#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnu n PHE 253 N 0.00 -0.28 -3.68 -0.67 -1.74 -1.26 -5.15 117.46 104.68 2vnu n PHE 253 Ca 0.00 -2.18 -0.17 0.00 -0.56 0.00 0.00 57.45 54.54 2vnu n PHE 253 Cb 0.00 0.12 -0.16 0.00 1.52 0.00 0.00 39.48 40.96 2vnu n PHE 253 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2vnu s THR 254 N -2.94 -0.20 0.75 1.97 2.01 -1.26 -4.77 115.64 111.19 2vnu s THR 254 Ca 0.25 0.36 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 2vnu s THR 254 Cb 0.01 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2vnu s THR 254 CO 0.17 0.15 0.99 0.49 -0.69 0.00 0.00 174.62 175.74 2vnu n PHE 255 N 5.20 0.71 -2.27 4.92 3.01 -1.00 -4.95 117.46 123.09 2vnu n PHE 255 Ca -0.06 0.39 -0.41 0.00 1.01 0.00 0.00 57.45 58.37 2vnu n PHE 255 Cb 0.50 -2.08 -0.03 0.00 -0.01 0.00 0.00 39.48 37.86 2vnu n PHE 255 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2vnu s PRO 256 N -3.50 4.44 0.24 -1.08 0.02 -1.26 -4.90 135.00 128.96 2vnu s PRO 256 Ca 0.73 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 63.45 2vnu s PRO 256 Cb -0.33 -3.18 -0.14 0.00 0.02 0.00 0.00 34.50 30.87 2vnu s PRO 256 CO 0.51 -0.14 1.34 0.39 -0.33 0.00 0.00 177.00 178.77 2vnu n GLU 257 N 2.08 1.89 -1.81 5.54 -0.58 -1.26 -4.94 120.64 121.56 2vnu n GLU 257 Ca 0.04 0.67 -0.41 0.00 -0.42 0.00 0.00 57.16 57.04 2vnu n GLU 257 Cb 0.43 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 2vnu n GLU 257 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2vnu s TYR 258 N -0.25 2.57 0.50 -0.32 4.12 -1.26 -4.95 117.35 117.76 2vnu s TYR 258 Ca 0.67 1.20 -0.23 0.00 0.02 0.00 0.00 57.07 58.73 2vnu s TYR 258 Cb -0.67 -3.99 -0.08 0.00 -1.52 0.00 0.00 41.96 35.70 2vnu s TYR 258 CO 0.52 -2.95 1.16 0.66 0.02 0.00 0.00 175.55 174.96 2vnu n TYR 259 N 0.33 1.63 -1.38 2.71 4.02 -0.10 -4.94 117.16 119.42 2vnu n TYR 259 Ca 0.02 0.48 -0.35 0.00 -0.01 0.00 0.00 57.90 58.04 2vnu n TYR 259 Cb 0.40 -2.28 0.10 0.00 -0.02 0.00 0.00 39.34 37.54 2vnu n TYR 259 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2vnu n SER 260 N -0.25 1.38 -0.25 7.72 3.41 -1.26 -4.80 113.62 119.56 2vnu n SER 260 Ca 0.10 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.50 2vnu n SER 260 Cb 0.43 -1.52 0.36 0.00 -0.26 0.00 0.00 64.21 63.22 2vnu n SER 260 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2vnu h THR 261 N -0.26 0.90 -0.38 6.66 2.02 -1.99 -1.75 112.91 118.11 2vnu h THR 261 Ca -0.48 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 2vnu h THR 261 Cb 1.32 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2vnu h THR 261 CO 0.49 0.13 -0.18 0.00 0.37 0.00 0.00 175.52 176.33 2vnu h ALA 262 N 1.59 0.97 -0.67 6.16 0.00 -2.03 -2.98 119.26 122.30 2vnu h ALA 262 Ca 0.41 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2vnu h ALA 262 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2vnu h ALA 262 CO -0.18 0.60 0.15 -0.09 0.00 0.00 0.00 179.25 179.73 2vnu h ARG 263 N 0.63 1.09 -0.00 0.00 2.43 -1.69 -2.40 114.38 114.43 2vnu h ARG 263 Ca 0.10 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2vnu h ARG 263 Cb 0.66 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2vnu h ARG 263 CO 0.05 0.98 0.00 0.28 -1.51 0.00 0.00 179.97 179.77 2vnu n VAL 264 N -4.26 0.00 0.00 0.20 0.31 -0.79 -0.68 118.33 113.11 2vnu n VAL 264 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2vnu n VAL 264 Cb 0.27 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2vnu n VAL 264 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vnu n GLY 266 N 0.12 0.00 0.14 2.92 0.00 -0.91 -0.89 105.19 106.57 2vnu n GLY 266 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2vnu n GLY 266 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vnu h GLY 267 N 0.00 0.43 0.12 -0.02 0.00 -1.16 -2.26 103.07 100.18 2vnu h GLY 267 Ca 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 47.33 46.86 2vnu h GLY 267 CO 0.00 0.52 0.03 1.41 0.00 0.00 0.00 176.54 178.50 2vnu h LEU 268 N -0.07 -0.18 -0.85 3.11 3.38 -1.21 -0.92 115.31 118.57 2vnu h LEU 268 Ca -0.02 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2vnu h LEU 268 Cb 0.98 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2vnu h LEU 268 CO 0.07 -0.06 -0.41 0.11 0.09 0.00 0.00 178.44 178.24 2vnu h LYS 269 N 0.15 0.34 -0.00 1.13 1.57 -1.81 -3.00 116.57 114.94 2vnu h LYS 269 Ca 0.28 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2vnu h LYS 269 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2vnu h LYS 269 CO -0.44 0.70 -0.07 0.09 -0.57 0.00 0.00 179.45 179.16 2vnu n ASN 270 N -4.02 0.50 -0.46 0.86 4.13 -0.85 -4.92 115.26 110.50 2vnu n ASN 270 Ca -0.02 -0.78 -0.05 0.00 1.68 0.00 0.00 54.58 55.41 2vnu n ASN 270 Cb 0.49 -0.06 -0.02 0.00 -1.54 0.00 0.00 39.78 38.66 2vnu n ASN 270 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vnu n GLY 271 N 1.21 0.63 0.10 7.41 0.00 -0.50 -4.92 105.19 109.12 2vnu n GLY 271 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2vnu n GLY 271 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2vnu n VAL 272 N -3.14 1.48 -4.23 1.61 0.31 -0.47 -4.94 118.33 108.94 2vnu n VAL 272 Ca -0.06 -0.79 -0.26 0.00 -0.01 0.00 0.00 64.34 63.22 2vnu n VAL 272 Cb 0.27 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 2vnu n VAL 272 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2vnu s LEU 273 N -5.86 3.24 0.08 7.52 1.43 -1.05 -4.47 118.68 119.56 2vnu s LEU 273 Ca -0.13 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2vnu s LEU 273 Cb 0.07 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2vnu s LEU 273 CO 0.79 0.08 -0.08 -0.31 0.23 0.00 0.00 176.35 177.06 2vnu s TYR 274 N -1.78 0.86 -0.04 0.29 1.51 -0.11 -4.33 117.35 113.75 2vnu s TYR 274 Ca 0.27 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2vnu s TYR 274 Cb -0.09 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.26 2vnu s TYR 274 CO 0.18 -0.08 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.22 2vnu s GLN 275 N -2.66 1.82 0.11 -0.62 0.74 -1.26 0.46 119.66 118.26 2vnu s GLN 275 Ca 0.02 -0.66 -0.26 0.00 0.05 0.00 0.00 55.36 54.51 2vnu s GLN 275 Cb -0.03 -1.61 0.08 0.00 1.10 0.00 0.00 33.01 32.55 2vnu s GLN 275 CO -0.01 0.29 1.00 0.20 -0.55 0.00 0.00 175.29 176.22 2vnu s GLY 276 N -0.08 -0.28 -0.09 2.59 0.00 -0.37 -4.98 107.32 104.10 2vnu s GLY 276 Ca -0.02 0.33 -0.20 0.00 0.00 0.00 0.00 44.72 44.84 2vnu s GLY 276 CO 0.02 0.06 0.54 -1.31 0.00 0.00 0.00 173.10 172.41 2vnu s ASN 277 N -2.88 6.78 0.07 1.64 0.01 -1.26 -0.09 114.94 119.21 2vnu s ASN 277 Ca 0.12 0.93 -0.29 0.00 -0.71 0.00 0.00 52.86 52.91 2vnu s ASN 277 Cb -0.00 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 2vnu s ASN 277 CO 0.00 -0.01 0.92 -0.51 -1.51 0.00 0.00 177.10 175.99 2vnu s ILE 278 N 0.57 4.64 -0.31 0.60 2.07 -0.72 -4.45 121.20 123.60 2vnu s ILE 278 Ca 0.29 1.98 -0.01 0.00 -1.41 0.00 0.00 60.65 61.50 2vnu s ILE 278 Cb -0.16 -4.28 0.06 0.00 0.13 0.00 0.00 42.46 38.22 2vnu s ILE 278 CO 0.13 0.29 0.02 -1.10 -1.91 0.00 0.00 174.94 172.36 2vnu s GLN 279 N 0.25 2.25 0.38 3.50 -0.21 0.05 -1.45 119.66 124.44 2vnu s GLN 279 Ca 0.46 -1.41 -0.23 0.00 0.02 0.00 0.00 55.36 54.20 2vnu s GLN 279 Cb -0.22 -3.20 -0.10 0.00 1.00 0.00 0.00 33.01 30.49 2vnu s GLN 279 CO 0.28 -0.71 0.93 0.96 -2.12 0.00 0.00 175.29 174.64 2vnu s ILE 280 N 1.18 4.34 0.68 1.08 -5.25 -1.26 -0.88 121.20 121.09 2vnu s ILE 280 Ca -0.02 1.58 -0.16 0.00 -0.99 0.00 0.00 60.65 61.06 2vnu s ILE 280 Cb -0.20 -3.75 0.01 0.00 2.95 0.00 0.00 42.46 41.47 2vnu s ILE 280 CO -0.03 -0.14 1.19 -0.94 -1.79 0.00 0.00 174.94 173.23 2vnu s SER 281 N -1.97 4.65 0.18 4.36 1.04 -0.67 -4.91 113.70 116.38 2vnu s SER 281 Ca 0.57 2.31 0.23 0.00 0.48 0.00 0.00 55.95 59.54 2vnu s SER 281 Cb -0.13 -2.59 0.90 0.00 0.10 0.00 0.00 66.02 64.31 2vnu s SER 281 CO 0.17 -1.95 1.71 -1.84 0.98 0.00 0.00 173.24 172.31 2vnu n GLU 282 N -2.32 0.17 -0.00 4.02 0.28 -1.26 -3.67 120.64 117.86 2vnu n GLU 282 Ca 0.13 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 2vnu n GLU 282 Cb 0.50 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 2vnu n GLU 282 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2vnu n TYR 283 N -2.07 0.00 -3.88 -1.84 4.02 -1.26 -4.96 117.16 107.17 2vnu n TYR 283 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.64 2vnu n TYR 283 Cb 0.28 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.44 2vnu n TYR 283 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2vnu s ASN 284 N -1.75 3.14 0.25 7.72 3.04 -1.24 0.10 114.94 126.19 2vnu s ASN 284 Ca -0.00 -0.84 0.26 0.00 0.04 0.00 0.00 52.86 52.31 2vnu s ASN 284 Cb 0.00 -0.93 0.77 0.00 -1.54 0.00 0.00 41.25 39.55 2vnu s ASN 284 CO 0.00 -0.22 1.76 2.19 -3.04 0.00 0.00 177.10 177.79 2vnu h PHE 285 N 8.09 0.00 -0.76 0.43 -5.15 -1.34 -2.92 116.94 115.29 2vnu h PHE 285 Ca -0.21 0.00 -0.33 0.00 -0.20 0.00 0.00 57.97 57.23 2vnu h PHE 285 Cb 1.10 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 37.07 2vnu h PHE 285 CO 0.43 0.00 0.42 1.28 -2.00 0.00 0.00 178.31 178.44 2vnu n LEU 286 N -2.37 5.90 -3.77 2.10 4.77 -1.26 -4.88 117.00 117.48 2vnu n LEU 286 Ca 0.05 -3.11 -0.13 0.00 -0.03 0.00 0.00 56.01 52.79 2vnu n LEU 286 Cb 0.43 -0.76 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 2vnu n LEU 286 CO 0.30 0.87 -0.08 -0.70 -1.33 0.00 0.00 177.39 176.45 2vnu s GLU 287 N -2.72 0.29 0.25 3.23 2.12 -1.10 -0.82 118.70 119.95 2vnu s GLU 287 Ca 0.48 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 56.17 2vnu s GLU 287 Cb 0.39 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 2vnu s GLU 287 CO 0.10 -0.06 0.31 0.20 -0.54 0.00 0.00 175.26 175.27 2vnu s GLY 288 N 0.34 1.26 -0.04 -1.50 0.00 0.27 -1.67 107.32 105.97 2vnu s GLY 288 Ca -0.02 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 2vnu s GLY 288 CO -0.01 -1.10 0.15 -0.45 0.00 0.00 0.00 173.10 171.69 2vnu s SER 289 N -3.15 -0.09 -0.08 1.64 0.15 -0.06 0.13 113.70 112.25 2vnu s SER 289 Ca 0.33 0.11 0.02 0.00 0.70 0.00 0.00 55.95 57.11 2vnu s SER 289 Cb 0.03 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 2vnu s SER 289 CO 0.14 -0.18 -0.12 -0.69 1.20 0.00 0.00 173.24 173.59 2vnu s VAL 290 N -0.51 1.16 -0.30 4.45 1.01 0.04 -0.77 120.40 125.48 2vnu s VAL 290 Ca -0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2vnu s VAL 290 Cb -0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2vnu s VAL 290 CO 0.01 0.37 0.25 -0.44 0.00 0.00 0.00 175.10 175.28 2vnu s SER 291 N 0.84 6.09 -0.18 3.32 0.01 -1.26 0.57 113.70 123.09 2vnu s SER 291 Ca -0.11 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 2vnu s SER 291 Cb -0.15 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 63.99 2vnu s SER 291 CO 0.02 -0.14 0.03 -0.76 0.41 0.00 0.00 173.24 172.80 2vnu s LEU 292 N 1.84 1.11 0.04 2.44 1.43 -1.26 -4.82 118.68 119.45 2vnu s LEU 292 Ca 0.09 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2vnu s LEU 292 Cb -0.16 -0.58 0.13 0.00 0.03 0.00 0.00 46.19 45.61 2vnu s LEU 292 CO 0.11 -0.29 0.17 -2.65 0.23 0.00 0.00 176.35 173.92 2vnu n PRO 293 N 5.06 -0.01 -0.61 1.29 -0.02 -1.26 -4.13 135.00 135.33 2vnu n PRO 293 Ca -0.09 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 2vnu n PRO 293 Cb 0.47 -0.27 0.20 0.00 -0.02 0.00 0.00 33.50 33.89 2vnu n PRO 293 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2vnu n ARG 294 N -3.43 -1.75 -1.79 -0.52 -4.01 -1.26 -4.76 116.66 99.15 2vnu n ARG 294 Ca 0.04 -0.48 0.00 0.00 -1.04 0.00 0.00 57.85 56.36 2vnu n ARG 294 Cb 0.12 -1.93 0.00 0.00 -3.04 0.00 0.00 32.46 27.61 2vnu n ARG 294 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2vnu n PHE 295 N -4.55 -3.64 0.28 2.89 3.01 -1.26 -4.72 117.46 109.46 2vnu n PHE 295 Ca 0.03 1.90 0.17 0.00 1.01 0.00 0.00 57.45 60.56 2vnu n PHE 295 Cb 0.58 -2.89 0.75 0.00 -0.01 0.00 0.00 39.48 37.90 2vnu n PHE 295 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2vnu h SER 296 N 2.68 0.00 -3.94 4.37 0.87 -1.90 -3.44 113.55 112.18 2vnu h SER 296 Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 2vnu h SER 296 Cb 0.00 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 61.74 2vnu h SER 296 CO 0.00 0.03 -0.87 -0.75 -0.53 0.00 0.00 176.83 174.71 2vnu s LYS 297 N -3.76 1.39 0.69 2.24 2.36 -1.26 -4.87 119.74 116.54 2vnu s LYS 297 Ca 0.00 -1.33 -0.17 0.00 -2.55 0.00 0.00 55.97 51.92 2vnu s LYS 297 Cb 0.10 -1.87 -0.00 0.00 -1.05 0.00 0.00 37.83 35.01 2vnu s LYS 297 CO 0.53 0.44 1.06 -2.30 1.55 0.00 0.00 175.35 176.63 2vnu n PRO 298 N 0.95 0.68 -3.56 4.03 -0.02 -1.26 -4.79 135.00 131.02 2vnu n PRO 298 Ca -0.18 0.29 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 2vnu n PRO 298 Cb 0.53 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 2vnu n PRO 298 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vnu s VAL 299 N -1.69 5.30 0.16 -1.45 -7.23 0.19 -4.85 120.40 110.84 2vnu s VAL 299 Ca 0.76 0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 61.05 2vnu s VAL 299 Cb -0.36 -3.60 -0.07 0.00 0.56 0.00 0.00 36.38 32.91 2vnu s VAL 299 CO 0.47 0.34 1.15 -0.76 -0.31 0.00 0.00 175.10 175.99 2vnu s LEU 300 N 0.93 4.46 -0.25 1.32 1.43 -0.91 -0.78 118.68 124.88 2vnu s LEU 300 Ca 0.13 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 2vnu s LEU 300 Cb -0.13 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.54 2vnu s LEU 300 CO 0.05 -0.31 -0.11 -0.63 0.23 0.00 0.00 176.35 175.58 2vnu s ILE 301 N -0.00 2.01 -0.14 -0.59 1.01 0.12 -0.55 121.20 123.05 2vnu s ILE 301 Ca 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2vnu s ILE 301 Cb -0.30 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 2vnu s ILE 301 CO 0.35 0.01 -0.14 -0.69 0.00 0.00 0.00 174.94 174.46 2vnu s VAL 302 N 1.19 2.83 0.00 2.92 1.01 -1.26 0.95 120.40 128.03 2vnu s VAL 302 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2vnu s VAL 302 Cb -0.19 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2vnu s VAL 302 CO -0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2vnu n GLY 303 N 3.83 0.73 0.42 4.51 0.00 0.00 -4.39 105.19 110.30 2vnu n GLY 303 Ca -0.19 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 2vnu n GLY 303 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vnu h GLN 304 N 0.00 -0.61 -0.72 1.61 4.20 -1.97 -2.27 115.11 115.34 2vnu h GLN 304 Ca 0.00 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.91 2vnu h GLN 304 Cb 0.00 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 2vnu h GLN 304 CO 0.00 -0.41 0.06 0.87 -0.67 0.00 0.00 178.83 178.68 2vnu h LYS 305 N -0.64 0.15 -0.01 1.46 1.57 -1.98 -0.53 116.57 116.59 2vnu h LYS 305 Ca -0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2vnu h LYS 305 Cb 0.