3 s ASN 343 Ca 0.04 -0.49 -0.03 0.00 0.42 0.00 0.00 52.86 52.79 3kb3 s ASN 343 Cb -0.14 -1.10 0.07 0.00 -1.45 0.00 0.00 41.25 38.63 3kb3 s ASN 343 CO -0.06 0.16 0.07 0.00 -3.72 0.00 0.00 177.10 173.56 3kb3 n GLY 345 N 5.09 0.53 0.71 0.00 0.00 -1.25 -0.50 105.19 109.78 3kb3 n GLY 345 Ca -0.07 -2.17 0.06 0.00 0.00 0.00 0.00 46.02 43.85 3kb3 n GLY 345 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kb3 n ASP 346 N 0.00 3.19 -4.37 1.61 5.68 -1.26 -0.76 116.55 120.64 3kb3 n ASP 346 Ca 0.00 -2.28 -0.29 0.00 -0.50 0.00 0.00 54.79 51.72 3kb3 n ASP 346 Cb 0.00 -0.32 0.20 0.00 -1.14 0.00 0.00 41.12 39.87 3kb3 n ASP 346 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3kb3 s SER 347 N -1.25 1.89 -0.18 -1.12 0.01 -1.26 -4.30 113.70 107.49 3kb3 s SER 347 Ca 0.28 0.99 -0.28 0.00 1.31 0.00 0.00 55.95 58.25 3kb3 s SER 347 Cb 0.18 -1.51 0.07 0.00 0.21 0.00 0.00 66.02 64.97 3kb3 s SER 347 CO 0.14 -3.56 0.73 -0.60 0.41 0.00 0.00 173.24 170.35 3kb3 s ARG 348 N -5.10 0.91 -0.07 12.44 3.52 -0.87 -4.73 118.95 125.06 3kb3 s ARG 348 Ca 0.67 0.65 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 3kb3 s ARG 348 Cb -0.16 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.67 3kb3 s ARG 348 CO 0.57 -0.19 -0.20 0.00 -0.81 0.00 0.00 175.30 174.67 3kb3 s ALA 349 N -0.32 1.78 -0.04 6.12 0.00 -1.26 -1.91 121.76 126.13 3kb3 s ALA 349 Ca -0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 3kb3 s ALA 349 Cb -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3kb3 s ALA 349 CO 0.04 0.28 0.00 0.08 0.00 0.00 0.00 175.76 176.17 3kb3 s VAL 350 N 0.19 0.22 -0.15 0.00 1.01 -0.21 -0.12 120.40 121.35 3kb3 s VAL 350 Ca -0.10 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 3kb3 s VAL 350 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3kb3 s VAL 350 CO 0.05 0.18 0.05 -0.22 0.00 0.00 0.00 175.10 175.16 3kb3 s LEU 351 N 1.34 3.82 -0.36 3.92 2.96 0.17 0.13 118.68 130.66 3kb3 s LEU 351 Ca -0.05 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 3kb3 s LEU 351 Cb -0.13 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3kb3 s LEU 351 CO -0.02 0.27 0.23 0.12 -1.32 0.00 0.00 176.35 175.63 3kb3 s PHE 352 N -0.19 3.23 -0.20 5.38 5.36 0.36 0.12 117.98 132.04 3kb3 s PHE 352 Ca 0.07 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 3kb3 s PHE 352 Cb -0.12 -2.48 0.04 0.00 -0.34 0.00 0.00 43.02 40.12 3kb3 s PHE 352 CO 0.01 -0.52 -0.12 0.50 -1.46 0.00 0.00 175.22 173.64 3kb3 s ARG 353 N 1.65 2.18 7.11 10.12 3.52 -0.49 -0.78 118.95 142.26 3kb3 s ARG 353 Ca 0.04 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3kb3 s ARG 353 Cb -0.18 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3kb3 s ARG 353 CO 0.09 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 3kb3 n GLY 354 N 4.66 2.68 0.62 8.12 0.00 0.78 -2.01 105.19 120.04 3kb3 n GLY 354 Ca -0.15 0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.97 3kb3 n GLY 354 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kb3 n LYS 355 N 7.40 2.46 -5.19 1.61 5.02 -1.26 -4.92 118.16 123.28 3kb3 n LYS 355 Ca 0.00 -1.91 -0.32 0.00 -2.02 0.00 0.00 58.31 54.06 3kb3 n LYS 355 Cb 0.00 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3kb3 n LYS 355 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kb3 s GLU 356 N -0.99 2.89 -0.07 1.97 0.41 -0.85 -5.04 118.70 117.02 3kb3 s GLU 356 Ca 0.22 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 3kb3 s GLU 356 Cb 0.12 -2.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 3kb3 s GLU 356 CO 0.16 0.26 1.34 0.00 -0.49 0.00 0.00 175.26 176.53 3kb3 s ALA 357 N 0.14 3.59 -0.38 5.21 0.00 -1.26 -1.39 121.76 127.67 3kb3 s ALA 357 Ca -0.12 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 3kb3 s ALA 357 Cb -0.16 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 19.44 3kb3 s ALA 357 CO 0.07 -1.02 0.16 -1.64 0.00 0.00 0.00 175.76 173.33 3kb3 s MET 358 N 2.90 2.25 0.14 0.00 -1.94 0.33 -4.93 119.30 118.05 3kb3 s MET 358 Ca 0.60 -1.58 -0.31 0.00 -1.71 0.00 0.00 55.69 52.68 3kb3 s MET 358 Cb -0.27 -3.51 -0.10 0.00 2.01 0.00 0.00 34.83 32.96 3kb3 s MET 358 CO 0.22 -0.92 1.66 -1.25 -0.01 0.00 0.00 175.02 174.73 3kb3 s PRO 359 N 1.23 4.18 0.00 2.03 0.04 -1.26 -0.65 135.00 140.57 3kb3 s PRO 359 Ca 0.03 2.44 0.23 0.00 0.04 0.00 0.00 61.00 63.74 3kb3 s PRO 359 Cb -0.22 -3.33 0.57 0.00 0.04 0.00 0.00 34.50 31.56 3kb3 s PRO 359 CO -0.02 -0.71 1.47 1.28 0.04 0.00 0.00 177.00 179.06 3kb3 n LEU 360 N 4.67 2.55 -3.85 -3.56 4.77 0.83 -4.91 117.00 117.50 3kb3 n LEU 360 Ca 0.15 -1.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.00 3kb3 n LEU 360 Cb 0.38 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 3kb3 n LEU 360 CO 0.63 0.52 -0.10 -0.94 -1.33 0.00 0.00 177.39 176.17 3kb3 s SER 361 N -1.62 0.10 -0.14 -1.43 1.04 -1.20 -4.64 113.70 105.80 3kb3 s SER 361 Ca 0.35 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.21 3kb3 s SER 361 Cb 0.20 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3kb3 s SER 361 CO 0.29 -0.69 -0.20 -0.69 0.98 0.00 0.00 173.24 172.93 3kb3 s VAL 362 N -3.58 1.94 0.36 5.02 1.01 -1.26 -4.75 120.40 119.14 3kb3 s VAL 362 Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 3kb3 s VAL 362 Cb 0.04 -1.74 -0.11 0.00 0.00 0.00 0.00 36.38 34.57 3kb3 s VAL 362 CO -0.09 0.53 1.51 -1.81 0.00 0.00 0.00 175.10 175.23 3kb3 s ASP 363 N 0.96 6.34 -1.20 3.32 1.11 -1.26 -4.89 116.67 121.05 3kb3 s ASP 363 Ca -0.04 3.04 -0.15 0.00 0.18 0.00 0.00 52.55 55.57 3kb3 s ASP 363 Cb -0.15 -2.66 0.15 0.00 1.07 0.00 0.00 42.92 41.33 3kb3 s ASP 363 CO -0.04 -0.89 1.47 -1.00 1.18 0.00 0.00 175.17 175.89 3kb3 s HIS 364 N -0.90 3.31 -0.06 4.23 3.76 0.06 -4.97 