#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 0.30 0.01 3.57 0.11 -1.26 -5.00 120.40 118.14 3i3t s VAL 212 Ca 0.00 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.62 3i3t s VAL 212 Cb 0.00 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i3t s VAL 212 CO 0.00 -0.73 0.01 0.61 -3.33 0.00 0.00 175.10 171.66 3i3t n GLY 213 N 0.76 2.61 3.24 6.54 0.00 -1.26 -4.94 105.19 112.14 3i3t n GLY 213 Ca -0.18 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.46 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 2.26 0.41 0.99 1.43 -0.80 -0.19 118.68 122.79 3i3t s LEU 214 Ca 0.01 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.25 3i3t s LEU 214 Cb -0.00 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.35 3i3t s LEU 214 CO 0.01 0.04 1.02 -0.13 0.23 0.00 0.00 176.35 177.51 3i3t s ARG 215 N -1.69 4.16 0.09 1.70 1.81 -0.66 -0.80 118.95 123.55 3i3t s ARG 215 Ca 0.04 1.40 -0.23 0.00 -1.72 0.00 0.00 55.73 55.22 3i3t s ARG 215 Cb -0.10 -2.43 -0.07 0.00 -0.45 0.00 0.00 34.95 31.90 3i3t s ARG 215 CO 0.03 -0.13 0.69 1.21 -0.68 0.00 0.00 175.30 176.43 3i3t s ASN 216 N -1.74 7.21 -0.14 0.23 2.47 -1.26 -4.73 114.94 116.97 3i3t s ASN 216 Ca 0.59 1.43 0.18 0.00 0.42 0.00 0.00 52.86 55.48 3i3t s ASN 216 Cb -0.18 -2.44 0.30 0.00 -1.45 0.00 0.00 41.25 37.48 3i3t s ASN 216 CO 0.23 0.17 1.16 0.18 -3.72 0.00 0.00 177.10 175.12 3i3t n LEU 217 N 2.04 2.38 0.00 3.21 4.77 -1.26 -4.98 117.00 123.15 3i3t n LEU 217 Ca -0.06 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 3i3t n LEU 217 Cb 0.50 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3i3t n LEU 217 CO 0.45 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3i3t n GLY 218 N -1.38 0.73 3.16 -0.72 0.00 -1.26 -4.86 105.19 100.86 3i3t n GLY 218 Ca 0.16 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -6.00 -1.64 1.61 5.03 -1.26 -4.76 115.26 108.24 3i3t n ASN 219 Ca 0.00 -0.35 -0.08 0.00 0.87 0.00 0.00 54.58 55.03 3i3t n ASN 219 Cb 0.00 -4.83 0.24 0.00 -1.02 0.00 0.00 39.78 34.17 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 -4.57 2.79 0.14 3.41 -2.24 -1.26 -4.47 114.28 108.09 3i3t n THR 220 Ca -0.08 -2.08 0.01 0.00 -2.27 0.00 0.00 64.05 59.63 3i3t n THR 220 Cb 0.60 -0.36 0.31 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.10 0.14 0.13 0.00 -5.15 -1.87 0.16 116.94 110.44 3i3t h PHE 222 Ca 0.01 0.00 -0.31 0.00 -0.20 0.00 0.00 57.97 57.47 3i3t h PHE 222 Cb 0.70 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 36.82 3i3t h PHE 222 CO 0.01 0.07 -1.56 1.25 -2.00 0.00 0.00 178.31 176.08 3i3t h LEU 223 N 0.14 0.42 0.56 2.10 6.46 -1.69 -2.99 115.31 120.31 3i3t h LEU 223 Ca 0.14 -0.59 -0.03 0.00 -0.12 0.00 0.00 57.88 57.28 3i3t h LEU 223 Cb 0.37 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3i3t h LEU 223 CO -0.02 1.49 -0.27 0.78 -0.62 0.00 0.00 178.44 179.81 3i3t h ASN 224 N 0.07 -0.63 -0.99 1.25 2.35 -0.41 -2.02 115.58 115.20 3i3t h ASN 224 Ca -0.26 -0.04 0.17 0.00 -0.55 0.00 0.00 56.30 55.63 3i3t h ASN 224 Cb 2.03 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 40.47 3i3t h ASN 224 CO 0.17 -0.33 0.62 0.00 -1.65 0.00 0.00 177.43 176.23 3i3t h ALA 225 N -0.59 1.70 0.08 -0.83 0.00 -0.87 -2.46 119.26 116.29 3i3t h ALA 225 Ca -0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i3t h ALA 225 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i3t h ALA 225 CO 0.13 -0.02 -0.04 0.28 0.00 0.00 0.00 179.25 179.60 3i3t h VAL 226 N 0.79 1.18 -0.92 0.00 2.07 -1.46 -3.09 116.25 114.82 3i3t h VAL 226 Ca 0.54 -1.26 0.26 0.00 0.82 0.00 0.00 66.70 67.05 3i3t h VAL 226 Cb 0.81 1.96 -0.16 0.00 -1.52 0.00 0.00 31.29 32.37 3i3t h VAL 226 CO -0.32 0.30 0.13 -0.07 0.02 0.00 0.00 177.57 177.63 3i3t h LEU 227 N -0.72 -0.24 -1.27 2.57 4.07 -1.17 -0.70 115.31 117.85 3i3t h LEU 227 Ca -0.01 0.24 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 3i3t h LEU 227 Cb 0.57 0.38 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 3i3t h LEU 227 CO 0.02 -0.27 0.18 1.56 -1.08 0.00 0.00 178.44 178.85 3i3t h GLN 228 N 0.09 0.68 -0.16 1.13 1.08 -1.48 0.51 115.11 116.97 3i3t h GLN 228 Ca 0.58 -0.10 -0.17 0.00 -1.45 0.00 0.00 58.65 57.51 3i3t h GLN 228 Cb 1.19 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 3i3t h GLN 228 CO -0.79 0.57 -0.59 0.00 -0.95 0.00 0.00 178.83 177.07 3i3t h LEU 230 N 0.39 0.69 -1.53 0.00 3.38 -0.49 -2.84 115.31 114.90 3i3t h LEU 230 Ca -0.00 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 3i3t h LEU 230 Cb 1.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3i3t h LEU 230 CO 0.11 1.44 -0.24 -1.28 0.09 0.00 0.00 178.44 178.57 3i3t h SER 231 N 0.22 0.00 0.77 -0.43 0.87 -0.00 0.25 113.55 115.23 3i3t h SER 231 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3i3t h SER 231 Cb 1.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 3i3t h SER 231 CO 0.21 0.24 0.00 -1.20 -0.53 0.00 0.00 176.83 175.55 3i3t n SER 232 N -4.21 0.09 -4.47 6.23 7.64 -0.57 -4.56 113.62 113.77 3i3t n SER 232 Ca -0.02 0.51 -0.43 0.00 1.01 0.00 0.00 58.87 59.94 3i3t n SER 232 Cb 0.30 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 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 -3.03 4.60 0.16 0.44 2.01 0.08 -4.93 115.64 114.97 3i3t s THR 233 Ca 0.10 -1.41 -0.17 0.00 0.31 0.00 0.00 61.69 60.51 3i3t s THR 233 Cb 0.14 -4.81 0.08 0.00 0.01 0.00 0.00 72.50 67.91 3i3t s THR 233 CO 0.40 -1.56 1.67 0.03 -0.69 0.00 0.00 174.62 174.47 3i3t h ARG 234 N 9.00 0.01 -0.30 4.92 3.08 -1.82 0.15 114.38 129.40 3i3t h ARG 234 Ca 0.14 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3i3t h ARG 234 Cb 1.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3i3t h ARG 234 CO 1.15 0.01 0.20 -1.00 -1.07 0.00 0.00 179.97 179.26 3i3t h PRO 235 N 0.01 0.35 -0.01 0.04 0.13 -1.96 -2.00 132.00 128.57 3i3t h PRO 235 Ca 0.18 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 65.06 3i3t h PRO 235 Cb 0.28 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.35 3i3t h PRO 235 CO -0.38 0.23 -0.91 1.25 -0.23 0.00 0.00 178.00 177.96 3i3t h LEU 236 N 0.36 0.81 0.21 1.56 5.85 -1.14 -2.12 115.31 120.84 3i3t h LEU 236 Ca 0.12 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.11 3i3t h LEU 236 Cb 0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3i3t h LEU 236 CO -0.03 1.45 -0.35 -0.09 -0.34 0.00 0.00 178.44 179.08 3i3t h ARG 237 N 0.27 -0.61 -0.35 1.25 2.43 -0.70 -1.53 114.38 115.13 3i3t h ARG 237 Ca -0.11 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3i3t h ARG 237 Cb 1.58 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 31.22 3i3t h ARG 237 CO 0.18 -0.41 0.05 -0.44 -1.51 0.00 0.00 179.97 177.84 3i3t h ASP 238 N -0.64 -0.04 -0.88 -3.80 3.32 -1.40 0.46 116.42 113.45 3i3t h ASP 238 Ca 0.01 0.06 0.23 0.00 0.02 0.00 0.00 57.03 57.35 3i3t h ASP 238 Cb 0.62 0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.13 3i3t h ASP 238 CO -0.15 0.02 0.17 0.15 -1.72 0.00 0.00 179.24 177.71 3i3t h PHE 239 N 0.16 0.23 0.08 4.55 3.57 -1.19 -1.30 116.94 123.03 3i3t h PHE 239 Ca 0.17 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3i3t h PHE 239 Cb 0.20 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3i3t h PHE 239 CO -0.20 -0.26 -0.04 0.00 -2.23 0.00 0.00 178.31 175.58 3i3t h LEU 241 N -0.83 0.82 -0.00 0.00 3.38 -0.72 -1.36 115.31 116.60 3i3t h LEU 241 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i3t h LEU 241 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3i3t h LEU 241 CO 0.02 0.52 -0.08 0.54 0.09 0.00 0.00 178.44 179.52 3i3t n ARG 242 N -4.50 0.03 -2.85 1.13 1.74 -0.51 -4.93 116.66 106.77 3i3t n ARG 242 Ca 0.13 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 3i3t n ARG 242 Cb 0.23 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.48 -3.27 0.27 5.56 1.74 -0.52 -4.85 116.66 114.12 3i3t n ARG 243 Ca 0.07 0.73 0.17 0.00 -0.77 0.00 0.00 57.85 58.06 3i3t n ARG 243 Cb 0.33 -5.46 0.92 0.00 -1.02 0.00 0.00 32.46 27.24 3i3t n ARG 243 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3t h ASP 244 N -0.68 0.00 0.33 0.55 3.32 -1.73 -2.03 116.42 116.17 3i3t h ASP 244 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 3i3t h ASP 244 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3i3t h ASP 244 CO 0.50 0.00 -0.39 2.19 -1.72 0.00 0.00 179.24 179.83 3i3t h PHE 245 N 0.00 0.10 -0.94 4.55 -5.15 -1.89 -2.75 116.94 110.86 3i3t h PHE 245 Ca 0.00 -0.02 0.25 0.00 -0.20 0.00 0.00 57.97 58.00 3i3t h PHE 245 Cb 0.10 -0.02 -0.05 0.00 0.22 0.00 0.00 35.95 36.20 3i3t h PHE 245 CO 0.00 0.47 0.65 0.00 -2.00 0.00 0.00 178.31 177.43 3i3t h ARG 246 N 0.07 0.15 -0.01 6.09 -0.00 -1.74 -2.91 114.38 116.03 3i3t h ARG 246 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3i3t h ARG 246 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.66 3i3t h ARG 246 CO 0.05 0.10 -0.18 1.04 0.00 0.00 0.00 179.97 180.98 3i3t n GLN 247 N -4.37 1.78 0.27 0.04 1.13 -1.04 -4.11 117.38 111.08 3i3t n GLN 247 Ca 0.20 -0.72 0.14 0.00 -1.94 0.00 0.00 57.00 54.68 3i3t n GLN 247 Cb 0.91 -1.12 0.79 0.00 0.11 0.00 0.00 30.24 30.93 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 1.35 0.00 -3.73 -1.09 4.39 -1.47 -3.53 114.58 110.50 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 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3i3t h GLU 248 CO 0.00 0.09 -0.42 0.28 -1.16 0.00 0.00 179.01 177.79 3i3t n VAL 249 N -3.60 -5.87 0.00 3.13 0.31 -1.26 -4.51 118.33 106.54 3i3t n VAL 249 Ca -0.02 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 3i3t n VAL 249 Cb 0.21 -4.88 0.00 0.00 -0.91 0.00 0.00 33.84 28.25 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 0.37 0.00 -0.13 5.55 6.02 -1.26 -4.60 117.38 123.33 3i3t n GLN 256 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 3i3t n GLN 256 Cb 0.08 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.32 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 0.66 0.00 -1.09 4.81 -1.99 -0.73 114.58 116.24 3i3t h GLU 257 Ca 0.00 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.85 3i3t h GLU 257 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3i3t h GLU 257 CO 0.00 0.78 -0.78 1.25 -0.73 0.00 0.00 179.01 179.53 3i3t h LEU 258 N 0.48 0.00 -0.86 1.64 5.85 -1.95 -2.04 115.31 118.43 3i3t h LEU 258 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3i3t h LEU 258 Cb 0.