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2vnu h LYS 305 CO -0.28 0.10 -0.85 -0.91 -0.57 0.00 0.00 179.45 176.95 2vnu h ASN 306 N 0.15 0.27 1.18 0.86 2.35 -1.74 -2.31 115.58 116.35 2vnu h ASN 306 Ca 0.40 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2vnu h ASN 306 Cb 0.69 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 2vnu h ASN 306 CO -0.59 1.00 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.07 2vnu h LEU 307 N 0.12 0.00 -3.76 1.61 3.38 -0.99 0.53 115.31 116.21 2vnu h LEU 307 Ca -0.04 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 2vnu h LEU 307 Cb 1.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 2vnu h LEU 307 CO 0.13 0.04 -0.94 -3.20 0.09 0.00 0.00 178.44 174.56 2vnu n ASN 308 N -3.14 -3.34 -1.27 -0.43 5.15 -0.24 -0.95 115.26 111.03 2vnu n ASN 308 Ca 0.01 -1.22 -0.17 0.00 -0.60 0.00 0.00 54.58 52.60 2vnu n ASN 308 Cb 0.37 -1.47 -0.07 0.00 -0.53 0.00 0.00 39.78 38.08 2vnu n ASN 308 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2vnu n ARG 309 N -4.77 -1.28 -2.50 1.20 1.74 -1.26 -4.97 116.66 104.82 2vnu n ARG 309 Ca -0.12 1.08 -0.40 0.00 -0.77 0.00 0.00 57.85 57.64 2vnu n ARG 309 Cb 0.53 -5.34 -0.04 0.00 -1.02 0.00 0.00 32.46 26.59 2vnu n ARG 309 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vnu s ALA 310 N -2.55 3.34 -0.04 7.54 0.00 -0.13 -5.06 121.76 124.87 2vnu s ALA 310 Ca 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 2vnu s ALA 310 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2vnu s ALA 310 CO 0.00 -0.15 0.11 -0.06 0.00 0.00 0.00 175.76 175.66 2vnu s PHE 311 N -1.26 3.41 0.12 0.00 2.99 -1.26 -5.01 117.98 116.97 2vnu s PHE 311 Ca 0.47 0.31 -0.35 0.00 0.00 0.00 0.00 56.93 57.36 2vnu s PHE 311 Cb -0.30 -1.81 -0.17 0.00 0.00 0.00 0.00 43.02 40.74 2vnu s PHE 311 CO 0.38 0.61 1.17 -1.71 -0.00 0.00 0.00 175.22 175.67 2vnu n ASN 312 N 1.39 1.11 0.00 1.36 5.15 -1.26 -1.34 115.26 121.67 2vnu n ASN 312 Ca -0.15 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 2vnu n ASN 312 Cb 0.53 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 2vnu n ASN 312 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vnu n GLY 313 N 2.11 1.32 3.77 8.20 0.00 -0.53 -4.86 105.19 115.20 2vnu n GLY 313 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2vnu n GLY 313 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vnu s ASP 314 N -3.06 6.42 -0.38 1.61 1.11 -0.45 -4.71 116.67 117.22 2vnu s ASP 314 Ca 0.00 2.74 -0.28 0.00 0.18 0.00 0.00 52.55 55.20 2vnu s ASP 314 Cb 0.00 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.36 2vnu s ASP 314 CO 0.00 -0.79 1.03 -1.58 1.18 0.00 0.00 175.17 175.01 2vnu s GLN 315 N -2.10 3.89 0.34 8.23 0.74 -0.07 -1.75 119.66 128.92 2vnu s GLN 315 Ca 0.54 0.74 0.10 0.00 0.05 0.00 0.00 55.36 56.79 2vnu s GLN 315 Cb -0.40 -3.80 -0.06 0.00 1.10 0.00 0.00 33.01 29.84 2vnu s GLN 315 CO 0.53 -1.03 -0.11 0.14 -0.55 0.00 0.00 175.29 174.27 2vnu s VAL 316 N 3.76 2.28 -0.16 1.34 -7.23 0.88 0.22 120.40 121.49 2vnu s VAL 316 Ca 0.43 -2.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2vnu s VAL 316 Cb -0.11 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2vnu s VAL 316 CO 0.20 -0.23 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.04 2vnu s ILE 317 N -2.60 3.23 0.16 -0.62 -1.09 -1.01 -1.24 121.20 118.04 2vnu s ILE 317 Ca 0.32 -0.58 0.10 0.00 -2.23 0.00 0.00 60.65 58.26 2vnu s ILE 317 Cb 0.01 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2vnu s ILE 317 CO 0.16 0.49 -0.18 0.68 -1.23 0.00 0.00 174.94 174.86 2vnu s VAL 318 N 0.68 2.74 -0.09 2.92 -7.23 0.17 -0.78 120.40 118.82 2vnu s VAL 318 Ca -0.05 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2vnu s VAL 318 Cb -0.15 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 2vnu s VAL 318 CO 0.02 -0.03 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.85 2vnu s GLU 319 N -2.49 2.84 0.33 4.82 2.12 -0.07 -0.93 118.70 125.33 2vnu s GLU 319 Ca 0.20 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.39 2vnu s GLU 319 Cb -0.09 -2.21 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 2vnu s GLU 319 CO 0.11 0.23 1.26 -0.51 -0.54 0.00 0.00 175.26 175.81 2vnu s LEU 320 N 0.22 4.42 0.34 2.70 1.43 -1.26 -0.38 118.68 126.15 2vnu s LEU 320 Ca -0.15 2.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2vnu s LEU 320 Cb -0.17 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2vnu s LEU 320 CO 0.07 -0.50 0.55 -0.76 0.23 0.00 0.00 176.35 175.95 2vnu s LEU 321 N -1.81 4.01 0.66 1.79 1.43 0.08 -4.88 118.68 119.96 2vnu s LEU 321 Ca 0.49 0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.90 2vnu s LEU 321 Cb -0.38 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2vnu s LEU 321 CO 0.50 -0.29 1.23 -2.16 0.23 0.00 0.00 176.35 175.86 2vnu s PRO 322 N -4.25 2.53 0.66 1.29 0.04 -1.26 -4.79 135.00 129.22 2vnu s PRO 322 Ca 0.40 1.85 0.38 0.00 0.04 0.00 0.00 61.00 63.67 2vnu s PRO 322 Cb -0.10 -1.87 2.07 0.00 0.04 0.00 0.00 34.50 34.64 2vnu s PRO 322 CO 0.36 -1.56 2.18 0.37 0.04 0.00 0.00 177.00 178.39 2vnu h GLN 323 N 0.30 0.00 0.00 4.56 -0.00 -1.96 0.29 115.11 118.29 2vnu h GLN 323 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 2vnu h GLN 323 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.78 2vnu h GLN 323 CO 0.52 0.00 -0.08 0.66 0.00 0.00 0.00 178.83 179.93 2vnu h SER 324 N 0.00 0.00 -0.15 -0.69 4.64 -2.02 -2.97 113.55 112.36 2vnu h SER 324 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2vnu h SER 324 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2vnu h SER 324 CO -0.00 0.08 0.00 1.21 -0.87 0.00 0.00 176.83 177.25 2vnu n GLU 325 N -3.23 1.85 -1.98 4.77 2.13 0.10 -4.98 120.64 119.30 2vnu n GLU 325 Ca 0.00 -1.79 -0.41 0.00 0.66 0.00 0.00 57.16 55.62 2vnu n GLU 325 Cb 0.34 -1.38 -0.02 0.00 0.27 0.00 0.00 31.44 30.66 2vnu n GLU 325 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2vnu s TRP 326 N -1.41 2.93 0.06 4.31 0.52 -1.12 -4.92 118.94 119.30 2vnu s TRP 326 Ca 0.26 1.13 0.01 0.00 0.02 0.00 0.00 56.10 57.52 2vnu s TRP 326 Cb 0.16 -3.84 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 2vnu s TRP 326 CO 0.24 -2.59 -0.06 0.15 0.02 0.00 0.00 176.95 174.71 2vnu s LYS 327 N -1.07 0.61 0.31 4.98 1.02 -1.13 -4.74 119.74 119.72 2vnu s LYS 327 Ca 0.56 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.55 2vnu s LYS 327 Cb -0.43 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 2vnu s LYS 327 CO 0.50 -0.01 0.50 0.00 -0.92 0.00 0.00 175.35 175.41 2vnu s ALA 328 N -2.56 3.76 0.51 5.17 0.00 -1.26 -1.46 121.76 125.91 2vnu s ALA 328 Ca -0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2vnu s ALA 328 Cb -0.02 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 2vnu s ALA 328 CO -0.03 0.08 1.21 -2.14 0.00 0.00 0.00 175.76 174.87 2vnu s PRO 329 N -4.14 3.48 0.56 0.00 0.02 -1.26 -4.95 135.00 128.71 2vnu s PRO 329 Ca 0.39 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 63.06 2vnu s PRO 329 Cb -0.10 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 2vnu s PRO 329 CO 0.34 -0.81 1.27 0.45 -0.33 0.00 0.00 177.00 177.92 2vnu n SER 330 N -0.84 2.22 -1.97 2.53 2.88 -1.26 -4.92 113.62 112.25 2vnu n SER 330 Ca 0.09 0.94 -0.09 0.00 -1.33 0.00 0.00 58.87 58.48 2vnu n SER 330 Cb 0.48 -1.53 0.26 0.00 -0.75 0.00 0.00 64.21 62.67 2vnu n SER 330 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2vnu n SER 331 N -0.96 4.44 -3.98 -3.46 2.88 -1.26 -4.96 113.62 106.32 2vnu n SER 331 Ca 0.11 -3.20 -0.14 0.00 -1.33 0.00 0.00 58.87 54.32 2vnu n SER 331 Cb 0.45 -0.75 -0.13 0.00 -0.75 0.00 0.00 64.21 63.03 2vnu n SER 331 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2vnu s ILE 332 N -2.84 0.37 0.04 2.46 1.01 -1.26 0.29 121.20 121.27 2vnu s ILE 332 Ca 0.51 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 2vnu s ILE 332 Cb 0.41 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 42.45 2vnu s ILE 332 CO 0.12 -0.09 0.56 -0.69 0.00 0.00 0.00 174.94 174.84 2vnu s VAL 333 N -0.57 4.82 -0.26 2.92 1.01 -1.26 -4.51 120.40 122.55 2vnu s VAL 333 Ca -0.03 1.19 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 2vnu s VAL 333 Cb -0.05 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.57 2vnu s VAL 333 CO -0.00 0.51 0.53 -0.22 0.00 0.00 0.00 175.10 175.92 2vnu s LEU 334 N -0.80 -0.94 0.46 3.92 2.96 0.11 -4.97 118.68 119.44 2vnu s LEU 334 Ca 0.29 1.12 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 2vnu s LEU 334 Cb -0.19 1.80 -0.03 0.00 0.50 0.00 0.00 46.19 48.27 2vnu s LEU 334 CO 0.18 -0.24 0.13 1.51 -1.32 0.00 0.00 176.35 176.61 2vnu s ASP 335 N 2.75 4.27 0.49 3.68 1.47 -1.26 -1.12 116.67 126.95 2vnu s ASP 335 Ca 0.01 -1.34 0.14 0.00 1.18 0.00 0.00 52.55 52.54 2vnu s ASP 335 Cb -0.13 -0.01 1.18 0.00 -0.34 0.00 0.00 42.92 43.62 2vnu s ASP 335 CO -0.17 -0.72 2.13 0.77 0.68 0.00 0.00 175.17 177.87 2vnu h SER 336 N 1.35 0.11 0.38 2.11 4.64 -1.82 -2.31 113.55 118.02 2vnu h SER 336 Ca -0.42 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 2vnu h SER 336 Cb 1.28 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2vnu h SER 336 CO 0.71 0.08 -0.24 -0.08 -0.87 0.00 0.00 176.83 176.43 2vnu h GLU 337 N 0.13 0.00 -0.01 4.77 4.81 -1.96 -3.26 114.58 119.06 2vnu h GLU 337 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2vnu h GLU 337 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2vnu h GLU 337 CO -0.01 0.24 -0.12 0.72 -0.73 0.00 0.00 179.01 179.12 2vnu n HIS 338 N -3.93 0.00 -3.12 0.92 8.25 -0.90 -4.97 115.22 111.47 2vnu n HIS 338 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 2vnu n HIS 338 Cb 0.32 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 2vnu n HIS 338 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2vnu s PHE 339 N -0.99 3.49 -1.06 4.41 5.36 -0.99 -4.95 117.98 123.26 2vnu s PHE 339 Ca 0.06 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2vnu s PHE 339 Cb 0.06 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.98 2vnu s PHE 339 CO 0.16 0.01 0.00 -0.25 -1.46 0.00 0.00 175.22 173.67 2vnu n ASP 340 N 4.22 -3.17 -4.43 6.13 8.00 -1.26 -4.97 116.55 121.07 2vnu n ASP 340 Ca -0.02 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.43 2vnu n ASP 340 Cb 0.51 -2.89 -0.13 0.00 -0.02 0.00 0.00 41.12 38.59 2vnu n ASP 340 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2vnu s ILE 386 N -2.19 2.55 0.05 0.53 -4.36 -1.26 -5.13 121.20 111.40 2vnu s ILE 386 Ca 0.00 -1.47 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 2vnu s ILE 386 Cb 0.00 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2vnu s ILE 386 CO 0.00 0.21 0.08 -1.10 0.24 0.00 0.00 174.94 174.37 2vnu s GLN 387 N -1.78 0.66 0.31 0.37 -0.21 -0.53 -4.81 119.66 113.66 2vnu s GLN 387 Ca 0.15 -0.93 -0.28 0.00 0.02 0.00 0.00 55.36 54.31 2vnu s GLN 387 Cb -0.10 0.25 -0.13 0.00 1.00 0.00 0.00 33.01 34.03 2vnu s GLN 387 CO 0.06 -0.17 1.10 -2.30 -2.12 0.00 0.00 175.29 171.87 2vnu n PRO 388 N 0.38 1.61 -4.06 2.91 -0.02 -1.26 -2.85 135.00 131.71 2vnu n PRO 388 Ca -0.17 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 61.72 2vnu n PRO 388 Cb 0.60 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 2vnu n PRO 388 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2vnu s THR 389 N -1.06 0.30 0.27 3.45 -1.32 -1.26 -2.15 115.64 113.87 2vnu s THR 389 Ca 0.58 -0.09 0.06 0.00 -1.21 0.00 0.00 61.69 61.03 2vnu s THR 389 Cb -0.66 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 2vnu s THR 389 CO 0.61 0.12 -0.06 0.00 -2.21 0.00 0.00 174.62 173.07 2vnu s ALA 390 N 0.32 2.27 0.05 11.08 0.00 0.28 -0.74 121.76 135.03 2vnu s ALA 390 Ca -0.03 -1.87 0.08 0.00 0.00 0.00 0.00 51.96 50.14 2vnu s ALA 390 Cb -0.06 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2vnu s ALA 390 CO -0.01 -0.07 -0.23 -1.59 0.00 0.00 0.00 175.76 173.86 2vnu s LYS 391 N -3.73 1.57 -0.09 0.00 -2.85 0.49 -4.33 119.74 110.80 2vnu s LYS 391 Ca 0.29 -1.03 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 2vnu s LYS 391 Cb 0.03 -1.72 -0.02 0.00 -2.06 0.00 0.00 37.83 34.06 2vnu s LYS 391 CO 0.11 0.44 1.02 0.08 0.10 0.00 0.00 175.35 177.11 2vnu s VAL 392 N -0.81 4.74 -0.76 1.79 1.01 0.19 -0.89 120.40 125.66 2vnu s VAL 392 Ca 0.10 2.00 0.09 0.00 0.00 0.00 0.00 61.98 64.17 2vnu s VAL 392 Cb -0.09 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2vnu s VAL 392 CO 0.02 0.02 0.56 1.33 0.00 0.00 0.00 175.10 177.03 2vnu n VAL 393 N 4.51 0.00 -3.59 2.92 0.24 0.04 -4.68 118.33 117.76 2vnu n VAL 393 Ca 0.09 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 61.93 2vnu n VAL 393 Cb 0.49 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.91 2vnu n VAL 393 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2vnu s TYR 394 N -1.32 -0.22 -0.29 6.34 5.04 -1.24 -0.92 117.35 124.74 2vnu s TYR 394 Ca 0.07 0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.98 2vnu s TYR 394 Cb 0.07 0.49 0.05 0.00 0.35 0.00 0.00 41.96 42.92 2vnu s TYR 394 CO 0.24 -0.25 -0.02 0.42 -1.34 0.00 0.00 175.55 174.60 2vnu s ILE 395 N -1.67 2.89 -0.09 3.14 -1.09 -1.26 -2.42 121.20 120.71 2vnu s ILE 395 Ca 0.05 -1.40 -0.22 0.00 -2.23 0.00 0.00 60.65 56.85 2vnu s ILE 395 Cb -0.01 -2.66 -0.18 0.00 -1.58 0.00 0.00 42.46 38.03 2vnu s ILE 395 CO -0.04 -0.08 0.75 -0.61 -1.23 0.00 0.00 174.94 173.73 2vnu h GLN 396 N 7.97 -0.06 -3.88 2.79 4.15 -0.55 -3.46 115.11 122.07 2vnu h GLN 396 Ca -0.21 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 58.81 2vnu h GLN 396 Cb 1.06 0.01 -0.35 0.00 0.21 0.00 0.00 27.48 28.42 2vnu h GLN 396 CO 0.53 0.55 -0.77 1.03 -1.93 0.00 0.00 178.83 178.24 2vnu s ARG 397 N -2.75 0.67 0.11 1.69 0.52 -1.03 -4.99 118.95 113.17 2vnu s ARG 397 Ca -0.14 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.07 2vnu s ARG 397 Cb -0.01 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 2vnu s ARG 397 CO 0.52 -0.14 0.22 0.50 0.02 0.00 0.00 175.30 176.41 2vnu s ARG 398 N 1.18 3.31 -0.28 3.54 3.52 -1.26 -0.90 118.95 128.07 2vnu s ARG 398 Ca -0.07 -0.59 0.11 0.00 -0.13 0.00 0.00 55.73 55.05 2vnu s ARG 398 Cb -0.14 -2.93 0.58 0.00 -1.56 0.00 0.00 34.95 30.91 2vnu s ARG 398 CO -0.02 0.55 1.57 -1.13 -0.81 0.00 0.00 175.30 175.47 2vnu n SER 399 N -0.11 3.57 -4.60 -2.12 3.41 -1.26 -4.92 113.62 107.58 2vnu n SER 399 Ca -0.07 -3.40 -0.43 0.00 -0.26 0.00 