115.29 120.73 3kb3 s HIS 364 Ca 0.55 -1.95 -0.03 0.00 -0.15 0.00 0.00 55.06 53.47 3kb3 s HIS 364 Cb -0.47 -4.41 -0.04 0.00 1.11 0.00 0.00 32.58 28.78 3kb3 s HIS 364 CO 0.60 -1.49 0.12 0.15 -0.85 0.00 0.00 174.74 173.26 3kb3 s LYS 365 N 2.25 3.27 0.45 1.40 -0.14 -1.26 -1.53 119.74 124.18 3kb3 s LYS 365 Ca 0.44 -0.31 0.30 0.00 -1.36 0.00 0.00 55.97 55.04 3kb3 s LYS 365 Cb -0.02 -3.02 1.25 0.00 -1.68 0.00 0.00 37.83 34.37 3kb3 s LYS 365 CO 0.01 0.71 1.89 -1.35 -0.76 0.00 0.00 175.35 175.85 3kb3 h PRO 366 N 4.47 0.00 -0.00 -1.68 0.11 -1.82 -1.48 132.00 131.61 3kb3 h PRO 366 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kb3 h PRO 366 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kb3 h PRO 366 CO 0.61 0.00 -0.23 -0.40 -0.21 0.00 0.00 178.00 177.77 3kb3 n ASP 367 N -2.78 0.29 -4.67 -2.05 5.75 -1.26 -2.99 116.55 108.84 3kb3 n ASP 367 Ca 0.01 0.02 -0.46 0.00 -0.01 0.00 0.00 54.79 54.36 3kb3 n ASP 367 Cb 0.27 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 3kb3 n ASP 367 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3kb3 n ARG 368 N -1.42 2.09 -0.17 0.11 0.63 -0.56 -4.73 116.66 112.62 3kb3 n ARG 368 Ca 0.07 0.75 -0.09 0.00 -0.92 0.00 0.00 57.85 57.67 3kb3 n ARG 368 Cb 0.33 -2.47 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 3kb3 n ARG 368 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3kb3 h GLU 369 N 5.20 -0.25 -0.26 -0.14 4.57 -1.89 0.47 114.58 122.28 3kb3 h GLU 369 Ca -0.45 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 57.62 3kb3 h GLU 369 Cb 1.26 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3kb3 h GLU 369 CO 0.83 -0.17 -0.36 0.38 -1.18 0.00 0.00 179.01 178.52 3kb3 h ASP 370 N -0.26 0.60 -0.22 1.04 2.03 -1.96 -2.49 116.42 115.15 3kb3 h ASP 370 Ca 0.17 -0.25 -0.20 0.00 -0.73 0.00 0.00 57.03 56.02 3kb3 h ASP 370 Cb 0.57 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 3kb3 h ASP 370 CO -0.64 0.91 -0.64 -0.33 -1.03 0.00 0.00 179.24 177.50 3kb3 h GLU 371 N 0.48 0.82 -0.27 4.15 4.39 -1.27 -1.08 114.58 121.81 3kb3 h GLU 371 Ca 0.05 -0.59 0.06 0.00 0.34 0.00 0.00 59.36 59.22 3kb3 h GLU 371 Cb 0.85 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.52 3kb3 h GLU 371 CO 0.07 1.21 -0.27 -0.92 -1.16 0.00 0.00 179.01 177.95 3kb3 h TYR 372 N 0.58 -0.72 -0.58 4.33 3.20 -0.06 -0.92 116.97 122.80 3kb3 h TYR 372 Ca -0.02 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3kb3 h TYR 372 Cb 1.26 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 3kb3 h TYR 372 CO 0.08 -0.34 0.00 0.00 -1.64 0.00 0.00 178.16 176.26 3kb3 h ALA 373 N 0.75 0.78 -0.46 1.82 0.00 -1.40 -1.84 119.26 118.91 3kb3 h ALA 373 Ca 0.14 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kb3 h ALA 373 Cb 0.49 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3kb3 h ALA 373 CO -0.42 0.61 0.05 -0.09 0.00 0.00 0.00 179.25 179.41 3kb3 h ARG 374 N 0.91 0.17 -0.02 0.00 1.12 -0.84 -0.23 114.38 115.50 3kb3 h ARG 374 Ca 0.16 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.02 3kb3 h ARG 374 Cb 0.55 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.47 3kb3 h ARG 374 CO 0.03 0.11 -0.00 0.82 -3.11 0.00 0.00 179.97 177.82 3kb3 h ILE 375 N 0.18 1.26 0.07 1.20 2.04 -0.93 -1.62 117.51 119.72 3kb3 h ILE 375 Ca 0.23 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3kb3 h ILE 375 Cb 0.32 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3kb3 h ILE 375 CO -0.34 0.21 -0.23 -0.33 0.00 0.00 0.00 178.15 177.46 3kb3 h GLU 376 N -0.29 -0.38 0.00 2.37 5.08 -1.16 0.17 114.58 120.36 3kb3 h GLU 376 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kb3 h GLU 376 Cb 0.34 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kb3 h GLU 376 CO 0.00 -0.26 0.00 0.09 -1.00 0.00 0.00 179.01 177.84 3kb3 n ASN 377 N -5.35 0.59 -0.37 1.42 3.02 -0.11 0.11 115.26 114.56 3kb3 n ASN 377 Ca -0.06 0.75 0.12 0.00 -0.03 0.00 0.00 54.58 55.36 3kb3 n ASN 377 Cb 0.27 -0.84 0.23 0.00 -0.61 0.00 0.00 39.78 38.83 3kb3 n ASN 377 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kb3 n ALA 378 N -1.78 3.23 0.00 5.41 0.00 -0.62 -4.95 120.51 121.79 3kb3 n ALA 378 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3kb3 n ALA 378 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kb3 n ALA 378 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kb3 n GLY 379 N 1.36 0.73 1.52 0.00 0.00 0.30 -4.98 105.19 104.12 3kb3 n GLY 379 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3kb3 n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kb3 n GLY 380 N -1.04 0.06 3.03 -0.02 0.00 -0.02 -4.95 105.19 102.25 3kb3 n GLY 380 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 3kb3 n GLY 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb3 s LYS 381 N -3.68 0.37 -0.10 1.61 -0.14 -1.26 -3.91 119.74 112.63 3kb3 s LYS 381 Ca 0.27 -0.48 0.04 0.00 -1.36 0.00 0.00 55.97 54.44 3kb3 s LYS 381 Cb -0.01 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.28 3kb3 s LYS 381 CO 0.18 -0.08 -0.24 0.08 -0.76 0.00 0.00 175.35 174.54 3kb3 s VAL 382 N -1.34 2.05 0.03 3.17 1.01 -1.26 -0.84 120.40 123.22 3kb3 s VAL 382 Ca -0.14 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.86 3kb3 s VAL 382 Cb -0.08 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3kb3 s VAL 382 CO 0.00 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 3kb3 s ILE 383 N 0.34 0.84 -0.65 2.22 1.01 -0.54 -4.93 121.20 119.49 3kb3 s ILE 383 Ca -0.19 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 3kb3 s ILE 383 Cb -0.18 -0.80 0.10 0.00 0.01 0.00 0.00 42.46 41.59 3kb3 s ILE 383 CO 0.09 -0.09 0.82 -1.58 0.00 0.00 0.00 174.94 174.17 3kb3 s GLN 384 N -1.12 3.13 -0.38 2.79 2.00 -1.26 -1.61 