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3i3t h LEU 258 CO 0.02 0.78 0.19 0.74 -0.34 0.00 0.00 178.44 179.83 3i3t h THR 259 N 0.00 1.25 0.56 1.05 2.02 -1.91 0.70 112.91 116.58 3i3t h THR 259 Ca -0.01 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3i3t h THR 259 Cb 1.52 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3i3t h THR 259 CO 0.10 0.34 -0.32 -0.08 0.37 0.00 0.00 175.52 175.93 3i3t h GLU 260 N 0.99 -0.80 -0.61 6.66 4.57 -0.74 -0.78 114.58 123.88 3i3t h GLU 260 Ca 0.21 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3i3t h GLU 260 Cb 0.31 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3i3t h GLU 260 CO -0.00 -0.53 0.24 0.00 -1.18 0.00 0.00 179.01 177.54 3i3t h ALA 261 N -0.43 1.28 0.19 2.92 0.00 -1.34 -2.72 119.26 119.16 3i3t h ALA 261 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3i3t h ALA 261 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i3t h ALA 261 CO 0.08 0.53 -0.09 0.35 0.00 0.00 0.00 179.25 180.12 3i3t h PHE 262 N 0.88 -0.24 -0.25 0.00 3.57 -0.72 -2.58 116.94 117.59 3i3t h PHE 262 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3i3t h PHE 262 Cb 0.17 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3i3t h PHE 262 CO 0.01 -0.15 -0.08 0.00 -2.23 0.00 0.00 178.31 175.86 3i3t n ALA 263 N -2.13 0.01 1.19 2.41 0.00 -0.31 -0.59 120.51 121.08 3i3t n ALA 263 Ca -0.03 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.80 3i3t n ALA 263 Cb 0.10 -0.13 0.25 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.39 1.91 0.10 0.00 5.68 -1.04 -0.89 116.55 117.92 3i3t n ASP 264 Ca 0.03 -1.49 -0.13 0.00 -0.50 0.00 0.00 54.79 52.70 3i3t n ASP 264 Cb 0.11 0.15 -0.08 0.00 -1.14 0.00 0.00 41.12 40.16 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 2.72 0.93 -1.01 2.12 2.07 -0.43 -1.63 116.25 121.03 3i3t h VAL 265 Ca 0.00 -0.55 0.25 0.00 0.82 0.00 0.00 66.70 67.21 3i3t h VAL 265 Cb 0.69 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 3i3t h VAL 265 CO 0.00 0.13 0.65 0.40 0.02 0.00 0.00 177.57 178.77 3i3t h ILE 266 N -0.50 0.57 0.42 4.57 1.08 -1.33 -1.49 117.51 120.83 3i3t h ILE 266 Ca -0.02 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 3i3t h ILE 266 Cb 0.39 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3i3t h ILE 266 CO 0.04 0.08 -0.20 1.23 -0.69 0.00 0.00 178.15 178.60 3i3t h GLY 267 N 0.42 -0.59 -0.13 5.37 0.00 -0.90 -2.88 103.07 104.37 3i3t h GLY 267 Ca 0.56 0.22 0.25 0.00 0.00 0.00 0.00 47.33 48.36 3i3t h GLY 267 CO -0.27 -0.21 0.82 0.00 0.00 0.00 0.00 176.54 176.88 3i3t h ALA 268 N -0.57 2.70 -0.00 3.60 0.00 -0.28 -1.88 119.26 122.83 3i3t h ALA 268 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i3t h ALA 268 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i3t h ALA 268 CO 0.09 -1.27 -0.30 1.28 0.00 0.00 0.00 179.25 179.06 3i3t n LEU 269 N -3.69 0.73 0.00 0.00 4.77 -0.98 -4.69 117.00 113.13 3i3t n LEU 269 Ca 0.18 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3i3t n LEU 269 Cb 1.11 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3i3t n LEU 269 CO 0.30 0.15 0.05 1.87 -1.33 0.00 0.00 177.39 178.43 3i3t n TRP 270 N -1.00 0.00 -3.83 -1.77 -0.00 -0.71 -4.51 117.44 105.61 3i3t n TRP 270 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.30 3i3t n TRP 270 Cb 0.33 -0.45 -0.11 0.00 -0.00 0.00 0.00 31.31 31.08 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 -1.10 3.65 0.22 5.87 3.76 -1.26 -5.03 115.29 121.41 3i3t s HIS 271 Ca 0.00 -3.26 -0.30 0.00 -0.15 0.00 0.00 55.06 51.36 3i3t s HIS 271 Cb 0.00 -2.86 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 3i3t s HIS 271 CO 0.00 -0.60 1.16 -1.25 -0.85 0.00 0.00 174.74 173.20 3i3t s PRO 272 N -1.39 4.54 -0.11 8.40 0.04 -1.26 -4.93 135.00 140.29 3i3t s PRO 272 Ca 0.25 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 3i3t s PRO 272 Cb -0.06 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 3i3t s PRO 272 CO -0.15 0.02 -0.03 0.38 0.04 0.00 0.00 177.00 177.26 3i3t h ASP 273 N 4.68 0.00 -3.71 6.66 2.03 -1.98 -3.48 116.42 120.62 3i3t h ASP 273 Ca -0.45 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.42 3i3t h ASP 273 Cb 1.21 0.00 0.18 0.00 -0.83 0.00 0.00 39.33 39.89 3i3t h ASP 273 CO 0.71 0.54 0.25 -0.94 -1.03 0.00 0.00 179.24 178.78 3i3t s SER 274 N -5.53 1.81 0.00 4.15 1.04 -1.26 -5.01 113.70 108.89 3i3t s SER 274 Ca -0.03 0.47 0.22 0.00 0.48 0.00 0.00 55.95 57.09 3i3t s SER 274 Cb 0.00 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 3i3t s SER 274 CO 0.04 -3.56 1.06 0.00 0.98 0.00 0.00 173.24 171.76 3i3t n GLU 276 N -0.42 0.00 -2.25 0.00 -0.58 -1.26 -4.79 120.64 111.33 3i3t n GLU 276 Ca 0.08 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.48 3i3t n GLU 276 Cb 0.43 -1.19 -0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.25 2.71 0.44 0.62 0.00 -1.26 -4.73 121.76 119.30 3i3t s ALA 277 Ca 0.73 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 3i3t s ALA 277 Cb -1.03 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 18.68 3i3t s ALA 277 CO 0.50 -0.72 1.02 0.08 0.00 0.00 0.00 175.76 176.63 3i3t s VAL 278 N -1.95 3.92 -0.33 0.00 1.01 0.74 -4.77 120.40 119.03 3i3t s VAL 278 Ca 0.70 1.29 -0.09 0.00 0.00 0.00 0.00 61.98 63.88 3i3t s VAL 278 Cb -0.21 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3i3t s VAL 278 CO 0.28 -0.17 0.15 0.21 0.00 0.00 0.00 175.10 175.56 3i3t s ASN 279 N -1.89 5.48 -0.27 3.32 3.84 -1.26 -1.66 114.94 122.49 3i3t s ASN 279 Ca 0.63 -0.74 0.12 0.00 0.21 0.00 0.00 52.86 53.08 3i3t s ASN 279 Cb -0.16 -1.97 0.79 0.00 -0.55 0.00 0.00 41.25 39.36 3i3t s ASN 279 CO 0.21 -0.25 1.77 -0.81 -2.79 0.00 0.00 177.10 175.22 3i3t n PRO 280 N 4.95 4.42 -0.27 0.43 -0.04 -1.26 -4.62 135.00 138.60 3i3t n PRO 280 Ca -0.13 -3.11 -0.10 0.00 -0.04 0.00 0.00 63.50 60.12 3i3t n PRO 280 Cb 0.48 -2.25 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.44 0.00 0.01 0.52 2.02 -1.95 -1.70 112.91 115.25 3i3t h THR 281 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.32 3i3t h THR 281 Cb 2.14 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3i3t h THR 281 CO 0.60 0.00 -0.18 -0.09 0.37 0.00 0.00 175.52 176.22 3i3t h ARG 282 N -0.13 -0.29 -0.18 6.66 9.65 -2.00 -0.20 114.38 127.90 3i3t h ARG 282 Ca 0.11 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3i3t h ARG 282 Cb 0.41 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 3i3t h ARG 282 CO -0.69 -0.19 -0.06 0.35 2.80 0.00 0.00 179.97 182.18 3i3t h PHE 283 N -0.30 -0.12 -0.97 2.20 3.57 -1.76 0.26 116.94 119.82 3i3t h PHE 283 Ca 0.05 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3i3t h PHE 283 Cb 0.36 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 3i3t h PHE 283 CO -0.22 -0.09 0.62 -0.09 -2.23 0.00 0.00 178.31 176.29 3i3t h ARG 284 N -0.02 0.97 -0.23 1.11 2.43 -0.82 0.12 114.38 117.95 3i3t h ARG 284 Ca 0.09 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3i3t h ARG 284 Cb 0.15 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3i3t h ARG 284 CO -0.20 0.64 -0.02 0.00 -1.51 0.00 0.00 179.97 178.89 3i3t h ALA 285 N 1.52 0.19 -0.28 2.80 0.00 0.12 0.17 119.26 123.79 3i3t h ALA 285 Ca 0.45 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 3i3t h ALA 285 Cb 0.38 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i3t h ALA 285 CO -0.21 -0.44 -0.08 0.28 0.00 0.00 0.00 179.25 178.80 3i3t h VAL 286 N 0.05 1.28 -0.32 0.00 2.07 -0.53 -2.59 116.25 116.21 3i3t h VAL 286 Ca 0.11 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.58 3i3t h VAL 286 Cb 0.15 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 3i3t h VAL 286 CO -0.20 0.36 -0.31 0.15 0.02 0.00 0.00 177.57 177.59 3i3t h PHE 287 N 0.31 -0.84 0.00 1.57 3.57 -0.55 -2.30 116.94 118.70 3i3t h PHE 287 Ca 0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3i3t h PHE 287 Cb 0.57 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3i3t h PHE 287 CO 0.05 -0.37 0.00 0.00 -2.23 0.00 0.00 178.31 175.76 3i3t n GLN 288 N -5.41 0.17 -0.02 1.11 10.64 0.58 -1.45 117.38 123.00 3i3t n GLN 288 Ca -0.00 0.09 -0.16 0.00 -1.83 0.00 0.00 57.00 55.10 3i3t n GLN 288 Cb 0.33 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.12 3i3t n GLN 288 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i3t h LYS 289 N 0.00 0.53 0.00 2.61 1.63 -1.02 -3.08 116.57 117.23 3i3t h LYS 289 Ca 0.00 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3i3t h LYS 289 Cb 0.30 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3i3t h LYS 289 CO 0.00 1.07 -0.32 0.66 -3.45 0.00 0.00 179.45 177.41 3i3t n TYR 290 N -4.21 0.06 -3.27 1.91 4.01 -0.90 -4.34 117.16 110.42 3i3t n TYR 290 Ca -0.08 0.02 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 3i3t n TYR 290 Cb 0.62 -0.38 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.56 -0.00 0.27 -0.72 0.31 -0.53 -5.00 118.33 111.10 3i3t n VAL 291 Ca 0.06 -4.25 0.18 0.00 -0.01 0.00 0.00 64.34 60.32 3i3t n VAL 291 Cb 0.35 -1.97 0.94 0.00 -0.91 0.00 0.00 33.84 32.25 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 4.20 0.00 0.00 5.55 0.13 -1.73 -1.28 132.00 138.87 3i3t h PRO 292 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i3t h PRO 292 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3i3t h PRO 292 CO 0.54 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.97 3i3t h SER 293 N 0.00 0.00 -0.58 1.44 4.64 -1.95 -2.32 113.55 114.79 3i3t h SER 293 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i3t h SER 293 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3i3t h SER 293 CO -0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3i3t n PHE 294 N -2.71 1.98 -1.57 4.77 3.01 -0.48 -4.93 117.46 117.53 3i3t n PHE 294 Ca -0.01 -0.70 -0.31 0.00 1.01 0.00 0.00 57.45 57.45 3i3t n PHE 294 Cb 0.14 -0.48 0.06 0.00 -0.01 0.00 0.00 39.48 39.20 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 -0.77 5.17 0.00 4.37 1.04 -0.87 -4.87 113.70 117.76 3i3t s SER 295 Ca 0.53 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.50 3i3t s SER 295 Cb 0.40 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 64.14 3i3t s SER 295 CO 0.17 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.43 3i3t n GLY 296 N -2.02 -0.47 0.25 7.32 0.00 -1.26 -4.71 105.19 104.29 3i3t n GLY 296 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.98 1.61 4.02 -1.26 -5.08 117.16 114.46 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 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.50 5.64 1.04 7.72 1.04 -1.26 -4.55 113.70 122.83 3i3t s SER 298 Ca 0.00 2.