#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3t s VAL 212 N 0.00 0.04 0.16 3.57 0.11 -1.26 -5.00 120.40 118.01 3i3t s VAL 212 Ca 0.00 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3i3t s VAL 212 Cb 0.00 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3i3t s VAL 212 CO 0.00 -0.18 0.16 0.61 -3.33 0.00 0.00 175.10 172.36 3i3t n GLY 213 N 0.91 2.57 3.30 6.54 0.00 -1.26 -4.90 105.19 112.35 3i3t n GLY 213 Ca -0.20 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 3i3t n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3t s LEU 214 N 0.00 2.11 0.37 0.99 1.43 -0.84 0.13 118.68 122.88 3i3t s LEU 214 Ca 0.12 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 3i3t s LEU 214 Cb -0.01 -1.23 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 3i3t s LEU 214 CO 0.08 0.27 1.18 -0.13 0.23 0.00 0.00 176.35 177.97 3i3t s ARG 215 N -0.91 4.18 0.12 1.70 1.81 -0.42 -1.03 118.95 124.40 3i3t s ARG 215 Ca 0.10 1.90 -0.18 0.00 -1.72 0.00 0.00 55.73 55.83 3i3t s ARG 215 Cb -0.10 -2.81 -0.07 0.00 -0.45 0.00 0.00 34.95 31.53 3i3t s ARG 215 CO 0.01 -0.23 0.59 1.21 -0.68 0.00 0.00 175.30 176.20 3i3t s ASN 216 N -0.99 7.00 -0.05 0.23 3.04 -1.26 -4.73 114.94 118.18 3i3t s ASN 216 Ca 0.54 1.24 0.07 0.00 0.04 0.00 0.00 52.86 54.74 3i3t s ASN 216 Cb -0.32 -2.35 0.10 0.00 -1.54 0.00 0.00 41.25 37.14 3i3t s ASN 216 CO 0.41 0.19 0.97 0.18 -3.04 0.00 0.00 177.10 175.82 3i3t n LEU 217 N 1.32 1.31 0.00 3.21 4.77 -1.26 -4.97 117.00 121.38 3i3t n LEU 217 Ca -0.08 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 3i3t n LEU 217 Cb 0.51 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3i3t n LEU 217 CO 0.42 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3i3t n GLY 218 N -0.63 0.83 2.35 -0.72 0.00 -1.26 -4.85 105.19 100.92 3i3t n GLY 218 Ca 0.06 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 3i3t n GLY 218 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3t n ASN 219 N 0.00 -4.66 -1.34 1.61 5.03 -1.26 -4.74 115.26 109.89 3i3t n ASN 219 Ca 0.00 0.15 0.04 0.00 0.87 0.00 0.00 54.58 55.64 3i3t n ASN 219 Cb 0.00 -3.67 0.24 0.00 -1.02 0.00 0.00 39.78 35.33 3i3t n ASN 219 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3i3t n THR 220 N -3.40 1.67 0.11 3.41 -2.24 -1.26 -4.44 114.28 108.13 3i3t n THR 220 Ca -0.17 -0.84 0.03 0.00 -2.27 0.00 0.00 64.05 60.80 3i3t n THR 220 Cb 0.58 -0.37 0.42 0.00 -2.10 0.00 0.00 70.33 68.85 3i3t n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3t h PHE 222 N 0.26 0.00 0.09 0.00 -5.15 -1.86 0.47 116.94 110.75 3i3t h PHE 222 Ca 0.06 0.00 -0.34 0.00 -0.20 0.00 0.00 57.97 57.49 3i3t h PHE 222 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.41 3i3t h PHE 222 CO 0.00 0.00 -1.90 -0.11 -2.00 0.00 0.00 178.31 174.31 3i3t n LEU 223 N -3.86 2.49 -0.03 2.10 0.00 -0.15 -3.35 117.00 114.20 3i3t n LEU 223 Ca -0.02 0.23 -0.08 0.00 0.00 0.00 0.00 56.01 56.14 3i3t n LEU 223 Cb 0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 43.42 42.45 3i3t n LEU 223 CO 0.28 0.74 0.74 0.78 0.00 0.00 0.00 177.39 179.93 3i3t h ASN 224 N -0.17 -0.56 -0.40 1.96 2.35 -0.16 -2.12 115.58 116.48 3i3t h ASN 224 Ca -0.43 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 3i3t h ASN 224 Cb 1.87 0.27 -0.02 0.00 0.05 0.00 0.00 38.32 40.49 3i3t h ASN 224 CO 0.00 -0.22 0.11 0.00 -1.65 0.00 0.00 177.43 175.68 3i3t h ALA 225 N 0.90 1.31 0.03 -0.83 0.00 -0.25 -2.57 119.26 117.85 3i3t h ALA 225 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i3t h ALA 225 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i3t h ALA 225 CO -0.31 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 3i3t h VAL 226 N 0.69 1.36 -0.78 0.00 2.07 -1.54 -3.03 116.25 115.02 3i3t h VAL 226 Ca 0.16 -1.32 0.18 0.00 0.82 0.00 0.00 66.70 66.53 3i3t h VAL 226 Cb 0.26 2.23 -0.12 0.00 -1.52 0.00 0.00 31.29 32.14 3i3t h VAL 226 CO -0.00 0.33 0.20 -0.07 0.02 0.00 0.00 177.57 178.05 3i3t h LEU 227 N -0.63 0.02 -1.01 2.57 4.07 -1.22 0.61 115.31 119.72 3i3t h LEU 227 Ca -0.00 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.20 3i3t h LEU 227 Cb 0.58 0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.46 3i3t h LEU 227 CO 0.01 -0.06 0.65 1.56 -1.08 0.00 0.00 178.44 179.51 3i3t h GLN 228 N 0.26 1.10 -0.07 1.13 1.08 -1.49 0.65 115.11 117.76 3i3t h GLN 228 Ca 0.45 -0.07 -0.22 0.00 -1.45 0.00 0.00 58.65 57.36 3i3t h GLN 228 Cb 0.81 -0.25 0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3i3t h GLN 228 CO -0.55 0.72 -0.85 0.00 -0.95 0.00 0.00 178.83 177.21 3i3t h LEU 230 N 0.39 0.88 -1.77 0.00 3.38 -0.56 -2.78 115.31 114.85 3i3t h LEU 230 Ca -0.07 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3i3t h LEU 230 Cb 1.47 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3i3t h LEU 230 CO 0.16 1.18 -0.16 -1.28 0.09 0.00 0.00 178.44 178.43 3i3t h SER 231 N 0.61 0.00 0.58 -0.43 0.87 0.44 -0.46 113.55 115.16 3i3t h SER 231 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3i3t h SER 231 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3i3t h SER 231 CO 0.09 0.16 -0.01 -1.20 -0.53 0.00 0.00 176.83 175.33 3i3t n SER 232 N -3.81 0.04 -4.43 6.23 7.64 -0.19 -4.57 113.62 114.53 3i3t n SER 232 Ca -0.02 -0.14 -0.44 0.00 1.01 0.00 0.00 58.87 59.29 3i3t n SER 232 Cb 0.26 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 3i3t n SER 232 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i3t s THR 233 N -2.60 4.69 0.16 0.44 2.01 -0.18 -4.96 115.64 115.20 3i3t s THR 233 Ca 0.28 -1.23 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 3i3t s THR 233 Cb 0.20 -4.69 0.04 0.00 0.01 0.00 0.00 72.50 68.06 3i3t s THR 233 CO 0.47 -1.41 1.76 0.03 -0.69 0.00 0.00 174.62 174.78 3i3t h ARG 234 N 9.02 0.31 -0.03 4.92 3.08 -1.83 0.90 114.38 130.75 3i3t h ARG 234 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3i3t h ARG 234 Cb 1.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3i3t h ARG 234 CO 1.10 0.20 -0.15 -1.00 -1.07 0.00 0.00 179.97 179.06 3i3t h PRO 235 N 0.32 0.04 -0.09 0.04 0.13 -1.96 -1.11 132.00 129.37 3i3t h PRO 235 Ca 0.18 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 3i3t h PRO 235 Cb 0.14 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.28 3i3t h PRO 235 CO -0.17 0.19 -0.63 1.25 -0.23 0.00 0.00 178.00 178.41 3i3t h LEU 236 N 0.04 0.72 0.28 1.56 5.85 -1.50 -2.10 115.31 120.16 3i3t h LEU 236 Ca 0.01 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3i3t h LEU 236 Cb 0.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3i3t h LEU 236 CO 0.02 1.27 -0.30 -0.09 -0.34 0.00 0.00 178.44 179.00 3i3t h ARG 237 N 0.22 -0.59 -0.06 1.25 2.43 -0.51 -1.23 114.38 115.89 3i3t h ARG 237 Ca -0.05 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3i3t h ARG 237 Cb 1.28 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.91 3i3t h ARG 237 CO 0.13 -0.39 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.44 3i3t h ASP 238 N -0.61 -0.98 -0.86 -3.80 3.32 -1.28 0.42 116.42 112.64 3i3t h ASP 238 Ca -0.01 0.13 0.14 0.00 0.02 0.00 0.00 57.03 57.32 3i3t h ASP 238 Cb 0.57 0.40 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 3i3t h ASP 238 CO -0.07 -0.37 -0.31 0.33 -1.72 0.00 0.00 179.24 177.10 3i3t n PHE 239 N -5.41 0.09 0.13 4.55 7.35 -0.79 -1.12 117.46 122.26 3i3t n PHE 239 Ca -0.04 1.06 -0.13 0.00 -0.76 0.00 0.00 57.45 57.57 3i3t n PHE 239 Cb 0.33 -0.86 -0.08 0.00 0.35 0.00 0.00 39.48 39.21 3i3t n PHE 239 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i3t h LEU 241 N -0.61 0.36 0.00 0.00 3.38 -0.67 -1.49 115.31 116.28 3i3t h LEU 241 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i3t h LEU 241 Cb 0.44 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i3t h LEU 241 CO 0.05 0.26 -0.10 0.54 0.09 0.00 0.00 178.44 179.29 3i3t n ARG 242 N -4.49 0.18 -3.46 1.13 1.74 -0.28 -4.90 116.66 106.58 3i3t n ARG 242 Ca 0.02 0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 3i3t n ARG 242 Cb 0.08 -1.69 0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3i3t n ARG 242 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i3t n ARG 243 N -2.00 -6.52 0.28 5.56 5.12 -0.56 -4.88 116.66 113.66 3i3t n ARG 243 Ca 0.06 0.81 0.16 0.00 -1.93 0.00 0.00 57.85 56.94 3i3t n ARG 243 Cb 0.40 -5.77 0.75 0.00 -1.16 0.00 0.00 32.46 26.69 3i3t n ARG 243 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3i3t h ASP 244 N -2.15 0.00 0.11 0.55 3.32 -1.70 -2.42 116.42 114.12 3i3t h ASP 244 Ca -0.55 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 3i3t h ASP 244 Cb 1.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3i3t h ASP 244 CO 0.58 0.07 -0.17 2.19 -1.72 0.00 0.00 179.24 180.19 3i3t h PHE 245 N 0.00 0.15 -0.93 4.55 -5.15 -1.90 -2.50 116.94 111.17 3i3t h PHE 245 Ca -0.00 -0.02 0.21 0.00 -0.20 0.00 0.00 57.97 57.96 3i3t h PHE 245 Cb 0.41 -0.04 -0.07 0.00 0.22 0.00 0.00 35.95 36.47 3i3t h PHE 245 CO 0.00 0.32 0.61 0.00 -2.00 0.00 0.00 178.31 177.24 3i3t h ARG 246 N 0.14 0.44 -0.12 6.09 -0.00 -1.81 -2.94 114.38 116.17 3i3t h ARG 246 Ca 0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3i3t h ARG 246 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.27 3i3t h ARG 246 CO 0.03 0.29 0.00 1.04 0.00 0.00 0.00 179.97 181.33 3i3t n GLN 247 N -4.54 1.52 0.25 0.04 1.13 -0.95 -4.03 117.38 110.79 3i3t n GLN 247 Ca 0.20 -1.61 0.13 0.00 -1.94 0.00 0.00 57.00 53.78 3i3t n GLN 247 Cb 0.70 -1.31 0.60 0.00 0.11 0.00 0.00 30.24 30.33 3i3t n GLN 247 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3i3t h GLU 248 N 2.97 0.00 -3.32 -1.09 4.39 -1.37 -3.53 114.58 112.63 3i3t h GLU 248 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i3t h GLU 248 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3i3t h GLU 248 CO 0.00 0.14 -0.18 0.28 -1.16 0.00 0.00 179.01 178.10 3i3t n VAL 249 N -3.36 -3.78 0.00 3.13 0.31 -1.26 -4.47 118.33 108.90 3i3t n VAL 249 Ca -0.00 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3i3t n VAL 249 Cb 0.35 -4.35 0.00 0.00 -0.91 0.00 0.00 33.84 28.93 3i3t n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i3t n GLN 256 N 0.14 0.00 -0.02 5.55 6.02 -1.26 -4.64 117.38 123.18 3i3t n GLN 256 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 3i3t n GLN 256 Cb 0.02 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.24 3i3t n GLN 256 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i3t h GLU 257 N 0.00 0.06 -0.01 -1.09 4.81 -1.99 0.01 114.58 116.36 3i3t