119.66 123.21 3kb3 s GLN 384 Ca -0.02 -1.26 0.02 0.00 -2.00 0.00 0.00 55.36 52.11 3kb3 s GLN 384 Cb -0.08 -4.32 0.15 0.00 0.80 0.00 0.00 33.01 29.57 3kb3 s GLN 384 CO 0.01 -1.63 0.28 -0.46 -0.50 0.00 0.00 175.29 172.98 3kb3 s TRP 385 N 3.00 0.83 -0.78 1.67 -0.11 -1.26 -4.83 118.94 117.46 3kb3 s TRP 385 Ca 0.16 -1.91 -0.01 0.00 1.22 0.00 0.00 56.10 55.57 3kb3 s TRP 385 Cb -0.20 -0.88 -0.01 0.00 -1.50 0.00 0.00 33.47 30.88 3kb3 s TRP 385 CO 0.06 -0.84 0.71 0.94 -4.62 0.00 0.00 176.95 173.20 3kb3 n GLN 386 N 3.50 -1.41 0.00 5.86 7.27 -1.26 -4.81 117.38 126.53 3kb3 n GLN 386 Ca 0.20 1.37 0.00 0.00 0.07 0.00 0.00 57.00 58.64 3kb3 n GLN 386 Cb 0.42 -5.43 0.00 0.00 2.41 0.00 0.00 30.24 27.64 3kb3 n GLN 386 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kb3 n GLY 387 N -1.72 -2.08 3.70 1.69 0.00 -1.26 -4.93 105.19 100.60 3kb3 n GLY 387 Ca -0.04 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3kb3 n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kb3 s ALA 388 N -2.41 3.32 -0.03 4.61 0.00 -1.26 -4.43 121.76 121.55 3kb3 s ALA 388 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 3kb3 s ALA 388 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3kb3 s ALA 388 CO 0.00 -0.44 0.09 1.03 0.00 0.00 0.00 175.76 176.44 3kb3 s ARG 389 N 1.41 0.10 -0.16 0.00 0.52 -0.63 -4.26 118.95 115.93 3kb3 s ARG 389 Ca 0.53 0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 3kb3 s ARG 389 Cb -0.23 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 3kb3 s ARG 389 CO 0.25 -0.01 1.67 0.08 0.02 0.00 0.00 175.30 177.31 3kb3 s VAL 390 N 0.05 3.60 -1.71 3.52 1.01 -0.01 -1.47 120.40 125.40 3kb3 s VAL 390 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3kb3 s VAL 390 Cb -0.01 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3kb3 s VAL 390 CO 0.00 -0.20 0.00 0.49 0.00 0.00 0.00 175.10 175.39 3kb3 n PHE 391 N 8.24 0.00 -0.82 5.22 3.72 -0.02 -1.48 117.46 132.32 3kb3 n PHE 391 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3kb3 n PHE 391 Cb 0.44 -3.02 0.00 0.00 -0.94 0.00 0.00 39.48 35.96 3kb3 n PHE 391 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kb3 n GLY 392 N -0.38 0.80 0.25 1.37 0.00 -0.90 -4.93 105.19 101.40 3kb3 n GLY 392 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3kb3 n GLY 392 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kb3 n VAL 393 N -2.28 0.84 -3.83 1.61 0.31 -0.55 -4.83 118.33 109.60 3kb3 n VAL 393 Ca 0.00 0.28 -0.36 0.00 -0.01 0.00 0.00 64.34 64.25 3kb3 n VAL 393 Cb 0.00 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 3kb3 n VAL 393 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3kb3 s LEU 394 N -6.58 3.83 -0.12 7.52 2.96 -1.17 -4.85 118.68 120.27 3kb3 s LEU 394 Ca -0.13 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3kb3 s LEU 394 Cb 0.02 -2.00 0.18 0.00 0.50 0.00 0.00 46.19 44.89 3kb3 s LEU 394 CO 0.20 0.08 1.21 0.00 -1.32 0.00 0.00 176.35 176.52 3kb3 n ALA 395 N 4.14 3.29 -2.76 5.97 0.00 -1.26 -0.83 120.51 129.06 3kb3 n ALA 395 Ca -0.16 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.43 3kb3 n ALA 395 Cb 0.52 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 3kb3 n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kb3 s MET 396 N -0.95 0.75 -0.00 0.00 0.23 -1.26 -4.63 119.30 113.44 3kb3 s MET 396 Ca 0.15 -0.74 0.22 0.00 -1.03 0.00 0.00 55.69 54.29 3kb3 s MET 396 Cb 0.13 0.31 -0.20 0.00 -1.53 0.00 0.00 34.83 33.54 3kb3 s MET 396 CO 0.03 -0.23 0.84 -1.13 -2.03 0.00 0.00 175.02 172.50 3kb3 n SER 397 N 0.41 0.71 -3.96 -1.18 3.41 -0.58 -4.66 113.62 107.76 3kb3 n SER 397 Ca -0.17 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 3kb3 n SER 397 Cb 0.60 1.18 -0.11 0.00 -0.26 0.00 0.00 64.21 65.62 3kb3 n SER 397 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kb3 s ARG 398 N -3.14 0.38 0.12 4.33 0.52 -1.26 -3.30 118.95 116.60 3kb3 s ARG 398 Ca 0.04 -0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 3kb3 s ARG 398 Cb 0.15 0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.84 3kb3 s ARG 398 CO 0.87 -0.07 0.97 -1.54 0.02 0.00 0.00 175.30 175.54 3kb3 s SER 399 N -1.56 -0.20 -0.16 0.23 1.04 -0.75 -3.74 113.70 108.56 3kb3 s SER 399 Ca -0.14 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 3kb3 s SER 399 Cb -0.08 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3kb3 s SER 399 CO -0.01 -0.82 0.40 -0.63 0.98 0.00 0.00 173.24 173.16 3kb3 s ILE 400 N -3.21 5.22 0.00 -1.02 -1.09 0.06 -3.51 121.20 117.65 3kb3 s ILE 400 Ca 0.11 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 3kb3 s ILE 400 Cb -0.01 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3kb3 s ILE 400 CO 0.00 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 3kb3 n GLY 401 N 3.55 0.72 4.02 6.18 0.00 -1.26 -1.02 105.19 117.38 3kb3 n GLY 401 Ca -0.09 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 3kb3 n GLY 401 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kb3 n ASP 402 N 1.36 -3.80 -0.25 1.61 8.00 -0.52 -4.85 116.55 118.10 3kb3 n ASP 402 Ca 0.00 -0.88 0.12 0.00 0.71 0.00 0.00 54.79 54.74 3kb3 n ASP 402 Cb 0.00 -3.44 0.23 0.00 -0.02 0.00 0.00 41.12 37.88 3kb3 n ASP 402 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kb3 n ARG 403 N -4.54 -0.06 0.28 -1.24 1.74 -1.17 -0.49 116.66 111.17 3kb3 n ARG 403 Ca 0.01 1.06 0.18 0.00 -0.77 0.00 0.00 57.85 58.34 3kb3 n ARG 403 Cb 0.53 -1.70 0.84 0.00 -1.02 0.00 0.00 32.46 31.11 3kb3 n ARG 403 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3kb3 h TYR 404 N 0.00 0.00 -0.64 -1.55 -0.00 -1.89 -1.51 116.97 111.38 3kb3 h TYR 404 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.17 3kb3 h TYR 404 