0.00 58.87 54.71 2vnu n SER 399 Cb 0.53 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2vnu n SER 399 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2vnu s TRP 400 N -3.07 2.14 0.00 7.33 0.51 -1.26 -4.97 118.94 119.62 2vnu s TRP 400 Ca 0.47 0.65 0.00 0.00 -2.12 0.00 0.00 56.10 55.10 2vnu s TRP 400 Cb 0.40 -4.23 0.00 0.00 -0.81 0.00 0.00 33.47 28.83 2vnu s TRP 400 CO 0.07 -2.42 0.00 2.89 -0.51 0.00 0.00 176.95 176.97 2vnu n ARG 401 N 8.22 2.92 -2.86 4.98 1.85 -1.26 -5.05 116.66 125.47 2vnu n ARG 401 Ca 0.19 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.64 2vnu n ARG 401 Cb 0.47 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 2vnu n ARG 401 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2vnu s GLN 402 N 0.17 4.58 -0.05 2.89 -0.21 -1.26 -4.50 119.66 121.27 2vnu s GLN 402 Ca 0.00 1.24 0.04 0.00 0.02 0.00 0.00 55.36 56.66 2vnu s GLN 402 Cb 0.00 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 2vnu s GLN 402 CO 0.00 0.20 -0.15 0.71 -2.12 0.00 0.00 175.29 173.93 2vnu s TYR 403 N 0.16 2.69 -0.02 0.91 1.51 -0.25 -4.84 117.35 117.51 2vnu s TYR 403 Ca 0.43 -0.17 -0.18 0.00 -1.01 0.00 0.00 57.07 56.14 2vnu s TYR 403 Cb -0.21 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2vnu s TYR 403 CO 0.26 0.18 0.50 0.08 -1.11 0.00 0.00 175.55 175.46 2vnu s VAL 404 N -0.71 5.00 0.10 0.71 1.01 -1.26 -0.74 120.40 124.50 2vnu s VAL 404 Ca 0.11 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 2vnu s VAL 404 Cb -0.11 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2vnu s VAL 404 CO 0.01 0.46 0.17 0.61 0.00 0.00 0.00 175.10 176.34 2vnu n GLY 405 N 2.40 2.16 2.89 4.51 0.00 -0.02 -4.49 105.19 112.63 2vnu n GLY 405 Ca -0.09 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 2vnu n GLY 405 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vnu s GLN 406 N -2.09 0.15 0.26 1.61 0.74 0.17 -1.37 119.66 119.14 2vnu s GLN 406 Ca 0.05 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.13 2vnu s GLN 406 Cb -0.01 -0.17 -0.14 0.00 1.10 0.00 0.00 33.01 33.79 2vnu s GLN 406 CO 0.04 0.01 1.17 1.28 -0.55 0.00 0.00 175.29 177.24 2vnu n LEU 407 N 3.20 2.31 -4.64 3.68 4.77 -1.26 -0.82 117.00 124.23 2vnu n LEU 407 Ca -0.14 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.58 2vnu n LEU 407 Cb 0.58 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2vnu n LEU 407 CO 0.25 -1.03 1.17 0.00 -1.33 0.00 0.00 177.39 176.45 2vnu s ALA 408 N -0.67 3.42 0.43 -1.18 0.00 0.04 -4.79 121.76 119.00 2vnu s ALA 408 Ca 0.63 0.28 0.14 0.00 0.00 0.00 0.00 51.96 53.01 2vnu s ALA 408 Cb -0.70 -3.75 1.02 0.00 0.00 0.00 0.00 23.12 19.69 2vnu s ALA 408 CO 0.57 -1.66 1.95 -1.00 0.00 0.00 0.00 175.76 175.62 2vnu h PRO 409 N 9.32 0.42 0.00 0.00 0.13 -1.90 -1.50 132.00 138.47 2vnu h PRO 409 Ca -0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2vnu h PRO 409 Cb 1.11 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2vnu h PRO 409 CO 1.01 0.28 0.00 -1.13 -0.23 0.00 0.00 178.00 177.93 2vnu n SER 410 N -4.47 0.00 -0.64 1.44 3.41 -1.26 -2.75 113.62 109.35 2vnu n SER 410 Ca 0.12 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 2vnu n SER 410 Cb 0.44 -0.43 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2vnu n SER 410 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vnu n SER 411 N -1.43 2.29 -4.51 4.04 3.41 -0.57 -4.92 113.62 111.93 2vnu n SER 411 Ca 0.07 -1.65 -0.34 0.00 -0.26 0.00 0.00 58.87 56.70 2vnu n SER 411 Cb 0.25 0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 2vnu n SER 411 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2vnu s VAL 412 N -2.29 3.71 -0.49 -3.33 1.01 -1.11 -4.41 120.40 113.48 2vnu s VAL 412 Ca 0.23 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 2vnu s VAL 412 Cb 0.19 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 34.04 2vnu s VAL 412 CO 0.46 0.54 0.61 1.51 0.00 0.00 0.00 175.10 178.22 2vnu s ASP 413 N -0.08 6.23 0.13 3.32 1.47 -1.26 -4.96 116.67 121.51 2vnu s ASP 413 Ca 0.01 -0.83 0.18 0.00 1.18 0.00 0.00 52.55 53.08 2vnu s ASP 413 Cb -0.13 -2.29 0.77 0.00 -0.34 0.00 0.00 42.92 40.93 2vnu s ASP 413 CO 0.03 -0.85 1.55 -0.81 0.68 0.00 0.00 175.17 175.77 2vnu n PRO 414 N 6.12 0.09 0.00 2.11 -0.04 -1.26 -2.68 135.00 139.34 2vnu n PRO 414 Ca -0.06 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2vnu n PRO 414 Cb 0.46 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 2vnu n PRO 414 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2vnu n GLN 415 N -1.87 2.35 -2.97 0.54 3.00 -1.26 -4.85 117.38 112.32 2vnu n GLN 415 Ca 0.02 -0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 56.16 2vnu n GLN 415 Cb 0.18 -1.12 -0.05 0.00 0.00 0.00 0.00 30.24 29.25 2vnu n GLN 415 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2vnu s SER 416 N -1.74 7.20 -0.09 1.08 1.04 -1.09 -4.99 113.70 115.10 2vnu s SER 416 Ca 0.08 1.43 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 2vnu s SER 416 Cb 0.10 -2.47 -0.28 0.00 0.10 0.00 0.00 66.02 63.47 2vnu s SER 416 CO 0.37 -0.02 0.59 -1.28 0.98 0.00 0.00 173.24 173.87 2vnu h SER 417 N 5.89 0.41 -3.17 7.02 0.87 -1.92 -3.44 113.55 119.21 2vnu h SER 417 Ca -0.43 -0.87 -0.41 0.00 -1.23 0.00 0.00 61.79 58.85 2vnu h SER 417 Cb 1.20 -0.13 0.21 0.00 -0.44 0.00 0.00 62.40 63.24 2vnu h SER 417 CO 0.72 1.63 -0.05 -0.44 -0.53 0.00 0.00 176.83 178.16 2vnu s SER 418 N -7.06 -0.14 0.12 6.23 0.01 -1.26 -4.80 113.70 106.80 2vnu s SER 418 Ca -0.19 1.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.83 2vnu s SER 418 Cb 0.04 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.63 2vnu s SER 418 CO 0.78 -4.83 1.10 0.42 0.41 0.00 0.00 173.24 171.12 2vnu s THR 419 N -2.42 4.10 0.12 1.44 -4.23 -1.26 -4.71 115.64 108.68 2vnu s THR 419 Ca 0.69 1.67 0.10 0.00 -1.18 0.00 0.00 61.69 62.97 2vnu s THR 419 Cb -0.17 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.56 2vnu s THR 419 CO 0.60 0.22 -0.26 -1.10 -0.54 0.00 0.00 174.62 173.55 2vnu s GLN 420 N 0.25 1.35 -0.39 3.99 -0.21 -0.59 -4.93 119.66 119.13 2vnu s GLN 420 Ca 0.52 -1.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.37 2vnu s GLN 420 Cb -0.28 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 31.96 2vnu s GLN 420 CO 0.32 0.42 0.80 -0.80 -2.12 0.00 0.00 175.29 173.91 2vnu s ASN 421 N -2.00 6.52 0.29 5.90 0.01 -1.26 -2.14 114.94 122.26 2vnu s ASN 421 Ca 0.12 0.24 0.10 0.00 -0.71 0.00 0.00 52.86 52.61 2vnu s ASN 421 Cb -0.10 -2.40 -0.06 0.00 0.41 0.00 0.00 41.25 39.11 2vnu s ASN 421 CO 0.05 -0.80 -0.14 0.68 -1.51 0.00 0.00 177.10 175.39 2vnu s VAL 422 N 3.19 2.19 0.01 1.60 -7.23 -0.63 -4.82 120.40 114.71 2vnu s VAL 422 Ca 0.32 -2.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2vnu s VAL 422 Cb -0.13 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2vnu s VAL 422 CO 0.19 -0.35 0.05 -0.36 -0.31 0.00 0.00 175.10 174.32 2vnu s PHE 423 N -2.67 3.20 -0.19 2.82 0.40 -1.26 -1.48 117.98 118.79 2vnu s PHE 423 Ca 0.30 0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.74 2vnu s PHE 423 Cb -0.01 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 2vnu s PHE 423 CO 0.14 0.52 -0.07 0.08 0.70 0.00 0.00 175.22 176.58 2vnu s VAL 424 N -1.19 3.30 -0.32 -0.44 1.01 0.16 -0.78 120.40 122.14 2vnu s VAL 424 Ca 0.23 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 2vnu s VAL 424 Cb -0.12 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2vnu s VAL 424 CO 0.14 0.46 0.45 -0.63 0.00 0.00 0.00 175.10 175.53 2vnu s ILE 425 N 1.01 5.09 0.00 2.22 1.01 -0.00 -1.51 121.20 129.02 2vnu s ILE 425 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2vnu s ILE 425 Cb -0.15 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2vnu s ILE 425 CO -0.00 -0.07 0.00 0.18 0.00 0.00 0.00 174.94 175.05 2vnu n LEU 426 N 5.55 0.00 0.00 2.97 4.32 -1.26 -0.66 117.00 127.93 2vnu n LEU 426 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 2vnu n LEU 426 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2vnu n LEU 426 CO 0.42 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.92 2vnu n ASP 428 N 0.00 0.00 0.00 -1.43 -0.08 -1.26 -4.93 116.55 108.85 2vnu n ASP 428 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 2vnu n ASP 428 Cb 0.00 0.00 0.48 0.00 2.34 0.00 0.00 41.12 43.94 2vnu n ASP 428 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2vnu n LYS 429 N 1.44 0.41 0.16 -0.67 2.85 -1.26 -2.24 118.16 118.85 2vnu n LYS 429 Ca 0.00 0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.44 2vnu n LYS 429 Cb 0.00 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.07 2vnu n LYS 429 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2vnu s LEU 431 N -5.50 4.28 0.90 0.00 1.43 -0.95 -4.70 118.68 114.14 2vnu s LEU 431 Ca 0.06 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 2vnu s LEU 431 Cb 0.08 -2.97 0.13 0.00 0.03 0.00 0.00 46.19 43.47 2vnu s LEU 431 CO 0.68 -0.06 1.09 -2.16 0.23 0.00 0.00 176.35 176.14 2vnu s PRO 432 N -3.72 1.23 0.53 1.29 0.04 -1.26 -4.38 135.00 128.73 2vnu s PRO 432 Ca 0.35 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2vnu s PRO 432 Cb -0.10 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2vnu s PRO 432 CO 0.30 -2.25 1.02 -1.59 0.04 0.00 0.00 177.00 174.52 2vnu s LYS 433 N -4.96 3.71 -0.09 4.56 -2.85 -1.26 -4.52 119.74 114.34 2vnu s LYS 433 Ca 0.63 1.17 0.02 0.00 -1.00 0.00 0.00 55.97 56.79 2vnu s LYS 433 Cb -0.18 -2.09 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 2vnu s LYS 433 CO 0.57 -0.48 -0.14 0.08 0.10 0.00 0.00 175.35 175.48 2vnu s VAL 434 N -2.34 1.33 -0.18 1.79 1.01 -0.57 -4.11 120.40 117.33 2vnu s VAL 434 Ca 0.63 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2vnu s VAL 434 Cb -0.14 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2vnu s VAL 434 CO 0.28 0.41 1.00 0.00 0.00 0.00 0.00 175.10 176.79 2vnu s ARG 435 N 0.90 4.32 0.24 2.72 3.03 -0.66 0.39 118.95 129.88 2vnu s ARG 435 Ca -0.09 1.32 0.10 0.00 2.03 0.00 0.00 55.73 59.09 2vnu s ARG 435 Cb -0.15 -3.60 -0.04 0.00 -1.03 0.00 0.00 34.95 30.12 2vnu s ARG 435 CO 0.00 -0.49 -0.10 0.96 -1.13 0.00 0.00 175.30 174.54 2vnu s ILE 436 N 2.68 3.02 -0.21 4.99 -4.36 -0.55 -1.55 121.20 125.21 2vnu s ILE 436 Ca 0.45 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.85 2vnu s ILE 436 Cb -0.16 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.00 2vnu s ILE 436 CO 0.11 -0.28 -0.12 -0.60 0.24 0.00 0.00 174.94 174.29 2vnu s ARG 437 N -3.29 3.06 -0.09 0.37 3.52 -1.26 -1.61 118.95 119.65 2vnu s ARG 437 Ca 0.28 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 54.92 2vnu s ARG 437 Cb -0.07 -2.80 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 2vnu s ARG 437 CO 0.16 -0.25 0.38 -0.08 -0.81 0.00 0.00 175.30 174.70 2vnu s THR 438 N 1.35 0.02 -1.79 4.11 -1.32 -0.91 -4.85 115.64 112.25 2vnu s THR 438 Ca 0.04 -0.19 0.28 0.00 -1.21 0.00 0.00 61.69 60.61 2vnu s THR 438 Cb -0.14 -0.61 0.42 0.00 -1.51 0.00 0.00 72.50 70.66 2vnu s THR 438 CO -0.08 -0.10 1.76 -2.11 -2.21 0.00 0.00 174.62 171.87 2vnu n ARG 439 N 2.11 0.86 -0.51 7.08 0.00 -1.26 -1.54 116.66 123.39 2vnu n ARG 439 Ca -0.17 -0.40 0.08 0.00 -0.00 0.00 0.00 57.85 57.36 2vnu n ARG 439 Cb 0.57 -1.49 0.28 0.00 -0.00 0.00 0.00 32.46 31.82 2vnu n ARG 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2vnu n ARG 440 N -0.72 3.41 -0.25 2.89 0.63 -1.26 -4.77 116.66 116.59 2vnu n ARG 440 Ca 0.14 -2.77 -0.02 0.00 -0.92 0.00 0.00 57.85 54.28 2vnu n ARG 440 Cb 0.30 -1.82 0.04 0.00 0.45 0.00 0.00 32.46 31.43 2vnu n ARG 440 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vnu h ALA 441 N 2.65 0.16 -0.49 5.13 0.00 -1.90 -0.30 119.26 124.50 2vnu h ALA 441 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2vnu h ALA 441 Cb 1.41 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 2vnu h ALA 441 CO 0.23 -0.58 0.03 0.00 0.00 0.00 0.00 179.25 178.93 2vnu h ALA 442 N 1.29 1.13 0.00 0.00 0.00 -1.85 -2.57 119.26 117.26 2vnu h ALA 442 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vnu h ALA 442 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2vnu h ALA 442 CO -0.76 0.56 0.00 1.05 0.00 0.00 0.00 179.25 180.11 2vnu h GLU 443 N 0.75 0.00 -0.52 0.00 4.11 -1.44 -3.04 114.58 114.44 2vnu h GLU 443 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2vnu h GLU 443 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2vnu h GLU 443 CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 2vnu n LEU 444 N -2.69 4.53 0.36 3.06 4.77 -0.87 -4.87 117.00 121.30 2vnu n LEU 444 Ca 0.02 -2.59 -0.16 0.00 -0.03 0.00 0.00 56.01 53.24 2vnu n LEU 444 Cb 0.29 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 2vnu n LEU 444 CO 0.24 0.75 0.49 0.25 -1.33 0.00 0.00 177.39 177.79 2vnu h LEU 445 N 3.35 -0.78 -5.77 2.23 6.46 -1.54 -3.15 115.31 116.11 2vnu h LEU 445 Ca 0.00 -0.01 -0.70 0.00 -0.12 0.00 0.00 57.88 57.06 2vnu h LEU 445 Cb 1.45 0.20 -0.35 0.00 -0.73 0.00 0.00 40.66 41.24 2vnu h LEU 445 CO 0.25 -0.45 0.16 0.47 -0.62 0.00 0.00 178.44 178.25 2vnu n ASP 446 N -5.42 5.85 -4.25 1.25 9.92 -1.26 -4.44 116.55 118.20 2vnu n ASP 446 Ca -0.13 -3.68 -0.15 0.00 -0.53 0.00 0.00 54.79 50.30 2vnu n ASP 446 Cb 0.38 -0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 39.91 2vnu n ASP 446 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2vnu s LYS 447 N -3.86 1.06 -0.33 -1.24 1.02 -1.19 -3.06 119.74 112.14 2vnu s LYS 447 Ca 0.44 -1.42 -0.20 0.00 0.02 0.00 0.00 55.97 54.81 2vnu s LYS 447 Cb 0.23 -0.68 -0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2vnu s LYS 447 CO -0.13 0.09 0.60 0.50 -0.92 0.00 0.00 175.35 175.49 2vnu s ARG 448 N -3.56 3.78 0.10 1.68 6.06 0.11 -4.53 118.95 122.58 2vnu s ARG 448 Ca 0.16 0.13 0.09 0.00 -2.50 0.00 0.00 55.73 53.60 2vnu s ARG 448 Cb 0.01 -3.77 -0.03 0.00 0.06 0.00 0.00 34.95 31.22 2vnu s ARG 448 CO 0.01 -0.63 -0.23 0.96 -2.50 0.00 0.00 175.30 172.92 2vnu s ILE 449 N 2.58 1.89 -0.19 4.11 -4.36 -0.47 -0.38 121.20 124.38 2vnu s ILE 449 Ca 0.23 -1.54 -0.10 0.00 -0.26 0.00 0.00 60.65 58.99 2vnu s ILE 449 Cb -0.15 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 2vnu s ILE 449 CO 0.13 0.05 0.13 -0.69 0.24 0.00 0.00 174.94 174.80 2vnu s VAL 450 N -1.05 5.39 0.21 8.37 1.01 -0.13 -0.84 120.40 133.36 2vnu s VAL 450 Ca 0.09 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.35 2vnu s VAL 450 Cb -0.10 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2vnu s VAL 450 CO 0.04 0.45 -0.19 0.27 0.00 0.00 0.00 175.10 175.68 2vnu s ILE 451 N 