h GLU 257 Ca 0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 3i3t h GLU 257 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3i3t h GLU 257 CO 0.00 0.04 -0.68 1.25 -0.73 0.00 0.00 179.01 178.89 3i3t h LEU 258 N 0.06 0.07 -0.60 1.64 5.85 -1.95 -2.14 115.31 118.24 3i3t h LEU 258 Ca 0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3i3t h LEU 258 Cb 0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3i3t h LEU 258 CO -0.10 0.72 0.22 0.74 -0.34 0.00 0.00 178.44 179.68 3i3t h THR 259 N 0.04 1.24 -0.34 1.05 2.02 -1.85 0.77 112.91 115.82 3i3t h THR 259 Ca -0.01 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3i3t h THR 259 Cb 1.20 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3i3t h THR 259 CO 0.09 0.30 0.01 -0.33 0.37 0.00 0.00 175.52 175.96 3i3t h GLU 260 N 0.85 0.53 0.09 6.66 4.39 -0.74 0.19 114.58 126.56 3i3t h GLU 260 Ca 0.20 -0.11 -0.26 0.00 0.34 0.00 0.00 59.36 59.53 3i3t h GLU 260 Cb 0.25 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3i3t h GLU 260 CO -0.01 0.55 -1.16 0.00 -1.16 0.00 0.00 179.01 177.24 3i3t h ALA 261 N 1.50 0.17 0.44 3.43 0.00 -1.22 -2.98 119.26 120.60 3i3t h ALA 261 Ca 0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 3i3t h ALA 261 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i3t h ALA 261 CO 0.01 0.90 -0.21 0.35 0.00 0.00 0.00 179.25 180.30 3i3t h PHE 262 N 0.13 -0.55 -0.54 0.00 3.57 -0.61 -2.50 116.94 116.43 3i3t h PHE 262 Ca -0.12 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.47 3i3t h PHE 262 Cb 1.85 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 40.67 3i3t h PHE 262 CO 0.07 -0.34 -0.16 0.00 -2.23 0.00 0.00 178.31 175.65 3i3t n ALA 263 N -2.30 0.07 0.93 2.41 0.00 0.66 -0.07 120.51 122.22 3i3t n ALA 263 Ca -0.07 0.58 0.12 0.00 0.00 0.00 0.00 53.44 54.07 3i3t n ALA 263 Cb 0.24 -0.33 0.27 0.00 0.00 0.00 0.00 19.45 19.63 3i3t n ALA 263 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3t n ASP 264 N -4.86 2.58 0.02 0.00 5.68 -1.13 -0.44 116.55 118.40 3i3t n ASP 264 Ca 0.08 -1.84 -0.13 0.00 -0.50 0.00 0.00 54.79 52.40 3i3t n ASP 264 Cb 0.26 -0.10 -0.09 0.00 -1.14 0.00 0.00 41.12 40.04 3i3t n ASP 264 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3i3t h VAL 265 N 3.66 1.22 -1.01 2.12 2.07 -0.02 -2.35 116.25 121.95 3i3t h VAL 265 Ca 0.00 -1.14 0.25 0.00 0.82 0.00 0.00 66.70 66.63 3i3t h VAL 265 Cb 0.79 1.95 -0.12 0.00 -1.52 0.00 0.00 31.29 32.39 3i3t h VAL 265 CO 0.00 0.28 0.61 0.40 0.02 0.00 0.00 177.57 178.87 3i3t h ILE 266 N -0.62 0.53 0.99 4.57 1.08 -1.38 -1.64 117.51 121.04 3i3t h ILE 266 Ca -0.01 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 3i3t h ILE 266 Cb 0.52 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.21 3i3t h ILE 266 CO 0.02 0.10 -0.48 1.23 -0.69 0.00 0.00 178.15 178.33 3i3t h GLY 267 N 0.55 -1.39 -0.66 5.37 0.00 -0.68 -2.92 103.07 103.34 3i3t h GLY 267 Ca 0.64 0.52 0.36 0.00 0.00 0.00 0.00 47.33 48.85 3i3t h GLY 267 CO -0.46 -0.51 0.79 0.00 0.00 0.00 0.00 176.54 176.37 3i3t h ALA 268 N -1.32 2.58 0.00 3.60 0.00 -0.75 -1.80 119.26 121.56 3i3t h ALA 268 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i3t h ALA 268 Cb 1.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i3t h ALA 268 CO 0.22 -1.09 0.00 1.28 0.00 0.00 0.00 179.25 179.66 3i3t n LEU 269 N -4.61 0.00 0.00 0.00 4.77 -0.96 -4.69 117.00 111.52 3i3t n LEU 269 Ca 0.31 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3i3t n LEU 269 Cb 1.20 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3i3t n LEU 269 CO 0.25 -0.02 0.00 1.87 -1.33 0.00 0.00 177.39 178.15 3i3t n TRP 270 N -1.28 0.00 -3.75 -1.77 -0.00 -0.68 -4.58 117.44 105.39 3i3t n TRP 270 Ca 0.13 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.29 3i3t n TRP 270 Cb 0.22 -0.31 -0.09 0.00 -0.00 0.00 0.00 31.31 31.13 3i3t n TRP 270 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 3i3t s HIS 271 N -0.69 3.59 0.21 5.87 3.76 -1.26 -5.04 115.29 121.73 3i3t s HIS 271 Ca 0.00 -3.00 -0.30 0.00 -0.15 0.00 0.00 55.06 51.61 3i3t s HIS 271 Cb 0.00 -3.08 -0.08 0.00 1.11 0.00 0.00 32.58 30.52 3i3t s HIS 271 CO 0.00 -0.74 0.98 -1.25 -0.85 0.00 0.00 174.74 172.88 3i3t s PRO 272 N -0.82 4.77 -0.07 8.40 0.04 -1.26 -4.95 135.00 141.11 3i3t s PRO 272 Ca 0.22 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 3i3t s PRO 272 Cb -0.13 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 3i3t s PRO 272 CO -0.09 0.37 -0.04 0.38 0.04 0.00 0.00 177.00 177.67 3i3t h ASP 273 N 4.53 0.00 -3.45 6.66 2.03 -1.98 -3.47 116.42 120.74 3i3t h ASP 273 Ca -0.45 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.44 3i3t h ASP 273 Cb 1.20 0.00 0.19 0.00 -0.83 0.00 0.00 39.33 39.90 3i3t h ASP 273 CO 0.69 0.36 0.08 -0.94 -1.03 0.00 0.00 179.24 178.40 3i3t s SER 274 N -4.66 0.85 0.00 4.15 1.04 -1.26 -4.99 113.70 108.83 3i3t s SER 274 Ca -0.03 0.90 0.24 0.00 0.48 0.00 0.00 55.95 57.54 3i3t s SER 274 Cb 0.00 -1.34 0.25 0.00 0.10 0.00 0.00 66.02 65.04 3i3t s SER 274 CO 0.04 -4.20 1.26 0.00 0.98 0.00 0.00 173.24 171.33 3i3t n GLU 276 N 0.07 0.01 -1.83 0.00 -0.58 -1.26 -4.81 120.64 112.23 3i3t n GLU 276 Ca 0.11 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.53 3i3t n GLU 276 Cb 0.46 -1.10 0.03 0.00 -0.57 0.00 0.00 31.44 30.25 3i3t n GLU 276 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i3t s ALA 277 N -0.80 2.69 0.33 0.62 0.00 -1.26 -4.68 121.76 118.66 3i3t s ALA 277 Ca 0.69 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 3i3t s ALA 277 Cb -1.00 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 18.81 3i3t s ALA 277 CO 0.56 -1.01 0.87 0.08 0.00 0.00 0.00 175.76 176.26 3i3t s VAL 278 N -2.68 4.40 -0.31 0.00 1.01 0.36 -4.79 120.40 118.39 3i3t s VAL 278 Ca 0.62 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 64.01 3i3t s VAL 278 Cb -0.15 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 3i3t s VAL 278 CO 0.44 -0.01 0.13 0.21 0.00 0.00 0.00 175.10 175.87 3i3t s ASN 279 N -1.87 5.41 -0.35 3.32 3.84 -1.26 -1.30 114.94 122.72 3i3t s ASN 279 Ca 0.52 -0.59 0.08 0.00 0.21 0.00 0.00 52.86 53.09 3i3t s ASN 279 Cb -0.14 -1.96 0.67 0.00 -0.55 0.00 0.00 41.25 39.26 3i3t s ASN 279 CO 0.19 -0.19 1.77 -0.81 -2.79 0.00 0.00 177.10 175.27 3i3t n PRO 280 N 4.94 2.84 0.04 0.43 -0.04 -1.26 -4.64 135.00 137.32 3i3t n PRO 280 Ca -0.14 -3.07 -0.12 0.00 -0.04 0.00 0.00 63.50 60.13 3i3t n PRO 280 Cb 0.49 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 3i3t n PRO 280 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i3t h THR 281 N 1.75 0.24 -0.29 0.52 2.02 -1.95 -1.45 112.91 113.75 3i3t h THR 281 Ca 0.37 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.59 3i3t h THR 281 Cb 2.36 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3i3t h THR 281 CO 0.78 0.00 0.07 -0.09 0.37 0.00 0.00 175.52 176.65 3i3t h ARG 282 N -0.48 0.18 -0.93 6.66 9.65 -2.00 0.11 114.38 127.58 3i3t h ARG 282 Ca 0.07 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3i3t h ARG 282 Cb 0.59 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.08 3i3t h ARG 282 CO -0.32 0.12 0.61 0.35 2.80 0.00 0.00 179.97 183.53 3i3t h PHE 283 N 0.19 1.15 -0.55 2.20 3.57 -1.79 0.86 116.94 122.57 3i3t h PHE 283 Ca 0.13 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 3i3t h PHE 283 Cb 0.13 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3i3t h PHE 283 CO -0.15 0.71 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.51 3i3t h ARG 284 N 1.23 0.97 -0.58 1.11 2.43 -0.52 -0.68 114.38 118.33 3i3t h ARG 284 Ca 0.35 -0.31 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3i3t h ARG 284 Cb -0.09 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 3i3t h ARG 284 CO -0.09 0.97 0.23 0.00 -1.51 0.00 0.00 179.97 179.57 3i3t h ALA 285 N 1.07 0.74 0.03 2.80 0.00 0.15 0.53 119.26 124.57 3i3t h ALA 285 Ca 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i3t h ALA 285 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i3t h ALA 285 CO 0.03 -0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.38 3i3t h VAL 286 N 0.43 1.34 -0.73 0.00 2.07 -1.01 -2.68 116.25 115.66 3i3t h VAL 286 Ca 0.28 -1.19 0.12 0.00 0.82 0.00 0.00 66.70 66.74 3i3t h VAL 286 Cb 0.31 2.12 -0.13 0.00 -1.52 0.00 0.00 31.29 32.07 3i3t h VAL 286 CO -0.27 0.30 -0.35 0.15 0.02 0.00 0.00 177.57 177.42 3i3t h PHE 287 N -0.56 -0.96 0.00 1.57 3.57 -1.02 -1.71 116.94 117.82 3i3t h PHE 287 Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3i3t h PHE 287 Cb 0.52 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3i3t h PHE 287 CO 0.10 -0.39 0.00 -0.56 -2.23 0.00 0.00 178.31 175.23 3i3t h GLN 288 N -0.10 0.00 0.18 1.11 3.07 -0.91 -1.80 115.11 116.66 3i3t h GLN 288 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.01 3i3t h GLN 288 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 3i3t h GLN 288 CO -0.79 0.00 -0.13 -0.22 0.09 0.00 0.00 178.83 177.79 3i3t h LYS 289 N 0.00 -0.30 0.00 0.06 1.63 -0.97 -3.05 116.57 113.94 3i3t h LYS 289 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3i3t h LYS 289 Cb 0.66 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3i3t h LYS 289 CO 0.00 -0.20 0.00 0.66 -3.45 0.00 0.00 179.45 176.46 3i3t n TYR 290 N -5.25 0.00 -3.20 1.91 4.01 -0.84 -4.26 117.16 109.52 3i3t n TYR 290 Ca -0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.42 3i3t n TYR 290 Cb 0.17 -0.41 -0.07 0.00 -0.31 0.00 0.00 39.34 38.71 3i3t n TYR 290 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3i3t n VAL 291 N -1.41 -0.74 0.30 -0.72 0.31 -0.71 -5.02 118.33 110.34 3i3t n VAL 291 Ca 0.09 -3.91 0.18 0.00 -0.01 0.00 0.00 64.34 60.69 3i3t n VAL 291 Cb 0.28 -1.88 0.99 0.00 -0.91 0.00 0.00 33.84 32.33 3i3t n VAL 291 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i3t h PRO 292 N 4.17 0.00 0.00 5.55 0.13 -1.71 -1.38 132.00 138.76 3i3t h PRO 292 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3i3t h PRO 292 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3i3t h PRO 292 CO 0.45 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.09 3i3t n SER 293 N -3.57 0.49 -1.73 1.44 3.41 -1.26 -1.85 113.62 110.54 3i3t n SER 293 Ca -0.02 0.69 -0.02 0.00 -0.26 0.00 0.00 58.87 59.26 3i3t n SER 293 Cb 0.13 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.62 3i3t n SER 293 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i3t n PHE 294 N -2.11 2.04 -1.85 7.33 3.01 -0.52 -4.95 117.46 120.41 3i3t n PHE 