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 3i3t s SER 298 Cb 0.00 -2.62 0.21 0.00 0.10 0.00 0.00 66.02 63.71 3i3t s SER 298 CO 0.00 -1.30 1.07 -1.10 0.98 0.00 0.00 173.24 172.89 3i3t s GLN 299 N -2.83 0.06 0.15 4.02 -0.21 -1.26 -4.94 119.66 114.65 3i3t s GLN 299 Ca 0.68 0.67 -0.25 0.00 0.02 0.00 0.00 55.36 56.49 3i3t s GLN 299 Cb -0.35 -1.68 0.06 0.00 1.00 0.00 0.00 33.01 32.04 3i3t s GLN 299 CO 0.42 -3.02 0.92 -1.14 -2.12 0.00 0.00 175.29 170.35 3i3t s GLN 300 N -4.79 1.23 -0.13 2.91 2.00 -1.26 -5.13 119.66 114.49 3i3t s GLN 300 Ca 0.66 -0.66 -0.21 0.00 -2.00 0.00 0.00 55.36 53.16 3i3t s GLN 300 Cb -0.21 0.43 -0.03 0.00 0.80 0.00 0.00 33.01 34.00 3i3t s GLN 300 CO 0.60 -0.56 0.59 0.34 -0.50 0.00 0.00 175.29 175.76 3i3t s ASP 301 N -2.89 6.77 0.15 6.67 -1.08 -1.26 -4.83 116.67 120.19 3i3t s ASP 301 Ca 0.11 0.92 -0.17 0.00 -0.52 0.00 0.00 52.55 52.89 3i3t s ASP 301 Cb -0.02 -2.34 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3i3t s ASP 301 CO 0.01 -0.13 1.80 0.00 0.52 0.00 0.00 175.17 177.38 3i3t h ALA 302 N 7.01 0.44 0.00 3.66 0.00 -1.99 0.04 119.26 128.42 3i3t h ALA 302 Ca -0.38 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3i3t h ALA 302 Cb 1.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3i3t h ALA 302 CO 0.76 -0.11 -0.54 -0.56 0.00 0.00 0.00 179.25 178.80 3i3t h GLN 303 N 0.46 0.00 0.34 0.00 -0.00 -1.93 0.26 115.11 114.23 3i3t h GLN 303 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.76 3i3t h GLN 303 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 3i3t h GLN 303 CO -0.04 0.54 -0.16 1.49 -0.00 0.00 0.00 178.83 180.66 3i3t h GLU 304 N 0.00 -0.44 -0.56 0.06 4.81 -1.94 -0.33 114.58 116.19 3i3t h GLU 304 Ca -0.01 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3i3t h GLU 304 Cb 1.03 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3i3t h GLU 304 CO 0.07 -0.11 -0.56 0.35 -0.73 0.00 0.00 179.01 178.03 3i3t h PHE 305 N -0.83 -1.74 -0.05 0.92 3.57 -0.72 0.89 116.94 118.98 3i3t h PHE 305 Ca -0.05 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3i3t h PHE 305 Cb 0.52 0.83 -0.00 0.00 2.79 0.00 0.00 35.95 40.10 3i3t h PHE 305 CO 0.03 -0.45 0.04 1.25 -2.23 0.00 0.00 178.31 176.95 3i3t h LEU 306 N -0.29 0.00 -0.13 0.59 5.85 -0.49 -0.24 115.31 120.60 3i3t h LEU 306 Ca 0.09 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.58 3i3t h LEU 306 Cb 0.54 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.58 3i3t h LEU 306 CO -0.68 0.00 -0.92 0.50 -0.34 0.00 0.00 178.44 177.00 3i3t h LYS 307 N 0.00 0.62 0.00 1.25 3.64 0.94 -2.43 116.57 120.59 3i3t h LYS 307 Ca 0.02 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3i3t h LYS 307 Cb 0.11 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i3t h LYS 307 CO -0.00 1.21 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.96 3i3t h LEU 308 N 0.38 0.00 0.31 5.20 4.07 -0.69 -2.51 115.31 122.06 3i3t h LEU 308 Ca -0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 3i3t h LEU 308 Cb 1.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.30 3i3t h LEU 308 CO 0.18 0.03 -0.15 0.25 -1.08 0.00 0.00 178.44 177.66 3i3t h LEU 309 N 0.00 -0.35 -0.69 1.67 5.85 -1.07 -3.11 115.31 117.61 3i3t h LEU 309 Ca 0.00 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.72 3i3t h LEU 309 Cb 0.87 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 3i3t h LEU 309 CO 0.00 0.12 -0.02 0.24 -0.34 0.00 0.00 178.44 178.44 3i3t h MET 310 N -0.99 0.09 -0.71 1.25 2.86 -1.50 -1.54 114.93 114.39 3i3t h MET 310 Ca -0.04 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.75 3i3t h MET 310 Cb 0.48 -0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.00 3i3t h MET 310 CO 0.07 0.06 0.05 0.93 1.06 0.00 0.00 176.91 179.08 3i3t h GLU 311 N 0.09 0.14 -0.01 1.72 5.08 -1.57 0.29 114.58 120.33 3i3t h GLU 311 Ca 0.37 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3i3t h GLU 311 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3i3t h GLU 311 CO -0.62 0.10 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.28 3i3t h ARG 312 N 0.15 0.10 -0.62 2.33 9.65 -1.41 -2.45 114.38 122.12 3i3t h ARG 312 Ca 0.39 -0.09 0.09 0.00 -1.10 0.00 0.00 59.98 59.26 3i3t h ARG 312 Cb 0.67 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.16 3i3t h ARG 312 CO -0.58 0.80 -0.47 -0.07 2.80 0.00 0.00 179.97 182.45 3i3t h LEU 313 N -0.57 -1.61 -0.67 3.80 4.07 -1.28 -1.34 115.31 117.70 3i3t h LEU 313 Ca -0.01 0.26 0.13 0.00 0.08 0.00 0.00 57.88 58.34 3i3t h LEU 313 Cb 0.83 0.73 -0.09 0.00 1.08 0.00 0.00 40.66 43.20 3i3t h LEU 313 CO 0.02 -0.33 0.17 -0.74 -1.08 0.00 0.00 178.44 176.48 3i3t h HIS 314 N -0.21 0.27 0.40 1.13 2.76 -0.35 -0.32 115.15 118.83 3i3t h HIS 314 Ca 0.17 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3i3t h HIS 314 Cb 0.55 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.50 3i3t h HIS 314 CO -0.76 -0.03 -0.19 1.25 -1.30 0.00 0.00 177.93 176.90 3i3t h LEU 315 N 0.29 -0.45 -1.95 0.26 5.85 -1.20 0.14 115.31 118.26 3i3t h LEU 315 Ca 0.36 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.09 3i3t h LEU 315 Cb 0.56 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3i3t h LEU 315 CO -0.44 -0.28 0.08 -0.33 -0.34 0.00 0.00 178.44 177.13 3i3t h GLU 316 N -0.58 0.07 -0.31 1.25 5.08 0.03 -3.13 114.58 116.99 3i3t h GLU 316 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i3t h GLU 316 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3i3t h GLU 316 CO 0.09 0.04 0.00 0.44 -1.00 0.00 0.00 179.01 178.58 3i3t n ILE 317 N -4.51 1.22 -1.66 3.13 -5.35 -0.28 -4.83 119.36 107.08 3i3t n ILE 317 Ca -0.01 -1.16 -0.47 0.00 -0.27 0.00 0.00 62.75 60.84 3i3t n ILE 317 Cb 0.15 0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.27 2.96 0.09 7.28 2.85 0.02 -4.61 115.26 124.12 3i3t n ASN 318 Ca 0.13 1.07 -0.08 0.00 -0.11 0.00 0.00 54.58 55.59 3i3t n ASN 318 Cb 0.50 -1.39 0.01 0.00 1.24 0.00 0.00 39.78 40.14 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 6.22 0.17 0.00 1.20 3.08 -0.18 -3.44 114.38 121.43 3i3t h ARG 319 Ca -0.46 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.41 3i3t h ARG 319 Cb 1.27 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3i3t h ARG 319 CO 0.88 0.91 0.00 0.54 -1.07 0.00 0.00 179.97 181.23 3i3t n ARG 320 N -3.67 0.06 0.00 0.04 1.74 -1.24 -4.96 116.66 108.63 3i3t n ARG 320 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3i3t n ARG 320 Cb 0.78 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.22 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 -4.83 0.55 7.94 -1.26 -5.01 117.00 114.38 3i3t n LEU 349 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 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 0.32 -0.55 -1.11 0.00 0.00 177.39 176.05 3i3t s SER 350 N 0.00 6.92 0.20 1.96 0.15 -1.26 -4.93 113.70 116.74 3i3t s SER 350 Ca 0.00 1.23 -0.23 0.00 0.70 0.00 0.00 55.95 57.65 3i3t s SER 350 Cb 0.00 -2.35 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 3i3t s SER 350 CO 0.00 0.05 1.55 0.44 1.20 0.00 0.00 173.24 176.48 3i3t h ASP 351 N 3.40 -1.67 0.29 5.45 3.32 -2.02 0.14 116.42 125.32 3i3t h ASP 351 Ca -0.48 0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3i3t h ASP 351 Cb 1.19 0.81 -0.00 0.00 0.22 0.00 0.00 39.33 41.55 3i3t h ASP 351 CO 0.66 -0.28 -0.07 0.44 -1.72 0.00 0.00 179.24 178.27 3i3t h ASP 352 N -0.04 0.00 0.19 6.45 3.32 -2.00 -2.52 116.42 121.83 3i3t h ASP 352 Ca 0.26 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.03 3i3t h ASP 352 Cb 0.53 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.12 3i3t h ASP 352 CO -0.93 0.07 -1.23 0.44 -1.72 0.00 0.00 179.24 175.87 3i3t h ASP 353 N 0.00 0.75 -0.22 6.45 3.32 -1.16 -2.29 116.42 123.26 3i3t h ASP 353 Ca -0.00 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.14 3i3t h ASP 353 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i3t h ASP 353 CO 0.01 1.60 0.13 0.03 -1.72 0.00 0.00 179.24 179.28 3i3t h ARG 354 N 0.03 0.31 -0.12 3.56 3.08 -1.19 -1.51 114.38 118.54 3i3t h ARG 354 Ca -0.21 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.83 3i3t h ARG 354 Cb 1.96 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.91 3i3t h ARG 354 CO 0.23 0.26 -0.24 0.00 -1.07 0.00 0.00 179.97 179.16 3i3t h ALA 355 N 1.03 -0.56 -0.98 0.04 0.00 -1.45 0.29 119.26 117.62 3i3t h ALA 355 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i3t h ALA 355 Cb 0.04 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3i3t h ALA 355 CO -0.01 -0.66 0.64 -0.91 0.00 0.00 0.00 179.25 178.31 3i3t h ASN 356 N -0.21 1.06 -0.16 0.00 2.35 -1.33 0.21 115.58 117.50 3i3t h ASN 356 Ca 0.02 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3i3t h ASN 356 Cb 0.27 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3i3t h ASN 356 CO -0.22 0.72 -0.07 0.25 -1.65 0.00 0.00 177.43 176.45 3i3t h LEU 357 N 1.22 -0.24 -1.11 1.61 7.12 -0.83 0.29 115.31 123.38 3i3t h LEU 357 Ca 0.40 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.38 3i3t h LEU 357 Cb 0.03 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 3i3t h LEU 357 CO -0.13 -0.10 -0.35 0.24 -0.13 0.00 0.00 178.44 177.97 3i3t h MET 358 N -0.05 0.17 -0.29 1.25 2.86 0.70 -1.64 114.93 117.92 3i3t h MET 358 Ca 0.09 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3i3t h MET 358 Cb 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3i3t h MET 358 CO -0.20 0.50 -0.03 2.35 1.06 0.00 0.00 176.91 180.60 3i3t h TRP 359 N 0.15 0.58 -0.23 -0.22 2.91 -0.06 -1.19 115.95 117.88 3i3t h TRP 359 Ca 0.02 -0.11 -0.18 0.00 1.13 0.00 0.00 58.89 59.75 3i3t h TRP 359 Cb 0.69 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 3i3t h TRP 359 CO 0.01 0.69 -0.57 0.87 -1.03 0.00 0.00 178.44 178.41 3i3t h LYS 360 N 0.30 0.74 -0.68 2.65 1.57 -0.77 -0.45 116.57 119.93 3i3t h LYS 360 Ca 0.08 -0.48 0.06 0.00 -1.87 0.00 0.00 60.65 58.44 3i3t h LYS 360 Cb 0.48 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3i3t h LYS 360 CO 0.02 1.10 0.45 0.00 -0.57 0.00 0.00 179.45 180.45 3i3t h ARG 361 N 0.56 0.69 -0.38 3.15 3.08 -1.25 -1.94 114.38 118.29 3i3t h ARG 361 Ca 0.01 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3i3t h ARG 361 Cb 1.16 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3i3t h ARG 361 CO 0.12 0.46 -0.35 -0.92 -1.07 0.00 0.00 179.97 178.21 3i3t h TYR 362 N 0.71 1.08 0.00 3.04 3.20 -0.60 -2.91 116.97 121.49 3i3t h TYR 362 Ca 0.29 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3i3t h TYR 362 Cb 0.24 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3i3t h TYR 362 CO -0.00 1.14 0.00 1.28 -1.64 0.00 0.00 178.16 178.93 3i3t n LEU 363 N -4.10 0.00 0.10 2.82 4.77 -0.23 -1.50 117.00 118.86 3i3t n LEU 363 Ca -0.02 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 3i3t n LEU 363 Cb 0.52 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3i3t n LEU 363 CO 0.48 -0.06 0.06 -0.33 -1.33 0.00 0.00 177.39 176.20 3i3t h GLU 364 N 0.00 0.00 0.00 3.23 5.08 -1.20 -3.38 114.58 118.31 3i3t h GLU 364 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3i3t h GLU 364 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3i3t h GLU 364 CO 0.00 0.00 -1.26 2.89 -1.00 0.00 0.00 179.01 179.64 3i3t n ARG 365 N -2.66 1.72 -3.97 2.33 1.85 -1.16 -4.88 116.66 109.89 3i3t n ARG 365 Ca 0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 57.85 56.53 3i3t n ARG 365 Cb 0.54 -1.11 -0.16 0.00 -1.05 0.00 0.00 32.46 30.69 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 -2.22 1.80 -0.26 2.89 0.41 -0.56 -4.57 118.70 116.20 3i3t s GLU 366 Ca -0.02 -0.96 -0.07 0.00 -0.41 0.00 0.00 54.97 53.51 3i3t s GLU 366 Cb 0.02 -2.54 0.12 0.00 -1.78 0.00 0.00 34.13 29.96 3i3t s GLU 366 CO 0.19 -0.54 0.53 0.34 -0.49 0.00 0.00 175.26 175.29 3i3t s ASP 367 N 1.38 -0.71 0.30 -0.19 2.15 -1.26 -3.85 116.67 114.49 3i3t s ASP 367 Ca -0.04 1.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.95 3i3t s ASP 367 Cb -0.18 1.81 0.04 0.00 -0.30 0.00 0.00 42.92 44.29 3i3t s ASP 367 CO -0.07 -0.24 0.59 -1.54 -0.17 0.00 0.00 175.17 173.74 3i3t n SER 368 N 5.42 -1.71 0.23 -0.34 3.41 -1.26 0.50 113.62 119.86 3i3t n SER 368 Ca -0.08 -2.25 0.09 0.00 -0.26 0.00 0.00 58.87 56.36 3i3t n SER 368 Cb 0.50 2.87 0.57 0.00 -0.26 0.00 0.00 64.21 67.89 3i3t n SER 368 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3i3t h LYS 369 N 0.00 0.00 0.00 4.33 1.63 -1.96 -1.12 116.57 119.45 3i3t h LYS 369 Ca -0.26 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.42 3i3t h LYS 369 Cb 0.95 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 3i3t h LYS 369 CO 0.32 0.21 -0.57 0.82 -3.45 0.00 0.00 179.45 176.78 3i3t h ILE 370 N 0.00 1.28 -0.04 2.00 2.04 -1.95 -2.26 117.51 118.59 3i3t h ILE 370 Ca -0.00 -2.04 -0.25 0.00 1.00 0.00 0.00 64.86 63.57 3i3t h ILE 370 Cb 0.49 2.14 0.02 0.00 -0.74 0.00 0.00 36.82 38.73 3i3t h ILE 370 CO 0.03 0.56 -0.94 0.58 0.00 0.00 0.00 178.15 178.38 3i3t h VAL 371 N 0.00 1.29 -0.08 1.67 2.07 -1.86 -2.22 116.25 117.13 3i3t h VAL 371 Ca -0.01 -2.16 0.04 0.00 0.82 0.00 0.00 66.70 65.39 3i3t h VAL 371 Cb 1.09 2.31 -0.06 0.00 -1.52 0.00 0.00 31.29 33.11 3i3t h VAL 371 CO 0.07 0.67 -0.41 0.44 0.02 0.00 0.00 177.57 178.37 3i3t h ASP 372 N 0.38 -1.26 0.48 0.57 3.32 -1.19 -3.19 116.42 115.54 3i3t h ASP 372 Ca -0.11 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3i3t h ASP 372 Cb 1.59 0.51 0.00 0.00 0.22 0.00 0.00 39.33 41.65 3i3t h ASP 372 CO 0.19 -0.43 -0.23 -0.07 -1.72 0.00 0.00 179.24 176.98 3i3t h LEU 373 N -0.51 -0.54 -0.18 1.55 -0.00 -1.50 -3.40 115.31 110.73 3i3t h LEU 373 Ca 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3i3t h LEU 373 Cb 0.63 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 3i3t h LEU 373 CO -0.36 -0.15 -0.65 0.49 -0.00 0.00 0.00 178.44 177.77 3i3t n PHE 374 N -5.23 0.00 -4.16 1.13 3.72 -0.83 -0.11 117.46 111.98 3i3t n PHE 374 Ca -0.10 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 3i3t n PHE 374 Cb 0.30 0.00 -0.09 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 -2.35 4.67 0.00 -4.37 1.01 -1.20 -4.40 120.40 113.76 3i3t s VAL 375 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3i3t s VAL 375 Cb 0.12 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3i3t s VAL 375 CO 0.59 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.85 3i3t n GLY 376 N 2.66 4.44 3.10 4.51 0.00 0.12 -4.44 105.19 115.58 3i3t n GLY 376 Ca -0.18 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.29 0.26 0.29 1.61 0.74 -0.97 -0.90 119.66 119.40 3i3t s GLN 377 Ca 0.00 0.32 0.09 0.00 0.05 0.00 0.00 55.36 55.82 3i3t s GLN 377 Cb 0.00 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 3i3t s GLN 377 CO 0.00 -0.04 0.04 -0.51 -0.55 0.00 0.00 175.29 174.23 3i3t s LEU 378 N 0.17 3.19 -0.04 3.68 1.43 0.18 -0.96 118.68 126.34 3i3t s LEU 378 Ca -0.00 -0.71 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3i3t s LEU 378 Cb -0.02 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3i3t s LEU 378 CO -0.00 -0.10 -0.23 -0.75 0.23 0.00 0.00 176.35 175.51 3i3t s LYS 379 N -3.72 2.18 -0.10 1.70 2.20 -0.14 -1.96 119.74 119.90 3i3t s LYS 379 Ca 0.33 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 3i3t s LYS 379 Cb -0.05 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 3i3t s LYS 379 CO 0.21 0.38 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.95 3i3t s SER 380 N -0.22 2.10 -0.12 1.43 1.04 -0.63 -1.48 113.70 115.80 3i3t s SER 380 Ca -0.00 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.92 3i3t s SER 380 Cb -0.12 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 3i3t s SER 380 CO 0.02 -0.08 0.56 0.00 0.98 0.00 0.00 173.24 174.72 3i3t s LEU 382 N 0.93 4.15 -0.08 0.00 2.96 0.15 -2.10 118.68 124.69 3i3t s LEU 382 Ca 0.29 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 3i3t s LEU 382 Cb -0.16 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3i3t s LEU 382 CO 0.12 0.14 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.54 3i3t s LYS 383 N 0.57 2.77 -0.06 1.98 1.02 0.17 -0.51 119.74 125.68 3i3t s LYS 383 Ca 0.08 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 54.98 3i3t s LYS 383 Cb -0.12 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3i3t s LYS 383 CO 0.00 0.35 0.71 0.00 -0.92 0.00 0.00 175.35 175.48 3i3t n GLN 385 N 3.75 1.41 -0.07 0.00 1.13 -0.79 -1.45 117.38 121.35 3i3t n GLN 385 Ca -0.01 -0.62 -0.13 0.00 -1.94 0.00 0.00 57.00 54.29 3i3t n GLN 385 Cb 0.51 -1.25 -0.04 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.09 1.70 0.59 -1.58 0.00 -1.26 -4.78 120.51 115.09 3i3t n ALA 386 Ca 0.11 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 53.01 3i3t n ALA 386 Cb 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 1.38 0.49 3.71 0.00 0.00 -0.53 -5.02 105.19 105.22 3i3t n GLY 388 Ca 0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.93 2.98 -0.47 1.61 5.04 -1.25 -4.72 117.35 118.61 3i3t s TYR 389 Ca 0.00 0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 55.11 3i3t s TYR 389 Cb 0.00 -3.93 0.11 0.00 0.35 0.00 0.00 41.96 38.49 3i3t s TYR 389 CO 0.00 -3.49 0.35 1.03 -1.34 0.00 0.00 175.55 172.10 3i3t s ARG 390 N 1.34 2.59 -0.43 4.97 0.52 -1.26 -1.63 118.95 125.04 3i3t s ARG 390 Ca 0.71 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.04 3i3t s ARG 390 Cb -0.43 -3.95 0.02 0.00 0.52 0.00 0.00 34.95 31.11 3i3t s ARG 390 CO 0.31 -1.15 0.61 0.45 0.02 0.00 0.00 175.30 175.55 3i3t s SER 391 N 2.65 6.31 -0.18 0.23 0.15 0.33 -4.95 113.70 118.25 3i3t s SER 391 Ca 0.05 -0.36 -0.03 0.00 0.70 0.00 0.00 55.95 56.31 3i3t s SER 391 Cb -0.26 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3i3t s SER 391 CO 0.01 -0.74 -0.06 -0.89 1.20 0.00 0.00 173.24 172.75 3i3t s THR 392 N 2.72 3.40 0.08 6.45 2.01 -1.26 0.30 115.64 129.34 3i3t s THR 392 Ca 0.21 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.77 3i3t s THR 392 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3i3t s THR 392 CO 0.18 0.46 -0.18 0.28 -0.69 0.00 0.00 174.62 174.67 3i3t s THR 393 N 0.95 1.46 -0.02 -0.82 -1.32 -0.16 -4.98 115.64 110.74 3i3t s THR 393 Ca -0.01 -1.38 0.07 0.00 -1.21 0.00 0.00 61.69 59.16 3i3t s THR 393 Cb -0.15 -1.34 -0.02 0.00 -1.51 0.00 0.00 72.50 69.49 3i3t s THR 393 CO 0.00 -0.08 -0.23 -0.36 -2.21 0.00 0.00 174.62 171.74 3i3t s PHE 394 N -1.13 2.14 -0.02 9.09 0.08 -1.26 -1.61 117.98 125.26 3i3t s PHE 394 Ca 0.03 -0.45 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 3i3t s PHE 394 Cb -0.10 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3i3t s PHE 394 CO 0.03 -0.07 0.12 -1.21 -0.10 0.00 0.00 175.22 173.99 3i3t s GLU 395 N -0.47 0.29 0.48 0.44 2.02 -0.83 -4.99 118.70 115.64 3i3t s GLU 395 Ca 0.07 -0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.81 3i3t s GLU 395 Cb -0.10 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.18 3i3t s GLU 395 CO -0.00 -0.06 0.93 0.54 0.02 0.00 0.00 175.26 176.69 3i3t s VAL 396 N -0.59 4.59 0.01 2.63 0.11 -1.26 0.51 120.40 126.41 3i3t s VAL 396 Ca -0.07 1.08 -0.04 0.00 -2.93 0.00 0.00 61.98 60.02 3i3t s VAL 396 Cb -0.04 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 