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3kb3 h TYR 404 CO -0.34 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.10 3kb3 n LEU 405 N -2.96 3.49 -4.77 0.10 4.77 0.35 -4.92 117.00 113.06 3kb3 n LEU 405 Ca -0.01 -1.73 -0.41 0.00 -0.03 0.00 0.00 56.01 53.83 3kb3 n LEU 405 Cb 0.21 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3kb3 n LEU 405 CO 0.23 0.87 1.01 -0.75 -1.33 0.00 0.00 177.39 177.42 3kb3 s LYS 406 N -1.15 4.31 -0.38 3.23 2.20 -0.57 -0.80 119.74 126.59 3kb3 s LYS 406 Ca 0.44 2.27 0.07 0.00 -0.36 0.00 0.00 55.97 58.39 3kb3 s LYS 406 Cb 0.23 -3.07 0.71 0.00 -1.51 0.00 0.00 37.83 34.19 3kb3 s LYS 406 CO 0.30 -0.26 1.86 -0.35 -0.36 0.00 0.00 175.35 176.53 3kb3 n PRO 407 N 1.01 3.04 0.05 4.03 -0.04 -1.26 -4.93 135.00 136.90 3kb3 n PRO 407 Ca 0.01 -3.06 -0.21 0.00 -0.04 0.00 0.00 63.50 60.20 3kb3 n PRO 407 Cb 0.41 -2.20 -0.15 0.00 -0.04 0.00 0.00 33.50 31.53 3kb3 n PRO 407 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kb3 h TYR 408 N 1.90 0.56 -3.65 0.54 -1.99 -1.35 -3.42 116.97 109.56 3kb3 h TYR 408 Ca 0.43 -0.41 -0.69 0.00 2.00 0.00 0.00 58.73 60.07 3kb3 h TYR 408 Cb 2.57 -0.02 -0.20 0.00 2.00 0.00 0.00 36.73 41.08 3kb3 h TYR 408 CO 1.43 1.39 -0.47 0.14 -0.00 0.00 0.00 178.16 180.65 3kb3 s VAL 409 N -2.45 5.25 0.24 -2.88 -7.23 -0.59 -4.83 120.40 107.91 3kb3 s VAL 409 Ca -0.15 -0.35 0.08 0.00 -1.81 0.00 0.00 61.98 59.75 3kb3 s VAL 409 Cb 0.02 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3kb3 s VAL 409 CO 0.82 -0.09 0.05 0.27 -0.31 0.00 0.00 175.10 175.84 3kb3 s ILE 410 N 1.71 3.79 -0.45 -0.62 -0.00 -1.21 -4.48 121.20 119.94 3kb3 s ILE 410 Ca 0.06 -1.65 0.10 0.00 -0.00 0.00 0.00 60.65 59.15 3kb3 s ILE 410 Cb -0.18 -3.01 0.60 0.00 -0.00 0.00 0.00 42.46 39.87 3kb3 s ILE 410 CO 0.10 -0.30 1.42 -0.81 -0.00 0.00 0.00 174.94 175.34 3kb3 n PRO 411 N -0.78 3.80 -2.62 0.37 -0.04 -1.23 -1.80 135.00 132.69 3kb3 n PRO 411 Ca -0.08 -2.29 -0.43 0.00 -0.04 0.00 0.00 63.50 60.66 3kb3 n PRO 411 Cb 0.58 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 3kb3 n PRO 411 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kb3 s GLU 412 N -2.29 4.14 0.69 0.54 2.12 -1.26 -4.52 118.70 118.12 3kb3 s GLU 412 Ca 0.40 1.23 -0.11 0.00 0.36 0.00 0.00 54.97 56.84 3kb3 s GLU 412 Cb 0.30 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3kb3 s GLU 412 CO 0.11 -0.80 1.06 -1.25 -0.54 0.00 0.00 175.26 173.84 3kb3 s PRO 413 N 3.51 3.00 -0.15 4.30 0.04 -1.26 -4.85 135.00 139.58 3kb3 s PRO 413 Ca 0.46 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 3kb3 s PRO 413 Cb -0.14 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3kb3 s PRO 413 CO 0.12 -1.03 0.20 -2.00 0.04 0.00 0.00 177.00 174.34 3kb3 s GLU 414 N -5.10 4.01 -0.09 4.56 2.12 -0.08 -4.91 118.70 119.22 3kb3 s GLU 414 Ca 0.58 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.88 3kb3 s GLU 414 Cb -0.13 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.91 3kb3 s GLU 414 CO 0.55 0.42 -0.17 0.08 -0.54 0.00 0.00 175.26 175.60 3kb3 s VAL 415 N -0.04 1.54 -0.04 3.70 1.01 -1.26 -0.50 120.40 124.81 3kb3 s VAL 415 Ca 0.13 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3kb3 s VAL 415 Cb -0.12 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3kb3 s VAL 415 CO 0.02 0.45 -0.23 0.42 0.00 0.00 0.00 175.10 175.76 3kb3 s THR 416 N 0.70 1.86 -0.24 3.92 -4.23 -0.41 -4.90 115.64 112.34 3kb3 s THR 416 Ca -0.13 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3kb3 s THR 416 Cb -0.16 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.12 3kb3 s THR 416 CO 0.03 0.52 -0.04 0.12 -0.54 0.00 0.00 174.62 174.72 3kb3 s PHE 417 N -0.27 3.01 -0.18 3.99 2.19 -1.26 -1.97 117.98 123.49 3kb3 s PHE 417 Ca 0.01 -1.17 -0.02 0.00 0.33 0.00 0.00 56.93 56.08 3kb3 s PHE 417 Cb -0.12 -2.10 0.05 0.00 -1.31 0.00 0.00 43.02 39.54 3kb3 s PHE 417 CO 0.02 -0.62 0.01 1.41 1.83 0.00 0.00 175.22 177.86 3kb3 s MET 418 N 1.42 0.88 0.27 10.12 1.75 -0.53 -5.03 119.30 128.19 3kb3 s MET 418 Ca 0.04 -0.43 -0.29 0.00 -1.25 0.00 0.00 55.69 53.75 3kb3 s MET 418 Cb -0.15 -2.00 -0.09 0.00 2.84 0.00 0.00 34.83 35.43 3kb3 s MET 418 CO -0.03 -0.56 1.15 -1.25 -0.65 0.00 0.00 175.02 173.68 3kb3 s PRO 419 N 1.79 4.56 0.91 4.11 0.04 -1.26 -0.12 135.00 145.03 3kb3 s PRO 419 Ca -0.00 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3kb3 s PRO 419 Cb -0.16 -3.18 0.14 0.00 0.04 0.00 0.00 34.50 31.34 3kb3 s PRO 419 CO -0.07 0.09 1.09 1.03 0.04 0.00 0.00 177.00 179.18 3kb3 s ARG 420 N -1.32 1.13 0.02 4.56 0.52 0.00 -4.88 118.95 118.98 3kb3 s ARG 420 Ca 0.47 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.57 3kb3 s ARG 420 Cb -0.34 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 3kb3 s ARG 420 CO 0.43 -2.36 0.05 0.45 0.02 0.00 0.00 175.30 173.89 3kb3 s SER 421 N -3.26 0.15 0.56 0.23 0.15 -1.26 -5.00 113.70 105.27 3kb3 s SER 421 Ca 0.64 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.19 3kb3 s SER 421 Cb -0.19 0.16 1.66 0.00 -1.71 0.00 0.00 66.02 65.94 3kb3 s SER 421 CO 0.58 -0.36 2.16 0.03 1.20 0.00 0.00 173.24 176.85 3kb3 h ARG 422 N 4.36 0.00 0.00 5.44 3.08 -1.97 -1.97 114.38 123.31 3kb3 h ARG 422 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3kb3 h ARG 422 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kb3 h ARG 422 CO 0.42 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 3kb3 n GLU 423 N -3.68 0.18 -2.51 0.04 -0.58 -1.26 -4.85 120.64 107.98 3kb3 n GLU 423 Ca -0.02 0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 3kb3 n GLU 423 Cb 0.17 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 3kb3 n GLU 423 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kb3 s ASP 424 N -2.76 7.30 -0.13 1.62 1.01 -0.74 -0.15 116.67 122.82 3kb3 s ASP 424 Ca 0.17 2.16 -0.10 0.00 0.71 0.00 0.00 52.55 55.49 3kb3 s ASP 424 Cb 0.15 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 3kb3 s ASP 424 CO 0.37 -0.15 -0.22 -0.62 0.21 0.00 0.00 175.17 174.76 3kb3 n GLU 425 N 1.75 0.35 -3.52 8.23 -0.58 0.04 -3.94 120.64 122.97 3kb3 n GLU 425 Ca 0.01 0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.79 3kb3 n GLU 425 Cb 0.46 -1.09 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 3kb3 n GLU 425 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kb3 s LEU 427 N -2.71 2.37 -0.17 0.00 2.96 -0.21 -0.49 118.68 120.43 3kb3 s LEU 427 Ca 0.04 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3kb3 s LEU 427 Cb -0.02 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3kb3 s LEU 427 CO -0.09 0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.31 3kb3 s ILE 428 N 0.51 2.66 -0.17 6.68 1.01 0.12 -0.82 121.20 131.19 3kb3 s ILE 428 Ca -0.12 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 3kb3 s ILE 428 Cb -0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3kb3 s ILE 428 CO 0.05 0.50 -0.06 -0.76 0.00 0.00 0.00 174.94 174.67 3kb3 s LEU 429 N 1.06 3.01 0.05 2.97 1.43 -0.15 -1.04 118.68 126.02 3kb3 s LEU 429 Ca -0.01 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3kb3 s LEU 429 Cb -0.15 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3kb3 s LEU 429 CO -0.04 0.12 0.32 0.00 0.23 0.00 0.00 176.35 176.97 3kb3 s ALA 430 N 0.66 -0.71 0.76 4.21 0.00 -0.80 0.03 121.76 125.92 3kb3 s ALA 430 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3kb3 s ALA 430 Cb -0.15 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.39 3kb3 s ALA 430 CO 0.02 -0.45 1.09 -1.54 0.00 0.00 0.00 175.76 174.88 3kb3 s SER 431 N -2.18 4.81 0.00 0.00 1.04 0.04 -2.04 113.70 115.36 3kb3 s SER 431 Ca -0.04 1.37 0.15 0.00 0.48 0.00 0.00 55.95 57.92 3kb3 s SER 431 Cb -0.00 -2.15 0.78 0.00 0.10 0.00 0.00 66.02 64.75 3kb3 s SER 431 CO -0.05 -1.78 1.43 -0.90 0.98 0.00 0.00 173.24 172.92 3kb3 n ASP 432 N -3.32 0.00 0.12 7.02 5.68 -1.26 -1.29 116.55 123.51 3kb3 n ASP 432 Ca 0.07 0.05 0.16 0.00 -0.50 0.00 0.00 54.79 54.57 3kb3 n ASP 432 Cb 0.56 -0.28 0.71 0.00 -1.14 0.00 0.00 41.12 40.97 3kb3 n ASP 432 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3kb3 h GLY 433 N 2.53 0.00 0.00 6.12 0.00 -1.92 -1.17 103.07 108.63 3kb3 h GLY 433 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3kb3 h GLY 433 CO 0.00 0.00 -1.16 -0.10 0.00 0.00 0.00 176.54 175.28 3kb3 n LEU 434 N -4.29 1.86 0.27 3.11 -0.00 -0.41 -4.52 117.00 113.02 3kb3 n LEU 434 Ca 0.04 0.48 0.13 0.00 -0.00 0.00 0.00 56.01 56.66 3kb3 n LEU 434 Cb 0.40 -0.91 0.82 0.00 -0.00 0.00 0.00 43.42 43.73 3kb3 n LEU 434 CO 0.34 0.04 1.11 -0.50 -0.00 0.00 0.00 177.39 178.38 3kb3 h TRP 435 N -1.00 0.00 0.00 1.96 4.06 -1.49 -2.02 115.95 117.46 3kb3 h TRP 435 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 3kb3 h TRP 435 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3kb3 h TRP 435 CO -0.05 0.00 0.00 -0.44 -3.56 0.00 0.00 178.44 174.39 3kb3 h ASP 436 N 0.00 0.00 -0.00 -3.49 3.45 -1.45 -3.20 116.42 111.73 3kb3 h ASP 436 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3kb3 h ASP 436 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3kb3 h ASP 436 CO -0.00 0.00 -0.01 1.33 -1.57 0.00 0.00 179.24 178.99 3kb3 n VAL 437 N -2.65 0.00 -3.81 -1.35 0.24 -0.80 -5.03 118.33 104.93 3kb3 n VAL 437 Ca 0.01 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 3kb3 n VAL 437 Cb 0.23 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.49 3kb3 n VAL 437 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3kb3 s MET 438 N -0.46 0.23 0.55 7.34 -1.94 -0.97 -5.03 119.30 119.02 3kb3 s MET 438 Ca 0.01 0.20 -0.06 0.00 -1.71 0.00 0.00 55.69 54.13 3kb3 s MET 438 Cb 0.01 0.11 -0.01 0.00 2.01 0.00 0.00 34.83 36.94 3kb3 s MET 438 CO 0.01 -0.03 0.86 0.54 -0.01 0.00 0.00 175.02 176.39 3kb3 s ASN 439 N -0.01 5.91 0.20 3.03 4.22 -1.26 -4.41 114.94 122.63 3kb3 s ASN 439 Ca -0.01 0.84 -0.10 0.00 -2.14 0.00 0.00 52.86 51.45 3kb3 s ASN 439 Cb -0.02 -1.98 0.25 0.00 1.28 0.00 0.00 41.25 40.78 3kb3 s ASN 439 CO 0.00 -0.85 1.76 0.78 -2.04 0.00 0.00 177.10 176.76 3kb3 h ASN 440 N -0.01 0.28 -0.22 3.54 2.35 -1.99 -1.67 115.58 117.86 3kb3 h ASN 440 Ca -0.46 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.31 3kb3 h ASN 440 Cb 1.23 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3kb3 h ASN 440 CO 0.61 0.17 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.92 3kb3 h GLN 441 N 0.45 0.42 -0.24 0.81 5.75 -1.94 -2.60 115.11 117.75 3kb3 h GLN 441 Ca 0.29 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 3kb3 h GLN 441 Cb 0.32 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3kb3 h GLN 441 CO -0.27 0.63 -0.33 1.05 -2.65 0.00 0.00 178.83 177.26 3kb3 h GLU 442 N 0.16 0.52 -0.35 1.69 4.11 -1.91 -2.14 114.58 116.66 3kb3 h GLU 442 Ca 0.06 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.25 3kb3 h GLU 442 Cb 0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kb3 h GLU 442 CO 0.02 0.78 0.17 0.28 0.07 0.00 0.00 179.01 180.33 3kb3 h VAL 443 N 0.44 1.16 0.01 -1.06 2.07 -1.19 0.82 116.25 118.51 3kb3 h VAL 443 Ca 0.05 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3kb3 h VAL 443 Cb 0.79 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3kb3 h VAL 443 CO 0.06 0.17 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 3kb3 h GLU 445 N -0.37 0.23 -0.39 0.00 5.08 -1.37 0.94 114.58 118.70 3kb3 h GLU 445 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kb3 h GLU 445 Cb 0.35 