0.28 2.06 -0.03 2.22 -4.36 0.08 -0.21 121.20 121.23 2vnu s ILE 451 Ca 0.08 -2.15 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 2vnu s ILE 451 Cb -0.11 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 2vnu s ILE 451 CO -0.02 -0.39 -0.22 -0.55 0.24 0.00 0.00 174.94 174.00 2vnu s SER 452 N -3.07 3.36 -0.09 4.36 0.15 -0.28 -1.09 113.70 117.05 2vnu s SER 452 Ca 0.22 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2vnu s SER 452 Cb -0.04 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 2vnu s SER 452 CO 0.09 0.33 0.48 -0.63 1.20 0.00 0.00 173.24 174.71 2vnu s ILE 453 N -0.66 5.13 -0.25 6.45 1.01 -1.26 -0.77 121.20 130.85 2vnu s ILE 453 Ca 0.11 0.97 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 2vnu s ILE 453 Cb -0.10 -3.82 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 2vnu s ILE 453 CO -0.00 0.37 -0.18 0.47 0.00 0.00 0.00 174.94 175.60 2vnu n ASP 454 N 3.28 1.99 -3.60 3.58 8.00 0.09 -4.95 116.55 124.94 2vnu n ASP 454 Ca -0.08 0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.37 2vnu n ASP 454 Cb 0.52 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 2vnu n ASP 454 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2vnu s SER 455 N -6.80 -0.30 -0.38 -2.24 1.04 -1.10 -5.04 113.70 98.87 2vnu s SER 455 Ca -0.34 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2vnu s SER 455 Cb 0.10 0.43 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2vnu s SER 455 CO 0.59 -0.75 0.26 0.86 0.98 0.00 0.00 173.24 175.19 2vnu s TRP 456 N -3.21 0.99 0.64 5.02 -0.11 -1.26 -0.06 118.94 120.94 2vnu s TRP 456 Ca 0.08 -1.95 -0.16 0.00 1.22 0.00 0.00 56.10 55.28 2vnu s TRP 456 Cb -0.01 -1.02 -0.01 0.00 -1.50 0.00 0.00 33.47 30.92 2vnu s TRP 456 CO -0.05 -0.82 1.12 -2.14 -4.62 0.00 0.00 176.95 170.44 2vnu s PRO 457 N 0.63 2.88 0.56 5.86 0.02 -1.26 -4.88 135.00 138.81 2vnu s PRO 457 Ca 0.23 1.47 0.39 0.00 0.02 0.00 0.00 61.00 63.11 2vnu s PRO 457 Cb -0.14 -1.95 1.54 0.00 0.02 0.00 0.00 34.50 33.97 2vnu s PRO 457 CO -0.06 -1.20 1.69 0.00 -0.33 0.00 0.00 177.00 177.10 2vnu h THR 458 N 0.28 0.24 0.00 0.99 1.03 -1.96 -1.21 112.91 112.28 2vnu h THR 458 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2vnu h THR 458 Cb 1.25 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2vnu h THR 458 CO 0.54 0.00 -0.42 0.35 -0.01 0.00 0.00 175.52 175.98 2vnu n THR 459 N -3.97 0.11 -4.66 0.00 -2.24 -1.26 -2.36 114.28 99.90 2vnu n THR 459 Ca 0.30 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 2vnu n THR 459 Cb 1.47 -0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 2vnu n THR 459 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2vnu s HIS 460 N -3.04 2.90 0.01 4.78 4.02 -0.46 -4.91 115.29 118.59 2vnu s HIS 460 Ca 0.10 -0.10 0.23 0.00 1.02 0.00 0.00 55.06 56.31 2vnu s HIS 460 Cb 0.17 -1.74 0.71 0.00 -1.02 0.00 0.00 32.58 30.70 2vnu s HIS 460 CO 0.67 0.22 1.73 -0.22 1.02 0.00 0.00 174.74 178.16 2vnu h LYS 461 N 5.55 0.00 -5.43 1.40 3.64 -1.89 -3.45 116.57 116.39 2vnu h LYS 461 Ca -0.44 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.49 2vnu h LYS 461 Cb 1.17 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 2vnu h LYS 461 CO 0.53 0.24 -0.79 0.71 -2.27 0.00 0.00 179.45 177.87 2vnu s TYR 462 N -3.46 1.30 0.77 1.91 1.51 -1.26 -5.09 117.35 113.04 2vnu s TYR 462 Ca 0.02 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.56 2vnu s TYR 462 Cb 0.09 -0.75 0.06 0.00 -0.11 0.00 0.00 41.96 41.25 2vnu s TYR 462 CO 0.66 0.06 1.15 -1.25 -1.11 0.00 0.00 175.55 175.05 2vnu s PRO 463 N -1.38 1.99 -0.03 -1.71 0.04 -1.26 -4.81 135.00 127.84 2vnu s PRO 463 Ca 0.01 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2vnu s PRO 463 Cb -0.09 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2vnu s PRO 463 CO 0.02 -1.90 -0.03 -0.51 0.04 0.00 0.00 177.00 174.62 2vnu s LEU 464 N -5.65 3.37 0.00 -3.56 1.43 0.91 -1.66 118.68 113.52 2vnu s LEU 464 Ca 0.68 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2vnu s LEU 464 Cb -0.23 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2vnu s LEU 464 CO 0.50 0.32 0.00 0.61 0.23 0.00 0.00 176.35 178.01 2vnu n GLY 465 N 1.77 3.73 3.21 -3.19 0.00 -0.60 -0.73 105.19 109.39 2vnu n GLY 465 Ca -0.16 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 2vnu n GLY 465 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2vnu s HIS 466 N -3.37 -0.05 0.19 1.61 -3.43 0.05 -4.45 115.29 105.82 2vnu s HIS 466 Ca 0.00 -0.07 -0.31 0.00 -0.80 0.00 0.00 55.06 53.88 2vnu s HIS 466 Cb 0.00 0.04 -0.10 0.00 -1.43 0.00 0.00 32.58 31.09 2vnu s HIS 466 CO 0.00 -0.44 1.55 0.12 -2.00 0.00 0.00 174.74 173.97 2vnu s PHE 467 N -2.25 3.04 -0.13 0.38 5.36 -1.26 -1.12 117.98 122.00 2vnu s PHE 467 Ca -0.07 0.70 -0.13 0.00 -0.96 0.00 0.00 56.93 56.47 2vnu s PHE 467 Cb -0.02 -3.92 -0.05 0.00 -0.34 0.00 0.00 43.02 38.69 2vnu s PHE 467 CO -0.02 -3.30 -0.26 0.28 -1.46 0.00 0.00 175.22 170.46 2vnu n VAL 468 N 3.57 1.37 -3.71 3.12 0.31 0.70 -4.87 118.33 118.82 2vnu n VAL 468 Ca 0.12 0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 2vnu n VAL 468 Cb 0.39 -2.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.22 2vnu n VAL 468 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vnu s ARG 469 N -2.61 1.55 -0.20 5.55 1.70 -1.05 -5.00 118.95 118.89 2vnu s ARG 469 Ca -0.23 -0.82 -0.09 0.00 -0.47 0.00 0.00 55.73 54.12 2vnu s ARG 469 Cb 0.05 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.96 2vnu s ARG 469 CO 0.33 -0.69 0.11 0.34 -1.08 0.00 0.00 175.30 174.31 2vnu s ASP 470 N -2.86 6.04 -0.08 -2.89 3.68 -1.26 -0.95 116.67 118.35 2vnu s ASP 470 Ca 0.08 0.18 0.12 0.00 2.13 0.00 0.00 52.55 55.06 2vnu s ASP 470 Cb -0.03 -2.06 -0.23 0.00 -1.45 0.00 0.00 42.92 39.15 2vnu s ASP 470 CO -0.01 0.17 0.54 0.18 0.13 0.00 0.00 175.17 176.18 2vnu n LEU 471 N 3.56 0.89 0.00 -1.34 4.32 0.49 -4.97 117.00 119.94 2vnu n LEU 471 Ca -0.16 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2vnu n LEU 471 Cb 0.52 0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 2vnu n LEU 471 CO 0.36 0.44 0.00 0.61 -1.22 0.00 0.00 177.39 177.59 2vnu n GLY 472 N 1.62 0.79 3.77 -0.72 0.00 -1.22 -4.42 105.19 105.00 2vnu n GLY 472 Ca -0.21 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 2vnu n GLY 472 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vnu s THR 473 N -1.54 3.20 0.04 2.61 2.01 -1.26 0.05 115.64 120.75 2vnu s THR 473 Ca 0.00 0.55 0.33 0.00 0.31 0.00 0.00 61.69 62.88 2vnu s THR 473 Cb 0.00 -3.07 0.37 0.00 0.01 0.00 0.00 72.50 69.81 2vnu s THR 473 CO 0.00 -0.35 1.97 0.16 -0.69 0.00 0.00 174.62 175.71 2vnu h ILE 474 N -0.04 0.00 0.00 1.82 3.07 -1.85 -2.72 117.51 117.79 2vnu h ILE 474 Ca -0.47 -0.40 -0.10 0.00 1.55 0.00 0.00 64.86 65.44 2vnu h ILE 474 Cb 1.25 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 39.12 2vnu h ILE 474 CO 0.54 0.00 -0.95 -0.33 -1.05 0.00 0.00 178.15 176.35 2vnu h GLU 475 N 0.00 0.00 0.00 0.16 4.39 -1.92 -3.45 114.58 113.77 2vnu h GLU 475 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2vnu h GLU 475 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2vnu h GLU 475 CO 0.00 0.27 0.00 0.45 -1.16 0.00 0.00 179.01 178.57 2vnu n SER 476 N -2.96 0.00 0.00 1.42 2.88 -1.03 -4.93 113.62 109.00 2vnu n SER 476 Ca -0.03 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2vnu n SER 476 Cb 0.73 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2vnu n SER 476 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2vnu n ALA 477 N -1.31 0.00 -0.08 -1.46 0.00 -1.26 -4.82 120.51 111.58 2vnu n ALA 477 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2vnu n ALA 477 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2vnu n ALA 477 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2vnu h GLN 478 N 0.00 0.31 -0.13 0.00 -0.00 -1.95 -0.26 115.11 113.09 2vnu h GLN 478 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 2vnu h GLN 478 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.40 2vnu h GLN 478 CO 0.00 0.21 -0.18 0.00 -0.00 0.00 0.00 178.83 178.86 2vnu h ALA 479 N 1.14 1.47 0.00 0.06 0.00 -1.86 -0.46 119.26 119.61 2vnu h ALA 479 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2vnu h ALA 479 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2vnu h ALA 479 CO -0.07 0.38 -0.31 0.93 0.00 0.00 0.00 179.25 180.18 2vnu h GLU 480 N 0.20 0.00 0.18 0.00 4.39 -1.78 -1.37 114.58 116.20 2vnu h GLU 480 Ca 0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 2vnu h GLU 480 Cb 0.43 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2vnu h GLU 480 CO 0.03 0.01 -1.68 1.15 -1.16 0.00 0.00 179.01 177.36 2vnu h THR 481 N 0.00 0.98 -0.73 1.13 2.02 -0.88 -2.27 112.91 113.16 2vnu h THR 481 Ca -0.00 -2.50 -0.04 0.00 0.77 0.00 0.00 66.41 64.63 2vnu h THR 481 Cb 1.01 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 70.16 2vnu h THR 481 CO 0.00 0.83 0.29 -0.08 0.37 0.00 0.00 175.52 176.94 2vnu h GLU 482 N 0.04 1.09 -0.42 6.66 4.81 -1.15 -2.50 114.58 123.10 2vnu h GLU 482 Ca -0.33 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 2vnu h GLU 482 Cb 2.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.23 2vnu h GLU 482 CO 0.17 0.88 0.03 0.00 -0.73 0.00 0.00 179.01 179.36 2vnu h ALA 483 N 1.25 0.56 -0.62 2.92 0.00 -1.33 -2.35 119.26 119.70 2vnu h ALA 483 Ca 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2vnu h ALA 483 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2vnu h ALA 483 CO -0.02 0.31 0.24 1.25 0.00 0.00 0.00 179.25 181.03 2vnu h LEU 484 N 0.56 0.83 0.00 0.00 5.85 -1.31 -1.77 115.31 119.47 2vnu h LEU 484 Ca 0.12 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 2vnu h LEU 484 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2vnu h LEU 484 CO 0.02 0.75 -0.69 -0.07 -0.34 0.00 0.00 178.44 178.10 2vnu h LEU 485 N 0.89 0.00 0.24 2.25 3.38 -1.39 -3.01 115.31 117.67 2vnu h LEU 485 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2vnu h LEU 485 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2vnu h LEU 485 CO -0.02 0.62 -0.11 0.25 0.09 0.00 0.00 178.44 179.26 2vnu h LEU 486 N 0.00 -0.27 -1.46 1.67 5.85 -1.23 -0.27 115.31 119.60 2vnu h LEU 486 Ca -0.02 -0.25 0.16 0.00 0.84 0.00 0.00 57.88 58.60 2vnu h LEU 486 Cb 1.49 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 2vnu h LEU 486 CO 0.08 0.22 0.77 -0.33 -0.34 0.00 0.00 178.44 178.83 2vnu h GLU 487 N -0.88 0.00 -0.05 1.25 4.39 -1.36 -0.61 114.58 117.32 2vnu h GLU 487 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2vnu h GLU 487 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2vnu h GLU 487 CO 0.05 0.00 -0.23 0.72 -1.16 0.00 0.00 179.01 178.40 2vnu n HIS 488 N -3.32 0.16 -0.53 4.33 8.25 -1.14 -5.02 115.22 117.95 2vnu n HIS 488 Ca 0.11 -1.27 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 2vnu n HIS 488 Cb 0.96 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.83 2vnu n HIS 488 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2vnu n ASP 489 N -1.21 0.00 -4.66 0.41 5.75 -0.24 -4.85 116.55 111.75 2vnu n ASP 489 Ca 0.19 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.57 2vnu n ASP 489 Cb 0.71 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.75 2vnu n ASP 489 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2vnu s VAL 490 N -0.52 4.97 -0.01 2.12 1.01 -0.13 -5.03 120.40 122.80 2vnu s VAL 490 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 2vnu s VAL 490 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2vnu s VAL 490 CO 0.00 0.06 1.22 -0.70 0.00 0.00 0.00 175.10 175.68 2vnu s GLU 491 N 2.13 4.38 0.00 2.72 2.56 -1.26 -4.73 118.70 124.49 2vnu s GLU 491 Ca 0.31 1.73 0.00 0.00 0.00 0.00 0.00 54.97 57.01 2vnu s GLU 491 Cb -0.16 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.48 2vnu s GLU 491 CO 0.10 -0.39 0.62 2.48 -0.56 0.00 0.00 175.26 177.52 2vnu n TYR 492 N 4.77 0.00 -1.02 5.30 4.11 -1.26 -4.98 117.16 124.09 2vnu n TYR 492 Ca 0.10 -0.16 -0.33 0.00 -0.00 0.00 0.00 57.90 57.51 2vnu n TYR 492 Cb 0.46 -0.02 0.13 0.00 -0.00 0.00 0.00 39.34 39.92 2vnu n TYR 492 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2vnu n ARG 493 N -0.16 0.04 -1.69 -3.48 1.74 -1.26 -4.97 116.66 106.88 2vnu n ARG 493 Ca 0.00 0.09 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 2vnu n ARG 493 Cb 0.38 -2.38 0.07 0.00 -1.02 0.00 0.00 32.46 29.50 2vnu n ARG 493 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2vnu s PRO 494 N -4.14 2.52 0.16 5.56 0.02 -1.26 -4.95 135.00 132.92 2vnu s PRO 494 Ca 0.71 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 2vnu s PRO 494 Cb -0.28 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 2vnu s PRO 494 CO 0.53 -1.55 1.52 -0.06 -0.33 0.00 0.00 177.00 177.12 2vnu s PHE 495 N -1.81 3.09 0.84 6.54 0.40 -1.26 -4.97 117.98 120.81 2vnu s PHE 495 Ca 0.76 0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 57.70 2vnu s PHE 495 Cb -0.30 -3.87 0.10 0.00 0.51 0.00 0.00 43.02 39.46 2vnu s PHE 495 CO 0.40 -3.17 1.16 -1.54 0.70 0.00 0.00 175.22 172.77 2vnu s SER 496 N 1.06 3.49 0.32 1.36 1.04 -1.26 -4.74 113.70 114.97 2vnu s SER 496 Ca 0.68 2.19 0.05 0.00 0.48 0.00 0.00 55.95 59.36 2vnu s SER 496 Cb -0.42 -2.57 0.70 0.00 0.10 0.00 0.00 66.02 63.83 2vnu s SER 496 CO 0.32 -2.73 1.86 0.50 0.98 0.00 0.00 173.24 174.17 2vnu h LYS 497 N -1.33 0.81 -0.55 4.02 1.63 -1.98 -0.91 116.57 118.25 2vnu h LYS 497 Ca -0.44 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.34 2vnu h LYS 497 Cb 1.27 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.68 2vnu h LYS 497 CO 0.45 0.53 0.31 -0.22 -3.45 0.00 0.00 179.45 177.08 2vnu h LYS 498 N 0.83 0.59 -0.03 1.90 3.64 -1.99 0.02 116.57 121.53 2vnu h LYS 498 Ca 0.47 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2vnu h LYS 498 Cb 0.60 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2vnu h LYS 498 CO -0.23 0.39 0.02 0.28 -2.27 0.00 0.00 179.45 177.64 2vnu h VAL 499 N 0.61 1.07 0.00 2.00 2.07 -1.65 -3.13 116.25 117.21 2vnu h VAL 499 Ca 0.23 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2vnu h VAL 499 Cb 0.08 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2vnu h VAL 499 CO -0.13 0.05 -0.06 -0.07 0.02 0.00 0.00 177.57 177.38 2vnu h LEU 500 N -0.03 0.00 -0.84 2.57 3.38 -0.80 -1.71 115.31 117.88 2vnu h LEU 500 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vnu h LEU 500 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2vnu h LEU 500 CO -0.00 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 