3i3t s VAL 396 CO 0.01 -0.62 0.07 0.72 -3.33 0.00 0.00 175.10 171.94 3i3t s PHE 397 N -2.53 0.14 -0.22 1.54 -0.12 -0.08 -4.83 117.98 111.89 3i3t s PHE 397 Ca 0.57 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 57.18 3i3t s PHE 397 Cb -0.10 -0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.12 3i3t s PHE 397 CO 0.30 -0.26 0.21 0.00 -0.05 0.00 0.00 175.22 175.42 3i3t s ASP 399 N -1.59 0.09 -0.23 0.00 -4.77 -1.26 -4.60 116.67 104.31 3i3t s ASP 399 Ca 0.02 -0.71 -0.01 0.00 -3.30 0.00 0.00 52.55 48.55 3i3t s ASP 399 Cb 0.04 0.37 0.02 0.00 -1.09 0.00 0.00 42.92 42.26 3i3t s ASP 399 CO 0.21 -0.78 -0.09 -0.76 0.70 0.00 0.00 175.17 174.45 3i3t s LEU 400 N -2.89 2.94 -0.43 2.11 1.02 -0.26 -5.00 118.68 116.17 3i3t s LEU 400 Ca 0.09 -0.80 -0.16 0.00 0.02 0.00 0.00 54.13 53.28 3i3t s LEU 400 Cb 0.04 -1.62 0.03 0.00 0.02 0.00 0.00 46.19 44.66 3i3t s LEU 400 CO -0.08 -0.09 0.36 -0.94 0.02 0.00 0.00 176.35 175.63 3i3t s SER 401 N 1.32 6.14 -0.20 2.29 1.04 -1.26 0.11 113.70 123.13 3i3t s SER 401 Ca 0.01 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.42 3i3t s SER 401 Cb -0.16 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 3i3t s SER 401 CO -0.06 -0.54 0.11 -0.76 0.98 0.00 0.00 173.24 172.97 3i3t s LEU 402 N 1.82 4.03 0.84 2.42 1.43 0.13 -4.87 118.68 124.47 3i3t s LEU 402 Ca 0.07 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3i3t s LEU 402 Cb -0.20 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.08 3i3t s LEU 402 CO 0.10 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.77 3i3t s PRO 403 N 0.55 1.72 -0.23 1.29 0.04 -1.26 0.44 135.00 137.56 3i3t s PRO 403 Ca 0.06 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.34 3i3t s PRO 403 Cb -0.12 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3i3t s PRO 403 CO 0.00 -2.04 -0.14 0.42 0.04 0.00 0.00 177.00 175.28 3i3t s ILE 404 N -2.83 2.20 0.69 0.56 -1.09 -1.26 -4.67 121.20 114.79 3i3t s ILE 404 Ca 0.63 -1.30 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 3i3t s ILE 404 Cb -0.19 -2.13 0.01 0.00 -1.58 0.00 0.00 42.46 38.57 3i3t s ILE 404 CO 0.57 0.22 1.28 -2.65 -1.23 0.00 0.00 174.94 173.12 3i3t n PRO 405 N 4.53 0.89 0.12 2.79 -0.02 -1.26 -4.97 135.00 137.07 3i3t n PRO 405 Ca -0.17 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 3i3t n PRO 405 Cb 0.46 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3i3t n PRO 405 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3i3t h LYS 406 N 0.17 -0.34 0.00 -0.52 2.10 -2.02 -3.50 116.57 112.47 3i3t h LYS 406 Ca -0.50 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3i3t h LYS 406 Cb 1.33 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3i3t h LYS 406 CO 0.51 0.02 0.00 0.36 -2.00 0.00 0.00 179.45 178.34 3i3t n LYS 407 N -5.04 0.00 0.00 0.07 2.85 -1.26 -5.08 118.16 109.70 3i3t n LYS 407 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 3i3t n LYS 407 Cb 0.26 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 3i3t n LYS 407 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i3t n VAL 414 N -0.01 0.00 -4.21 0.58 0.31 -1.26 -5.13 118.33 108.60 3i3t n VAL 414 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 3i3t n VAL 414 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 4.70 0.41 4.52 1.04 -1.26 -1.69 113.70 121.42 3i3t s SER 415 Ca 0.00 -0.64 0.12 0.00 0.48 0.00 0.00 55.95 55.91 3i3t s SER 415 Cb 0.00 -0.88 0.95 0.00 0.10 0.00 0.00 66.02 66.19 3i3t s SER 415 CO 0.00 -0.10 1.94 0.25 0.98 0.00 0.00 173.24 176.31 3i3t h LEU 416 N 1.73 0.47 -1.33 2.42 5.85 -0.94 0.04 115.31 123.56 3i3t h LEU 416 Ca -0.45 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3i3t h LEU 416 Cb 1.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3i3t h LEU 416 CO 0.61 0.27 0.05 -0.09 -0.34 0.00 0.00 178.44 178.94 3i3t h ARG 417 N 0.52 0.50 -0.25 1.25 2.43 -1.95 -1.49 114.38 115.39 3i3t h ARG 417 Ca 0.34 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3i3t h ARG 417 Cb 0.61 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3i3t h ARG 417 CO -0.11 0.49 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.35 3i3t h ASP 418 N 0.49 0.36 0.46 -3.80 3.32 -1.38 -1.57 116.42 114.30 3i3t h ASP 418 Ca 0.11 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 3i3t h ASP 418 Cb 0.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3i3t h ASP 418 CO 0.00 0.46 -0.55 0.00 -1.72 0.00 0.00 179.24 177.44 3i3t h PHE 420 N 0.07 0.27 -0.81 0.00 0.04 -1.20 -2.31 116.94 112.99 3i3t h PHE 420 Ca -0.00 -0.10 0.20 0.00 2.80 0.00 0.00 57.97 60.87 3i3t h PHE 420 Cb 0.99 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 38.96 3i3t h PHE 420 CO 0.01 0.74 0.18 -0.91 -0.60 0.00 0.00 178.31 177.73 3i3t h ASN 421 N -0.29 -0.05 0.35 2.17 2.35 -1.06 0.18 115.58 119.22 3i3t h ASN 421 Ca 0.00 0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.80 3i3t h ASN 421 Cb 0.73 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3i3t h ASN 421 CO 0.03 -0.12 -0.53 0.25 -1.65 0.00 0.00 177.43 175.42 3i3t h LEU 422 N 0.22 0.22 -1.58 1.61 5.85 -1.38 0.17 115.31 120.42 3i3t h LEU 422 Ca 0.48 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 3i3t h LEU 422 Cb 0.90 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3i3t h LEU 422 CO -0.61 0.71 -0.19 0.15 -0.34 0.00 0.00 178.44 178.17 3i3t h PHE 423 N 0.16 0.00 0.00 1.25 3.57 -0.13 -3.30 116.94 118.49 3i3t h PHE 423 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i3t h PHE 423 Cb 0.99 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3i3t h PHE 423 CO 0.02 0.19 -1.53 2.41 -2.23 0.00 0.00 178.31 177.17 3i3t n THR 424 N -3.61 0.00 -1.67 4.41 -1.04 -0.22 -4.39 114.28 107.77 3i3t n THR 424 Ca -0.01 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.26 3i3t n THR 424 Cb 0.32 0.28 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.91 1.92 -1.92 -2.82 4.81 -0.01 -4.32 118.16 113.91 3i3t n LYS 425 Ca -0.02 0.67 -0.42 0.00 -0.87 0.00 0.00 58.31 57.67 3i3t n LYS 425 Cb 0.35 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 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 -1.63 3.90 0.01 1.64 8.01 -1.26 -4.56 118.70 124.82 3i3t s GLU 426 Ca 0.58 2.08 0.02 0.00 0.01 0.00 0.00 54.97 57.66 3i3t s GLU 426 Cb -0.61 -4.09 -0.04 0.00 -4.31 0.00 0.00 34.13 25.08 3i3t s GLU 426 CO 0.60 -1.19 -0.02 -1.21 0.01 0.00 0.00 175.26 173.46 3i3t s GLU 427 N 4.64 2.70 -0.15 1.61 2.02 -0.73 -4.92 118.70 123.88 3i3t s GLU 427 Ca 0.79 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 3i3t s GLU 427 Cb -0.32 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 3i3t s GLU 427 CO 0.33 0.61 1.18 -1.21 0.02 0.00 0.00 175.26 176.19 3i3t s GLU 428 N -1.61 4.28 -0.33 1.61 2.02 -1.26 -1.54 118.70 121.87 3i3t s GLU 428 Ca 0.20 1.58 -0.10 0.00 0.02 0.00 0.00 54.97 56.67 3i3t s GLU 428 Cb -0.11 -3.67 0.01 0.00 0.10 0.00 0.00 34.13 30.45 3i3t s GLU 428 CO 0.10 -0.60 0.17 -0.51 0.02 0.00 0.00 175.26 174.45 3i3t s LEU 429 N 3.01 4.31 0.11 1.80 1.43 -0.05 -4.98 118.68 124.30 3i3t s LEU 429 Ca 0.52 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3i3t s LEU 429 Cb -0.21 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3i3t s LEU 429 CO 0.15 -0.26 0.05 -1.83 0.23 0.00 0.00 176.35 174.69 3i3t s GLU 430 N 1.59 0.84 5.24 1.70 -1.05 -1.26 -1.83 118.70 123.93 3i3t s GLU 430 Ca 0.04 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 3i3t s GLU 430 Cb -0.18 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3i3t s GLU 430 CO 0.06 -0.22 0.00 -1.13 0.95 0.00 0.00 175.26 174.92 3i3t n SER 431 N -0.04 0.00 0.19 0.83 3.41 -1.26 -2.21 113.62 114.54 3i3t n SER 431 Ca -0.09 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.63 3i3t n SER 431 Cb 0.63 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.15 3i3t n SER 431 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3i3t h GLU 432 N 0.00 0.00 -0.02 4.33 -0.00 -1.97 0.49 114.58 117.41 3i3t h GLU 432 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3i3t h GLU 432 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3i3t h GLU 432 CO 0.00 0.00 -0.13 0.09 -0.00 0.00 0.00 179.01 178.97 3i3t n ASN 433 N -2.29 2.53 -4.69 3.06 3.02 -0.94 -4.91 115.26 111.04 3i3t n ASN 433 Ca -0.01 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 3i3t n ASN 433 Cb 0.15 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.14 3.67 0.57 5.41 0.00 0.16 -4.19 121.76 125.24 3i3t s ALA 434 Ca 0.26 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 3i3t s ALA 434 Cb 0.20 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3i3t s ALA 434 CO 0.38 -1.02 1.04 -1.25 0.00 0.00 0.00 175.76 174.91 3i3t s PRO 435 N 2.41 3.46 -0.25 0.00 0.04 -1.26 -4.90 135.00 134.50 3i3t s PRO 435 Ca 0.71 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 3i3t s PRO 435 Cb -0.38 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3i3t s PRO 435 CO 0.31 -0.69 1.16 0.14 0.04 0.00 0.00 177.00 177.97 3i3t s VAL 436 N -2.49 4.42 0.61 -0.36 -7.23 -1.26 -4.45 120.40 109.64 3i3t s VAL 436 Ca 0.63 1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 62.28 3i3t s VAL 436 Cb -0.15 -4.21 -0.03 0.00 0.56 0.00 0.00 36.38 32.55 3i3t s VAL 436 CO 0.35 -0.30 1.32 0.00 -0.31 0.00 0.00 175.10 176.17 3i3t h ASP 438 N 0.92 0.00 0.00 0.00 3.32 -1.94 -2.31 116.42 116.41 3i3t h ASP 438 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 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 0.55 0.87 0.00 0.54 -1.72 0.00 0.00 179.24 179.48 3i3t n ARG 439 N -3.36 0.00 0.16 3.56 1.74 -1.26 -4.45 116.66 113.05 3i3t n ARG 439 Ca 0.00 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 3i3t n ARG 439 Cb 0.87 -0.88 0.48 0.00 -1.02 0.00 0.00 32.46 31.91 3i3t n ARG 439 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3t n ARG 441 N -2.47 -3.46 -4.38 0.00 1.74 -0.87 -5.00 116.66 102.22 3i3t n ARG 441 Ca 0.03 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.77 3i3t n ARG 441 Cb 0.32 -5.65 -0.11 0.00 -1.02 0.00 0.00 32.46 26.00 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 -5.45 1.41 -1.06 5.56 0.74 -1.26 -4.84 119.66 114.78 3i3t s GLN 442 Ca 0.18 -1.54 -0.06 0.00 0.05 0.00 0.00 55.36 53.99 3i3t s GLN 442 Cb -0.08 -1.47 0.06 0.00 1.10 0.00 0.00 33.01 32.62 3i3t s GLN 442 CO 0.22 0.29 2.62 1.63 -0.55 0.00 0.00 175.29 179.51 3i3t n LYS 443 N -0.05 3.79 -2.64 1.67 5.02 -1.26 -2.60 118.16 122.08 3i3t n LYS 443 Ca -0.10 -2.89 -0.22 0.00 -2.02 0.00 0.00 58.31 53.07 3i3t n LYS 443 Cb 0.58 -2.