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3kb3 h GLU 445 CO 0.00 0.15 0.24 0.82 -1.00 0.00 0.00 179.01 179.22 3kb3 h ILE 446 N 0.23 1.12 0.52 3.13 5.03 -0.78 0.18 117.51 126.94 3kb3 h ILE 446 Ca 0.33 -0.27 -0.03 0.00 -0.12 0.00 0.00 64.86 64.77 3kb3 h ILE 446 Cb 0.51 0.60 0.01 0.00 -3.03 0.00 0.00 36.82 34.91 3kb3 h ILE 446 CO -0.44 0.12 -0.25 0.00 -0.68 0.00 0.00 178.15 176.90 3kb3 h ALA 447 N 1.11 -0.70 -0.40 1.87 0.00 -0.31 -0.29 119.26 120.54 3kb3 h ALA 447 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kb3 h ALA 447 Cb -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3kb3 h ALA 447 CO -0.03 -0.84 0.06 -0.09 0.00 0.00 0.00 179.25 178.35 3kb3 h ARG 448 N -0.80 0.18 -0.70 0.00 2.43 -0.80 -1.52 114.38 113.16 3kb3 h ARG 448 Ca -0.07 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3kb3 h ARG 448 Cb 0.58 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 3kb3 h ARG 448 CO 0.12 0.12 0.36 -0.09 -1.51 0.00 0.00 179.97 178.97 3kb3 h ARG 449 N 0.18 0.61 -0.16 0.20 2.43 -0.35 -1.24 114.38 116.06 3kb3 h ARG 449 Ca 0.19 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3kb3 h ARG 449 Cb 0.25 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3kb3 h ARG 449 CO -0.27 0.41 -0.54 -0.09 -1.51 0.00 0.00 179.97 177.96 3kb3 h ARG 450 N 0.63 0.47 0.56 0.20 1.12 -0.67 -0.48 114.38 116.22 3kb3 h ARG 450 Ca 0.34 -0.29 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 3kb3 h ARG 450 Cb 0.32 0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.31 3kb3 h ARG 450 CO -0.24 0.89 -0.27 0.82 -3.11 0.00 0.00 179.97 178.06 3kb3 h ILE 451 N 0.37 0.44 -0.32 1.20 2.04 -0.73 -1.71 117.51 118.80 3kb3 h ILE 451 Ca 0.01 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3kb3 h ILE 451 Cb 1.06 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 3kb3 h ILE 451 CO 0.10 0.01 -0.09 -0.07 0.00 0.00 0.00 178.15 178.10 3kb3 h LEU 452 N -0.78 -0.32 -1.00 1.44 3.38 -0.91 -0.30 115.31 116.82 3kb3 h LEU 452 Ca -0.08 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.16 3kb3 h LEU 452 Cb 0.59 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3kb3 h LEU 452 CO 0.13 -0.12 0.61 0.24 0.09 0.00 0.00 178.44 179.39 3kb3 h MET 453 N -0.01 0.81 -0.54 1.13 2.86 -1.05 0.40 114.93 118.53 3kb3 h MET 453 Ca 0.15 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 3kb3 h MET 453 Cb 0.25 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3kb3 h MET 453 CO -0.34 0.54 -0.10 2.35 1.06 0.00 0.00 176.91 180.42 3kb3 h TRP 454 N 0.84 1.12 -0.17 -0.22 7.01 -0.31 -2.57 115.95 121.65 3kb3 h TRP 454 Ca 0.55 -0.23 -0.06 0.00 2.11 0.00 0.00 58.89 61.26 3kb3 h TRP 454 Cb 0.76 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.50 3kb3 h TRP 454 CO -0.01 1.04 0.08 0.72 -2.79 0.00 0.00 178.44 177.48 3kb3 n HIS 455 N -4.15 0.57 -0.00 2.65 8.25 0.03 -1.48 115.22 121.09 3kb3 n HIS 455 Ca 0.02 -0.50 -0.00 0.00 -0.26 0.00 0.00 57.72 56.97 3kb3 n HIS 455 Cb 0.40 -0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 3kb3 n HIS 455 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3kb3 n LYS 456 N 0.14 0.01 0.09 -0.41 0.00 -0.63 -4.60 118.16 112.75 3kb3 n LYS 456 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.19 3kb3 n LYS 456 Cb 0.62 -0.93 -0.14 0.00 0.00 0.00 0.00 35.03 34.58 3kb3 n LYS 456 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3kb3 h LYS 457 N -0.00 0.50 0.00 1.64 1.57 -1.49 -3.45 116.57 115.34 3kb3 h LYS 457 Ca -0.01 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 3kb3 h LYS 457 Cb 1.01 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3kb3 h LYS 457 CO -0.00 1.33 -0.31 0.09 -0.57 0.00 0.00 179.45 179.99 3kb3 n ASN 458 N -3.91 0.71 0.00 0.86 3.02 -0.55 -5.04 115.26 110.34 3kb3 n ASN 458 Ca -0.14 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3kb3 n ASN 458 Cb 0.94 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3kb3 n ASN 458 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kb3 n GLY 459 N 1.97 2.97 0.00 7.41 0.00 -1.24 -5.00 105.19 111.31 3kb3 n GLY 459 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3kb3 n GLY 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kb3 n ALA 460 N 0.00 0.00 -0.88 4.61 0.00 -1.26 -5.01 120.51 117.97 3kb3 n ALA 460 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3kb3 n ALA 460 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 3kb3 n ALA 460 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kb3 s PRO 461 N 0.00 -1.87 0.79 0.00 0.04 -1.26 -5.06 135.00 127.65 3kb3 s PRO 461 Ca 0.00 -0.08 -0.11 0.00 0.04 0.00 0.00 61.00 60.85 3kb3 s PRO 461 Cb 0.00 -1.52 0.07 0.00 0.04 0.00 0.00 34.50 33.09 3kb3 s PRO 461 CO 0.00 -4.14 1.10 -1.25 0.04 0.00 0.00 177.00 172.75 3kb3 s PRO 462 N -5.37 2.12 0.00 0.56 0.04 -1.26 -4.95 135.00 126.14 3kb3 s PRO 462 Ca 0.71 0.61 0.17 0.00 0.04 0.00 0.00 61.00 62.53 3kb3 s PRO 462 Cb -0.09 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.37 3kb3 s PRO 462 CO 0.56 -1.59 1.51 -0.11 0.04 0.00 0.00 177.00 177.42 3kb3 n LEU 463 N -3.41 0.00 -0.31 -3.56 7.94 -1.26 -2.95 117.00 113.46 3kb3 n LEU 463 Ca 0.07 0.31 0.04 0.00 -1.11 0.00 0.00 56.01 55.32 3kb3 n LEU 463 Cb 0.56 -0.31 0.19 0.00 0.53 0.00 0.00 43.42 44.40 3kb3 n LEU 463 CO 0.57 -0.13 1.16 0.00 -1.11 0.00 0.00 177.39 177.87 3kb3 h ALA 464 N 2.79 1.27 0.00 1.96 0.00 -2.07 -2.97 119.26 120.23 3kb3 h ALA 464 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 3kb3 h ALA 464 Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3kb3 h ALA 464 CO 0.00 0.10 -2.27 0.39 0.00 0.00 0.00 179.25 177.47 3kb3 n GLU 465 N -4.73 0.73 -1.62 0.00 1.02 -1.22 -5.02 120.64 109.80 3kb3 n GLU 465 Ca 0.15 -0.05 -0.47 0.00 -0.02 0.00 0.00 57.16 56.77 3kb3 n GLU 465 Cb 0.32 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 3kb3 n GLU 465 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3kb3 n ARG 466 N -2.62 2.07 0.00 3.49 0.63 -1.13 -2.40 116.66 116.70 3kb3 n ARG 466 Ca -0.26 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3kb3 n ARG 466 Cb 1.01 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 31.10 3kb3 n ARG 466 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kb3 n GLY 467 N 5.09 1.13 0.01 5.14 0.00 -1.25 -4.90 105.19 110.40 3kb3 n GLY 467 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 3kb3 n GLY 467 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kb3 n LYS 468 N -1.30 0.47 -2.82 1.61 3.00 -1.01 -4.56 118.16 113.56 3kb3 n LYS 468 Ca 0.00 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.31 58.10 3kb3 n LYS 468 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 3kb3 n LYS 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kb3 n GLY 469 N 1.89 3.76 3.71 3.14 0.00 -1.24 -5.01 105.19 111.44 3kb3 n GLY 469 Ca -0.03 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 3kb3 n GLY 469 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kb3 n ILE 470 N -0.55 4.38 -3.07 -0.61 -5.35 -1.26 -4.74 119.36 108.15 3kb3 n ILE 470 Ca -0.06 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.51 3kb3 n ILE 470 Cb 0.23 -1.47 -0.06 0.00 -1.74 0.00 0.00 39.64 36.60 3kb3 n ILE 470 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kb3 s ASP 471 N -1.21 6.67 0.34 7.28 3.68 0.13 -4.93 116.67 128.64 3kb3 s ASP 471 Ca 0.78 0.82 0.05 0.00 2.13 0.00 0.00 52.55 56.33 3kb3 s ASP 471 Cb -0.40 -2.36 0.68 0.00 -1.45 0.00 0.00 42.92 39.39 3kb3 s ASP 471 CO 0.44 -0.36 1.94 1.55 0.13 0.00 0.00 175.17 178.87 3kb3 h PRO 472 N 7.69 0.81 -0.12 4.34 0.13 -1.94 -0.22 132.00 142.70 3kb3 h PRO 472 Ca -0.28 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 3kb3 h PRO 472 Cb 1.13 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3kb3 h PRO 472 CO 0.79 0.53 -0.04 0.00 -0.23 0.00 0.00 178.00 179.06 3kb3 h ALA 473 N 1.58 0.16 -0.90 -0.56 0.00 -1.93 -1.11 119.26 116.50 3kb3 h ALA 473 Ca 0.35 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3kb3 h ALA 473 Cb 0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3kb3 h ALA 473 CO -0.13 -0.08 0.53 0.00 0.00 0.00 0.00 179.25 179.58 3kb3 h GLN 475 N 0.85 0.10 -0.73 0.00 5.75 -0.69 0.12 115.11 120.52 3kb3 h GLN 475 Ca 0.45 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.98 3kb3 h GLN 475 Cb 0.46 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3kb3 h GLN 475 CO -0.27 0.07 0.45 0.00 -2.65 0.00 0.00 178.83 176.43 3kb3 h ALA 476 N 1.03 0.96 -0.74 3.38 0.00 -0.89 0.43 119.26 123.43 3kb3 h ALA 476 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kb3 h ALA 476 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kb3 h ALA 476 CO -0.01 0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.73 3kb3 h ALA 477 N 1.32 1.08 -0.21 0.00 0.00 -0.81 -0.86 119.26 119.78 3kb3 h ALA 477 Ca 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kb3 h ALA 477 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kb3 h ALA 477 CO -0.12 0.64 0.12 0.00 0.00 0.00 0.00 179.25 179.89 3kb3 h ALA 478 N 1.21 0.26 0.05 0.00 0.00 -0.12 -1.41 119.26 119.26 3kb3 h ALA 478 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kb3 h ALA 478 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kb3 h ALA 478 CO -0.02 -0.22 -0.02 -0.44 0.00 0.00 0.00 179.25 178.54 3kb3 h ASP 479 N 0.25 -0.06 -0.18 0.00 3.32 -0.78 -1.28 116.42 117.68 3kb3 h ASP 479 Ca 0.07 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3kb3 h ASP 479 Cb 0.03 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3kb3 h ASP 479 CO -0.01 0.00 -0.04 0.22 -1.72 0.00 0.00 179.24 177.69 3kb3 h TYR 480 N -0.12 -0.08 -0.88 4.55 5.03 -1.14 0.14 116.97 124.48 3kb3 h TYR 480 Ca -0.01 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.41 3kb3 h TYR 480 Cb 0.10 0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.37 3kb3 h TYR 480 CO -0.06 -0.07 0.52 -0.07 -1.32 0.00 0.00 178.16 177.17 3kb3 h LEU 481 N 0.01 0.78 -0.41 2.82 3.38 -1.16 0.38 115.31 121.10 3kb3 h LEU 481 Ca 0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kb3 h LEU 481 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kb3 h LEU 481 CO -0.18 0.45 0.09 0.77 0.09 0.00 0.00 178.44 179.66 3kb3 h SER 482 N 0.89 0.63 -0.46 -0.43 4.64 -0.76 -0.56 113.55 117.51 3kb3 h SER 482 Ca 0.41 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3kb3 h SER 482 Cb 0.33 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3kb3 h SER 482 CO -0.23 0.71 0.30 0.24 -0.87 0.00 0.00 176.83 176.98 3kb3 h MET 483 N 0.53 0.61 -0.52 4.77 2.86 0.04 -1.34 114.93 121.88 3kb3 h MET 483 Ca 0.13 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3kb3 h MET 483 Cb 0.33 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3kb3 h MET 483 CO 0.00 0.40 0.28 1.25 1.06 0.00 0.00 176.91 179.91 3kb3 h LEU 484 N 0.62 0.41 -0.76 1.22 5.85 -0.14 -0.58 115.31 121.92 3kb3 h LEU 484 Ca 0.17 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kb3 h LEU 484 Cb -0.07 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3kb3 h LEU 484 CO -0.04 0.28 0.50 0.00 -0.34 0.00 0.00 178.44 178.85 3kb3 h ALA 485 N 1.27 0.97 -0.24 1.25 0.00 -0.61 -0.53 119.26 121.35 3kb3 h ALA 485 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kb3 h ALA 485 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kb3 h ALA 485 CO -0.14 0.39 0.10 -0.07 0.00 0.00 0.00 179.25 179.52 3kb3 h LEU 486 N 1.03 0.33 -1.20 0.00 3.38 -0.66 -2.12 115.31 116.08 3kb3 h LEU 