294 Ca -0.00 -1.14 -0.31 0.00 1.01 0.00 0.00 57.45 57.01 3i3t n PHE 294 Cb 0.09 -0.59 0.02 0.00 -0.01 0.00 0.00 39.48 38.99 3i3t n PHE 294 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i3t s SER 295 N -1.31 6.06 0.00 4.37 1.04 -0.77 -4.85 113.70 118.23 3i3t s SER 295 Ca 0.52 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.35 3i3t s SER 295 Cb 0.42 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 64.14 3i3t s SER 295 CO 0.12 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3i3t n GLY 296 N -2.73 -0.25 0.18 7.32 0.00 -1.26 -4.67 105.19 103.78 3i3t n GLY 296 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3i3t n GLY 296 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i3t n TYR 297 N 0.00 0.00 -2.13 1.61 4.02 -1.26 -5.07 117.16 114.33 3i3t n TYR 297 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3i3t n TYR 297 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3i3t n TYR 297 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3t s SER 298 N -0.34 5.98 1.06 7.72 1.04 -1.26 -4.55 113.70 123.36 3i3t s SER 298 Ca 0.00 2.45 -0.12 0.00 0.48 0.00 0.00 55.95 58.75 3i3t s SER 298 Cb 0.00 -2.61 0.23 0.00 0.10 0.00 0.00 66.02 63.73 3i3t s SER 298 CO 0.00 -1.06 1.07 -1.10 0.98 0.00 0.00 173.24 173.13 3i3t s GLN 299 N -2.69 -0.10 0.14 4.02 -0.21 -1.26 -4.94 119.66 114.63 3i3t s GLN 299 Ca 0.65 0.69 -0.25 0.00 0.02 0.00 0.00 55.36 56.46 3i3t s GLN 299 Cb -0.32 -1.66 0.07 0.00 1.00 0.00 0.00 33.01 32.09 3i3t s GLN 299 CO 0.39 -3.13 0.81 -1.14 -2.12 0.00 0.00 175.29 170.10 3i3t s GLN 300 N -4.75 1.25 -0.11 2.91 2.00 -1.26 -5.12 119.66 114.58 3i3t s GLN 300 Ca 0.67 -0.60 -0.25 0.00 -2.00 0.00 0.00 55.36 53.17 3i3t s GLN 300 Cb -0.21 0.49 -0.02 0.00 0.80 0.00 0.00 33.01 34.06 3i3t s GLN 300 CO 0.60 -0.56 0.81 0.34 -0.50 0.00 0.00 175.29 175.98 3i3t s ASP 301 N -2.78 7.02 0.20 6.67 -1.08 -1.26 -4.86 116.67 120.59 3i3t s ASP 301 Ca 0.08 1.25 -0.07 0.00 -0.52 0.00 0.00 52.55 53.28 3i3t s ASP 301 Cb -0.02 -2.46 0.14 0.00 -1.46 0.00 0.00 42.92 39.12 3i3t s ASP 301 CO -0.03 -0.28 1.69 0.00 0.52 0.00 0.00 175.17 177.07 3i3t h ALA 302 N 7.06 0.93 0.00 3.66 0.00 -1.99 0.04 119.26 128.95 3i3t h ALA 302 Ca -0.35 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3i3t h ALA 302 Cb 1.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i3t h ALA 302 CO 0.80 0.66 -0.27 -0.56 0.00 0.00 0.00 179.25 179.87 3i3t h GLN 303 N 0.99 0.00 0.03 0.00 -0.00 -1.92 0.50 115.11 114.70 3i3t h GLN 303 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.84 3i3t h GLN 303 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 3i3t h GLN 303 CO 0.02 0.27 -0.01 1.49 -0.00 0.00 0.00 178.83 180.59 3i3t h GLU 304 N 0.00 -0.04 -0.18 0.06 4.81 -1.92 -1.93 114.58 115.39 3i3t h GLU 304 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3i3t h GLU 304 Cb 1.04 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3i3t h GLU 304 CO 0.04 0.58 -0.27 0.35 -0.73 0.00 0.00 179.01 178.97 3i3t h PHE 305 N -0.69 -0.74 0.00 0.92 3.57 -0.75 -0.93 116.94 118.32 3i3t h PHE 305 Ca -0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3i3t h PHE 305 Cb 0.63 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3i3t h PHE 305 CO 0.14 -0.35 -0.16 1.25 -2.23 0.00 0.00 178.31 176.96 3i3t h LEU 306 N -0.32 0.00 0.04 0.59 5.85 -0.94 -0.50 115.31 120.03 3i3t h LEU 306 Ca 0.11 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 3i3t h LEU 306 Cb 0.49 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.54 3i3t h LEU 306 CO -0.36 0.16 -0.84 0.50 -0.34 0.00 0.00 178.44 177.56 3i3t h LYS 307 N 0.00 0.49 0.00 1.25 3.64 -0.39 -2.21 116.57 119.36 3i3t h LYS 307 Ca -0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 3i3t h LYS 307 Cb 0.37 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3i3t h LYS 307 CO 0.02 1.22 0.00 1.28 -2.27 0.00 0.00 179.45 179.70 3i3t n LEU 308 N -4.06 0.54 -0.06 5.20 4.32 -0.48 -1.87 117.00 120.59 3i3t n LEU 308 Ca -0.12 0.57 -0.05 0.00 -0.02 0.00 0.00 56.01 56.39 3i3t n LEU 308 Cb 0.79 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 3i3t n LEU 308 CO 0.51 -0.24 0.04 0.25 -1.22 0.00 0.00 177.39 176.73 3i3t h LEU 309 N 0.00 0.00 -0.95 2.23 5.85 -1.07 -3.21 115.31 118.17 3i3t h LEU 309 Ca 0.00 -0.30 0.25 0.00 0.84 0.00 0.00 57.88 58.67 3i3t h LEU 309 Cb 0.55 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.41 3i3t h LEU 309 CO 0.00 0.71 0.01 0.24 -0.34 0.00 0.00 178.44 179.06 3i3t h MET 310 N -1.00 0.03 -0.79 1.25 2.86 -1.46 -0.65 114.93 115.17 3i3t h MET 310 Ca -0.02 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.77 3i3t h MET 310 Cb 0.39 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 3i3t h MET 310 CO -0.01 0.02 0.34 0.93 1.06 0.00 0.00 176.91 179.25 3i3t h GLU 311 N 0.03 0.48 0.12 1.72 5.08 -1.50 -0.96 114.58 119.55 3i3t h GLU 311 Ca 0.55 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.61 3i3t h GLU 311 Cb 1.09 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.26 3i3t h GLU 311 CO -0.88 0.32 -1.13 -0.09 -1.00 0.00 0.00 179.01 176.23 3i3t h ARG 312 N 0.49 0.56 0.28 2.33 9.65 -1.31 -2.69 114.38 123.70 3i3t h ARG 312 Ca 0.44 -0.76 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 3i3t h ARG 312 Cb 0.66 0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 29.46 3i3t h ARG 312 CO -0.40 1.34 -0.42 -0.07 2.80 0.00 0.00 179.97 183.22 3i3t h LEU 313 N 0.15 -1.20 -0.98 3.80 4.07 -1.16 -1.91 115.31 118.09 3i3t h LEU 313 Ca -0.17 0.11 0.21 0.00 0.08 0.00 0.00 57.88 58.10 3i3t h LEU 313 Cb 1.83 0.42 -0.19 0.00 1.08 0.00 0.00 40.66 43.80 3i3t h LEU 313 CO 0.22 -0.50 -0.21 -0.74 -1.08 0.00 0.00 178.44 176.12 3i3t h HIS 314 N -0.73 -0.46 -0.30 1.13 2.76 -1.22 0.17 115.15 116.50 3i3t h HIS 314 Ca -0.03 0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3i3t h HIS 314 Cb 0.67 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 3i3t h HIS 314 CO -0.31 -0.42 0.04 1.25 -1.30 0.00 0.00 177.93 177.19 3i3t h LEU 315 N 0.00 0.48 -1.40 0.26 5.85 -1.33 0.45 115.31 119.62 3i3t h LEU 315 Ca 0.49 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3i3t h LEU 315 Cb 0.78 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3i3t h LEU 315 CO -1.00 0.62 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.32 3i3t h GLU 316 N 0.32 0.00 -0.14 1.25 5.08 0.12 -3.30 114.58 117.91 3i3t h GLU 316 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i3t h GLU 316 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3i3t h GLU 316 CO 0.01 0.08 0.00 0.44 -1.00 0.00 0.00 179.01 178.53 3i3t n ILE 317 N -3.22 0.58 -1.64 3.13 -5.35 -0.50 -4.82 119.36 107.54 3i3t n ILE 317 Ca 0.00 -0.79 -0.49 0.00 -0.27 0.00 0.00 62.75 61.21 3i3t n ILE 317 Cb 0.34 0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 38.96 3i3t n ILE 317 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i3t n ASN 318 N 0.29 2.57 0.06 7.28 2.85 0.12 -4.61 115.26 123.83 3i3t n ASN 318 Ca 0.06 1.09 -0.12 0.00 -0.11 0.00 0.00 54.58 55.50 3i3t n ASN 318 Cb 0.29 -1.33 -0.02 0.00 1.24 0.00 0.00 39.78 39.96 3i3t n ASN 318 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3i3t h ARG 319 N 5.65 0.39 0.00 1.20 3.08 -0.08 -3.44 114.38 121.19 3i3t h ARG 319 Ca -0.46 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.20 3i3t h ARG 319 Cb 1.29 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3i3t h ARG 319 CO 0.85 1.06 0.00 0.54 -1.07 0.00 0.00 179.97 181.35 3i3t n ARG 320 N -3.76 0.36 0.00 0.04 1.74 -1.24 -4.95 116.66 108.85 3i3t n ARG 320 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3i3t n ARG 320 Cb 0.80 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.24 3i3t n ARG 320 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i3t n LEU 349 N 0.00 0.00 -4.86 0.55 7.94 -1.26 -5.04 117.00 114.33 3i3t n LEU 349 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 3i3t n LEU 349 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3i3t n LEU 349 CO 0.00 0.00 0.19 -0.55 -1.11 0.00 0.00 177.39 175.92 3i3t s SER 350 N 0.00 6.72 0.17 1.96 0.15 -1.26 -4.92 113.70 116.52 3i3t s SER 350 Ca 0.00 0.96 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 3i3t s SER 350 Cb 0.00 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 3i3t s SER 350 CO 0.00 0.07 1.57 0.44 1.20 0.00 0.00 173.24 176.52 3i3t h ASP 351 N 3.31 -1.52 0.20 5.45 3.32 -2.02 0.12 116.42 125.27 3i3t h ASP 351 Ca -0.48 0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3i3t h ASP 351 Cb 1.19 0.70 -0.00 0.00 0.22 0.00 0.00 39.33 41.43 3i3t h ASP 351 CO 0.67 -0.33 -0.01 0.44 -1.72 0.00 0.00 179.24 178.29 3i3t h ASP 352 N -0.20 0.00 0.17 6.45 3.32 -1.99 -2.10 116.42 122.07 3i3t h ASP 352 Ca 0.19 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.96 3i3t h ASP 352 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 3i3t h ASP 352 CO -0.72 0.01 -1.34 0.44 -1.72 0.00 0.00 179.24 175.91 3i3t h ASP 353 N 0.00 0.55 -0.20 6.45 3.32 -1.21 -2.59 116.42 122.74 3i3t h ASP 353 Ca -0.00 -0.91 0.01 0.00 0.02 0.00 0.00 57.03 56.15 3i3t h ASP 353 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3i3t h ASP 353 CO 0.00 1.61 0.11 0.03 -1.72 0.00 0.00 179.24 179.27 3i3t h ARG 354 N -0.15 0.22 -0.29 3.56 3.08 -1.08 -1.23 114.38 118.49 3i3t h ARG 354 Ca -0.26 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.81 3i3t h ARG 354 Cb 1.88 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.84 3i3t h ARG 354 CO 0.15 0.15 -0.27 0.00 -1.07 0.00 0.00 179.97 178.93 3i3t h ALA 355 N 1.09 -0.43 -0.56 0.04 0.00 -1.43 0.15 119.26 118.11 3i3t h ALA 355 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i3t h ALA 355 Cb 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3i3t h ALA 355 CO -0.04 -0.59 0.32 -0.91 0.00 0.00 0.00 179.25 178.04 3i3t h ASN 356 N -0.12 0.67 -0.18 0.00 2.35 -1.34 0.16 115.58 117.12 3i3t h ASN 356 Ca 0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3i3t h ASN 356 Cb 0.25 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3i3t h ASN 356 CO -0.34 0.53 0.08 0.25 -1.65 0.00 0.00 177.43 176.30 3i3t h LEU 357 N 0.77 0.23 -1.03 1.61 7.12 -0.50 0.05 115.31 123.57 3i3t h LEU 357 Ca 0.20 -0.13 -0.09 0.00 0.13 0.00 0.00 57.88 57.99 3i3t h LEU 357 Cb -0.01 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 3i3t h LEU 357 CO -0.04 0.30 -0.31 0.24 -0.13 0.00 0.00 178.44 178.50 3i3t h MET 358 N 0.15 0.30 -0.34 1.25 2.86 0.02 -1.90 114.93 117.27 