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.94 2.31 0.36 -0.18 -1.32 -1.26 -4.81 115.64 109.81 3i3t s THR 444 Ca 0.58 -0.65 -0.24 0.00 -1.21 0.00 0.00 61.69 60.16 3i3t s THR 444 Cb 0.24 -2.66 -0.14 0.00 -1.51 0.00 0.00 72.50 68.44 3i3t s THR 444 CO -0.12 0.00 0.57 0.54 -2.21 0.00 0.00 174.62 173.40 3i3t n ARG 445 N -2.62 0.55 -4.18 7.08 1.74 -1.26 -4.67 116.66 113.29 3i3t n ARG 445 Ca 0.13 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 3i3t n ARG 445 Cb 0.60 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.90 0.44 -0.06 0.55 0.01 -0.76 -1.88 113.70 111.10 3i3t s SER 446 Ca 0.62 -1.26 0.02 0.00 1.31 0.00 0.00 55.95 56.64 3i3t s SER 446 Cb -0.68 0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.86 3i3t s SER 446 CO 0.59 -0.74 -0.09 -0.89 0.41 0.00 0.00 173.24 172.52 3i3t s THR 447 N -4.01 0.85 -0.09 1.44 2.01 0.42 -0.87 115.64 115.39 3i3t s THR 447 Ca 0.29 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3i3t s THR 447 Cb 0.07 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.77 3i3t s THR 447 CO 0.05 0.29 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.33 3i3t s LYS 448 N 0.78 2.51 -0.05 4.92 2.20 -0.59 0.45 119.74 129.96 3i3t s LYS 448 Ca -0.13 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 54.77 3i3t s LYS 448 Cb -0.15 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.26 3i3t s LYS 448 CO 0.02 0.12 0.11 0.21 -0.36 0.00 0.00 175.35 175.45 3i3t s LYS 449 N 0.48 0.06 -0.14 4.03 2.20 -0.89 -1.78 119.74 123.70 3i3t s LYS 449 Ca -0.17 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.67 3i3t s LYS 449 Cb -0.17 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3i3t s LYS 449 CO 0.07 -0.16 0.13 -0.51 -0.36 0.00 0.00 175.35 174.52 3i3t s LEU 450 N 1.07 4.31 0.05 5.43 1.02 -1.25 -2.40 118.68 126.91 3i3t s LEU 450 Ca -0.08 0.40 -0.04 0.00 0.02 0.00 0.00 54.13 54.42 3i3t s LEU 450 Cb -0.11 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 3i3t s LEU 450 CO -0.05 0.35 0.07 0.42 0.02 0.00 0.00 176.35 177.16 3i3t s THR 451 N -0.66 0.16 -0.30 5.49 -4.23 -0.55 -4.44 115.64 111.10 3i3t s THR 451 Ca 0.13 -1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 3i3t s THR 451 Cb -0.12 -1.15 -0.00 0.00 1.34 0.00 0.00 72.50 72.57 3i3t s THR 451 CO 0.02 -0.73 0.76 -0.69 -0.54 0.00 0.00 174.62 173.44 3i3t s VAL 452 N -3.22 4.82 -0.05 2.29 1.01 0.07 -0.96 120.40 124.36 3i3t s VAL 452 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 3i3t s VAL 452 Cb 0.03 -4.12 -0.31 0.00 0.00 0.00 0.00 36.38 31.98 3i3t s VAL 452 CO -0.07 -0.23 0.68 -0.61 0.00 0.00 0.00 175.10 174.87 3i3t h GLN 453 N 8.12 0.39 -3.93 2.72 5.75 -1.35 -2.39 115.11 124.42 3i3t h GLN 453 Ca -0.25 -0.66 -0.36 0.00 -0.15 0.00 0.00 58.65 57.23 3i3t h GLN 453 Cb 1.10 0.25 -0.33 0.00 1.07 0.00 0.00 27.48 29.57 3i3t h GLN 453 CO 0.87 1.31 -0.76 1.03 -2.65 0.00 0.00 178.83 178.63 3i3t s ARG 454 N -2.58 0.52 -0.04 1.69 0.52 -0.83 -4.75 118.95 113.47 3i3t s ARG 454 Ca -0.16 -0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 3i3t s ARG 454 Cb 0.05 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 3i3t s ARG 454 CO 0.85 -0.07 0.29 -0.06 0.02 0.00 0.00 175.30 176.33 3i3t s PHE 455 N 0.77 3.66 0.63 -0.53 0.40 -1.26 -2.29 117.98 119.36 3i3t s PHE 455 Ca -0.09 0.76 -0.04 0.00 -0.60 0.00 0.00 56.93 56.96 3i3t s PHE 455 Cb -0.12 -2.12 0.04 0.00 0.51 0.00 0.00 43.02 41.33 3i3t s PHE 455 CO -0.01 0.68 0.92 -1.25 0.70 0.00 0.00 175.22 176.26 3i3t s PRO 456 N -1.16 2.49 0.06 0.24 0.04 -1.26 -4.90 135.00 130.52 3i3t s PRO 456 Ca 0.21 -0.31 -0.19 0.00 0.04 0.00 0.00 61.00 60.75 3i3t s PRO 456 Cb -0.14 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 32.00 3i3t s PRO 456 CO 0.10 -0.95 1.43 0.00 0.04 0.00 0.00 177.00 177.62 3i3t h ARG 457 N -0.31 0.41 -4.95 4.56 3.08 -1.54 -3.41 114.38 112.22 3i3t h ARG 457 Ca -0.44 -0.17 -0.65 0.00 0.07 0.00 0.00 59.98 58.78 3i3t h ARG 457 Cb 1.29 -0.01 -0.25 0.00 0.08 0.00 0.00 29.97 31.08 3i3t h ARG 457 CO 0.59 0.69 -0.66 0.42 -1.07 0.00 0.00 179.97 179.93 3i3t s ILE 458 N -4.63 3.95 -0.27 2.04 -1.09 0.85 -1.85 121.20 120.19 3i3t s ILE 458 Ca -0.14 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 57.81 3i3t s ILE 458 Cb 0.06 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3i3t s ILE 458 CO 0.75 0.35 0.32 -0.22 -1.23 0.00 0.00 174.94 174.91 3i3t s LEU 459 N 1.56 4.04 -0.27 2.97 0.20 0.27 -4.33 118.68 123.12 3i3t s LEU 459 Ca 0.06 0.22 -0.08 0.00 0.69 0.00 0.00 54.13 55.02 3i3t s LEU 459 Cb -0.15 -2.34 -0.02 0.00 -0.43 0.00 0.00 46.19 43.25 3i3t s LEU 459 CO 0.01 -0.14 0.10 -0.69 -0.29 0.00 0.00 176.35 175.34 3i3t s VAL 460 N 1.94 4.41 -0.16 1.68 1.01 -1.26 -0.33 120.40 127.69 3i3t s VAL 460 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3i3t s VAL 460 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3i3t s VAL 460 CO 0.10 0.23 -0.08 -0.76 0.00 0.00 0.00 175.10 174.58 3i3t s LEU 461 N 1.61 2.94 -0.33 3.92 1.43 -0.41 -1.10 118.68 126.74 3i3t s LEU 461 Ca 0.05 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3i3t s LEU 461 Cb -0.16 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.41 3i3t s LEU 461 CO 0.05 0.13 0.09 -2.28 0.23 0.00 0.00 176.35 174.56 3i3t s HIS 462 N 0.57 3.27 -0.32 0.29 5.65 0.29 -0.39 115.29 124.66 3i3t s HIS 462 Ca -0.05 -1.59 -0.29 0.00 0.25 0.00 0.00 55.06 53.38 3i3t s HIS 462 Cb -0.15 -2.30 -0.01 0.00 -1.18 0.00 0.00 32.58 28.94 3i3t s HIS 462 CO 0.03 -0.76 1.47 -0.51 -0.65 0.00 0.00 174.74 174.31 3i3t s LEU 463 N 1.35 3.76 -1.51 8.88 1.43 0.30 0.19 118.68 133.07 3i3t s LEU 463 Ca -0.02 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3i3t s LEU 463 Cb -0.20 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3i3t s LEU 463 CO 0.01 -1.30 2.47 -3.20 0.23 0.00 0.00 176.35 174.57 3i3t n ASN 464 N 8.47 5.59 -2.64 2.29 4.05 0.17 -4.82 115.26 128.37 3i3t n ASN 464 Ca 0.17 -2.76 -0.07 0.00 0.45 0.00 0.00 54.58 52.37 3i3t n ASN 464 Cb 0.47 -1.62 -0.03 0.00 1.23 0.00 0.00 39.78 39.82 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 5.14 0.80 -4.12 1.20 1.74 -1.26 -4.55 116.66 115.60 3i3t n ARG 465 Ca 0.61 -0.57 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 3i3t n ARG 465 Cb 0.33 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.76 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 3.08 0.57 -0.03 -1.55 0.08 -1.26 -1.77 117.98 117.10 3i3t s PHE 466 Ca 0.20 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.01 3i3t s PHE 466 Cb 0.08 -0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 3i3t s PHE 466 CO -0.01 -0.04 -0.10 -1.54 -0.10 0.00 0.00 175.22 173.43 3i3t s SER 467 N -0.75 1.38 0.57 1.36 1.04 -0.61 -4.79 113.70 111.91 3i3t s SER 467 Ca -0.03 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.25 3i3t s SER 467 Cb -0.05 -0.42 0.07 0.00 0.10 0.00 0.00 66.02 65.71 3i3t s SER 467 CO 0.00 0.07 0.56 0.00 0.98 0.00 0.00 173.24 174.85 3i3t s ALA 468 N 0.27 4.59 -0.09 5.32 0.00 -1.26 -1.58 121.76 129.01 3i3t s ALA 468 Ca -0.05 -1.53 -0.32 0.00 0.00 0.00 0.00 51.96 50.06 3i3t s ALA 468 Cb -0.10 -0.97 0.13 0.00 0.00 0.00 0.00 23.12 22.18 3i3t s ALA 468 CO 0.01 -0.64 1.41 0.45 0.00 0.00 0.00 175.76 176.99 3i3t s SER 469 N -4.45 -0.01 0.01 0.00 0.15 -1.08 -4.96 113.70 103.36 3i3t s SER 469 Ca 0.43 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.00 3i3t s SER 469 Cb -0.03 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 3i3t s SER 469 CO 0.27 -0.05 1.05 0.03 1.20 0.00 0.00 173.24 175.74 3i3t h ARG 470 N 2.00 -0.19 -0.45 5.44 -0.00 -2.06 -3.36 114.38 115.76 3i3t h ARG 470 Ca -0.30 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.26 3i3t h ARG 470 Cb 1.19 0.04 -0.09 0.00 0.00 0.00 0.00 29.97 31.11 3i3t h ARG 470 CO 0.30 -0.13 -0.47 0.78 0.00 0.00 0.00 179.97 180.45 3i3t h GLY 471 N -0.20 -0.68 -1.59 0.04 0.00 -2.04 -3.47 103.07 95.13 3i3t h GLY 471 Ca -0.02 0.61 -0.20 0.00 0.00 0.00 0.00 47.33 47.71 3i3t h GLY 471 CO 0.03 -0.16 -0.08 -1.35 0.00 0.00 0.00 176.54 174.99 3i3t s SER 472 N -5.08 0.65 -0.06 0.19 1.04 -1.26 -5.16 113.70 104.02 3i3t s SER 472 Ca -0.14 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 54.95 3i3t s SER 472 Cb 0.11 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 3i3t s SER 472 CO 0.64 -1.38 -0.17 -0.63 0.98 0.00 0.00 173.24 172.68 3i3t s ILE 473 N -2.94 2.77 0.09 -1.02 1.09 -1.26 -2.64 121.20 117.28 3i3t s ILE 473 Ca 0.26 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 59.03 3i3t s ILE 473 Cb -0.02 -2.07 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 3i3t s ILE 473 CO 0.18 0.58 -0.09 -0.54 -0.10 0.00 0.00 174.94 174.96 3i3t s LYS 474 N -0.46 0.78 0.28 2.79 -0.14 -0.62 -4.95 119.74 117.43 3i3t s LYS 474 Ca 0.05 -1.10 -0.29 0.00 -1.36 0.00 0.00 55.97 53.27 3i3t s LYS 474 Cb -0.12 -0.45 -0.10 0.00 -1.68 0.00 0.00 37.83 35.48 3i3t s LYS 474 CO 0.02 0.07 1.29 0.21 -0.76 0.00 0.00 175.35 176.17 3i3t s LYS 475 N -2.66 4.40 -0.10 1.68 2.20 -1.26 -1.57 119.74 122.43 3i3t s LYS 475 Ca 0.03 2.12 -0.24 0.00 -0.36 0.00 0.00 55.97 57.52 3i3t s LYS 475 Cb -0.03 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 3i3t s LYS 475 CO -0.01 -0.16 0.75 -1.12 -0.36 0.00 0.00 175.35 174.46 3i3t s SER 476 N -0.26 6.99 -0.03 1.43 0.01 -0.73 -4.81 113.70 116.30 3i3t s SER 476 Ca 0.51 1.20 0.21 0.00 1.31 0.00 0.00 55.95 59.17 3i3t s SER 476 Cb -0.38 -2.43 0.64 0.00 0.21 0.00 0.00 66.02 64.06 3i3t s SER 476 CO 0.46 -0.22 