486 Ca 0.28 -0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.31 3kb3 h LEU 486 Cb -0.12 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.45 3kb3 h LEU 486 CO -0.06 0.40 0.62 1.56 0.09 0.00 0.00 178.44 181.06 3kb3 h GLN 487 N 0.24 0.56 -0.09 1.13 4.20 -0.61 -0.81 115.11 119.73 3kb3 h GLN 487 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3kb3 h GLN 487 Cb 0.17 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3kb3 h GLN 487 CO -0.01 0.37 0.00 1.63 -0.67 0.00 0.00 178.83 180.15 3kb3 n LYS 488 N -4.69 1.31 -1.35 1.46 5.02 -0.25 -4.89 118.16 114.77 3kb3 n LYS 488 Ca 0.24 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3kb3 n LYS 488 Cb 0.70 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3kb3 n LYS 488 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kb3 n GLY 489 N 0.87 0.99 3.73 0.72 0.00 -0.31 -5.01 105.19 106.18 3kb3 n GLY 489 Ca 0.12 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3kb3 n GLY 489 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kb3 s SER 490 N -2.62 6.58 -0.43 1.61 0.15 -0.82 -4.91 113.70 113.26 3kb3 s SER 490 Ca 0.00 2.68 0.04 0.00 0.70 0.00 0.00 55.95 59.38 3kb3 s SER 490 Cb 0.00 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.27 3kb3 s SER 490 CO 0.00 -0.80 1.76 2.29 1.20 0.00 0.00 173.24 177.69 3kb3 n LYS 491 N 3.21 2.29 -4.27 5.44 2.85 -1.26 -4.66 118.16 121.75 3kb3 n LYS 491 Ca 0.11 -3.19 -0.16 0.00 -1.05 0.00 0.00 58.31 54.02 3kb3 n LYS 491 Cb 0.39 -2.10 -0.10 0.00 -0.65 0.00 0.00 35.03 32.57 3kb3 n LYS 491 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3kb3 s ASP 492 N -1.92 0.95 0.57 -5.58 -1.08 -1.26 -4.67 116.67 103.68 3kb3 s ASP 492 Ca 0.54 -1.49 -0.20 0.00 -0.52 0.00 0.00 52.55 50.89 3kb3 s ASP 492 Cb 0.46 0.37 -0.04 0.00 -1.46 0.00 0.00 42.92 42.24 3kb3 s ASP 492 CO 0.05 -0.86 1.23 0.20 0.52 0.00 0.00 175.17 176.31 3kb3 s ASN 493 N -3.28 5.32 -0.13 -0.34 0.02 -1.24 -4.35 114.94 110.95 3kb3 s ASN 493 Ca 0.38 2.46 -0.00 0.00 -1.02 0.00 0.00 52.86 54.68 3kb3 s ASN 493 Cb 0.06 -2.61 0.03 0.00 0.02 0.00 0.00 41.25 38.75 3kb3 s ASN 493 CO 0.16 -1.51 -0.09 -0.63 0.02 0.00 0.00 177.10 175.05 3kb3 s ILE 494 N -1.52 1.20 -0.06 0.60 1.01 -0.07 -3.91 121.20 118.44 3kb3 s ILE 494 Ca 0.75 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3kb3 s ILE 494 Cb -0.32 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3kb3 s ILE 494 CO 0.36 0.38 -0.12 -0.44 0.00 0.00 0.00 174.94 175.12 3kb3 s SER 495 N 1.64 1.73 -0.09 3.58 0.01 -1.26 -0.52 113.70 118.79 3kb3 s SER 495 Ca 0.05 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 3kb3 s SER 495 Cb -0.13 -0.78 0.04 0.00 0.21 0.00 0.00 66.02 65.36 3kb3 s SER 495 CO -0.09 0.04 0.21 -0.63 0.41 0.00 0.00 173.24 173.18 3kb3 s ILE 496 N 0.62 -0.03 -0.12 1.44 1.01 -0.51 -0.78 121.20 122.84 3kb3 s ILE 496 Ca -0.14 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3kb3 s ILE 496 Cb -0.15 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3kb3 s ILE 496 CO 0.03 0.04 -0.18 -0.63 0.00 0.00 0.00 174.94 174.20 3kb3 s ILE 497 N 0.83 1.74 -0.18 2.92 -1.09 0.10 -1.02 121.20 124.50 3kb3 s ILE 497 Ca -0.06 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3kb3 s ILE 497 Cb -0.07 -1.56 -0.02 0.00 -1.58 0.00 0.00 42.46 39.23 3kb3 s ILE 497 CO -0.05 0.49 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.42 3kb3 s VAL 498 N 0.86 3.69 -0.14 2.92 1.01 -0.59 -0.97 120.40 127.18 3kb3 s VAL 498 Ca -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3kb3 s VAL 498 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3kb3 s VAL 498 CO -0.01 0.46 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 3kb3 s ILE 499 N 0.82 2.04 -0.24 2.22 1.09 0.00 -0.82 121.20 126.30 3kb3 s ILE 499 Ca -0.01 -0.96 -0.21 0.00 -1.10 0.00 0.00 60.65 58.36 3kb3 s ILE 499 Cb -0.15 -1.81 -0.02 0.00 -1.06 0.00 0.00 42.46 39.43 3kb3 s ILE 499 CO 0.02 0.54 0.67 -0.62 -0.10 0.00 0.00 174.94 175.45 3kb3 s ASP 500 N 0.86 6.65 0.00 3.58 -1.08 0.01 -1.04 116.67 125.66 3kb3 s ASP 500 Ca -0.06 0.80 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 3kb3 s ASP 500 Cb -0.15 -2.36 0.10 0.00 -1.46 0.00 0.00 42.92 39.05 3kb3 s ASP 500 CO -0.03 -0.38 1.13 0.18 0.52 0.00 0.00 175.17 176.59 3kb3 n LEU 501 N 5.66 1.03 -4.69 -1.34 4.77 -0.42 -4.50 117.00 117.50 3kb3 n LEU 501 Ca 0.01 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 3kb3 n LEU 501 Cb 0.49 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3kb3 n LEU 501 CO 0.44 0.23 0.86 -0.75 -1.33 0.00 0.00 177.39 176.84 3kb3 s LYS 502 N -2.87 4.41 0.29 3.23 2.47 -1.24 -4.89 119.74 121.14 3kb3 s LYS 502 Ca 0.12 1.56 0.03 0.00 -1.56 0.00 0.00 55.97 56.11 3kb3 s LYS 502 Cb 0.17 -3.52 0.71 0.00 -1.46 0.00 0.00 37.83 33.73 3kb3 s LYS 502 CO 0.74 -0.33 1.67 0.00 0.16 0.00 0.00 175.35 177.59 3kb3 h ALA 503 N 7.18 1.33 -2.74 3.13 0.00 -1.91 -3.44 119.26 122.82 3kb3 h ALA 503 Ca -0.35 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kb3 h ALA 503 Cb 1.17 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 3kb3 h ALA 503 CO 0.85 -0.41 0.09 1.14 0.00 0.00 0.00 179.25 180.92 3kb3 s GLN 504 N -5.91 1.14 -0.02 0.00 1.03 -1.26 -5.12 119.66 109.51 3kb3 s GLN 504 Ca -0.12 -0.42 -0.03 0.00 0.04 0.00 0.00 55.36 54.83 3kb3 s GLN 504 Cb 0.25 0.52 0.00 0.00 0.03 0.00 0.00 33.01 33.82 3kb3 s GLN 504 CO 0.77 -0.46 0.08 1.03 -2.54 0.00 0.00 175.29 174.18 3kb3 s ARG 505 N -3.24 0.18 0.00 9.60 0.52 -1.26 -5.18 118.95 119.57 3kb3 s ARG 505 Ca -0.01 -0.03 0.31 0.00 -0.52 0.00 0.00 55.73 55.48 3kb3 s ARG 505 Cb -0.00 0.08 1.75 0.00 0.52 0.00 0.00 34.95 37.29 3kb3 s ARG 505 CO -0.08 -0.03 2.14 1.63 0.02 0.00 0.00 175.30 178.98