3i3t h MET 358 Ca 0.06 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3i3t h MET 358 Cb 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3i3t h MET 358 CO -0.01 0.59 0.11 2.35 1.06 0.00 0.00 176.91 181.01 3i3t h TRP 359 N 0.26 0.56 -0.08 -0.22 2.91 -0.10 -0.88 115.95 118.39 3i3t h TRP 359 Ca 0.04 -0.06 -0.23 0.00 1.13 0.00 0.00 58.89 59.77 3i3t h TRP 359 Cb 0.69 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3i3t h TRP 359 CO 0.01 0.55 -0.85 0.87 -1.03 0.00 0.00 178.44 177.99 3i3t h LYS 360 N 0.40 0.64 -0.91 2.65 1.57 -0.78 -0.65 116.57 119.50 3i3t h LYS 360 Ca 0.11 -0.58 0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3i3t h LYS 360 Cb 0.25 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 3i3t h LYS 360 CO -0.00 1.20 0.52 0.00 -0.57 0.00 0.00 179.45 180.59 3i3t h ARG 361 N 0.41 0.74 -0.14 3.15 3.08 -1.34 -1.94 114.38 118.34 3i3t h ARG 361 Ca -0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3i3t h ARG 361 Cb 1.48 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 3i3t h ARG 361 CO 0.16 0.49 0.01 -0.92 -1.07 0.00 0.00 179.97 178.64 3i3t h TYR 362 N 0.76 0.27 0.00 3.04 3.20 -0.60 -2.75 116.97 120.88 3i3t h TYR 362 Ca 0.48 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.31 3i3t h TYR 362 Cb 0.62 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3i3t h TYR 362 CO -0.05 0.46 0.00 1.28 -1.64 0.00 0.00 178.16 178.21 3i3t n LEU 363 N -4.78 0.00 0.11 2.82 4.77 -0.30 -1.32 117.00 118.31 3i3t n LEU 363 Ca -0.05 0.33 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 3i3t n LEU 363 Cb 0.20 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3i3t n LEU 363 CO 0.36 -0.24 0.18 -0.33 -1.33 0.00 0.00 177.39 176.03 3i3t h GLU 364 N 0.00 0.00 0.00 3.23 5.08 -1.04 -3.38 114.58 118.46 3i3t h GLU 364 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i3t h GLU 364 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i3t h GLU 364 CO 0.00 0.23 -1.36 2.89 -1.00 0.00 0.00 179.01 179.77 3i3t n ARG 365 N -2.96 1.54 -4.08 2.33 1.85 -1.14 -4.87 116.66 109.32 3i3t n ARG 365 Ca -0.02 -0.03 -0.32 0.00 -1.00 0.00 0.00 57.85 56.48 3i3t n ARG 365 Cb 0.69 -1.16 -0.16 0.00 -1.05 0.00 0.00 32.46 30.78 3i3t n ARG 365 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3i3t s GLU 366 N -2.31 2.58 -0.29 2.89 0.41 -0.43 -4.61 118.70 116.94 3i3t s GLU 366 Ca -0.03 -0.98 -0.12 0.00 -0.41 0.00 0.00 54.97 53.43 3i3t s GLU 366 Cb 0.03 -2.62 0.11 0.00 -1.78 0.00 0.00 34.13 29.87 3i3t s GLU 366 CO 0.26 -0.36 0.67 0.34 -0.49 0.00 0.00 175.26 175.69 3i3t s ASP 367 N 1.26 -1.07 0.17 -0.19 2.15 -1.26 -3.70 116.67 114.02 3i3t s ASP 367 Ca -0.00 1.55 -0.23 0.00 0.43 0.00 0.00 52.55 54.29 3i3t s ASP 367 Cb -0.16 1.99 0.08 0.00 -0.30 0.00 0.00 42.92 44.53 3i3t s ASP 367 CO -0.10 -0.23 1.03 -0.94 -0.17 0.00 0.00 175.17 174.77 3i3t s SER 368 N 2.46 -0.04 0.56 -0.34 1.04 -1.26 0.59 113.70 116.71 3i3t s SER 368 Ca -0.07 -0.58 0.28 0.00 0.48 0.00 0.00 55.95 56.06 3i3t s SER 368 Cb -0.10 0.48 1.67 0.00 0.10 0.00 0.00 66.02 68.17 3i3t s SER 368 CO -0.19 -0.93 2.18 0.50 0.98 0.00 0.00 173.24 175.78 3i3t h LYS 369 N 2.00 0.00 -0.11 4.02 1.63 -1.97 0.17 116.57 122.32 3i3t h LYS 369 Ca -0.27 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.37 3i3t h LYS 369 Cb 1.22 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 3i3t h LYS 369 CO 0.33 0.05 -0.61 0.82 -3.45 0.00 0.00 179.45 176.58 3i3t h ILE 370 N 0.00 1.36 -0.01 2.00 2.04 -1.95 -2.47 117.51 118.48 3i3t h ILE 370 Ca -0.00 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 63.91 3i3t h ILE 370 Cb 0.13 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3i3t h ILE 370 CO 0.01 0.59 -0.01 0.58 0.00 0.00 0.00 178.15 179.32 3i3t h VAL 371 N 0.28 1.37 -0.89 1.67 2.07 -1.74 -1.82 116.25 117.20 3i3t h VAL 371 Ca -0.01 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.53 3i3t h VAL 371 Cb 1.15 2.09 -0.13 0.00 -1.52 0.00 0.00 31.29 32.88 3i3t h VAL 371 CO 0.10 0.29 -0.49 0.44 0.02 0.00 0.00 177.57 177.93 3i3t h ASP 372 N -0.44 -1.78 0.13 0.57 3.32 -0.99 -3.14 116.42 114.10 3i3t h ASP 372 Ca 0.00 0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3i3t h ASP 372 Cb 0.47 0.83 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3i3t h ASP 372 CO 0.00 -0.28 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.11 3i3t h LEU 373 N -0.06 -0.15 -0.40 1.55 -0.00 -1.42 -3.39 115.31 111.43 3i3t h LEU 373 Ca 0.22 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 3i3t h LEU 373 Cb 0.51 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3i3t h LEU 373 CO -0.89 0.42 -0.39 0.49 -0.00 0.00 0.00 178.44 178.07 3i3t n PHE 374 N -4.89 0.00 -4.09 1.13 3.72 -0.69 -0.01 117.46 112.64 3i3t n PHE 374 Ca -0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 3i3t n PHE 374 Cb 0.27 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 3i3t n PHE 374 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3i3t s VAL 375 N -1.79 4.74 0.17 -4.37 1.01 -1.19 -4.38 120.40 114.59 3i3t s VAL 375 Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3i3t s VAL 375 Cb 0.09 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.30 3i3t s VAL 375 CO 0.38 0.32 0.28 0.61 0.00 0.00 0.00 175.10 176.69 3i3t n GLY 376 N 1.08 2.18 2.94 4.51 0.00 -0.42 -4.33 105.19 111.15 3i3t n GLY 376 Ca -0.12 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3i3t n GLY 376 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3t s GLN 377 N -2.23 0.24 0.37 1.61 0.74 -0.86 -0.47 119.66 119.06 3i3t s GLN 377 Ca 0.11 -0.24 0.08 0.00 0.05 0.00 0.00 55.36 55.36 3i3t s GLN 377 Cb -0.01 -0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.91 3i3t s GLN 377 CO 0.08 0.03 0.14 -0.51 -0.55 0.00 0.00 175.29 174.48 3i3t s LEU 378 N -0.45 3.17 -0.05 3.68 1.43 0.16 -1.37 118.68 125.27 3i3t s LEU 378 Ca -0.03 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 3i3t s LEU 378 Cb -0.03 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3i3t s LEU 378 CO -0.00 -0.38 -0.08 -0.75 0.23 0.00 0.00 176.35 175.37 3i3t s LYS 379 N -3.86 1.16 -0.15 1.70 2.20 -0.27 -2.00 119.74 118.52 3i3t s LYS 379 Ca 0.39 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 3i3t s LYS 379 Cb -0.00 -1.05 0.03 0.00 -1.51 0.00 0.00 37.83 35.30 3i3t s LYS 379 CO 0.22 -0.01 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.56 3i3t s SER 380 N 0.72 2.74 -0.14 1.43 1.04 -0.52 -1.18 113.70 117.79 3i3t s SER 380 Ca -0.12 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 3i3t s SER 380 Cb -0.14 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 3i3t s SER 380 CO 0.02 -0.11 0.48 0.00 0.98 0.00 0.00 173.24 174.60 3i3t s LEU 382 N 0.89 4.04 -0.08 0.00 2.96 0.12 -2.26 118.68 124.34 3i3t s LEU 382 Ca 0.25 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3i3t s LEU 382 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3i3t s LEU 382 CO 0.10 0.13 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.56 3i3t s LYS 383 N 0.67 2.80 -0.08 1.98 1.02 0.14 -0.48 119.74 125.80 3i3t s LYS 383 Ca 0.06 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.13 3i3t s LYS 383 Cb -0.12 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 3i3t s LYS 383 CO 0.01 0.45 0.53 0.00 -0.92 0.00 0.00 175.35 175.42 3i3t n GLN 385 N 3.33 1.45 -0.06 0.00 1.13 -0.60 -1.57 117.38 121.06 3i3t n GLN 385 Ca -0.07 -0.70 -0.12 0.00 -1.94 0.00 0.00 57.00 54.18 3i3t n GLN 385 Cb 0.51 -1.17 -0.04 0.00 0.11 0.00 0.00 30.24 29.65 3i3t n GLN 385 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3t n ALA 386 N 0.05 1.95 0.64 -1.58 0.00 -1.26 -4.79 120.51 115.52 3i3t n ALA 386 Ca 0.08 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.09 3i3t n ALA 386 Cb 0.17 0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.88 3i3t n ALA 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3t n GLY 388 N 1.39 0.41 3.70 0.00 0.00 -0.61 -5.02 105.19 105.06 3i3t n GLY 388 Ca 0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3i3t n GLY 388 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i3t s TYR 389 N -1.79 2.26 -0.50 1.61 5.04 -1.25 -4.70 117.35 118.02 3i3t s TYR 389 Ca 0.00 0.03 -0.15 0.00 -2.44 0.00 0.00 57.07 54.51 3i3t s TYR 389 Cb 0.00 -4.17 0.11 0.00 0.35 0.00 0.00 41.96 38.24 3i3t s TYR 389 CO 0.00 -4.79 0.44 1.03 -1.34 0.00 0.00 175.55 170.89 3i3t s ARG 390 N 2.51 2.92 -0.40 4.97 0.52 -1.26 -1.78 118.95 126.43 3i3t s ARG 390 Ca 0.80 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 54.24 3i3t s ARG 390 Cb -0.47 -4.18 0.01 0.00 0.52 0.00 0.00 34.95 30.84 3i3t s ARG 390 CO 0.36 -1.19 0.58 0.45 0.02 0.00 0.00 175.30 175.52 3i3t s SER 391 N 3.08 6.31 -0.21 0.23 0.15 0.37 -4.95 113.70 118.69 3i3t s SER 391 Ca 0.04 -0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 3i3t s SER 391 Cb -0.27 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3i3t s SER 391 CO 0.04 -0.66 -0.02 -0.89 1.20 0.00 0.00 173.24 172.91 3i3t s THR 392 N 2.60 3.65 0.14 6.45 2.01 -1.26 0.11 115.64 129.35 3i3t s THR 392 Ca 0.20 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.88 3i3t s THR 392 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3i3t s THR 392 CO 0.16 0.43 -0.20 0.28 -0.69 0.00 0.00 174.62 174.60 3i3t s THR 393 N 1.20 1.83 -0.02 -0.82 -1.32 -0.26 -4.98 115.64 111.27 3i3t s THR 393 Ca 0.03 -1.78 0.05 0.00 -1.21 0.00 0.00 61.69 58.78 3i3t s THR 393 Cb -0.14 -1.76 -0.01 0.00 -1.51 0.00 0.00 72.50 69.07 3i3t s THR 393 CO 0.00 -0.19 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.67 3i3t s PHE 394 N -1.66 1.69 -0.03 9.09 0.08 -1.26 -1.43 117.98 124.46 3i3t s PHE 394 Ca 0.13 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 3i3t s PHE 394 Cb -0.08 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 3i3t s PHE 394 CO 0.06 -0.06 0.09 -1.21 -0.10 0.00 0.00 175.22 174.00 3i3t s GLU 395 N -0.35 0.15 0.54 0.44 2.02 -0.85 -4.98 118.70 115.67 3i3t s GLU 395 Ca 0.05 0.