1.54 -1.20 0.41 0.00 0.00 173.24 174.24 3i3t n SER 477 N 4.27 4.08 -4.54 2.44 7.64 -1.26 -4.83 113.62 121.43 3i3t n SER 477 Ca 0.01 -2.12 -0.63 0.00 1.01 0.00 0.00 58.87 57.14 3i3t n SER 477 Cb 0.50 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.41 0.03 -1.68 0.44 0.31 -1.26 -4.84 118.33 112.74 3i3t n VAL 478 Ca 0.24 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 64.11 3i3t n VAL 478 Cb 0.68 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 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 5.50 0.90 2.99 2.92 0.00 -1.26 -4.99 105.19 111.24 3i3t n GLY 479 Ca 0.41 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.66 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 0.08 1.34 -0.41 1.61 1.01 -1.26 -4.47 120.40 118.30 3i3t s VAL 480 Ca 0.69 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3i3t s VAL 480 Cb -0.63 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.48 3i3t s VAL 480 CO 0.48 0.42 0.56 -0.62 0.00 0.00 0.00 175.10 175.94 3i3t s ASP 481 N 1.41 6.30 0.00 3.32 3.68 -0.68 -4.88 116.67 125.82 3i3t s ASP 481 Ca 0.01 -0.32 0.08 0.00 2.13 0.00 0.00 52.55 54.46 3i3t s ASP 481 Cb -0.13 -2.29 -0.02 0.00 -1.45 0.00 0.00 42.92 39.03 3i3t s ASP 481 CO -0.07 -0.65 -0.25 0.72 0.13 0.00 0.00 175.17 175.05 3i3t s PHE 482 N 2.55 2.37 0.31 -5.34 -0.12 -1.26 -0.22 117.98 116.28 3i3t s PHE 482 Ca 0.19 -0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.39 3i3t s PHE 482 Cb -0.15 -1.47 -0.09 0.00 -0.63 0.00 0.00 43.02 40.67 3i3t s PHE 482 CO 0.16 0.05 1.09 -2.14 -0.05 0.00 0.00 175.22 174.33 3i3t s PRO 483 N -0.88 4.49 -0.01 1.99 0.02 -1.26 -4.96 135.00 134.39 3i3t s PRO 483 Ca 0.11 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.89 3i3t s PRO 483 Cb -0.10 -3.01 -0.25 0.00 0.02 0.00 0.00 34.50 31.16 3i3t s PRO 483 CO 0.01 0.10 0.78 -0.07 -0.33 0.00 0.00 177.00 177.48 3i3t h LEU 484 N 3.44 0.24 0.00 -5.54 4.07 -1.95 -3.41 115.31 112.15 3i3t h LEU 484 Ca -0.47 -0.38 -0.11 0.00 0.08 0.00 0.00 57.88 57.00 3i3t h LEU 484 Cb 1.21 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.86 3i3t h LEU 484 CO 0.66 1.33 -1.37 0.00 -1.08 0.00 0.00 178.44 177.97 3i3t n GLN 485 N -3.33 0.15 -3.94 1.13 1.13 -1.26 -1.14 117.38 110.12 3i3t n GLN 485 Ca -0.17 0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.63 3i3t n GLN 485 Cb 1.04 -0.84 -0.14 0.00 0.11 0.00 0.00 30.24 30.41 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 -2.12 1.89 -0.07 -1.09 3.52 -1.26 -4.17 118.95 115.64 3i3t s ARG 486 Ca -0.09 -2.34 -0.16 0.00 -0.13 0.00 0.00 55.73 53.01 3i3t s ARG 486 Cb 0.03 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3i3t s ARG 486 CO 0.13 -1.06 0.41 -1.17 -0.81 0.00 0.00 175.30 172.80 3i3t s LEU 487 N 0.18 4.36 -0.24 -0.88 2.96 0.82 -4.82 118.68 121.06 3i3t s LEU 487 Ca 0.15 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 3i3t s LEU 487 Cb -0.23 -2.59 0.09 0.00 0.50 0.00 0.00 46.19 43.96 3i3t s LEU 487 CO -0.03 0.17 0.12 -0.55 -1.32 0.00 0.00 176.35 174.73 3i3t s SER 488 N -0.18 3.03 -0.26 3.68 0.15 -1.26 0.91 113.70 119.76 3i3t s SER 488 Ca 0.23 -1.01 0.09 0.00 0.70 0.00 0.00 55.95 55.96 3i3t s SER 488 Cb -0.15 -0.28 0.44 0.00 -1.71 0.00 0.00 66.02 64.32 3i3t s SER 488 CO 0.10 -0.40 1.23 0.00 1.20 0.00 0.00 173.24 175.38 3i3t n LEU 489 N 5.26 3.93 -0.32 3.45 -0.00 -1.00 -4.73 117.00 123.60 3i3t n LEU 489 Ca -0.06 -4.31 0.15 0.00 -0.00 0.00 0.00 56.01 51.78 3i3t n LEU 489 Cb 0.45 -0.45 0.38 0.00 -0.00 0.00 0.00 43.42 43.80 3i3t n LEU 489 CO 0.06 1.74 1.21 1.23 -0.00 0.00 0.00 177.39 181.63 3i3t h GLY 490 N 1.58 1.47 2.00 1.47 0.00 -1.86 -1.13 103.07 106.60 3i3t h GLY 490 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3i3t h GLY 490 CO 0.41 -0.03 0.00 1.22 0.00 0.00 0.00 176.54 178.14 3i3t n ASP 491 N -4.67 0.09 -0.29 0.19 9.92 -1.26 -1.82 116.55 118.71 3i3t n ASP 491 Ca 0.22 0.54 0.03 0.00 -0.53 0.00 0.00 54.79 55.05 3i3t n ASP 491 Cb 0.61 -0.55 0.04 0.00 -0.64 0.00 0.00 41.12 40.58 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 -1.62 0.07 -2.68 1.24 3.72 -0.43 -5.03 117.46 112.72 3i3t n PHE 492 Ca 0.00 -0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 3i3t n PHE 492 Cb 0.04 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.30 0.37 -2.21 4.37 0.00 -0.76 -0.75 120.51 121.82 3i3t n ALA 493 Ca 0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 53.44 51.49 3i3t n ALA 493 Cb 0.21 0.36 0.08 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.81 2.18 -3.64 0.00 3.41 -0.90 -4.71 113.62 107.15 3i3t n SER 494 Ca 0.16 -2.93 -0.28 0.00 -0.26 0.00 0.00 58.87 55.56 3i3t n SER 494 Cb 0.59 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 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 -3.09 3.22 0.36 4.04 1.04 -1.26 -5.12 113.70 112.89 3i3t s SER 499 Ca 0.37 -2.96 -0.28 0.00 0.48 0.00 0.00 55.95 53.57 3i3t s SER 499 Cb 0.37 -0.94 -0.10 0.00 0.10 0.00 0.00 66.02 65.46 3i3t s SER 499 CO -0.07 -0.21 1.30 -2.16 0.98 0.00 0.00 173.24 173.09 3i3t s PRO 500 N -0.04 4.21 -0.15 4.02 0.04 -1.26 -4.76 135.00 137.07 3i3t s PRO 500 Ca 0.23 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.47 3i3t s PRO 500 Cb -0.12 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.49 3i3t s PRO 500 CO -0.09 -0.30 -0.16 0.08 0.04 0.00 0.00 177.00 176.57 3i3t s VAL 501 N -1.19 1.73 0.18 -0.36 1.01 -1.26 -2.38 120.40 118.13 3i3t s VAL 501 Ca 0.52 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3i3t s VAL 501 Cb -0.39 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3i3t s VAL 501 CO 0.51 0.49 0.05 -0.31 0.00 0.00 0.00 175.10 175.83 3i3t s TYR 502 N 1.32 2.93 -0.04 5.22 2.02 0.26 0.84 117.35 129.90 3i3t s TYR 502 Ca 0.03 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3i3t s TYR 502 Cb -0.13 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 3i3t s TYR 502 CO -0.10 0.53 -0.10 -1.14 -1.57 0.00 0.00 175.55 173.17 3i3t s GLN 503 N -3.09 1.18 0.17 -0.62 0.74 -0.50 -0.13 119.66 117.41 3i3t s GLN 503 Ca 0.29 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 3i3t s GLN 503 Cb -0.09 -1.07 -0.08 0.00 1.10 0.00 0.00 33.01 32.87 3i3t s GLN 503 CO 0.20 0.10 1.27 -1.17 -0.55 0.00 0.00 175.29 175.14 3i3t s LEU 504 N 0.31 4.42 0.00 3.68 2.96 -0.30 -0.73 118.68 129.02 3i3t s LEU 504 Ca -0.06 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 3i3t s LEU 504 Cb -0.11 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3i3t s LEU 504 CO 0.01 -0.48 0.00 0.00 -1.32 0.00 0.00 176.35 174.56 3i3t n TYR 505 N 2.91 0.00 -3.58 5.38 4.11 -0.62 -4.89 117.16 120.47 3i3t n TYR 505 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.85 3i3t n TYR 505 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.72 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 -0.95 -1.90 0.06 -3.48 0.00 -1.21 0.27 121.76 114.55 3i3t s ALA 506 Ca 0.00 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.59 3i3t s ALA 506 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3i3t s ALA 506 CO 0.00 -0.31 -0.10 -0.51 0.00 0.00 0.00 175.76 174.84 3i3t s LEU 507 N -0.87 2.30 -0.18 0.00 1.02 -0.48 0.16 118.68 120.62 3i3t s LEU 507 Ca -0.03 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 53.43 3i3t s LEU 507 Cb -0.01 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.87 3i3t s LEU 507 CO 0.02 -0.18 0.05 0.00 0.02 0.00 0.00 176.35 176.25 3i3t s ASN 509 N 0.44 3.38 -0.06 0.00 3.84 0.22 -0.15 114.94 122.61 3i3t s ASN 509 Ca 0.02 -0.55 0.02 0.00 0.21 0.00 0.00 52.86 52.57 3i3t s ASN 509 Cb -0.13 -0.39 0.01 0.00 -0.55 0.00 0.00 41.25 40.20 3i3t s ASN 509 CO 0.01 0.25 -0.12 -2.28 -2.79 0.00 0.00 177.10 172.18 3i3t s HIS 510 N -0.85 1.37 -0.19 0.43 5.65 -1.26 -1.48 115.29 118.96 3i3t s HIS 510 Ca 0.13 -0.47 0.01 0.00 0.25 0.00 0.00 55.06 54.97 3i3t s HIS 510 Cb -0.10 -1.00 0.03 0.00 -1.18 0.00 0.00 32.58 30.32 3i3t s HIS 510 CO 0.03 -0.24 -0.16 0.45 -0.65 0.00 0.00 174.74 174.17 3i3t s SER 511 N 0.57 3.26 0.00 9.88 0.15 -0.35 -4.86 113.70 122.36 3i3t s SER 511 Ca -0.12 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.77 3i3t s SER 511 Cb -0.15 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 3i3t s SER 511 CO 0.03 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.02 3i3t n GLY 512 N 4.63 0.12 0.00 9.45 0.00 -1.26 0.09 105.19 118.22 3i3t n GLY 512 Ca -0.18 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.57 0.07 1.61 3.41 0.90 -4.97 113.62 115.22 3i3t n SER 513 Ca 0.00 -0.76 0.04 0.00 -0.26 0.00 0.00 58.87 57.88 3i3t n SER 513 Cb 0.00 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.76 1.12 0.00 -3.33 2.07 -1.93 -2.84 116.25 112.10 3i3t h VAL 514 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3i3t h VAL 514 Cb 0.00 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3i3t h VAL 514 CO 0.00 0.15 -1.41 1.41 0.02 0.00 0.00 177.57 177.73 3i3t n HIS 515 N -4.40 0.19 -3.56 1.57 8.25 -1.26 -4.98 115.22 111.03 3i3t n HIS 515 Ca 0.01 0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 3i3t n HIS 515 Cb 0.15 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.31 -0.50 -3.97 4.41 -0.85 -1.07 -4.97 117.35 107.09 3i3t s TYR 516 Ca -0.01 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 3i3t s TYR 516 Cb 0.14 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3i3t s TYR 516 CO 0.86 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 174.67 3i3t n GLY 517 N 0.59 -0.56 2.89 5.49 0.00 -1.26 -0.07 105.19 112.29 3i3t n GLY 517 Ca -0.19 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.96 0.22 -0.07 1.61 2.46 0.11 -4.95 115.29 110.71 3i3t s HIS 518 Ca 0.00 -0.