2vnu n GLU 501 N -4.23 0.12 0.07 1.13 1.02 -0.04 -2.35 120.64 116.36 2vnu n GLU 501 Ca -0.03 0.51 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 2vnu n GLU 501 Cb 0.14 -1.82 0.09 0.00 -0.02 0.00 0.00 31.44 29.84 2vnu n GLU 501 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vnu s LEU 503 N -4.59 3.63 0.24 0.00 1.43 -0.99 -4.93 118.68 113.47 2vnu s LEU 503 Ca 0.03 1.98 -0.31 0.00 -1.03 0.00 0.00 54.13 54.81 2vnu s LEU 503 Cb 0.12 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.65 2vnu s LEU 503 CO 0.76 -1.18 1.34 -2.65 0.23 0.00 0.00 176.35 174.85 2vnu n PRO 504 N -1.64 1.88 -0.23 1.29 -0.02 -1.26 -4.85 135.00 130.18 2vnu n PRO 504 Ca 0.10 0.67 0.20 0.00 -2.02 0.00 0.00 63.50 62.45 2vnu n PRO 504 Cb 0.52 -2.28 0.54 0.00 -0.02 0.00 0.00 33.50 32.26 2vnu n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vnu h ALA 505 N 3.81 2.29 0.00 3.55 0.00 -1.95 -0.80 119.26 126.15 2vnu h ALA 505 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2vnu h ALA 505 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2vnu h ALA 505 CO 0.73 -0.57 0.00 0.93 0.00 0.00 0.00 179.25 180.34 2vnu h GLU 506 N 0.35 0.00 0.00 0.00 3.07 -1.93 -3.48 114.58 112.59 2vnu h GLU 506 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2vnu h GLU 506 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2vnu h GLU 506 CO -0.15 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.87 2vnu n GLY 507 N -0.01 3.17 0.00 -3.84 0.00 -0.31 -1.80 105.19 102.40 2vnu n GLY 507 Ca 0.01 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.93 2vnu n GLY 507 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vnu n HIS 508 N 13.78 0.00 0.82 1.61 8.25 -1.26 -2.57 115.22 135.86 2vnu n HIS 508 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 2vnu n HIS 508 Cb 0.00 -0.34 0.16 0.00 1.12 0.00 0.00 29.99 30.93 2vnu n HIS 508 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2vnu n ASP 509 N -1.34 1.98 -4.73 0.41 8.00 -0.75 -4.93 116.55 115.19 2vnu n ASP 509 Ca 0.08 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.15 2vnu n ASP 509 Cb 0.18 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2vnu n ASP 509 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2vnu s TRP 510 N -1.53 3.10 0.00 1.24 -0.00 -1.06 -4.96 118.94 115.73 2vnu s TRP 510 Ca 0.24 0.98 0.04 0.00 -0.00 0.00 0.00 56.10 57.36 2vnu s TRP 510 Cb 0.13 -3.78 -0.01 0.00 -0.00 0.00 0.00 33.47 29.80 2vnu s TRP 510 CO 0.16 -2.63 -0.14 -1.59 -0.00 0.00 0.00 176.95 172.75 2vnu s LYS 511 N 0.15 1.07 0.27 5.86 0.00 -1.26 -5.07 119.74 120.76 2vnu s LYS 511 Ca 0.62 -0.57 -0.29 0.00 0.00 0.00 0.00 55.97 55.72 2vnu s LYS 511 Cb -0.41 -1.05 -0.10 0.00 0.00 0.00 0.00 37.83 36.28 2vnu s LYS 511 CO 0.38 0.28 1.29 0.00 0.00 0.00 0.00 175.35 177.31 2vnu s ALA 512 N -0.47 3.51 0.41 0.59 0.00 -1.26 -5.00 121.76 119.54 2vnu s ALA 512 Ca 0.04 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 2vnu s ALA 512 Cb -0.06 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 2vnu s ALA 512 CO -0.00 -0.55 1.40 -1.25 0.00 0.00 0.00 175.76 175.36 2vnu s PRO 513 N -1.02 3.90 0.00 0.00 0.04 -1.26 -4.96 135.00 131.70 2vnu s PRO 513 Ca 0.52 2.37 -0.25 0.00 0.04 0.00 0.00 61.00 63.68 2vnu s PRO 513 Cb -0.38 -2.78 -0.19 0.00 0.04 0.00 0.00 34.50 31.19 2vnu s PRO 513 CO 0.45 -0.62 1.35 1.15 0.04 0.00 0.00 177.00 179.36 2vnu h THR 514 N 2.55 1.33 -3.58 1.26 2.02 -2.03 -3.42 112.91 111.05 2vnu h THR 514 Ca -0.50 -1.00 -0.67 0.00 0.77 0.00 0.00 66.41 65.01 2vnu h THR 514 Cb 1.25 1.96 -0.26 0.00 -1.74 0.00 0.00 68.15 69.36 2vnu h THR 514 CO 0.62 0.26 -0.64 -0.54 0.37 0.00 0.00 175.52 175.60 2vnu s LYS 515 N -4.54 3.20 0.40 6.66 1.02 -1.26 -5.00 119.74 120.22 2vnu s LYS 515 Ca -0.15 -0.78 0.27 0.00 0.02 0.00 0.00 55.97 55.33 2vnu s LYS 515 Cb 0.03 -3.29 1.47 0.00 -0.52 0.00 0.00 37.83 35.52 2vnu s LYS 515 CO 0.68 -0.37 1.83 -0.07 -0.92 0.00 0.00 175.35 176.50 2vnu h LEU 516 N 8.20 0.00 -2.94 3.17 4.07 -1.92 -1.18 115.31 124.71 2vnu h LEU 516 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2vnu h LEU 516 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2vnu h LEU 516 CO 0.60 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.06 2vnu n ASP 517 N -2.45 3.32 -4.68 -0.43 5.75 -1.26 -4.32 116.55 112.49 2vnu n ASP 517 Ca -0.02 -2.18 -0.49 0.00 -0.01 0.00 0.00 54.79 52.10 2vnu n ASP 517 Cb 0.05 -0.33 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 2vnu n ASP 517 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2vnu n ASP 518 N 0.55 3.38 -0.15 -1.12 2.03 -0.45 -4.86 116.55 115.94 2vnu n ASP 518 Ca 0.16 0.95 0.12 0.00 0.52 0.00 0.00 54.79 56.53 2vnu n ASP 518 Cb 0.55 -1.36 0.46 0.00 -0.72 0.00 0.00 41.12 40.05 2vnu n ASP 518 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2vnu h PRO 519 N 9.36 0.50 0.45 -0.67 0.13 -1.94 0.64 132.00 140.48 2vnu h PRO 519 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2vnu h PRO 519 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2vnu h PRO 519 CO 0.95 0.33 -0.22 0.93 -0.23 0.00 0.00 178.00 179.77 2vnu h GLU 520 N 0.51 -0.58 -0.78 0.86 3.07 -1.98 -2.09 114.58 113.59 2vnu h GLU 520 Ca 0.33 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 59.33 2vnu h GLU 520 Cb 0.59 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.56 2vnu h GLU 520 CO -0.11 -0.28 0.42 0.00 -1.40 0.00 0.00 179.01 177.64 2vnu h ALA 521 N -0.64 1.12 0.00 3.43 0.00 -1.83 -1.83 119.26 119.51 2vnu h ALA 521 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2vnu h ALA 521 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2vnu h ALA 521 CO 0.10 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.57 2vnu h VAL 522 N 0.68 0.22 0.00 0.00 2.07 -0.90 -1.52 116.25 116.80 2vnu h VAL 522 Ca 0.39 -0.57 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 2vnu h VAL 522 Cb 0.42 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2vnu h VAL 522 CO -0.28 0.07 -0.62 -1.28 0.02 0.00 0.00 177.57 175.48 2vnu h SER 523 N 0.00 0.54 0.11 0.57 0.87 -0.59 -2.32 113.55 112.73 2vnu h SER 523 Ca -0.00 -0.76 -0.17 0.00 -1.23 0.00 0.00 61.79 59.62 2vnu h SER 523 Cb 0.46 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2vnu h SER 523 CO 0.01 1.24 -0.64 0.11 -0.53 0.00 0.00 176.83 177.02 2vnu h LYS 524 N -0.09 0.51 -3.03 2.24 1.57 -1.53 -3.39 116.57 112.84 2vnu h LYS 524 Ca -0.08 -0.36 -0.62 0.00 -1.87 0.00 0.00 60.65 57.72 2vnu h LYS 524 Cb 1.33 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.30 2vnu h LYS 524 CO 0.12 0.98 -0.71 0.34 -0.57 0.00 0.00 179.45 179.61 2vnu s ASP 525 N -6.96 3.77 0.44 0.86 2.15 -0.57 -4.98 116.67 111.37 2vnu s ASP 525 Ca -0.07 -2.92 0.16 0.00 0.43 0.00 0.00 52.55 50.15 2vnu s ASP 525 Cb 0.11 -1.19 1.00 0.00 -0.30 0.00 0.00 42.92 42.54 2vnu s ASP 525 CO 0.84 -0.22 1.96 1.55 -0.17 0.00 0.00 175.17 179.13 2vnu h PRO 526 N 6.40 0.00 0.00 4.34 0.13 -1.63 -2.85 132.00 138.39 2vnu h PRO 526 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2vnu h PRO 526 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2vnu h PRO 526 CO 0.55 0.23 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 2vnu n LEU 527 N -4.13 0.00 0.34 1.56 4.77 -1.26 -3.74 117.00 114.54 2vnu n LEU 527 Ca -0.02 0.45 0.22 0.00 -0.03 0.00 0.00 56.01 56.63 2vnu n LEU 527 Cb 0.29 -0.45 1.20 0.00 -2.33 0.00 0.00 43.42 42.13 2vnu n LEU 527 CO 0.36 -0.20 1.18 0.25 -1.33 0.00 0.00 177.39 177.66 2vnu h LEU 528 N 0.00 0.00 -0.23 2.23 5.85 -1.84 -1.68 115.31 119.64 2vnu h LEU 528 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2vnu h LEU 528 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2vnu h LEU 528 CO 0.00 0.00 -0.07 0.35 -0.34 0.00 0.00 178.44 178.38 2vnu n THR 529 N -3.08 0.00 0.96 1.05 -2.24 -1.25 -2.20 114.28 107.52 2vnu n THR 529 Ca -0.03 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2vnu n THR 529 Cb 0.09 -0.16 0.17 0.00 -2.10 0.00 0.00 70.33 68.32 2vnu n THR 529 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vnu n LYS 530 N -0.90 2.28 -3.24 -0.78 5.02 -0.63 -4.95 118.16 114.95 2vnu n LYS 530 Ca 0.16 -1.86 -0.39 0.00 -2.02 0.00 0.00 58.31 54.20 2vnu n LYS 530 Cb 0.25 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 2vnu n LYS 530 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2vnu s ARG 531 N -1.92 4.31 -0.10 1.97 3.52 -0.93 -4.61 118.95 121.18 2vnu s ARG 531 Ca 0.31 0.63 -0.20 0.00 -0.13 0.00 0.00 55.73 56.34 2vnu s ARG 531 Cb 0.20 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2vnu s ARG 531 CO 0.31 0.28 0.54 0.15 -0.81 0.00 0.00 175.30 175.77 2vnu s LYS 532 N 0.15 4.37 -0.66 5.12 -0.14 0.14 -4.91 119.74 123.81 2vnu s LYS 532 Ca 0.30 0.58 -0.27 0.00 -1.36 0.00 0.00 55.97 55.21 2vnu s LYS 532 Cb -0.17 -3.44 0.01 0.00 -1.68 0.00 0.00 37.83 32.55 2vnu s LYS 532 CO 0.15 0.14 1.54 0.34 -0.76 0.00 0.00 175.35 176.75 2vnu s ASP 533 N 0.65 5.80 -0.31 2.83 -1.08 -1.26 -1.16 116.67 122.12 2vnu s ASP 533 Ca 0.29 -0.01 0.08 0.00 -0.52 0.00 0.00 52.55 52.40 2vnu s ASP 533 Cb -0.16 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.29 2vnu s ASP 533 CO 0.13 -2.03 1.53 0.18 0.52 0.00 0.00 175.17 175.49 2vnu n LEU 534 N 10.77 4.50 0.00 -1.34 4.77 -0.42 -4.70 117.00 130.59 2vnu n LEU 534 Ca 0.12 -3.74 0.01 0.00 -0.03 0.00 0.00 56.01 52.37 2vnu n LEU 534 Cb 0.50 -0.66 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2vnu n LEU 534 CO 0.71 1.22 0.41 0.54 -1.33 0.00 0.00 177.39 178.94 2vnu n ARG 535 N -1.11 0.70 -0.00 3.23 1.74 -1.07 -2.04 116.66 118.11 2vnu n ARG 535 Ca 0.37 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.55 2vnu n ARG 535 Cb 1.13 -1.06 -0.13 0.00 -1.02 0.00 0.00 32.46 31.38 2vnu n ARG 535 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2vnu n ASP 536 N -0.56 0.57 -4.74 0.55 5.75 -1.26 -4.73 116.55 112.13 2vnu n ASP 536 Ca 0.02 -0.54 -0.41 0.00 -0.01 0.00 0.00 54.79 53.85 2vnu n ASP 536 Cb 0.01 1.39 -0.04 0.00 -1.03 0.00 0.00 41.12 41.45 2vnu n ASP 536 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2vnu s LYS 537 N -3.22 4.60 -1.25 0.11 -0.14 -0.87 -4.96 119.74 114.02 2vnu s LYS 537 Ca 0.01 1.72 -0.18 0.00 -1.36 0.00 0.00 55.97 56.15 2vnu s LYS 537 Cb 0.15 -3.27 0.07 0.00 -1.68 0.00 0.00 37.83 33.10 2vnu s LYS 537 CO 0.88 0.09 1.67 -0.51 -0.76 0.00 0.00 175.35 176.72 2vnu s LEU 538 N -0.45 3.89 0.24 3.17 1.43 -1.26 -4.79 118.68 120.91 2vnu s LEU 538 Ca 0.49 -2.33 -0.07 0.00 -1.03 0.00 0.00 54.13 51.19 2vnu s LEU 538 Cb -0.29 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 2vnu s LEU 538 CO 0.35 -1.19 0.52 -0.63 0.23 0.00 0.00 176.35 175.63 2vnu s ILE 539 N 4.14 5.01 0.16 -0.59 1.01 -1.26 -4.62 121.20 125.05 2vnu s ILE 539 Ca 0.52 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.28 2vnu s ILE 539 Cb 0.03 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2vnu s ILE 539 CO 0.04 -0.15 0.33 0.00 0.00 0.00 0.00 174.94 175.17 2vnu s SER 541 N -2.92 2.42 -0.14 0.00 1.04 -0.74 -0.70 113.70 112.66 2vnu s SER 541 Ca 0.12 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 2vnu s SER 541 Cb 0.02 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.06 2vnu s SER 541 CO -0.03 0.04 -0.02 -0.63 0.98 0.00 0.00 173.24 173.57 2vnu s ILE 542 N -1.21 0.77 0.25 -1.02 1.01 -1.26 -0.36 121.20 119.38 2vnu s ILE 542 Ca 0.06 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2vnu s ILE 542 Cb -0.10 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2vnu s ILE 542 CO 0.04 0.10 0.18 -1.81 0.00 0.00 0.00 174.94 173.45 2vnu s ASP 543 N 1.78 0.68 0.71 3.58 1.01 -0.23 -4.86 116.67 119.35 2vnu s ASP 543 Ca 0.02 -1.52 -0.16 0.00 0.71 0.00 0.00 52.55 51.60 2vnu s ASP 543 Cb -0.15 0.44 -0.01 0.00 1.01 0.00 0.00 42.92 44.22 2vnu s ASP 543 CO -0.07 -0.92 0.84 -2.65 0.21 0.00 0.00 175.17 172.58 2vnu n PRO 544 N -0.39 0.46 -1.63 8.23 -0.02 -1.26 -1.49 135.00 138.89 2vnu n PRO 544 Ca 0.04 0.21 -0.47 0.00 -2.02 0.00 0.00 63.50 61.26 2vnu n PRO 544 Cb 0.65 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2vnu n PRO 544 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vnu n PRO 545 N -1.51 1.70 -3.25 0.52 -0.02 -1.26 -3.52 135.00 127.67 2vnu n PRO 545 Ca 0.12 0.61 -0.26 0.00 -2.02 0.00 0.00 63.50 61.95 2vnu n PRO 545 Cb 0.49 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2vnu n PRO 545 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vnu n GLY 546 N 2.27 -0.47 2.94 -1.23 0.00 -1.26 -5.02 105.19 102.42 2vnu n GLY 546 Ca 0.14 1.14 -0.24 0.00 0.00 0.00 0.00 46.02 47.06 2vnu n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vnu n VAL 548 N 4.36 0.68 -2.69 0.00 0.24 -1.26 -4.70 118.33 114.96 2vnu n VAL 548 Ca -0.18 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.34 61.01 2vnu n VAL 548 Cb 0.51 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2vnu n VAL 548 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2vnu n ASP 549 N -2.50 5.47 -4.58 -1.34 5.75 -1.26 -4.57 116.55 113.52 2vnu n ASP 549 Ca -0.18 -3.15 -0.43 0.00 -0.01 0.00 0.00 54.79 51.02 2vnu n ASP 549 Cb 0.86 -1.