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 3i3t s GLU 395 Cb -0.08 0.07 -0.06 0.00 0.10 0.00 0.00 34.13 34.16 3i3t s GLU 395 CO -0.00 -0.02 1.11 0.54 0.02 0.00 0.00 175.26 176.90 3i3t s VAL 396 N -0.16 3.32 0.02 2.63 0.11 -1.26 0.41 120.40 125.47 3i3t s VAL 396 Ca -0.02 0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 59.81 3i3t s VAL 396 Cb -0.02 -3.32 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 3i3t s VAL 396 CO 0.00 -0.20 0.02 0.72 -3.33 0.00 0.00 175.10 172.32 3i3t s PHE 397 N -1.87 0.24 -0.20 1.54 -0.12 0.38 -4.84 117.98 113.11 3i3t s PHE 397 Ca 0.71 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 57.12 3i3t s PHE 397 Cb -0.22 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3i3t s PHE 397 CO 0.26 -0.25 0.18 0.00 -0.05 0.00 0.00 175.22 175.36 3i3t s ASP 399 N -1.35 0.07 -0.26 0.00 -4.77 -1.26 -4.60 116.67 104.50 3i3t s ASP 399 Ca 0.02 -0.71 -0.05 0.00 -3.30 0.00 0.00 52.55 48.51 3i3t s ASP 399 Cb 0.03 0.38 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 3i3t s ASP 399 CO 0.16 -0.80 0.02 -0.76 0.70 0.00 0.00 175.17 174.50 3i3t s LEU 400 N -2.90 3.41 -0.48 2.11 1.02 0.16 -5.01 118.68 116.99 3i3t s LEU 400 Ca 0.09 -0.58 -0.18 0.00 0.02 0.00 0.00 54.13 53.49 3i3t s LEU 400 Cb 0.04 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.50 3i3t s LEU 400 CO -0.07 -0.11 0.51 -0.94 0.02 0.00 0.00 176.35 175.76 3i3t s SER 401 N 1.48 6.19 -0.19 2.29 1.04 -1.26 0.20 113.70 123.45 3i3t s SER 401 Ca 0.04 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.31 3i3t s SER 401 Cb -0.16 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 3i3t s SER 401 CO -0.00 -0.75 0.38 -0.76 0.98 0.00 0.00 173.24 173.09 3i3t s LEU 402 N 2.22 4.18 0.84 2.42 1.43 0.16 -4.86 118.68 125.06 3i3t s LEU 402 Ca 0.11 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 3i3t s LEU 402 Cb -0.20 -2.49 0.10 0.00 0.03 0.00 0.00 46.19 43.62 3i3t s LEU 402 CO 0.11 -0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 3i3t s PRO 403 N 1.12 1.72 -0.23 1.29 0.04 -1.26 -0.15 135.00 137.53 3i3t s PRO 403 Ca 0.19 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 3i3t s PRO 403 Cb -0.14 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.58 3i3t s PRO 403 CO 0.07 -2.03 -0.08 0.42 0.04 0.00 0.00 177.00 175.43 3i3t s ILE 404 N -2.84 2.86 0.65 0.56 -1.09 -1.26 -4.68 121.20 115.41 3i3t s ILE 404 Ca 0.63 -0.90 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 3i3t s ILE 404 Cb -0.19 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 3i3t s ILE 404 CO 0.57 0.30 1.18 -2.84 -1.23 0.00 0.00 174.94 172.91 3i3t s PRO 405 N 1.35 2.66 -0.09 2.79 0.02 -1.26 -5.09 135.00 135.38 3i3t s PRO 405 Ca 0.02 1.69 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 3i3t s PRO 405 Cb -0.16 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 3i3t s PRO 405 CO -0.05 -1.42 1.57 0.36 -0.33 0.00 0.00 177.00 177.13 3i3t n LYS 406 N -2.16 0.77 0.00 5.54 2.85 -1.26 -5.05 118.16 118.84 3i3t n LYS 406 Ca 0.13 -0.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 3i3t n LYS 406 Cb 0.50 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 3i3t n LYS 406 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i3t n VAL 414 N 3.10 0.00 -4.19 0.58 0.31 -1.26 -5.08 118.33 111.79 3i3t n VAL 414 Ca 0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.26 3i3t n VAL 414 Cb 0.27 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.14 3i3t n VAL 414 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i3t s SER 415 N 0.00 4.64 0.52 4.52 1.04 -1.26 -1.54 113.70 121.61 3i3t s SER 415 Ca 0.00 -0.71 0.19 0.00 0.48 0.00 0.00 55.95 55.91 3i3t s SER 415 Cb 0.00 -0.79 1.30 0.00 0.10 0.00 0.00 66.02 66.63 3i3t s SER 415 CO 0.00 -0.17 2.08 0.25 0.98 0.00 0.00 173.24 176.38 3i3t h LEU 416 N 1.69 0.02 -1.07 2.42 5.85 -0.96 -1.23 115.31 122.04 3i3t h LEU 416 Ca -0.44 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 3i3t h LEU 416 Cb 1.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3i3t h LEU 416 CO 0.62 0.02 0.02 -0.09 -0.34 0.00 0.00 178.44 178.66 3i3t h ARG 417 N 0.03 0.67 -0.02 1.25 2.43 -1.95 -2.72 114.38 114.08 3i3t h ARG 417 Ca 0.11 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3i3t h ARG 417 Cb 0.41 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3i3t h ARG 417 CO -0.00 0.68 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.48 3i3t h ASP 418 N 0.64 0.03 0.90 -3.80 3.32 -1.61 -1.33 116.42 114.57 3i3t h ASP 418 Ca 0.13 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 3i3t h ASP 418 Cb 0.38 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3i3t h ASP 418 CO 0.01 0.25 -0.49 0.00 -1.72 0.00 0.00 179.24 177.29 3i3t h PHE 420 N 0.00 0.54 -0.43 0.00 0.04 -1.22 -2.35 116.94 113.53 3i3t h PHE 420 Ca -0.00 -0.30 0.08 0.00 2.80 0.00 0.00 57.97 60.55 3i3t h PHE 420 Cb 1.07 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 39.07 3i3t h PHE 420 CO 0.00 1.12 -0.33 -0.91 -0.60 0.00 0.00 178.31 177.59 3i3t h ASN 421 N -0.19 -1.09 -0.66 2.17 2.35 -1.07 0.14 115.58 117.23 3i3t h ASN 421 Ca -0.07 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3i3t h ASN 421 Cb 1.27 0.52 -0.03 0.00 0.05 0.00 0.00 38.32 40.12 3i3t h ASN 421 CO 0.11 -0.32 0.44 0.25 -1.65 0.00 0.00 177.43 176.26 3i3t h LEU 422 N -0.24 0.72 -1.87 1.61 5.85 -1.50 0.19 115.31 120.07 3i3t h LEU 422 Ca 0.18 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3i3t h LEU 422 Cb 0.54 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3i3t h LEU 422 CO -0.56 0.51 -0.13 0.15 -0.34 0.00 0.00 178.44 178.08 3i3t h PHE 423 N 0.85 0.00 0.00 1.25 3.57 -0.24 -3.27 116.94 119.10 3i3t h PHE 423 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3i3t h PHE 423 Cb -0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3i3t h PHE 423 CO -0.00 0.13 -1.56 2.41 -2.23 0.00 0.00 178.31 177.06 3i3t n THR 424 N -3.90 0.00 -1.58 4.41 -1.04 -0.15 -4.35 114.28 107.68 3i3t n THR 424 Ca -0.02 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 3i3t n THR 424 Cb 0.23 0.28 -0.01 0.00 -1.82 0.00 0.00 70.33 69.01 3i3t n THR 424 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i3t n LYS 425 N -1.93 1.24 -2.20 -2.82 4.81 0.51 -4.34 118.16 113.41 3i3t n LYS 425 Ca -0.02 0.44 -0.43 0.00 -0.87 0.00 0.00 58.31 57.43 3i3t n LYS 425 Cb 0.38 -1.84 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 3i3t n LYS 425 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i3t s GLU 426 N -1.67 3.76 0.00 1.64 8.01 -1.26 -4.52 118.70 124.67 3i3t s GLU 426 Ca 0.60 1.46 0.01 0.00 0.01 0.00 0.00 54.97 57.05 3i3t s GLU 426 Cb -0.66 -4.01 -0.04 0.00 -4.31 0.00 0.00 34.13 25.12 3i3t s GLU 426 CO 0.59 -1.33 0.03 -1.21 0.01 0.00 0.00 175.26 173.35 3i3t s GLU 427 N 4.67 2.88 -0.14 1.61 2.02 -0.77 -4.91 118.70 124.06 3i3t s GLU 427 Ca 0.67 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.79 3i3t s GLU 427 Cb -0.21 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 3i3t s GLU 427 CO 0.28 0.63 1.19 -1.21 0.02 0.00 0.00 175.26 176.17 3i3t s GLU 428 N -1.69 4.28 -0.34 1.61 2.02 -1.26 -1.52 118.70 121.81 3i3t s GLU 428 Ca 0.21 1.59 -0.11 0.00 0.02 0.00 0.00 54.97 56.69 3i3t s GLU 428 Cb -0.12 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.44 3i3t s GLU 428 CO 0.12 -0.60 0.19 -0.51 0.02 0.00 0.00 175.26 174.48 3i3t s LEU 429 N 3.00 4.40 0.08 1.80 1.43 0.37 -4.98 118.68 124.78 3i3t s LEU 429 Ca 0.53 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3i3t s LEU 429 Cb -0.21 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3i3t s LEU 429 CO 0.15 -0.27 0.05 -1.83 0.23 0.00 0.00 176.35 174.68 3i3t s GLU 430 N 1.61 0.76 6.08 1.70 -1.05 -1.26 -1.78 118.70 124.76 3i3t s GLU 430 Ca 0.04 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 3i3t s GLU 430 Cb -0.18 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 3i3t s GLU 430 CO 0.07 -0.19 0.00 -1.13 0.95 0.00 0.00 175.26 174.96 3i3t n SER 431 N 0.01 0.00 0.16 0.83 3.41 -1.26 -2.33 113.62 114.44 3i3t n SER 431 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 3i3t n SER 431 Cb 0.62 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.14 3i3t n SER 431 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3i3t n GLU 432 N 14.00 0.14 0.00 4.33 -0.00 -1.26 -0.92 120.64 136.93 3i3t n GLU 432 Ca 0.00 0.63 0.12 0.00 -0.00 0.00 0.00 57.16 57.91 3i3t n GLU 432 Cb 0.00 -1.96 0.16 0.00 -0.00 0.00 0.00 31.44 29.64 3i3t n GLU 432 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i3t n ASN 433 N -2.24 1.70 -4.69 -1.84 3.02 -0.99 -4.92 115.26 105.30 3i3t n ASN 433 Ca -0.01 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.80 3i3t n ASN 433 Cb 0.04 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3i3t n ASN 433 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i3t s ALA 434 N -2.44 3.69 0.48 5.41 0.00 -0.09 -4.28 121.76 124.52 3i3t s ALA 434 Ca 0.22 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 3i3t s ALA 434 Cb 0.19 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3i3t s ALA 434 CO 0.53 -1.05 0.98 -1.25 0.00 0.00 0.00 175.76 174.97 3i3t s PRO 435 N 2.43 4.02 -0.20 0.00 0.04 -1.26 -4.91 135.00 135.12 3i3t s PRO 435 Ca 0.73 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 3i3t s PRO 435 Cb -0.40 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3i3t s PRO 435 CO 0.32 -0.21 1.26 0.14 0.04 0.00 0.00 177.00 178.54 3i3t s VAL 436 N -2.35 4.27 0.64 -0.36 -7.23 -1.26 -4.51 120.40 109.60 3i3t s VAL 436 Ca 0.61 1.52 -0.18 0.00 -1.81 0.00 0.00 61.98 62.12 3i3t s VAL 436 Cb -0.10 -4.06 -0.01 0.00 0.56 0.00 0.00 36.38 32.76 3i3t s VAL 436 CO 0.22 -0.22 1.26 0.00 -0.31 0.00 0.00 175.10 176.05 3i3t h ASP 438 N 0.57 0.00 0.00 0.00 3.32 -1.94 -2.60 116.42 115.77 3i3t h ASP 438 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3i3t h ASP 438 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3i3t h ASP 438 CO 0.53 0.79 0.00 0.54 -1.72 0.00 0.00 179.24 179.38 3i3t n ARG 439 N -3.23 0.00 0.20 3.56 5.12 -1.26 -4.48 116.66 116.56 3i3t n ARG 439 Ca -0.02 0.44 0.14 0.00 -1.93 0.00 0.00 57.85 56.48 3i3t n ARG 439 Cb 0.87 -0.95 0.50 0.00 -1.16 0.00 0.00 32.46 31.72 3i3t n ARG 439 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i3t n ARG 441 N -2.70 -2.32 -4.37 0.00 1.74 -0.98 -5.01 116.66 103.03 3i3t n ARG 441 Ca 0.02 0.94 -0.21 0.00 -0.77 0.00 0.00 57.85 57.84 3i3t n ARG 441 Cb 0.34 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 26.09 3i3t n ARG 441 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i3t s GLN 442 N -5.14 1.40 -0.98 5.56 0.74 -1.26 -4.83 119.66 115.15 3i3t s GLN 442 Ca 0.07 -1.58 -0.04 0.00 0.05 0.00 0.00 55.36 53.86 3i3t s GLN 442 Cb -0.03 -1.36 0.13 0.00 1.10 0.00 0.00 33.01 32.85 3i3t s GLN 442 CO 0.08 0.25 2.45 1.63 -0.55 0.00 0.00 175.29 179.16 3i3t n LYS 443 N -0.23 3.85 -2.52 1.67 5.02 -1.26 -2.73 118.16 121.96 3i3t n LYS 443 Ca -0.09 -3.20 -0.24 0.00 -2.02 0.00 0.00 58.31 52.77 3i3t n LYS 443 Cb 0.59 -2.43 0.11 0.00 -0.02 0.00 0.00 35.03 33.28 3i3t n LYS 443 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3i3t s THR 444 N -2.01 2.17 0.36 -0.18 -1.32 -1.26 -4.80 115.64 108.61 3i3t s THR 444 Ca 0.54 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 60.24 3i3t s THR 444 Cb 0.27 -2.64 -0.13 0.00 -1.51 0.00 0.00 72.50 68.49 3i3t s THR 444 CO -0.16 0.00 0.79 0.54 -2.21 0.00 0.00 174.62 173.59 3i3t n ARG 445 N -2.87 0.93 -4.17 7.08 1.74 -1.26 -4.65 116.66 113.46 3i3t n ARG 445 Ca 0.14 0.33 -0.10 0.00 -0.77 0.00 0.00 57.85 57.45 3i3t n ARG 445 Cb 0.60 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 3i3t n ARG 445 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3i3t s SER 446 N -0.79 0.41 -0.05 0.55 0.01 -0.74 -1.55 113.70 111.54 3i3t s SER 446 Ca 0.62 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3i3t s SER 446 Cb -0.65 0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.88 3i3t s SER 446 CO 0.58 -0.72 -0.07 -0.89 0.41 0.00 0.00 173.24 172.55 3i3t s THR 447 N -4.01 0.72 -0.05 1.44 2.01 0.39 -0.48 115.64 115.66 3i3t s THR 447 Ca 0.26 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3i3t s THR 447 Cb 0.07 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 3i3t s THR 447 CO 0.03 0.27 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.28 3i3t s LYS 448 N 0.85 2.10 -0.10 4.92 2.20 -0.57 0.27 119.74 129.40 3i3t s LYS 448 Ca -0.12 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 3i3t s LYS 448 Cb -0.15 -1.80 0.04 0.00 -1.51 0.00 0.00 37.83 34.42 3i3t s LYS 448 CO 0.01 0.29 0.23 0.21 -0.36 0.00 0.00 175.35 175.73 3i3t s LYS 449 N -0.01 0.20 -0.12 4.03 2.20 -0.96 -1.85 119.74 123.22 3i3t s LYS 449 Ca -0.04 0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 56.01 3i3t s LYS 449 Cb -0.13 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 3i3t s LYS 449 CO 0.03 -0.15 0.06 -0.51 -0.36 0.00 0.00 175.35 174.42 3i3t s LEU 450 N 1.17 3.91 0.05 5.43 1.02 -1.25 -2.30 118.68 126.71 3i3t s LEU 450 Ca -0.09 0.23 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 3i3t s LEU 450 Cb -0.10 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 3i3t s LEU 450 CO -0.08 0.33 -0.03 0.42 0.02 0.00 0.00 176.35 177.01 3i3t s THR 451 N -0.59 0.23 -0.25 5.49 -4.23 -0.32 -4.39 115.64 111.58 3i3t s THR 451 Ca 0.11 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 58.73 3i3t s THR 451 Cb -0.12 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 3i3t s THR 451 CO 0.02 -0.93 0.59 -0.69 -0.54 0.00 0.00 174.62 173.08 3i3t s VAL 452 N -3.58 5.01 -0.08 2.29 1.01 0.19 -1.11 120.40 124.14 3i3t s VAL 452 Ca 0.04 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 3i3t s VAL 452 Cb 0.05 -3.90 -0.29 0.00 0.00 0.00 0.00 36.38 32.24 3i3t s VAL 452 CO -0.09 0.05 0.68 -0.61 0.00 0.00 0.00 175.10 175.13 3i3t h GLN 453 N 7.92 0.29 -4.28 2.72 5.75 -1.52 -2.19 115.11 123.82 3i3t h GLN 453 Ca -0.28 -0.50 -0.40 0.00 -0.15 0.00 0.00 58.65 57.33 3i3t h GLN 453 Cb 1.13 0.19 -0.32 0.00 1.07 0.00 0.00 27.48 29.55 3i3t h GLN 453 CO 0.75 1.24 -0.77 1.03 -2.65 0.00 0.00 178.83 178.43 3i3t s ARG 454 N -2.48 0.79 -0.10 1.69 0.52 -0.91 -4.72 118.95 113.73 3i3t s ARG 454 Ca -0.17 -0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 3i3t s ARG 454 Cb 0.04 -0.77 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 3i3t s ARG 454 CO 0.80 0.03 0.04 -0.06 0.02 0.00 0.00 175.30 176.13 3i3t s PHE 455 N 0.44 3.26 0.58 -0.53 0.40 -1.26 -2.03 117.98 118.84 3i3t s PHE 455 Ca -0.06 0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.46 3i3t s PHE 455 Cb -0.10 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.59 3i3t s PHE 455 CO 0.00 0.49 0.88 -1.25 0.70 0.00 0.00 175.22 176.04 3i3t s PRO 456 N -0.78 2.84 0.14 0.24 0.04 -1.26 -4.91 135.00 131.32 3i3t s PRO 456 Ca 0.12 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 60.88 3i3t s PRO 456 Cb -0.12 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3i3t s PRO 456 CO 0.02 -0.70 1.63 0.00 0.04 0.00 0.00 177.00 178.00 3i3t h ARG 457 N -0.13 0.74 -4.89 4.56 3.08 -1.55 -3.40 114.38 112.78 3i3t h ARG 457 Ca -0.45 -0.19 -0.67 0.00 0.07 0.00 0.00 59.98 58.74 3i3t h ARG 457 Cb 1.26 -0.09 -0.27 0.00 0.08 0.00 0.00 29.97 30.95 3i3t h ARG 457 CO 0.60 0.74 -0.67 0.42 -1.07 0.00 0.00 179.97 179.99 3i3t s ILE 458 N -5.25 3.64 -0.14 2.04 -1.09 0.99 -1.86 121.20 119.53 3i3t s ILE 458 Ca -0.13 -0.65 -0.19 0.00 -2.23 0.00 0.00 60.65 57.45 3i3t s ILE 458 Cb 0.11 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3i3t s ILE 458 CO 0.79 0.22 0.54 -0.22 -1.23 0.00 0.00 174.94 175.03 3i3t s LEU 459 N 1.47 4.24 -0.21 2.97 0.20 0.14 -4.34 118.68 123.15 3i3t s LEU 459 Ca 0.03 0.84 -0.01 0.00 0.69 0.00 0.00 54.13 55.68 3i3t s LEU 459 Cb -0.16 -2.77 0.01 0.00 -0.43 0.00 0.00 46.19 42.84 3i3t s LEU 459 CO -0.00 -0.09 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.16 3i3t s VAL 460 N 1.04 2.69 -0.13 1.68 1.01 -1.26 0.05 120.40 125.48 3i3t s VAL 460 Ca 0.27 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3i3t s VAL 460 Cb -0.16 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3i3t s VAL 460 CO 0.11 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.79 3i3t s LEU 461 N 1.37 2.88 -0.28 3.92 1.43 0.01 -0.66 118.68 127.34 3i3t s LEU 461 Ca 0.04 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3i3t s LEU 461 Cb -0.14 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3i3t s LEU 461 CO -0.08 0.19 0.01 -2.28 0.23 0.00 0.00 176.35 174.42 3i3t s HIS 462 N 0.21 3.16 -0.39 0.29 5.65 0.13 0.09 115.29 124.44 3i3t s HIS 462 Ca -0.06 -1.49 -0.29 0.00 0.25 0.00 0.00 55.06 53.46 3i3t s HIS 462 Cb -0.15 -2.14 0.01 0.00 -1.18 0.00 0.00 32.58 29.12 3i3t s HIS 462 CO 0.04 -0.72 1.40 -0.51 -0.65 0.00 0.00 174.74 174.30 3i3t s LEU 463 N 1.35 3.64 -1.46 8.88 1.43 0.22 0.40 118.68 133.15 3i3t s LEU 463 Ca -0.01 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 53.87 3i3t s LEU 463 Cb -0.18 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3i3t s LEU 463 CO -0.01 -1.37 2.47 -3.20 0.23 0.00 0.00 176.35 174.47 3i3t n ASN 464 N 8.60 5.55 -2.66 2.29 4.05 0.78 -4.79 115.26 129.08 3i3t n ASN 464 Ca 0.16 -2.72 -0.14 0.00 0.45 0.00 0.00 54.58 52.33 3i3t n ASN 464 Cb 0.48 -1.58 -0.06 0.00 1.23 0.00 0.00 39.78 39.85 3i3t n ASN 464 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3i3t n ARG 465 N 5.20 1.57 -4.08 1.20 1.74 -1.26 -4.59 116.66 116.45 3i3t n ARG 465 Ca 0.61 -0.98 -0.13 0.00 -0.77 0.00 0.00 57.85 56.58 3i3t n ARG 465 Cb 0.33 -2.09 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 3i3t n ARG 465 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i3t s PHE 466 N 2.58 0.63 -0.03 -1.55 0.08 -1.26 -1.26 117.98 117.17 3i3t s PHE 466 Ca 0.39 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.02 3i3t s PHE 466 Cb 0.14 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.22 3i3t s PHE 466 CO -0.02 -0.07 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.44 3i3t s SER 467 N -1.32 0.90 0.45 1.36 1.04 -0.53 -4.79 113.70 110.80 3i3t s SER 467 Ca -0.08 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.26 3i3t s SER 467 Cb -0.09 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.75 3i3t s SER 467 CO 0.00 -0.00 0.35 0.00 0.98 0.00 0.00 173.24 174.57 3i3t n ALA 468 N 3.64 0.71 0.00 5.32 0.00 -1.26 -1.89 120.51 127.02 3i3t n ALA 468 Ca -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3i3t n ALA 468 Cb 0.53 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.72 3i3t n ALA 468 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3t n SER 469 N -1.89 0.00 0.07 0.00 2.88 -1.17 -4.96 113.62 108.55 3i3t n SER 469 Ca -0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.50 3i3t n SER 469 Cb 0.51 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 3i3t n SER 469 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3i3t h ARG 470 N 0.00 -0.17 -0.30 -1.46 -0.00 -2.06 -3.36 114.38 107.04 3i3t h ARG 470 Ca 0.00 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.56 3i3t h ARG 470 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 29.97 29.93 3i3t h ARG 470 CO 0.00 -0.11 -0.23 0.78 0.00 0.00 0.00 179.97 180.41 3i3t h GLY 471 N -0.18 -0.09 -1.67 0.04 0.00 -2.04 -3.47 103.07 95.66 3i3t h GLY 471 Ca -0.02 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3i3t h GLY 471 CO 0.03 -0.20 0.04 -1.35 0.00 0.00 0.00 176.54 175.06 3i3t s SER 472 N -5.07 0.21 -0.05 0.19 1.04 -1.26 -5.17 113.70 103.60 3i3t s SER 472 Ca -0.15 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.20 3i3t s SER 472 Cb 0.13 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 3i3t s SER 472 CO 0.68 -1.40 -0.12 -0.63 0.98 0.00 0.00 173.24 172.75 3i3t s ILE 473 N -3.15 3.22 0.06 -1.02 1.09 -1.26 -3.06 121.20 117.07 3i3t s ILE 473 Ca 0.21 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 59.10 3i3t s ILE 473 Cb -0.03 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 39.06 3i3t s ILE 473 CO 0.13 0.58 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.95 3i3t s LYS 474 N -0.78 0.65 0.28 2.79 -0.14 -0.79 -4.95 119.74 116.80 3i3t s LYS 474 Ca 0.12 -1.03 -0.29 0.00 -1.36 0.00 0.00 55.97 53.40 3i3t s LYS 474 Cb -0.11 -0.18 -0.10 0.00 -1.68 0.00 0.00 37.83 35.76 3i3t s LYS 474 CO 0.01 0.00 1.25 0.21 -0.76 0.00 0.00 175.35 176.06 3i3t s LYS 475 N -2.73 4.44 -0.06 1.68 2.20 -1.26 -1.46 119.74 122.55 3i3t s LYS 475 Ca 0.00 2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 57.42 3i3t s LYS 475 Cb -0.02 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3i3t s LYS 475 CO -0.03 -0.09 0.82 -1.12 -0.36 0.00 0.00 175.35 174.57 3i3t s SER 476 N -0.39 7.11 0.00 1.43 0.01 -0.39 -4.82 113.70 116.65 3i3t s SER 476 Ca 0.50 1.35 0.24 0.00 1.31 0.00 0.00 55.95 59.34 3i3t s SER 476 Cb -0.37 -2.47 0.22 0.00 0.21 0.00 0.00 66.02 63.61 3i3t s SER 476 CO 0.46 -0.22 1.28 -1.20 0.41 0.00 0.00 173.24 173.97 3i3t n SER 477 N 4.09 3.06 -3.07 2.44 7.64 -1.26 -4.85 113.62 121.67 3i3t n SER 477 Ca 0.02 -1.99 -0.44 0.00 1.01 0.00 0.00 58.87 57.47 3i3t n SER 477 Cb 0.51 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 3i3t n SER 477 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i3t n VAL 478 N 1.36 0.00 -1.67 0.44 0.31 -1.26 -4.80 118.33 112.72 3i3t n VAL 478 Ca 0.15 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 