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.47 3i3t s HIS 518 Cb 0.00 -0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.24 3i3t s HIS 518 CO 0.00 -0.02 0.07 0.71 -2.47 0.00 0.00 174.74 173.03 3i3t s TYR 519 N 0.11 3.35 0.30 3.88 2.02 -1.26 -1.20 117.35 124.55 3i3t s TYR 519 Ca -0.01 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 3i3t s TYR 519 Cb -0.03 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 3i3t s TYR 519 CO -0.00 0.58 0.08 0.95 -1.57 0.00 0.00 175.55 175.59 3i3t s THR 520 N -1.04 0.88 0.06 -0.71 -4.23 -0.55 -4.76 115.64 105.30 3i3t s THR 520 Ca 0.17 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3i3t s THR 520 Cb -0.12 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 3i3t s THR 520 CO 0.07 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 173.98 3i3t s ALA 521 N -3.48 1.46 -0.13 3.99 0.00 -0.92 -0.61 121.76 122.07 3i3t s ALA 521 Ca 0.36 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3i3t s ALA 521 Cb 0.08 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3i3t s ALA 521 CO 0.15 0.28 -0.16 -0.51 0.00 0.00 0.00 175.76 175.52 3i3t s LEU 522 N -1.43 1.78 -0.02 0.00 1.43 -0.80 -0.77 118.68 118.87 3i3t s LEU 522 Ca 0.03 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3i3t s LEU 522 Cb -0.09 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3i3t s LEU 522 CO 0.02 0.00 -0.18 0.00 0.23 0.00 0.00 176.35 176.43 3i3t s ARG 524 N -0.33 4.74 0.10 0.00 3.52 0.14 -1.35 118.95 125.77 3i3t s ARG 524 Ca 0.05 1.45 0.01 0.00 -0.13 0.00 0.00 55.73 57.11 3i3t s ARG 524 Cb -0.08 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3i3t s ARG 524 CO -0.00 0.31 0.03 0.00 -0.81 0.00 0.00 175.30 174.83 3i3t h GLN 526 N 0.00 0.76 -0.96 0.00 4.20 -2.03 -2.76 115.11 114.32 3i3t h GLN 526 Ca -0.08 -0.05 -0.59 0.00 0.06 0.00 0.00 58.65 58.00 3i3t h GLN 526 Cb 0.27 -0.17 -0.29 0.00 0.30 0.00 0.00 27.48 27.59 3i3t h GLN 526 CO 0.12 0.50 0.69 0.25 -0.67 0.00 0.00 178.83 179.72 3i3t n THR 527 N -4.50 3.38 -0.32 -0.54 -2.24 -1.26 -5.04 114.28 103.76 3i3t n THR 527 Ca 0.13 -2.55 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 3i3t n THR 527 Cb 0.28 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.02 -1.78 3.80 3.38 0.00 -1.04 -5.03 105.19 103.50 3i3t n GLY 528 Ca 0.60 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 3.12 0.04 1.61 0.52 -1.26 -0.95 118.94 122.02 3i3t s TRP 529 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.10 3i3t s TRP 529 Cb 0.00 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3i3t s TRP 529 CO 0.00 0.52 -0.08 -1.01 0.02 0.00 0.00 176.95 176.40 3i3t s HIS 530 N -1.84 0.65 0.04 -1.98 3.76 -0.45 -3.27 115.29 112.19 3i3t s HIS 530 Ca 0.31 -0.45 -0.18 0.00 -0.15 0.00 0.00 55.06 54.59 3i3t s HIS 530 Cb -0.09 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.14 3i3t s HIS 530 CO 0.24 -0.07 0.51 0.08 -0.85 0.00 0.00 174.74 174.64 3i3t s VAL 531 N -1.23 4.85 -0.21 -0.90 1.01 0.10 -0.96 120.40 123.05 3i3t s VAL 531 Ca -0.09 1.08 0.01 0.00 0.00 0.00 0.00 61.98 62.99 3i3t s VAL 531 Cb -0.09 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.49 3i3t s VAL 531 CO 0.00 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 3i3t s TYR 532 N -1.06 2.96 -0.47 5.22 1.51 0.05 -1.75 117.35 123.81 3i3t s TYR 532 Ca 0.27 -1.76 0.03 0.00 -1.01 0.00 0.00 57.07 54.59 3i3t s TYR 532 Cb -0.18 -1.96 0.14 0.00 -0.11 0.00 0.00 41.96 39.85 3i3t s TYR 532 CO 0.17 -0.80 0.28 1.21 -1.11 0.00 0.00 175.55 175.30 3i3t s ASN 533 N 1.26 3.55 1.09 2.29 2.47 0.11 -2.16 114.94 123.56 3i3t s ASN 533 Ca 0.01 -2.83 0.00 0.00 0.42 0.00 0.00 52.86 50.46 3i3t s ASN 533 Cb -0.15 -1.05 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 3i3t s ASN 533 CO -0.09 -0.23 0.00 0.47 -3.72 0.00 0.00 177.10 173.53 3i3t n ASP 534 N 3.27 0.00 0.00 -4.21 8.00 -1.26 -1.75 116.55 120.60 3i3t n ASP 534 Ca 0.12 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.69 3i3t n ASP 534 Cb 0.36 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.85 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 6.34 0.00 -4.24 -2.24 3.41 0.02 -1.90 113.62 115.01 3i3t n SER 535 Ca 0.00 -1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 57.23 3i3t n SER 535 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.00 3.00 -0.00 4.33 3.52 -0.72 -4.44 118.95 122.65 3i3t s ARG 536 Ca 0.20 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 3i3t s ARG 536 Cb 0.09 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 3i3t s ARG 536 CO 0.15 0.21 -0.17 0.08 -0.81 0.00 0.00 175.30 174.76 3i3t s VAL 537 N 0.27 1.37 -0.12 7.11 1.01 -1.26 -0.71 120.40 128.07 3i3t s VAL 537 Ca -0.16 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3i3t s VAL 537 Cb -0.17 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.12 3i3t s VAL 537 CO 0.08 0.32 0.69 -0.94 0.00 0.00 0.00 175.10 175.26 3i3t s SER 538 N -0.57 -0.69 0.83 3.32 1.04 -0.72 -5.00 113.70 111.92 3i3t s SER 538 Ca 0.06 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 3i3t s SER 538 Cb -0.07 0.82 0.10 0.00 0.10 0.00 0.00 66.02 66.96 3i3t s SER 538 CO -0.00 -0.50 1.18 -2.84 0.98 0.00 0.00 173.24 172.06 3i3t s PRO 539 N -0.72 1.52 -0.28 4.02 0.02 -1.26 0.02 135.00 138.32 3i3t s PRO 539 Ca -0.08 1.68 -0.19 0.00 0.02 0.00 0.00 61.00 62.43 3i3t s PRO 539 Cb -0.02 -1.77 0.11 0.00 0.02 0.00 0.00 34.50 32.85 3i3t s PRO 539 CO 0.07 -2.29 0.87 0.54 -0.33 0.00 0.00 177.00 175.87 3i3t s VAL 540 N -2.31 0.00 0.82 3.83 0.11 -1.20 -4.69 120.40 116.96 3i3t s VAL 540 Ca 0.71 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.64 3i3t s VAL 540 Cb -0.26 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.67 3i3t s VAL 540 CO 0.52 0.00 1.11 -0.94 -3.33 0.00 0.00 175.10 172.46 3i3t s SER 541 N 1.06 4.32 0.00 3.54 1.04 -1.26 -4.20 113.70 118.19 3i3t s SER 541 Ca -0.05 1.21 0.06 0.00 0.48 0.00 0.00 55.95 57.64 3i3t s SER 541 Cb -0.04 -1.90 0.33 0.00 0.10 0.00 0.00 66.02 64.50 3i3t s SER 541 CO -0.12 -2.07 0.72 1.21 0.98 0.00 0.00 173.24 173.96 3i3t n GLU 542 N -3.48 0.26 -0.09 4.02 0.00 -1.26 -2.33 120.64 117.75 3i3t n GLU 542 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.10 3i3t n GLU 542 Cb 0.57 -1.33 -0.09 0.00 0.00 0.00 0.00 31.44 30.59 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 -0.83 2.50 0.20 4.31 2.85 -1.26 -3.47 115.26 119.56 3i3t n ASN 543 Ca 0.04 -0.10 0.05 0.00 -0.11 0.00 0.00 54.58 54.46 3i3t n ASN 543 Cb 0.02 -0.24 0.40 0.00 1.24 0.00 0.00 39.78 41.20 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 0.00 -0.01 1.20 4.20 -1.84 -2.09 115.11 116.57 3i3t h GLN 544 Ca -0.41 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3i3t h GLN 544 Cb 1.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 3i3t h GLN 544 CO -0.06 0.34 -0.03 -0.24 -0.67 0.00 0.00 178.83 178.17 3i3t h VAL 545 N 0.00 1.47 0.00 -0.54 3.04 -1.65 -3.00 116.25 115.57 3i3t h VAL 545 Ca -0.00 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 3i3t h VAL 545 Cb 0.67 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 3i3t h VAL 545 CO 0.04 0.38 -0.03 0.00 -1.01 0.00 0.00 177.57 176.95 3i3t h ALA 546 N 0.41 1.25 -0.56 3.17 0.00 -1.56 -0.62 119.26 121.36 3i3t h ALA 546 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i3t h ALA 546 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i3t h ALA 546 CO 0.01 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 3i3t n SER 547 N -3.49 3.57 -4.74 0.00 3.41 -0.80 -4.68 113.62 106.90 3i3t n SER 547 Ca -0.02 -1.98 -0.35 0.00 -0.26 0.00 0.00 58.87 56.26 3i3t n SER 547 Cb 0.14 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.09 4.55 0.00 4.04 0.01 -0.24 -4.98 113.70 115.99 3i3t s SER 548 Ca 0.40 2.34 -0.25 0.00 1.31 0.00 0.00 55.95 59.75 3i3t s SER 548 Cb 0.22 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.67 3i3t s SER 548 CO 0.29 -2.02 1.32 -0.08 0.41 0.00 0.00 173.24 173.15 3i3t h GLU 549 N 0.07 -0.13 -1.27 12.44 4.81 -1.93 -3.46 114.58 125.11 3i3t h GLU 549 Ca -0.48 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3i3t h GLU 549 Cb 1.29 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3i3t h GLU 549 CO 0.52 0.23 -0.30 0.41 -0.73 0.00 0.00 179.01 179.13 3i3t n GLY 550 N -0.13 -3.70 1.32 1.92 0.00 -1.26 -4.72 105.19 98.62 3i3t n GLY 550 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.58 -0.47 -3.94 1.61 9.36 0.79 -4.90 117.16 119.03 3i3t n TYR 551 Ca 0.00 0.08 -0.35 0.00 3.32 0.00 0.00 57.90 60.96 3i3t n TYR 551 Cb 0.00 0.17 -0.14 0.00 -0.63 0.00 0.00 39.34 38.73 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 3.08 -0.14 2.97 1.01 -0.95 -0.54 120.40 123.83 3i3t s VAL 552 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3i3t s VAL 552 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3i3t s VAL 552 CO 0.00 0.38 0.09 -0.76 0.00 0.00 0.00 175.10 174.81 3i3t s LEU 553 N 1.42 4.07 -0.34 3.92 1.43 0.48 -0.47 118.68 129.19 3i3t s LEU 553 Ca 0.04 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3i3t s LEU 553 Cb -0.15 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.12 3i3t s LEU 553 CO -0.05 0.31 0.10 -0.36 0.23 0.00 0.00 176.35 176.58 3i3t s PHE 554 N -0.41 3.27 -0.04 0.29 0.40 0.12 -1.28 117.98 120.33 3i3t s PHE 554 Ca 0.10 -1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 54.87 3i3t s PHE 554 Cb -0.12 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 3i3t s PHE 554 CO 0.02 -0.76 0.13 0.71 0.70 0.00 0.00 175.22 176.02 3i3t s TYR 555 N 1.37 3.46 -0.10 0.36 2.02 0.56 -1.58 117.35 123.42 3i3t s TYR 555 Ca -0.02 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.05 3i3t s TYR 555 Cb -0.20 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3i3t s TYR 555 CO 0.02 0.63 -0.20 1.14 -1.57 0.00 0.00 175.55 175.57 3i3t s GLN 556 N -1.60 3.08 -0.03 -0.62 -2.07 0.09 -0.56 119.66 117.95 3i3t s GLN 556 Ca 0.22 -0.80 -0.35 0.00 -1.82 0.00 0.00 55.36 52.61 3i3t s GLN 556 Cb -0.12 -2.41 -0.13 0.00 -1.09 0.00 0.00 33.01 29.26 3i3t s GLN 556 CO 0.13 0.24 1.74 1.28 -1.32 0.00 0.00 175.29 177.36 3i3t n LEU 557 N 3.38 3.08 -0.36 2.60 4.77 -0.77 -1.41 117.00 128.28 3i3t n LEU 557 Ca -0.18 1.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.97 3i3t n LEU 557 Cb 0.53 -1.34 0.63 0.00 -2.33 0.00 0.00 43.42 40.90 3i3t n LEU 557 CO 0.29 -0.24 0.93 0.23 -1.33 0.00 0.00 177.39 177.26