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 2vnu n ASP 549 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vnu s ILE 550 N -0.29 4.16 0.03 2.12 1.01 -1.26 -4.90 121.20 122.06 2vnu s ILE 550 Ca 0.37 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.98 2vnu s ILE 550 Cb 0.04 -4.64 -0.24 0.00 0.01 0.00 0.00 42.46 37.64 2vnu s ILE 550 CO 0.02 -1.18 0.93 0.78 0.00 0.00 0.00 174.94 175.49 2vnu h ASN 551 N 9.39 0.10 -4.34 3.58 2.35 -1.91 -0.43 115.58 124.33 2vnu h ASN 551 Ca -0.24 -0.15 -0.26 0.00 -0.55 0.00 0.00 56.30 55.09 2vnu h ASN 551 Cb 1.06 -0.03 -0.25 0.00 0.05 0.00 0.00 38.32 39.15 2vnu h ASN 551 CO 1.14 1.13 -0.73 1.51 -1.65 0.00 0.00 177.43 178.83 2vnu s ASP 552 N -6.55 0.50 0.05 5.81 -4.77 -1.26 -0.39 116.67 110.06 2vnu s ASP 552 Ca -0.04 -0.29 -0.04 0.00 -3.30 0.00 0.00 52.55 48.88 2vnu s ASP 552 Cb 0.08 0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.90 2vnu s ASP 552 CO 0.83 -0.10 0.05 0.00 0.70 0.00 0.00 175.17 176.65 2vnu s ALA 553 N -0.74 0.16 0.08 2.11 0.00 0.69 -4.55 121.76 119.51 2vnu s ALA 553 Ca -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2vnu s ALA 553 Cb -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2vnu s ALA 553 CO -0.00 -0.36 -0.11 -0.51 0.00 0.00 0.00 175.76 174.77 2vnu s LEU 554 N -2.55 2.33 0.04 0.00 1.43 0.12 -0.44 118.68 119.60 2vnu s LEU 554 Ca 0.01 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2vnu s LEU 554 Cb 0.03 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2vnu s LEU 554 CO -0.08 -0.18 0.05 -1.38 0.23 0.00 0.00 176.35 175.00 2vnu s HIS 555 N -1.78 0.28 -0.06 0.29 -3.43 -0.54 -1.77 115.29 108.28 2vnu s HIS 555 Ca -0.01 -0.64 -0.02 0.00 -0.80 0.00 0.00 55.06 53.58 2vnu s HIS 555 Cb -0.07 -0.20 0.04 0.00 -1.43 0.00 0.00 32.58 30.92 2vnu s HIS 555 CO 0.01 -0.36 0.12 0.00 -2.00 0.00 0.00 174.74 172.51 2vnu s ALA 556 N -2.83 -0.07 -0.07 -1.38 0.00 -1.26 -1.56 121.76 114.59 2vnu s ALA 556 Ca -0.03 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.41 2vnu s ALA 556 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2vnu s ALA 556 CO -0.06 -0.39 -0.08 0.21 0.00 0.00 0.00 175.76 175.44 2vnu s LYS 557 N 1.84 1.29 0.13 0.00 2.47 0.34 -4.58 119.74 121.24 2vnu s LYS 557 Ca -0.01 -0.24 -0.31 0.00 -1.56 0.00 0.00 55.97 53.86 2vnu s LYS 557 Cb -0.12 -1.23 -0.08 0.00 -1.46 0.00 0.00 37.83 34.94 2vnu s LYS 557 CO -0.05 -0.10 1.31 0.21 0.16 0.00 0.00 175.35 176.88 2vnu s LYS 558 N 1.09 4.38 0.62 4.03 2.36 -1.26 -0.21 119.74 130.74 2vnu s LYS 558 Ca -0.07 1.97 -0.07 0.00 -2.55 0.00 0.00 55.97 55.25 2vnu s LYS 558 Cb -0.14 -3.26 0.01 0.00 -1.05 0.00 0.00 37.83 33.39 2vnu s LYS 558 CO -0.01 -0.32 0.94 -0.51 1.55 0.00 0.00 175.35 177.00 2vnu s LEU 559 N 0.70 3.16 0.60 5.43 1.43 0.11 -4.88 118.68 125.22 2vnu s LEU 559 Ca 0.60 0.77 0.31 0.00 -1.03 0.00 0.00 54.13 54.78 2vnu s LEU 559 Cb -0.34 -3.58 1.89 0.00 0.03 0.00 0.00 46.19 44.18 2vnu s LEU 559 CO 0.32 -1.14 2.27 -0.65 0.23 0.00 0.00 176.35 177.38 2vnu h PRO 560 N -0.28 0.00 -0.27 1.29 0.11 -1.96 -2.97 132.00 127.93 2vnu h PRO 560 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vnu h PRO 560 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2vnu h PRO 560 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 2vnu n ASN 561 N -3.76 2.62 0.00 -2.05 6.94 -1.26 -4.94 115.26 112.81 2vnu n ASN 561 Ca -0.03 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2vnu n ASN 561 Cb 0.08 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2vnu n ASN 561 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vnu n GLY 562 N 1.33 3.36 3.87 4.83 0.00 -1.12 -5.07 105.19 112.40 2vnu n GLY 562 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2vnu n GLY 562 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vnu s ASN 563 N -0.50 2.79 -0.12 1.61 0.01 -1.26 -4.77 114.94 112.69 2vnu s ASN 563 Ca 0.00 0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2vnu s ASN 563 Cb 0.00 -0.44 -0.03 0.00 0.41 0.00 0.00 41.25 41.19 2vnu s ASN 563 CO 0.00 -2.94 -0.04 0.26 -1.51 0.00 0.00 177.10 172.87 2vnu s TRP 564 N -3.73 3.03 -0.28 2.20 0.52 0.98 -0.72 118.94 120.94 2vnu s TRP 564 Ca 0.73 -0.14 -0.13 0.00 0.02 0.00 0.00 56.10 56.58 2vnu s TRP 564 Cb -0.05 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2vnu s TRP 564 CO 0.53 0.13 0.26 -2.00 0.02 0.00 0.00 176.95 175.90 2vnu s GLU 565 N -0.11 3.93 -0.13 4.98 2.12 0.71 -0.73 118.70 129.46 2vnu s GLU 565 Ca 0.02 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2vnu s GLU 565 Cb -0.13 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.60 2vnu s GLU 565 CO 0.02 -0.24 -0.21 0.08 -0.54 0.00 0.00 175.26 174.38 2vnu s VAL 566 N 1.87 1.94 -0.10 3.70 1.01 -0.90 -0.50 120.40 127.42 2vnu s VAL 566 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2vnu s VAL 566 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2vnu s VAL 566 CO 0.11 0.53 -0.09 -0.83 0.00 0.00 0.00 175.10 174.81 2vnu s GLY 567 N 0.85 1.63 -0.25 4.51 0.00 -0.60 -1.16 107.32 112.30 2vnu s GLY 567 Ca -0.07 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 2vnu s GLY 567 CO -0.02 -0.43 0.06 0.14 0.00 0.00 0.00 173.10 172.86 2vnu s VAL 568 N -0.23 4.21 -0.17 1.40 1.01 0.11 -1.47 120.40 125.26 2vnu s VAL 568 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2vnu s VAL 568 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2vnu s VAL 568 CO 0.03 0.31 -0.10 -1.00 0.00 0.00 0.00 175.10 174.34 2vnu s HIS 569 N 1.59 2.87 -0.04 5.22 0.09 0.41 -0.84 115.29 124.60 2vnu s HIS 569 Ca 0.06 -0.88 0.07 0.00 -0.00 0.00 0.00 55.06 54.31 2vnu s HIS 569 Cb -0.15 -1.96 -0.01 0.00 -0.00 0.00 0.00 32.58 30.45 2vnu s HIS 569 CO 0.03 -0.42 -0.25 0.42 -0.00 0.00 0.00 174.74 174.53 2vnu s ILE 570 N 0.93 1.97 -0.09 0.60 -1.09 -0.84 -0.23 121.20 122.46 2vnu s ILE 570 Ca -0.02 -1.05 -0.41 0.00 -2.23 0.00 0.00 60.65 56.95 2vnu s ILE 570 Cb -0.15 -1.66 -0.19 0.00 -1.58 0.00 0.00 42.46 38.88 2vnu s ILE 570 CO -0.00 0.55 1.22 0.00 -1.23 0.00 0.00 174.94 175.48 2vnu n ALA 571 N 2.72 -2.82 -2.19 9.38 0.00 0.48 -0.12 120.51 127.97 2vnu n ALA 571 Ca -0.17 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2vnu n ALA 571 Cb 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2vnu n ALA 571 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vnu n ASP 572 N 2.19 4.75 0.05 0.00 2.03 -1.25 -4.58 116.55 119.74 2vnu n ASP 572 Ca 0.22 -3.03 -0.03 0.00 0.52 0.00 0.00 54.79 52.47 2vnu n ASP 572 Cb 0.07 -1.53 0.20 0.00 -0.72 0.00 0.00 41.12 39.14 2vnu n ASP 572 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2vnu h VAL 573 N 3.85 1.29 0.00 5.18 2.07 -1.92 -3.01 116.25 123.71 2vnu h VAL 573 Ca 0.44 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2vnu h VAL 573 Cb 0.64 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2vnu h VAL 573 CO 1.69 0.44 0.00 0.35 0.02 0.00 0.00 177.57 180.06 2vnu n THR 574 N -4.07 0.33 -0.20 2.57 -2.24 -1.26 -0.70 114.28 108.71 2vnu n THR 574 Ca -0.01 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2vnu n THR 574 Cb 0.45 -0.66 0.19 0.00 -2.10 0.00 0.00 70.33 68.22 2vnu n THR 574 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2vnu h HIS 575 N 0.00 0.96 0.00 4.78 6.17 -1.95 -3.34 115.15 121.78 2vnu h HIS 575 Ca 0.00 -0.03 -0.34 0.00 0.71 0.00 0.00 60.37 60.70 2vnu h HIS 575 Cb 0.45 -0.30 -0.06 0.00 2.52 0.00 0.00 27.41 30.01 2vnu h HIS 575 CO 0.00 0.70 -2.25 1.19 0.71 0.00 0.00 177.93 178.28 2vnu n PHE 576 N -4.34 0.18 -3.50 5.26 3.72 -0.66 -4.82 117.46 113.29 2vnu n PHE 576 Ca 0.07 0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 2vnu n PHE 576 Cb 0.13 -1.02 -0.08 0.00 -0.94 0.00 0.00 39.48 37.58 2vnu n PHE 576 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2vnu s VAL 577 N -2.55 4.45 0.01 -4.37 1.01 0.12 -4.93 120.40 114.14 2vnu s VAL 577 Ca -0.09 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.01 2vnu s VAL 577 Cb 0.07 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2vnu s VAL 577 CO 0.83 -0.81 0.26 -0.54 0.00 0.00 0.00 175.10 174.84 2vnu s LYS 578 N 1.29 3.56 0.67 2.72 -0.14 -1.26 -4.52 119.74 122.05 2vnu s LYS 578 Ca 0.06 -0.11 -0.17 0.00 -1.36 0.00 0.00 55.97 54.40 2vnu s LYS 578 Cb -0.26 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2vnu s LYS 578 CO -0.01 0.65 1.20 -2.14 -0.76 0.00 0.00 175.35 174.29 2vnu s PRO 579 N -1.80 2.55 0.00 -1.68 0.02 -1.26 -2.92 135.00 129.91 2vnu s PRO 579 Ca 0.28 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2vnu s PRO 579 Cb -0.13 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2vnu s PRO 579 CO 0.16 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 2vnu n GLY 580 N 0.36 0.57 3.92 0.52 0.00 -1.26 -5.01 105.19 104.30 2vnu n GLY 580 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2vnu n GLY 580 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vnu s THR 581 N -2.70 3.57 0.34 2.61 -4.23 -1.15 -4.97 115.64 109.11 2vnu s THR 581 Ca 0.00 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.54 2vnu s THR 581 Cb 0.00 -3.41 0.06 0.00 1.34 0.00 0.00 72.50 70.49 2vnu s THR 581 CO 0.00 -0.41 1.76 0.00 -0.54 0.00 0.00 174.62 175.43 2vnu h ALA 582 N -0.14 1.25 -0.27 3.99 0.00 -1.90 -1.95 119.26 120.24 2vnu h ALA 582 Ca -0.45 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 2vnu h ALA 582 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vnu h ALA 582 CO 0.60 0.55 -0.25 1.25 0.00 0.00 0.00 179.25 181.40 2vnu h LEU 583 N 0.05 0.69 -1.02 0.00 5.85 -1.85 -0.82 115.31 118.21 2vnu h LEU 583 Ca 0.00 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2vnu h LEU 583 Cb 0.77 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2vnu h LEU 583 CO 0.06 1.01 0.41 -0.78 -0.34 0.00 0.00 178.44 178.79 2vnu h ASP 584 N 0.38 0.99 -0.44 1.25 3.58 -1.73 -2.37 116.42 118.07 2vnu h ASP 584 Ca 0.05 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 2vnu h ASP 584 Cb 0.81 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2vnu h ASP 584 CO 0.06 0.81 -0.26 0.00 -2.88 0.00 0.00 179.24 176.98 2vnu h ALA 585 N 1.34 0.68 -0.21 -0.78 0.00 -1.11 0.11 119.26 119.30 2vnu h ALA 585 Ca 0.27 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2vnu h ALA 585 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2vnu h ALA 585 CO -0.04 0.67 -0.22 1.49 0.00 0.00 0.00 179.25 181.15 2vnu h GLU 586 N 0.82 0.52 -0.73 0.00 4.57 -1.14 -2.55 114.58 116.06 2vnu h GLU 586 Ca 0.10 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.03 2vnu h GLU 586 Cb 0.84 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.39 2vnu h GLU 586 CO 0.07 0.86 0.46 0.78 -1.18 0.00 0.00 179.01 180.01 2vnu h GLY 587 N 0.20 1.05 1.05 1.92 0.00 -1.37 -0.33 103.07 105.58 2vnu h GLY 587 Ca 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2vnu h GLY 587 CO 0.05 0.30 0.34 0.00 0.00 0.00 0.00 176.54 177.23 2vnu h ALA 588 N 1.31 1.06 0.19 3.60 0.00 -0.81 0.11 119.26 124.71 2vnu h ALA 588 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2vnu h ALA 588 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2vnu h ALA 588 CO -0.10 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 2vnu h ALA 589 N 1.18 -0.25 -0.97 0.00 0.00 -1.31 -3.12 119.26 114.78 2vnu h ALA 589 Ca 0.27 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2vnu h ALA 589 Cb 0.20 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2vnu h ALA 589 CO -0.02 -0.44 0.60 0.00 0.00 0.00 0.00 179.25 179.39 2vnu h ARG 590 N -0.65 0.96 0.00 0.00 3.08 -1.04 -3.46 114.38 113.27 2vnu h ARG 590 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2vnu h ARG 590 Cb 0.47 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2vnu h ARG 590 CO 0.04 0.64 0.00 0.41 -1.07 0.00 0.00 179.97 179.99 2vnu n GLY 591 N -1.34 2.16 3.52 0.04 0.00 0.39 -4.80 105.19 105.16 2vnu n GLY 591 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2vnu n GLY 591 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vnu s THR 592 N -0.26 0.00 0.39 2.61 -1.32 -1.26 -1.18 115.64 114.62 2vnu s THR 592 Ca 0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2vnu s THR 592 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2vnu s THR 592 CO 0.00 0.00 0.89 -0.44 -2.21 0.00 0.00 174.62 172.86 2vnu s SER 593 N -2.09 6.92 -0.16 8.08 0.01 0.81 -4.91 113.70 122.37 2vnu s SER 593 Ca 0.02 1.58 0.01 0.00 1.31 0.00 0.00 55.95 58.88 2vnu s SER 593 Cb -0.01 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2vnu s SER 593 CO -0.05 -0.29 -0.20 -0.69 0.41 0.00 0.00 173.24 172.42 2vnu s VAL 594 N -2.07 2.19 -0.40 3.43 1.01 -0.30 -4.99 120.40 119.26 2vnu s VAL 594 Ca 0.59 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2vnu s VAL 594 Cb -0.10 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2vnu s VAL 594 CO 0.15 0.54 0.25 -0.31 0.00 0.00 0.00 175.10 175.73 2vnu s TYR 595 N 1.01 3.28 0.62 5.22 1.51 -1.26 -0.15 117.35 127.58 2vnu s TYR 595 Ca -0.02 -1.18 -0.00 0.00 -1.01 0.00 0.00 57.07 54.86 2vnu s TYR 595 Cb -0.15 -2.72 0.07 0.00 -0.11 0.00 0.00 41.96 39.05 2vnu s TYR 595 CO -0.06 -0.75 0.87 -0.51 -1.11 0.00 0.00 175.55 173.99 2vnu s LEU 596 N 1.51 3.13 0.09 -1.29 1.02 0.19 -4.37 118.68 118.98 2vnu s LEU 596 Ca 0.02 -0.09 -0.27 0.00 0.02 0.00 0.00 54.13 53.82 2vnu s LEU 596 Cb -0.21 -2.60 -0.14 0.00 0.02 0.00 0.00 46.19 43.26 2vnu s LEU 596 CO 0.05 -1.42 1.69 0.58 0.02 0.00 0.00 176.35 177.27 2vnu h VAL 597 N -0.18 0.68 -0.45 -1.59 2.07 -1.87 -3.20 116.25 111.71 2vnu h VAL 597 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2vnu h VAL 597 Cb 1.29 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2vnu h VAL 597 CO 0.49 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.18 2vnu n ASP 598 N -5.27 3.35 -3.68 0.57 5.75 -1.26 -4.99 116.55 111.02 2vnu n ASP 598 Ca -0.09 -1.97 -0.12 0.00 -0.01 0.00 0.00 54.79 52.60 2vnu n ASP 598 Cb 0.19 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 39.90 2vnu n ASP 598 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2vnu s LYS 599 N -1.42 0.62 -0.19 0.11 2.20 -1.21 -5.06 119.74 114.79 2vnu s LYS 599 Ca 0.40 0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 56.82 2vnu s LYS 599 Cb 0.23 0.26 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 2vnu s LYS 599 CO 0.31 -0.10 -0.10 0.50 -0.36 0.00 0.00 175.35 175.60 2vnu s ARG 600 N 0.58 3.28 -0.38 4.03 3.52 -1.26 0.57 118.95 129.29 2vnu s ARG 600 Ca -0.02 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.79 2vnu s ARG 600 Cb -0.05 -2.82 0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2vnu s ARG 600 CO -0.03 -0.12 0.21 0.42 -0.81 0.00 0.00 175.30 174.97 2vnu s ILE 601 N 1.20 4.38 0.00 4.11 1.09 0.79 -4.98 121.20 127.79 2vnu s ILE 601 Ca 0.02 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.54 2vnu s ILE 601 Cb -0.14 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.75 2vnu s ILE 601 CO -0.04 -0.30 0.00 0.47 -0.10 0.00 0.00 174.94 174.97 2vnu n ASP 602 N 4.95 0.00 -0.17 3.58 8.00 -1.26 -1.15 116.55 130.50 2vnu n ASP 602 Ca -0.11 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.37 2vnu n ASP 602 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2vnu n ASP 602 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2vnu n LEU 604 N 0.00 -0.19 0.00 0.64 4.32 -1.26 -4.88 117.00 115.63 2vnu n LEU 604 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2vnu n LEU 604 Cb 0.00 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2vnu n LEU 604 CO 0.00 -0.22 0.00 -2.65 -1.22 0.00 0.00 177.39 173.30 2vnu n PRO 605 N 0.08 3.00 0.00 3.23 -0.02 -1.26 -4.70 135.00 135.33 2vnu n PRO 605 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2vnu n PRO 605 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 2vnu n PRO 605 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2vnu n LEU 607 N 0.00 0.00 0.04 2.45 7.94 -1.26 -2.41 117.00 123.76 2vnu n LEU 607 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2vnu n LEU 607 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2vnu n LEU 607 CO 0.00 0.00 0.18 -0.07 -1.11 0.00 0.00 177.39 176.39 2vnu h LEU 608 N 0.00 -0.11 -0.78 -1.96 3.38 -1.94 0.97 115.31 114.87 2vnu h LEU 608 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2vnu h LEU 608 Cb 0.00 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 2vnu h LEU 608 CO 0.00 0.01 0.29 1.23 0.09 0.00 0.00 178.44 180.06 2vnu h GLY 609 N -0.30 1.20 -0.87 0.83 0.00 -1.75 -1.31 103.07 100.87 2vnu h GLY 609 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2vnu h GLY 609 CO 0.02 -0.16 -0.03 -1.30 0.00 0.00 0.00 176.54 175.08 2vnu n THR 610 N -5.05 0.00 0.00 4.70 -2.24 -1.26 -3.86 114.28 106.57 2vnu n THR 610 Ca 0.16 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2vnu n THR 610 Cb 0.47 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 2vnu n THR 610 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2vnu n ASP 611 N 0.53 0.00 0.06 3.42 2.03 -1.07 -4.82 116.55 116.69 2vnu n ASP 611 Ca 0.06 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.31 2vnu n ASP 611 Cb 0.28 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.79 2vnu n ASP 611 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2vnu h LEU 612 N 0.00 0.39 0.00 -2.67 3.38 -0.71 -3.22 115.31 112.48 2vnu h LEU 612 Ca 0.00 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 2vnu h LEU 612 Cb 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2vnu h LEU 612 CO 0.00 0.88 -1.81 0.00 0.09 0.00 0.00 178.44 177.60 2vnu n SER 614 N -2.80 3.22 -3.51 0.00 2.88 -1.21 -4.48 113.62 107.71 2vnu n SER 614 Ca -0.17 1.12 -0.40 0.00 -1.33 0.00 0.00 58.87 58.08 2vnu n SER 614 Cb 0.93 -1.