64.02 3i3t n VAL 478 Cb 0.60 -0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 33.15 3i3t n VAL 478 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3t n GLY 479 N 4.08 0.96 3.03 2.92 0.00 -1.26 -5.00 105.19 109.92 3i3t n GLY 479 Ca 0.30 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 3i3t n GLY 479 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3t s VAL 480 N 0.51 1.61 -0.43 1.61 1.01 -1.26 -4.40 120.40 119.05 3i3t s VAL 480 Ca 0.75 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 3i3t s VAL 480 Cb -0.68 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3i3t s VAL 480 CO 0.43 0.47 0.88 -0.62 0.00 0.00 0.00 175.10 176.25 3i3t s ASP 481 N 1.43 6.52 -0.01 3.32 3.68 -0.59 -4.88 116.67 126.13 3i3t s ASP 481 Ca 0.04 0.17 0.08 0.00 2.13 0.00 0.00 52.55 54.97 3i3t s ASP 481 Cb -0.13 -2.43 -0.02 0.00 -1.45 0.00 0.00 42.92 38.89 3i3t s ASP 481 CO -0.10 -0.95 -0.25 0.72 0.13 0.00 0.00 175.17 174.72 3i3t s PHE 482 N 3.54 2.19 0.55 -5.34 -0.12 -1.26 -0.25 117.98 117.29 3i3t s PHE 482 Ca 0.35 -0.41 -0.20 0.00 -0.05 0.00 0.00 56.93 56.62 3i3t s PHE 482 Cb -0.11 -1.40 -0.05 0.00 -0.63 0.00 0.00 43.02 40.83 3i3t s PHE 482 CO 0.23 -0.02 1.18 -2.14 -0.05 0.00 0.00 175.22 174.43 3i3t s PRO 483 N -0.65 3.25 -0.15 1.99 0.02 -1.26 -4.96 135.00 133.25 3i3t s PRO 483 Ca 0.10 1.77 0.12 0.00 0.02 0.00 0.00 61.00 63.01 3i3t s PRO 483 Cb -0.09 -2.06 -0.24 0.00 0.02 0.00 0.00 34.50 32.13 3i3t s PRO 483 CO -0.01 -0.97 0.25 1.28 -0.33 0.00 0.00 177.00 177.23 3i3t n LEU 484 N -1.26 0.85 -0.01 -5.54 4.32 -1.26 -4.63 117.00 109.48 3i3t n LEU 484 Ca 0.12 0.14 -0.01 0.00 -0.02 0.00 0.00 56.01 56.23 3i3t n LEU 484 Cb 0.49 0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 42.38 3i3t n LEU 484 CO 0.45 0.54 -0.54 0.00 -1.22 0.00 0.00 177.39 176.62 3i3t n GLN 485 N -2.97 0.03 -3.86 3.23 1.13 -1.26 -1.58 117.38 112.10 3i3t n GLN 485 Ca -0.29 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.48 3i3t n GLN 485 Cb 1.10 -0.93 -0.14 0.00 0.11 0.00 0.00 30.24 30.37 3i3t n GLN 485 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3i3t s ARG 486 N -2.02 1.72 -0.13 -1.09 3.52 -1.26 -4.22 118.95 115.46 3i3t s ARG 486 Ca -0.02 -2.39 -0.11 0.00 -0.13 0.00 0.00 55.73 53.08 3i3t s ARG 486 Cb 0.00 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 3i3t s ARG 486 CO 0.03 -1.13 0.23 -1.17 -0.81 0.00 0.00 175.30 172.45 3i3t s LEU 487 N -0.05 4.32 -0.21 -0.88 2.96 0.27 -4.82 118.68 120.27 3i3t s LEU 487 Ca 0.17 0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 3i3t s LEU 487 Cb -0.25 -2.25 0.07 0.00 0.50 0.00 0.00 46.19 44.26 3i3t s LEU 487 CO 0.00 0.25 0.10 -0.55 -1.32 0.00 0.00 176.35 174.83 3i3t s SER 488 N -0.26 2.79 -0.19 3.68 0.15 -1.26 0.96 113.70 119.58 3i3t s SER 488 Ca 0.15 -0.86 0.14 0.00 0.70 0.00 0.00 55.95 56.09 3i3t s SER 488 Cb -0.13 -0.29 0.39 0.00 -1.71 0.00 0.00 66.02 64.28 3i3t s SER 488 CO 0.04 -0.38 1.25 0.00 1.20 0.00 0.00 173.24 175.35 3i3t n LEU 489 N 5.26 2.88 -0.32 3.45 -0.00 -1.10 -4.77 117.00 122.40 3i3t n LEU 489 Ca -0.07 -3.48 0.17 0.00 -0.00 0.00 0.00 56.01 52.64 3i3t n LEU 489 Cb 0.46 -0.51 0.34 0.00 -0.00 0.00 0.00 43.42 43.72 3i3t n LEU 489 CO 0.08 1.04 0.91 1.23 -0.00 0.00 0.00 177.39 180.65 3i3t h GLY 490 N 0.69 1.48 1.20 1.47 0.00 -1.87 0.64 103.07 106.69 3i3t h GLY 490 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3i3t h GLY 490 CO 0.08 -0.50 0.25 1.22 0.00 0.00 0.00 176.54 177.59 3i3t n ASP 491 N -5.33 0.18 -0.20 0.19 9.92 -1.26 -1.22 116.55 118.83 3i3t n ASP 491 Ca 0.25 0.44 0.02 0.00 -0.53 0.00 0.00 54.79 54.97 3i3t n ASP 491 Cb 0.82 -0.41 0.02 0.00 -0.64 0.00 0.00 41.12 40.91 3i3t n ASP 491 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i3t n PHE 492 N -1.71 0.01 -2.52 1.24 3.72 0.21 -5.04 117.46 113.38 3i3t n PHE 492 Ca -0.00 -0.02 -0.23 0.00 -0.05 0.00 0.00 57.45 57.14 3i3t n PHE 492 Cb 0.26 -0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.93 3i3t n PHE 492 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3t n ALA 493 N 0.26 -0.01 -2.33 4.37 0.00 -0.36 -0.64 120.51 121.80 3i3t n ALA 493 Ca 0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 53.44 51.55 3i3t n ALA 493 Cb 0.13 0.27 0.06 0.00 0.00 0.00 0.00 19.45 19.91 3i3t n ALA 493 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i3t n SER 494 N -3.02 2.45 -3.72 0.00 3.41 -0.82 -4.72 113.62 107.20 3i3t n SER 494 Ca 0.16 -2.82 -0.30 0.00 -0.26 0.00 0.00 58.87 55.65 3i3t n SER 494 Cb 0.57 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3i3t n SER 494 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i3t s SER 499 N -3.30 3.74 0.31 4.04 1.04 -1.26 -5.11 113.70 113.16 3i3t s SER 499 Ca 0.37 -2.47 -0.29 0.00 0.48 0.00 0.00 55.95 54.04 3i3t s SER 499 Cb 0.37 -1.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.36 3i3t s SER 499 CO -0.05 -0.29 1.21 -2.16 0.98 0.00 0.00 173.24 172.93 3i3t s PRO 500 N 0.55 4.49 -0.11 4.02 0.04 -1.26 -4.78 135.00 137.95 3i3t s PRO 500 Ca 0.16 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.25 3i3t s PRO 500 Cb -0.23 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3i3t s PRO 500 CO -0.03 0.00 -0.21 0.08 0.04 0.00 0.00 177.00 176.89 3i3t s VAL 501 N -1.15 1.85 0.27 -0.36 1.01 -1.26 -2.72 120.40 118.04 3i3t s VAL 501 Ca 0.47 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3i3t s VAL 501 Cb -0.36 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3i3t s VAL 501 CO 0.47 0.51 -0.08 -0.31 0.00 0.00 0.00 175.10 175.70 3i3t s TYR 502 N 0.62 2.54 -0.02 5.22 2.02 0.27 0.49 117.35 128.50 3i3t s TYR 502 Ca -0.13 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3i3t s TYR 502 Cb -0.17 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 3i3t s TYR 502 CO 0.03 0.66 -0.04 -1.14 -1.57 0.00 0.00 175.55 173.50 3i3t s GLN 503 N -3.61 0.46 0.23 -0.62 0.74 -0.61 -0.56 119.66 115.68 3i3t s GLN 503 Ca 0.31 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 3i3t s GLN 503 Cb -0.06 -0.49 -0.09 0.00 1.10 0.00 0.00 33.01 33.48 3i3t s GLN 503 CO 0.18 0.02 1.15 -1.17 -0.55 0.00 0.00 175.29 174.91 3i3t s LEU 504 N 0.33 4.50 0.00 3.68 2.96 -0.62 -1.20 118.68 128.33 3i3t s LEU 504 Ca -0.03 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3i3t s LEU 504 Cb -0.07 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3i3t s LEU 504 CO -0.00 -0.26 0.12 0.00 -1.32 0.00 0.00 176.35 174.88 3i3t n TYR 505 N 1.85 0.00 -3.64 5.38 4.11 -0.56 -4.89 117.16 119.41 3i3t n TYR 505 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.87 3i3t n TYR 505 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.73 3i3t n TYR 505 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3i3t s ALA 506 N -0.26 -2.12 0.04 -3.48 0.00 -1.24 -0.24 121.76 114.46 3i3t s ALA 506 Ca 0.00 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.73 3i3t s ALA 506 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3i3t s ALA 506 CO 0.00 -0.18 -0.06 -0.51 0.00 0.00 0.00 175.76 175.01 3i3t s LEU 507 N -0.27 2.30 -0.21 0.00 1.02 -0.28 -0.47 118.68 120.76 3i3t s LEU 507 Ca 0.06 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.51 3i3t s LEU 507 Cb -0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.09 3i3t s LEU 507 CO -0.10 -0.29 0.07 0.00 0.02 0.00 0.00 176.35 176.05 3i3t s ASN 509 N 0.83 4.29 -0.04 0.00 3.84 -0.22 0.13 114.94 123.77 3i3t s ASN 509 Ca 0.04 -0.26 0.03 0.00 0.21 0.00 0.00 52.86 52.88 3i3t s ASN 509 Cb -0.14 -0.89 0.01 0.00 -0.55 0.00 0.00 41.25 39.68 3i3t s ASN 509 CO 0.02 0.27 -0.11 -2.28 -2.79 0.00 0.00 177.10 172.21 3i3t s HIS 510 N -0.97 1.24 -0.24 0.43 5.65 -1.26 -1.61 115.29 118.53 3i3t s HIS 510 Ca 0.16 -0.38 -0.00 0.00 0.25 0.00 0.00 55.06 55.09 3i3t s HIS 510 Cb -0.11 -0.90 0.07 0.00 -1.18 0.00 0.00 32.58 30.46 3i3t s HIS 510 CO 0.07 -0.18 0.01 0.45 -0.65 0.00 0.00 174.74 174.43 3i3t s SER 511 N 0.41 3.63 0.00 9.88 0.15 -0.58 -4.90 113.70 122.29 3i3t s SER 511 Ca -0.08 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.37 3i3t s SER 511 Cb -0.12 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 3i3t s SER 511 CO 0.02 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3i3t n GLY 512 N 4.80 -0.36 0.00 9.45 0.00 -1.26 -0.49 105.19 117.33 3i3t n GLY 512 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3i3t n GLY 512 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i3t n SER 513 N 0.00 1.92 0.26 1.61 3.41 0.19 -4.95 113.62 116.05 3i3t n SER 513 Ca 0.00 -0.86 0.08 0.00 -0.26 0.00 0.00 58.87 57.83 3i3t n SER 513 Cb 0.00 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.59 3i3t n SER 513 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3i3t h VAL 514 N 0.86 1.00 0.00 -3.33 2.07 -1.93 -2.75 116.25 112.17 3i3t h VAL 514 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i3t h VAL 514 Cb 0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3i3t h VAL 514 CO 0.00 0.01 -1.50 1.41 0.02 0.00 0.00 177.57 177.51 3i3t n HIS 515 N -4.52 0.18 -3.56 1.57 8.25 -1.26 -4.99 115.22 110.88 3i3t n HIS 515 Ca -0.03 0.05 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3i3t n HIS 515 Cb 0.10 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 30.71 3i3t n HIS 515 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3i3t s TYR 516 N -3.34 -0.38 -3.93 4.41 -0.85 -1.04 -4.97 117.35 107.25 3i3t s TYR 516 Ca -0.02 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 3i3t s TYR 516 Cb 0.14 0.37 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3i3t s TYR 516 CO 0.86 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 3i3t n GLY 517 N -0.00 -0.54 3.00 5.49 0.00 -1.26 -0.64 105.19 111.24 3i3t n GLY 517 Ca -0.17 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3i3t n GLY 517 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3t s HIS 518 N -3.71 0.51 -0.02 1.61 2.46 0.36 -4.95 115.29 111.53 3i3t s HIS 518 Ca 0.00 -0.32 0.02 0.00 0.47 0.00 0.00 55.06 55.23 3i3t s HIS 518 Cb 0.00 -0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.10 3i3t s HIS 518 CO 0.00 -0.06 -0.06 0.71 -2.47 0.00 0.00 174.74 172.86 3i3t s TYR 519 N -0.84 2.93 0.20 3.88 2.02 -1.26 -1.52 117.35 122.76 3i3t s TYR 519 Ca -0.06 -0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 3i3t s TYR 519 Cb -0.06 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.79 3i3t s TYR 519 CO 0.00 0.37 -0.04 0.95 -1.57 0.00 0.00 175.55 175.25 3i3t s THR 520 N -0.93 1.12 0.03 -0.71 -4.23 -0.63 -4.76 115.64 105.51 3i3t s THR 520 Ca 0.15 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 3i3t s THR 520 Cb -0.11 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 3i3t s THR 520 CO 0.05 -0.48 -0.21 0.00 -0.54 0.00 0.00 174.62 173.45 3i3t s ALA 521 N -3.36 2.46 -0.14 3.99 0.00 -0.88 -1.06 121.76 122.76 3i3t s ALA 521 Ca 0.24 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i3t s ALA 521 Cb 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3i3t s ALA 521 CO 0.06 0.55 -0.20 -0.51 0.00 0.00 0.00 175.76 175.67 3i3t s LEU 522 N -1.21 2.01 0.02 0.00 1.43 -0.37 -0.96 118.68 119.60 3i3t s LEU 522 Ca 0.13 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3i3t s LEU 522 Cb -0.10 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3i3t s LEU 522 CO 0.03 0.04 -0.14 0.00 0.23 0.00 0.00 176.35 176.52 3i3t s ARG 524 N -0.80 4.46 0.00 0.00 3.52 0.66 -1.71 118.95 125.09 3i3t s ARG 524 Ca 0.03 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3i3t s ARG 524 Cb -0.07 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3i3t s ARG 524 CO 0.01 0.26 0.00 0.00 -0.81 0.00 0.00 175.30 174.75 3i3t h GLN 526 N 0.00 0.33 -0.68 0.00 4.20 -2.03 -3.13 115.11 113.80 3i3t h GLN 526 Ca 0.00 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.33 3i3t h GLN 526 Cb 0.00 -0.07 -0.21 0.00 0.30 0.00 0.00 27.48 27.49 3i3t h GLN 526 CO 0.00 0.22 0.29 0.25 -0.67 0.00 0.00 178.83 178.92 3i3t n THR 527 N -4.49 2.90 0.00 -0.54 -2.24 -1.26 -5.06 114.28 103.59 3i3t n THR 527 Ca 0.03 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 3i3t n THR 527 Cb 0.16 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3i3t n THR 527 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3t n GLY 528 N -1.14 -1.40 3.86 3.38 0.00 -1.18 -5.05 105.19 103.66 3i3t n GLY 528 Ca 0.47 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 3i3t n GLY 528 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i3t s TRP 529 N 0.00 3.17 -0.00 1.61 0.52 -1.26 -1.34 118.94 121.64 3i3t s TRP 529 Ca 0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 56.10 55.97 3i3t s TRP 529 Cb 0.00 -1.46 -0.00 0.00 -1.15 0.00 0.00 33.47 30.86 3i3t s TRP 529 CO 0.00 0.49 0.09 -1.01 0.02 0.00 0.00 176.95 176.54 3i3t s HIS 530 N -2.11 0.07 0.17 -1.98 3.76 -0.69 -2.96 115.29 111.55 3i3t s HIS 530 Ca 0.33 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 55.01 3i3t s HIS 530 Cb -0.08 -0.07 -0.06 0.00 1.11 0.00 0.00 32.58 33.48 3i3t s HIS 530 CO 0.26 -0.21 0.47 0.08 -0.85 0.00 0.00 174.74 174.48 3i3t s VAL 531 N -1.11 5.03 -0.16 -0.90 1.01 0.41 -1.18 120.40 123.51 3i3t s VAL 531 Ca -0.12 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 3i3t s VAL 531 Cb -0.07 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.72 3i3t s VAL 531 CO 0.01 0.04 -0.06 -0.31 0.00 0.00 0.00 175.10 174.78 3i3t s TYR 532 N -1.68 1.67 -0.54 5.22 1.51 -0.13 -2.00 117.35 121.41 3i3t s TYR 532 Ca 0.42 -1.03 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 3i3t s TYR 532 Cb -0.12 -1.31 0.15 0.00 -0.11 0.00 0.00 41.96 40.58 3i3t s TYR 532 CO 0.22 -0.60 0.35 1.21 -1.11 0.00 0.00 175.55 175.62 3i3t s ASN 533 N 1.64 3.70 1.02 2.29 2.47 0.13 -2.07 114.94 124.13 3i3t s ASN 533 Ca 0.01 -3.19 0.00 0.00 0.42 0.00 0.00 52.86 50.10 3i3t s ASN 533 Cb -0.15 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 3i3t s ASN 533 CO -0.08 -0.18 0.00 0.47 -3.72 0.00 0.00 177.10 173.59 3i3t n ASP 534 N 2.80 0.00 0.00 -4.21 8.00 -1.26 -0.93 116.55 120.95 3i3t n ASP 534 Ca 0.16 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.77 3i3t n ASP 534 Cb 0.37 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.99 3i3t n ASP 534 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i3t n SER 535 N 6.51 0.00 -4.46 -2.24 3.41 -0.19 -1.98 113.62 114.67 3i3t n SER 535 Ca 0.00 0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.33 3i3t n SER 535 Cb 0.00 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.51 3i3t n SER 535 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i3t s ARG 536 N -2.63 3.62 -0.02 4.33 3.52 -0.11 -4.34 118.95 123.31 3i3t s ARG 536 Ca 0.19 -0.54 0.07 0.00 -0.13 0.00 0.00 55.73 55.32 3i3t s ARG 536 Cb 0.14 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 3i3t s ARG 536 CO 0.33 0.12 -0.24 0.08 -0.81 0.00 0.00 175.30 174.78 3i3t s VAL 537 N 0.69 1.93 -0.14 7.11 1.01 -1.26 0.18 120.40 129.92 3i3t s VAL 537 Ca -0.02 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 3i3t s VAL 537 Cb -0.14 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.69 3i3t s VAL 537 CO 0.02 0.55 0.63 -0.94 0.00 0.00 0.00 175.10 175.35 3i3t s SER 538 N -0.53 -0.62 0.69 3.32 1.04 -0.85 -5.01 113.70 111.75 3i3t s SER 538 Ca 0.08 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.27 3i3t s SER 538 Cb -0.10 0.88 0.00 0.00 0.10 0.00 0.00 66.02 66.90 3i3t s SER 538 CO -0.01 -0.42 1.09 -2.65 0.98 0.00 0.00 173.24 172.24 3i3t n PRO 539 N 1.79 0.70 -3.68 4.02 -0.02 -1.26 -0.44 135.00 136.10 3i3t n PRO 539 Ca -0.17 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3i3t n PRO 539 Cb 0.56 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 3i3t n PRO 539 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i3t s VAL 540 N -1.68 -0.00 0.91 -1.45 0.11 -1.15 -4.69 120.40 112.44 3i3t s VAL 540 Ca 0.77 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.70 3i3t s VAL 540 Cb -0.36 -0.76 0.14 0.00 -1.53 0.00 0.00 36.38 33.87 3i3t s VAL 540 CO 0.47 0.01 1.16 -0.94 -3.33 0.00 0.00 175.10 172.46 3i3t s SER 541 N 0.61 3.51 0.00 3.54 1.04 -1.26 -4.20 113.70 116.94 3i3t s SER 541 Ca -0.03 0.85 0.06 0.00 0.48 0.00 0.00 55.95 57.32 3i3t s SER 541 Cb -0.05 -1.35 0.38 0.00 0.10 0.00 0.00 66.02 65.11 3i3t s SER 541 CO -0.04 -2.54 1.01 1.21 0.98 0.00 0.00 173.24 173.86 3i3t n GLU 542 N -3.74 0.72 -0.05 4.02 0.00 -1.26 -2.44 120.64 117.88 3i3t n GLU 542 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.17 3i3t n GLU 542 Cb 0.60 -1.14 -0.07 0.00 0.00 0.00 0.00 31.44 30.83 3i3t n GLU 542 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3i3t n ASN 543 N -0.64 2.85 0.04 4.31 2.85 -1.26 -3.41 115.26 120.00 3i3t n ASN 543 Ca 0.05 -0.03 -0.07 0.00 -0.11 0.00 0.00 54.58 54.42 3i3t n ASN 543 Cb 0.02 0.28 0.10 0.00 1.24 0.00 0.00 39.78 41.43 3i3t n ASN 543 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3i3t h GLN 544 N 0.00 0.40 0.70 1.20 4.20 -1.85 -2.30 115.11 117.46 3i3t h GLN 544 Ca -0.26 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 3i3t h GLN 544 Cb 1.51 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.32 3i3t h GLN 544 CO -0.01 0.84 -0.36 0.28 -0.67 0.00 0.00 178.83 178.90 3i3t h VAL 545 N 0.31 0.26 -0.01 -0.54 2.07 -1.68 -2.89 116.25 113.78 3i3t h VAL 545 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3i3t h VAL 545 Cb 1.05 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3i3t h VAL 545 CO 0.09 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.69 3i3t h ALA 546 N -0.69 1.73 -0.64 1.67 0.00 -1.55 -1.48 119.26 118.31 3i3t h ALA 546 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i3t h ALA 546 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i3t h ALA 546 CO 0.14 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3i3t n SER 547 N -4.14 3.73 -4.76 0.00 3.41 -0.88 -4.67 113.62 106.32 3i3t n SER 547 Ca -0.03 -2.01 -0.35 0.00 -0.26 0.00 0.00 58.87 56.22 3i3t n SER 547 Cb 0.09 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3i3t n SER 547 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i3t s SER 548 N -1.00 5.31 0.08 4.04 0.01 -0.56 -4.97 113.70 116.60 3i3t s SER 548 Ca 0.43 2.22 -0.26 0.00 1.31 0.00 0.00 55.95 59.65 3i3t s SER 548 Cb 0.22 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.71 3i3t s SER 548 CO 0.29 -1.50 1.67 -0.08 0.41 0.00 0.00 173.24 174.03 3i3t h GLU 549 N 0.74 -0.24 -1.46 12.44 4.81 -1.93 -3.47 114.58 125.47 3i3t h GLU 549 Ca -0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3i3t h GLU 549 Cb 1.27 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3i3t h GLU 549 CO 0.55 -0.13 -0.35 0.41 -0.73 0.00 0.00 179.01 178.76 3i3t n GLY 550 N -1.11 -3.73 1.50 1.92 0.00 -1.26 -4.68 105.19 97.83 3i3t n GLY 550 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i3t n GLY 550 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i3t n TYR 551 N -0.69 -0.07 -4.52 1.61 9.36 0.12 -4.89 117.16 118.09 3i3t n TYR 551 Ca 0.00 0.01 -0.33 0.00 3.32 0.00 0.00 57.90 60.90 3i3t n TYR 551 Cb 0.00 0.25 -0.16 0.00 -0.63 0.00 0.00 39.34 38.81 3i3t n TYR 551 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i3t s VAL 552 N -2.00 2.45 -0.10 2.97 1.01 -0.93 -0.61 120.40 123.20 3i3t s VAL 552 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3i3t s VAL 552 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3i3t s VAL 552 CO 0.00 0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 174.76 3i3t s LEU 553 N 0.87 2.91 -0.38 3.92 1.43 0.11 -0.87 118.68 126.67 3i3t s LEU 553 Ca -0.05 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3i3t s LEU 553 Cb -0.15 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.50 3i3t s LEU 553 CO -0.02 0.25 0.18 -0.36 0.23 0.00 0.00 176.35 176.63 3i3t s PHE 554 N -0.15 3.36 -0.00 0.29 0.40 0.38 -0.81 117.98 121.46 3i3t s PHE 554 Ca 0.00 -1.75 0.01 0.00 -0.60 0.00 0.00 56.93 54.59 3i3t s PHE 554 Cb -0.13 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 3i3t s PHE 554 CO 0.03 -0.84 0.04 0.71 0.70 0.00 0.00 175.22 175.86 3i3t s TYR 555 N 1.33 3.18 -0.07 0.36 2.02 0.11 -1.50 117.35 122.78 3i3t s TYR 555 Ca 0.02 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 3i3t s TYR 555 Cb -0.22 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 3i3t s TYR 555 CO 0.00 0.51 -0.21 1.14 -1.57 0.00 0.00 175.55 175.42 3i3t s GLN 556 N -1.67 2.48 0.13 -0.62 -2.07 -0.34 0.24 119.66 117.81 3i3t s GLN 556 Ca 0.21 -0.75 -0.34 0.00 -1.82 0.00 0.00 55.36 52.66 3i3t s GLN 556 Cb -0.12 -1.98 -0.14 0.00 -1.09 0.00 0.00 33.01 29.68 3i3t s GLN 556 CO 0.12 0.21 1.59 1.28 -1.32 0.00 0.00 175.29 177.17 3i3t n LEU 557 N 3.39 3.02 -0.75 2.60 4.77 -0.78 -1.57 117.00 127.68 3i3t n LEU 557 Ca -0.19 1.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.99 3i3t n LEU 557 Cb 0.53 -1.41 0.29 0.00 -2.33 0.00 0.00 43.42 40.50 3i3t n LEU 557 CO 0.26 -0.32 0.74 0.23 -1.33 0.00 0.00 177.39 176.97