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.90 2vnu n SER 614 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2vnu n LEU 615 N 2.75 7.90 -4.75 2.46 4.77 -0.17 -4.87 117.00 125.09 2vnu n LEU 615 Ca 0.13 -4.36 -0.37 0.00 -0.03 0.00 0.00 56.01 51.38 2vnu n LEU 615 Cb 0.32 -1.57 0.04 0.00 -2.33 0.00 0.00 43.42 39.88 2vnu n LEU 615 CO 0.63 1.69 0.90 -0.54 -1.33 0.00 0.00 177.39 178.74 2vnu s LYS 616 N 2.09 2.98 0.60 3.23 1.02 -1.26 -4.83 119.74 123.57 2vnu s LYS 616 Ca 0.58 2.00 -0.14 0.00 0.02 0.00 0.00 55.97 58.43 2vnu s LYS 616 Cb 0.16 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2vnu s LYS 616 CO -0.07 -1.25 1.03 -1.25 -0.92 0.00 0.00 175.35 172.90 2vnu s PRO 617 N -3.17 3.44 -0.44 -1.68 0.04 -1.26 -3.83 135.00 128.09 2vnu s PRO 617 Ca 0.76 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2vnu s PRO 617 Cb -0.35 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2vnu s PRO 617 CO 0.39 -0.70 0.00 0.66 0.04 0.00 0.00 177.00 177.39 2vnu n TYR 618 N -2.32 -0.02 -4.52 0.56 4.02 0.12 -4.94 117.16 110.06 2vnu n TYR 618 Ca 0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.73 2vnu n TYR 618 Cb 0.54 -2.17 -0.16 0.00 -0.02 0.00 0.00 39.34 37.52 2vnu n TYR 618 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2vnu s VAL 619 N -1.28 1.00 0.15 -0.72 1.01 -1.25 -5.04 120.40 114.27 2vnu s VAL 619 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 2vnu s VAL 619 Cb 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.37 2vnu s VAL 619 CO 0.00 0.31 1.79 -1.81 0.00 0.00 0.00 175.10 175.39 2vnu s ASP 620 N 0.41 6.41 0.06 3.32 1.01 -1.26 -4.35 116.67 122.28 2vnu s ASP 620 Ca -0.08 2.79 0.06 0.00 0.71 0.00 0.00 52.55 56.02 2vnu s ASP 620 Cb -0.12 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2vnu s ASP 620 CO 0.02 -0.99 -0.16 -0.13 0.21 0.00 0.00 175.17 174.12 2vnu s ARG 621 N 2.20 0.97 0.66 8.23 1.81 -0.13 -4.49 118.95 128.21 2vnu s ARG 621 Ca 0.79 -0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 53.75 2vnu s ARG 621 Cb -0.47 -1.03 -0.00 0.00 -0.45 0.00 0.00 34.95 32.99 2vnu s ARG 621 CO 0.35 0.25 1.10 -0.06 -0.68 0.00 0.00 175.30 176.26 2vnu s PHE 622 N -1.02 2.68 0.22 -0.53 0.08 -1.26 -0.13 117.98 118.00 2vnu s PHE 622 Ca 0.02 1.54 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 2vnu s PHE 622 Cb -0.09 -3.14 0.03 0.00 -0.57 0.00 0.00 43.02 39.25 2vnu s PHE 622 CO 0.02 -1.61 0.56 0.00 -0.10 0.00 0.00 175.22 174.09 2vnu s ALA 623 N -2.39 -0.96 -0.27 5.36 0.00 -0.61 -3.96 121.76 118.94 2vnu s ALA 623 Ca 0.66 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2vnu s ALA 623 Cb -0.20 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2vnu s ALA 623 CO 0.42 -0.85 -0.01 0.12 0.00 0.00 0.00 175.76 175.43 2vnu s PHE 624 N -3.89 3.11 -0.15 0.00 5.36 0.83 -0.94 117.98 122.30 2vnu s PHE 624 Ca 0.11 -1.40 -0.05 0.00 -0.96 0.00 0.00 56.93 54.62 2vnu s PHE 624 Cb -0.02 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2vnu s PHE 624 CO -0.00 -0.69 0.02 -1.12 -1.46 0.00 0.00 175.22 171.97 2vnu s SER 625 N 1.37 5.31 -0.23 6.13 0.01 -1.26 -1.98 113.70 123.06 2vnu s SER 625 Ca 0.00 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.24 2vnu s SER 625 Cb -0.17 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 2vnu s SER 625 CO -0.02 0.23 0.08 -0.69 0.41 0.00 0.00 173.24 173.25 2vnu s VAL 626 N -0.00 4.56 -0.16 3.43 1.01 -0.02 -4.34 120.40 124.87 2vnu s VAL 626 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2vnu s VAL 626 Cb -0.13 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2vnu s VAL 626 CO 0.02 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.80 2vnu s ILE 627 N 1.19 1.17 0.16 2.22 -1.09 -0.06 -0.71 121.20 124.07 2vnu s ILE 627 Ca 0.05 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.89 2vnu s ILE 627 Cb -0.14 -1.31 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 2vnu s ILE 627 CO 0.04 0.16 0.08 0.26 -1.23 0.00 0.00 174.94 174.25 2vnu s TRP 628 N 1.61 3.04 -0.26 3.97 0.51 -0.31 -0.21 118.94 127.29 2vnu s TRP 628 Ca 0.01 -0.05 -0.12 0.00 -2.12 0.00 0.00 56.10 53.82 2vnu s TRP 628 Cb -0.15 -1.48 -0.05 0.00 -0.81 0.00 0.00 33.47 30.99 2vnu s TRP 628 CO -0.08 0.52 0.24 -2.00 -0.51 0.00 0.00 176.95 175.11 2vnu s GLU 629 N -2.94 4.01 -0.10 4.98 2.12 -0.12 -2.12 118.70 124.53 2vnu s GLU 629 Ca 0.29 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.43 2vnu s GLU 629 Cb -0.10 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2vnu s GLU 629 CO 0.21 -0.14 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.19 2vnu s LEU 630 N 1.64 2.97 1.00 2.70 1.02 0.09 -0.05 118.68 128.04 2vnu s LEU 630 Ca 0.10 -0.17 -0.18 0.00 0.02 0.00 0.00 54.13 53.90 2vnu s LEU 630 Cb -0.15 -1.66 -0.09 0.00 0.02 0.00 0.00 46.19 44.30 2vnu s LEU 630 CO 0.09 0.25 -0.55 0.47 0.02 0.00 0.00 176.35 176.63 2vnu n ASP 631 N 2.94 -4.34 0.01 2.29 9.92 -0.33 -0.01 116.55 127.04 2vnu n ASP 631 Ca -0.18 0.17 0.10 0.00 -0.53 0.00 0.00 54.79 54.35 2vnu n ASP 631 Cb 0.53 -0.85 0.42 0.00 -0.64 0.00 0.00 41.12 40.58 2vnu n ASP 631 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2vnu n ASP 632 N 1.90 0.05 -0.61 -2.24 2.03 -1.26 -1.93 116.55 114.48 2vnu n ASP 632 Ca 0.00 0.51 0.11 0.00 0.52 0.00 0.00 54.79 55.93 2vnu n ASP 632 Cb 0.59 -0.52 0.37 0.00 -0.72 0.00 0.00 41.12 40.84 2vnu n ASP 632 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2vnu n SER 633 N -1.55 1.86 -0.21 1.67 7.64 -1.26 -4.94 113.62 116.82 2vnu n SER 633 Ca 0.05 -1.72 -0.03 0.00 1.01 0.00 0.00 58.87 58.18 2vnu n SER 633 Cb 0.23 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2vnu n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vnu n ALA 634 N 0.45 -0.04 -1.82 -0.43 0.00 -0.81 -4.68 120.51 113.17 2vnu n ALA 634 Ca 0.17 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2vnu n ALA 634 Cb 0.37 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2vnu n ALA 634 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2vnu s ASN 635 N -2.26 6.93 0.03 0.00 0.01 -1.26 -4.75 114.94 113.64 2vnu s ASN 635 Ca 0.00 2.51 -0.30 0.00 -0.71 0.00 0.00 52.86 54.36 2vnu s ASN 635 Cb 0.00 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.96 2vnu s ASN 635 CO 0.00 -0.43 1.49 -0.63 -1.51 0.00 0.00 177.10 176.02 2vnu s ILE 636 N -0.84 3.47 -0.20 0.60 1.01 -1.26 -1.18 121.20 122.80 2vnu s ILE 636 Ca 0.50 0.88 -0.18 0.00 0.00 0.00 0.00 60.65 61.85 2vnu s ILE 636 Cb -0.37 -3.56 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 2vnu s ILE 636 CO 0.46 -0.00 0.02 0.52 0.00 0.00 0.00 174.94 175.94 2vnu n VAL 637 N 4.68 1.51 -3.89 2.92 0.31 0.93 -4.91 118.33 119.87 2vnu n VAL 637 Ca 0.14 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.35 2vnu n VAL 637 Cb 0.42 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.18 2vnu n VAL 637 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2vnu s ASN 638 N -6.69 0.08 0.02 4.52 2.20 -1.19 -4.97 114.94 108.91 2vnu s ASN 638 Ca -0.28 -0.72 0.03 0.00 -0.94 0.00 0.00 52.86 50.95 2vnu s ASN 638 Cb 0.06 0.38 -0.02 0.00 -2.00 0.00 0.00 41.25 39.68 2vnu s ASN 638 CO 0.49 -0.80 -0.10 0.54 -2.94 0.00 0.00 177.10 174.30 2vnu s VAL 639 N -3.90 0.74 0.02 3.54 0.11 -1.26 -0.94 120.40 118.70 2vnu s VAL 639 Ca 0.10 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2vnu s VAL 639 Cb 0.04 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2vnu s VAL 639 CO -0.07 -0.02 -0.04 0.20 -3.33 0.00 0.00 175.10 171.84 2vnu s ASN 640 N -0.83 0.42 0.29 3.54 0.01 0.70 -4.99 114.94 114.08 2vnu s ASN 640 Ca -0.01 -0.33 0.11 0.00 -0.71 0.00 0.00 52.86 51.92 2vnu s ASN 640 Cb -0.06 0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.58 2vnu s ASN 640 CO 0.00 -0.14 -0.17 -0.36 -1.51 0.00 0.00 177.10 174.92 2vnu s PHE 641 N -0.88 2.29 0.15 2.20 0.40 -1.26 -0.88 117.98 120.00 2vnu s PHE 641 Ca -0.08 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.69 2vnu s PHE 641 Cb -0.06 -1.09 -0.07 0.00 0.51 0.00 0.00 43.02 42.30 2vnu s PHE 641 CO -0.00 0.66 0.61 0.15 0.70 0.00 0.00 175.22 177.34 2vnu s LYS 643 N -3.55 4.13 0.22 0.44 -0.14 -1.26 -5.01 119.74 114.58 2vnu s LYS 643 Ca 0.30 0.68 -0.07 0.00 -1.36 0.00 0.00 55.97 55.53 2vnu s LYS 643 Cb -0.03 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 2vnu s LYS 643 CO 0.15 0.50 0.30 -1.54 -0.76 0.00 0.00 175.35 174.00 2vnu s SER 644 N -1.52 0.04 -0.10 2.83 1.04 -0.11 0.24 113.70 116.11 2vnu s SER 644 Ca 0.37 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2vnu s SER 644 Cb -0.17 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2vnu s SER 644 CO 0.20 -0.98 -0.15 -0.69 0.98 0.00 0.00 173.24 172.59 2vnu s VAL 645 N -4.09 2.89 0.27 5.02 1.01 -0.31 -1.57 120.40 123.61 2vnu s VAL 645 Ca 0.31 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2vnu s VAL 645 Cb 0.03 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2vnu s VAL 645 CO 0.10 0.55 -0.00 0.27 0.00 0.00 0.00 175.10 176.02 2vnu s ILE 646 N 0.01 1.23 -0.32 2.22 -4.36 0.81 -1.30 121.20 119.49 2vnu s ILE 646 Ca -0.05 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.28 2vnu s ILE 646 Cb -0.14 -2.48 0.12 0.00 1.25 0.00 0.00 42.46 41.21 2vnu s ILE 646 CO 0.04 -0.24 0.20 -0.60 0.24 0.00 0.00 174.94 174.58 2vnu s ARG 647 N -3.83 0.38 0.11 0.37 3.52 -1.26 -0.95 118.95 117.28 2vnu s ARG 647 Ca 0.31 -0.80 -0.36 0.00 -0.13 0.00 0.00 55.73 54.75 2vnu s ARG 647 Cb 0.06 -1.11 -0.16 0.00 -1.56 0.00 0.00 34.95 32.19 2vnu s ARG 647 CO 0.11 -1.11 1.43 0.45 -0.81 0.00 0.00 175.30 175.37 2vnu n SER 648 N 4.73 2.18 0.08 -2.12 2.88 -1.26 -4.50 113.62 115.61 2vnu n SER 648 Ca 0.03 1.11 -0.08 0.00 -1.33 0.00 0.00 58.87 58.59 2vnu n SER 648 Cb 0.41 -1.28 -0.05 0.00 -0.75 0.00 0.00 64.21 62.54 2vnu n SER 648 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2vnu h ARG 649 N 5.08 0.10 -1.84 -1.46 -0.00 -0.43 0.38 114.38 116.22 2vnu h ARG 649 Ca -0.47 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 58.88 2vnu h ARG 649 Cb 1.31 0.04 -0.23 0.00 0.00 0.00 0.00 29.97 31.09 2vnu h ARG 649 CO 0.82 0.96 0.26 -1.21 0.00 0.00 0.00 179.97 180.81 2vnu s GLU 650 N -2.98 0.70 -0.29 0.04 0.41 -1.25 -4.56 118.70 110.76 2vnu s GLU 650 Ca -0.01 0.84 -0.08 0.00 -0.41 0.00 0.00 54.97 55.31 2vnu s GLU 650 Cb 0.10 0.34 -0.00 0.00 -1.78 0.00 0.00 34.13 32.79 2vnu s GLU 650 CO 0.82 -0.08 0.10 0.00 -0.49 0.00 0.00 175.26 175.61 2vnu s ALA 651 N 0.32 3.14 0.12 5.21 0.00 -1.26 -1.79 121.76 127.51 2vnu s ALA 651 Ca 0.01 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2vnu s ALA 651 Cb -0.05 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2vnu s ALA 651 CO -0.02 -0.85 0.12 -0.06 0.00 0.00 0.00 175.76 174.95 2vnu s PHE 652 N 1.55 3.19 0.72 0.00 0.40 0.51 -4.96 117.98 119.39 2vnu s PHE 652 Ca 0.04 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 2vnu s PHE 652 Cb -0.17 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.84 2vnu s PHE 652 CO 0.04 0.52 1.06 -1.54 0.70 0.00 0.00 175.22 176.00 2vnu s SER 653 N -2.78 4.99 0.25 1.36 1.04 -1.26 -1.06 113.70 116.24 2vnu s SER 653 Ca 0.30 0.74 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 2vnu s SER 653 Cb -0.11 -1.43 0.31 0.00 0.10 0.00 0.00 66.02 64.88 2vnu s SER 653 CO 0.23 -1.54 1.90 1.88 0.98 0.00 0.00 173.24 176.68 2vnu h TYR 654 N -0.67 1.17 -0.16 5.02 -1.99 -1.57 -2.29 116.97 116.46 2vnu h TYR 654 Ca -0.45 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.15 2vnu h TYR 654 Cb 1.30 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 39.64 2vnu h TYR 654 CO 0.39 0.67 -0.51 1.49 -0.00 0.00 0.00 178.16 180.20 2vnu h GLU 655 N 1.21 0.64 -0.34 4.88 4.81 -1.94 -1.95 114.58 121.88 2vnu h GLU 655 Ca 0.38 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2vnu h GLU 655 Cb -0.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2vnu h GLU 655 CO -0.12 1.09 0.18 1.96 -0.73 0.00 0.00 179.01 181.38 2vnu h GLN 656 N 0.31 0.49 -0.48 1.92 4.20 -1.92 -1.86 115.11 117.76 2vnu h GLN 656 Ca -0.02 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.70 2vnu h GLN 656 Cb 1.14 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.76 2vnu h GLN 656 CO 0.11 0.42 0.14 0.00 -0.67 0.00 0.00 178.83 178.83 2vnu h ALA 657 N 1.04 0.57 0.09 3.87 0.00 -1.42 -0.34 119.26 123.07 2vnu h ALA 657 Ca 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2vnu h ALA 657 Cb 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2vnu h ALA 657 CO -0.02 -0.26 -0.06 0.37 0.00 0.00 0.00 179.25 179.29 2vnu h GLN 658 N 0.30 -0.14 -0.38 0.00 5.75 -1.12 -1.28 115.11 118.23 2vnu h GLN 658 Ca 0.24 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.69 2vnu h GLN 658 Cb 0.28 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2vnu h GLN 658 CO -0.27 -0.09 -0.00 -0.07 -2.65 0.00 0.00 178.83 175.75 2vnu h LEU 659 N -0.15 0.57 -0.23 -2.39 4.07 -1.15 -0.57 115.31 115.46 2vnu h LEU 659 Ca -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 2vnu h LEU 659 Cb 0.12 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 2vnu h LEU 659 CO 0.01 0.64 0.02 -0.09 -1.08 0.00 0.00 178.44 177.94 2vnu h ARG 660 N 0.57 0.40 -0.49 1.13 2.43 -0.80 -0.12 114.38 117.50 2vnu h ARG 660 Ca 0.12 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2vnu h ARG 660 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2vnu h ARG 660 CO 0.01 0.56 0.31 0.82 -1.51 0.00 0.00 179.97 180.16 2vnu h ILE 661 N 0.19 1.14 0.00 1.20 2.04 -0.99 -2.66 117.51 118.42 2vnu h ILE 661 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2vnu h ILE 661 Cb 0.36 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2vnu h ILE 661 CO 0.01 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.77 2vnu n ASP 662 N -4.72 0.01 -4.55 1.72 8.00 -0.24 -4.69 116.55 112.08 2vnu n ASP 662 Ca 0.02 0.50 -0.39 0.00 0.71 0.00 0.00 54.79 55.63 2vnu n ASP 662 Cb 0.04 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 2vnu n ASP 662 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vnu s ASP 663 N -3.03 5.95 0.61 -2.24 -1.08 -0.06 -4.86 116.67 111.96 2vnu s ASP 663 Ca 0.12 -0.50 0.38 0.00 -0.52 0.00 0.00 52.55 52.03 2vnu s ASP 663 Cb 0.16 -2.56 2.07 0.00 -1.46 0.00 0.00 42.92 41.13 2vnu s ASP 663 CO 0.45 -1.96 2.16 0.11 0.52 0.00 0.00 175.17 176.45 2vnu h LYS 664 N 11.14 0.00 0.00 4.34 1.57 -1.86 -1.10 116.57 130.67 2vnu h LYS 664 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2vnu h LYS 664 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2vnu h LYS 664 CO 1.29 0.00 -0.10 0.25 -0.57 0.00 0.00 179.45 180.32 2vnu n THR 665 N -2.90 0.56 -3.65 -0.16 -2.24 -1.26 -4.77 114.28 99.86 2vnu n THR 665 Ca -0.03 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 2vnu n THR 665 Cb 0.13 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 2vnu n THR 665 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2vnu s GLN 666 N -3.11 4.07 -0.04 -0.78 -0.21 -0.42 -4.96 119.66 114.21 2vnu s GLN 666 Ca 0.10 -0.26 0.20 0.00 0.02 0.00 0.00 55.36 55.43 2vnu s GLN 666 Cb 0.12 -3.55 0.37 0.00 1.00 0.00 0.00 33.01 30.96 2vnu s GLN 666 CO 0.62 0.05 1.16 0.09 -2.12 0.00 0.00 175.29 175.08 2vnu n ASN 667 N 4.33 1.03 -4.71 5.90 5.03 -1.26 -4.95 115.26 120.63 2vnu n ASN 667 Ca -0.15 -2.33 -0.26 0.00 0.87 0.00 0.00 54.58 52.72 2vnu n ASN 667 Cb 0.52 -0.33 0.10 0.00 -1.02 0.00 0.00 39.78 39.05 2vnu n ASN 667 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 2vnu s ASP 668 N -2.10 4.39 0.34 6.41 -4.77 -1.26 -5.00 116.67 114.68 2vnu s ASP 668 Ca 0.31 0.20 0.05 0.00 -3.30 0.00 0.00 52.55 49.81 2vnu s ASP 668 Cb 0.34 -0.68 0.62 0.00 -1.09 0.00 0.00 42.92 42.11 2vnu s ASP 668 CO -0.13 -1.86 1.88 -0.08 0.70 0.00 0.00 175.17 175.68 2vnu h GLU 669 N -0.76 0.50 -0.18 2.11 4.81 -2.03 -2.53 114.58 116.51 2vnu h GLU 669 Ca -0.42 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 2vnu h GLU 669 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2vnu h GLU 669 CO 0.51 0.54 -0.36 1.25 -0.73 0.00 0.00 179.01 180.21 2vnu h LEU 670 N 0.48 0.62 -1.52 1.64 6.46 -1.94 -2.76 115.31 118.28 2vnu h LEU 670 Ca 0.10 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2vnu h LEU 670 Cb 0.33 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2vnu h LEU 670 CO 0.01 1.06 0.00 0.41 -0.62 0.00 0.00 178.44 179.30 2vnu n THR 671 N -4.30 0.12 -0.49 1.05 -1.04 -0.95 -4.65 114.28 104.02 2vnu n THR 671 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2vnu n THR 671 Cb 0.51 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2vnu n THR 671 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2vnu n GLY 673 N 0.64 0.00 1.29 3.41 0.00 -1.05 -4.60 105.19 104.88 2vnu n GLY 673 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vnu n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vnu n ARG 675 N -0.49 0.00 -0.10 1.61 1.74 -1.26 -1.20 116.66 116.97 2vnu n ARG 675 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2vnu n ARG 675 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2vnu n ARG 675 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vnu h ALA 676 N 0.00 0.41 -0.65 7.54 0.00 -1.96 -2.26 119.26 122.35 2vnu h ALA 676 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vnu h ALA 676 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2vnu h ALA 676 CO 0.00 -0.09 0.42 -0.07 0.00 0.00 0.00 179.25 179.51 2vnu h LEU 677 N 0.42 0.76 -0.22 0.00 3.38 -1.55 -0.97 115.31 117.12 2vnu h LEU 677 Ca 0.12 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2vnu h LEU 677 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2vnu h LEU 677 CO -0.02 0.56 -0.26 0.25 0.09 0.00 0.00 178.44 179.06 2vnu h LEU 678 N 0.89 0.61 -0.18 1.67 5.85 -1.78 -1.18 115.31 121.18 2vnu h LEU 678 Ca 0.24 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2vnu h LEU 678 Cb -0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2vnu h LEU 678 CO -0.05 0.98 0.08 0.11 -0.34 0.00 0.00 178.44 179.22 2vnu h LYS 679 N 0.26 0.17 -0.66 1.25 1.57 -1.10 -1.57 116.57 116.49 2vnu h LYS 679 Ca 0.03 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2vnu h LYS 679 Cb 0.83 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2vnu h LYS 679 CO 0.06 0.11 0.24 -0.07 -0.57 0.00 0.00 179.45 179.23 2vnu h LEU 680 N 0.18 0.90 -1.09 2.94 3.38 -1.15 -2.65 115.31 117.82 2vnu h LEU 680 Ca 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2vnu h LEU 680 Cb 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2vnu h LEU 680 CO -0.06 0.82 0.29 0.77 0.09 0.00 0.00 178.44 180.35 2vnu h SER 681 N 0.96 0.85 -0.46 -0.43 4.64 -0.81 0.39 113.55 118.69 2vnu h SER 681 Ca 0.22 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2vnu h SER 681 Cb 0.21 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2vnu h SER 681 CO -0.02 0.74 0.23 0.58 -0.87 0.00 0.00 176.83 177.49 2vnu h VAL 682 N 0.93 1.18 -0.35 0.95 2.07 -0.94 -0.21 116.25 119.88 2vnu h VAL 682 Ca 0.22 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2vnu h VAL 682 Cb 0.13 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2vnu h VAL 682 CO -0.03 0.19 -0.06 0.11 0.02 0.00 0.00 177.57 177.81 2vnu h LYS 683 N 0.60 0.66 -0.51 1.57 1.57 -1.31 -1.55 116.57 117.61 2vnu h LYS 683 Ca 0.16 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2vnu h LYS 683 Cb 0.10 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2vnu h LYS 683 CO -0.02 0.81 0.18 -0.07 -0.57 0.00 0.00 179.45 179.78 2vnu h LEU 684 N 0.45 0.19 -0.27 2.94 4.07 -0.80 -1.93 115.31 119.96 2vnu h LEU 684 Ca 0.09 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.00 2vnu h LEU 684 Cb 0.56 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 2vnu h LEU 684 CO 0.03 0.13 -0.27 0.50 -1.08 0.00 0.00 178.44 177.76 2vnu h LYS 685 N 0.36 0.66 -0.68 1.13 3.64 -0.92 -1.63 116.57 119.13 2vnu h LYS 685 Ca 0.24 -0.35 0.14 0.00 -1.27 0.00 0.00 60.65 59.42 2vnu h LYS 685 Cb 0.26 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 2vnu h LYS 685 CO -0.25 0.95 0.14 0.37 -2.27 0.00 0.00 179.45 178.40 2vnu h GLN 686 N 0.39 0.25 -0.36 1.90 4.15 -1.17 -1.07 115.11 119.20 2vnu h GLN 686 Ca 0.04 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.30 2vnu h GLN 686 Cb 0.83 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2vnu h GLN 686 CO 0.07 0.16 -0.35 0.87 -1.93 0.00 0.00 178.83 177.65 2vnu h LYS 687 N 0.25 0.86 -0.47 1.69 1.57 -1.18 -1.54 116.57 117.76 2vnu h LYS 687 Ca 0.37 -0.45 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2vnu h LYS 687 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 2vnu h LYS 687 CO -0.48 1.10 0.09 0.00 -0.57 0.00 0.00 179.45 179.59 2vnu h ARG 688 N 0.66 0.22 -0.44 3.15 3.08 -0.97 -1.40 114.38 118.69 2vnu h ARG 688 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2vnu h ARG 688 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2vnu h ARG 688 CO 0.09 0.14 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.84 2vnu h LEU 689 N 0.22 0.91 -1.41 3.04 3.38 -1.03 -1.70 115.31 118.73 2vnu h LEU 689 Ca 0.23 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2vnu h LEU 689 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2vnu h LEU 689 CO -0.31 1.10 -0.09 -0.33 0.09 0.00 0.00 178.44 178.90 2vnu h GLU 690 N 0.78 0.28 0.00 1.13 5.08 -1.15 -2.53 114.58 118.16 2vnu h GLU 690 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2vnu h GLU 690 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2vnu h GLU 690 CO 0.06 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 2vnu n ALA 691 N -2.49 2.23 0.00 3.43 0.00 -0.54 -4.89 120.51 118.26 2vnu n ALA 691 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2vnu n ALA 691 Cb 0.25 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2vnu n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vnu n GLY 692 N 1.17 1.40 3.77 0.00 0.00 -0.95 -4.88 105.19 105.70 2vnu n GLY 692 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2vnu n GLY 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vnu s ALA 693 N -2.00 3.35 0.25 4.61 0.00 -0.70 -3.62 121.76 123.65 2vnu s ALA 693 Ca 0.00 1.48 -0.22 0.00 0.00 0.00 0.00 51.96 53.22 2vnu s ALA 693 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2vnu s ALA 693 CO 0.00 -1.11 0.79 -0.51 0.00 0.00 0.00 175.76 174.93 2vnu s LEU 694 N -2.48 4.36 -0.62 0.00 1.02 -0.08 -4.73 118.68 116.14 2vnu s LEU 694 Ca 0.58 1.55 0.05 0.00 0.02 0.00 0.00 54.13 56.33 2vnu s LEU 694 Cb -0.44 -3.69 0.18 0.00 0.02 0.00 0.00 46.19 42.26 2vnu s LEU 694 CO 0.58 0.01 0.49 -3.20 0.02 0.00 0.00 176.35 174.26 2vnu n ASN 695 N 0.73 2.23 -0.13 2.29 5.15 -1.26 -4.89 115.26 119.37 2vnu n ASN 695 Ca -0.01 -3.04 0.14 0.00 -0.60 0.00 0.00 54.58 51.07 2vnu n ASN 695 Cb 0.51 -0.70 0.57 0.00 -0.53 0.00 0.00 39.78 39.62 2vnu n ASN 695 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2vnu n LEU 696 N 1.99 0.56 -4.70 1.20 4.77 -1.26 -4.95 117.00 114.62 2vnu n LEU 696 Ca 0.23 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 2vnu n LEU 696 Cb 0.39 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2vnu n LEU 696 CO 0.24 0.10 1.37 0.00 -1.33 0.00 0.00 177.39 177.78 2vnu s ALA 697 N -2.50 3.75 0.25 -1.18 0.00 -1.26 -4.70 121.76 116.12 2vnu s ALA 697 Ca 0.28 1.35 0.11 0.00 0.00 0.00 0.00 51.96 53.70 2vnu s ALA 697 Cb 0.20 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2vnu s ALA 697 CO 0.49 -1.09 -0.18 -1.12 0.00 0.00 0.00 175.76 173.86 2vnu s SER 698 N 2.24 3.69 0.13 0.00 0.01 -1.26 -5.07 113.70 113.44 2vnu s SER 698 Ca 0.76 -0.92 -0.32 0.00 1.31 0.00 0.00 55.95 56.78 2vnu s SER 698 Cb -0.43 -0.37 -0.12 0.00 0.21 0.00 0.00 66.02 65.30 2vnu s SER 698 CO 0.34 0.06 1.76 -0.81 0.41 0.00 0.00 173.24 175.00 2vnu n PRO 699 N -0.37 2.59 -3.28 12.44 -0.04 -1.26 -5.01 135.00 140.07 2vnu n PRO 699 Ca -0.08 0.94 -0.21 0.00 -0.04 0.00 0.00 63.50 64.12 2vnu n PRO 699 Cb 0.59 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.28 2vnu n PRO 699 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2vnu s GLU 700 N 2.15 2.39 -0.14 0.54 -1.05 -1.26 -4.77 118.70 116.56 2vnu s GLU 700 Ca 0.81 -1.66 -0.05 0.00 -0.15 0.00 0.00 54.97 53.92 2vnu s GLU 700 Cb -0.55 -2.51 -0.04 0.00 -0.44 0.00 0.00 34.13 30.60 2vnu s GLU 700 CO 0.38 -0.65 0.03 0.54 0.95 0.00 0.00 175.26 176.51 2vnu s VAL 701 N -2.62 4.55 -0.14 1.83 0.11 -1.26 -0.70 120.40 122.16 2vnu s VAL 701 Ca 0.53 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2vnu s VAL 701 Cb -0.05 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.83 2vnu s VAL 701 CO 0.33 0.54 -0.20 -0.75 -3.33 0.00 0.00 175.10 171.69 2vnu s LYS 702 N -0.25 2.83 0.01 1.54 2.47 0.06 -4.99 119.74 121.40 2vnu s LYS 702 Ca 0.07 -0.78 -0.17 0.00 -1.56 0.00 0.00 55.97 53.53 2vnu s LYS 702 Cb -0.12 -2.35 -0.06 0.00 -1.46 0.00 0.00 37.83 33.84 2vnu s LYS 702 CO 0.02 -0.08 0.47 0.08 0.16 0.00 0.00 175.35 176.00 2vnu s VAL 703 N 0.99 4.96 0.33 4.02 1.01 -1.26 -0.28 120.40 130.17 2vnu s VAL 703 Ca -0.04 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.95 2vnu s VAL 703 Cb -0.15 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2vnu s VAL 703 CO -0.05 0.54 0.31 1.41 0.00 0.00 0.00 175.10 177.31 2vnu n HIS 704 N 2.05 -1.43 0.00 5.22 8.25 0.99 -4.97 115.22 125.32 2vnu n HIS 704 Ca -0.12 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 2vnu n HIS 704 Cb 0.52 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2vnu n HIS 704 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2vnu n ASP 706 N -2.11 0.87 -0.09 0.41 2.03 0.20 0.36 116.55 118.23 2vnu n ASP 706 Ca 0.02 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.43 2vnu n ASP 706 Cb 0.37 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.23 2vnu n ASP 706 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2vnu h SER 707 N 0.00 0.43 -2.19 1.67 0.87 -1.99 -3.43 113.55 108.91 2vnu h SER 707 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2vnu h SER 707 Cb 0.00 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.81 2vnu h SER 707 CO 0.00 0.27 -0.57 -1.61 -0.53 0.00 0.00 176.83 174.39 2vnu s GLU 708 N -5.45 2.68 0.35 2.24 8.01 -1.26 -5.02 118.70 120.24 2vnu s GLU 708 Ca -0.08 -1.20 0.27 0.00 0.01 0.00 0.00 54.97 53.97 2vnu s GLU 708 Cb 0.19 -2.41 1.00 0.00 -4.31 0.00 0.00 34.13 28.60 2vnu s GLU 708 CO 0.75 0.38 1.79 1.15 0.01 0.00 0.00 175.26 179.34 2vnu h THR 709 N 1.63 0.00 -0.05 3.63 2.02 -2.03 -3.09 112.91 115.03 2vnu h THR 709 Ca -0.47 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2vnu h THR 709 Cb 1.24 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2vnu h THR 709 CO 0.61 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 175.30 2vnu n SER 710 N -2.56 1.68 -4.47 4.18 7.64 -1.26 -4.87 113.62 113.97 2vnu n SER 710 Ca 0.02 -1.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.00 2vnu n SER 710 Cb 0.31 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 2vnu n SER 710 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2vnu s ASP 711 N -0.57 6.17 0.03 6.43 -0.00 -1.17 -5.04 116.67 122.53 2vnu s ASP 711 Ca 0.06 -0.79 -0.24 0.00 -0.00 0.00 0.00 52.55 51.58 2vnu s ASP 711 Cb 0.03 -2.21 -0.05 0.00 -0.00 0.00 0.00 42.92 40.69 2vnu s ASP 711 CO 0.05 -0.57 0.71 -2.16 -0.00 0.00 0.00 175.17 173.20 2vnu s PRO 712 N 2.02 4.44 -0.23 8.23 0.04 -1.26 0.62 135.00 148.86 2vnu s PRO 712 Ca 0.10 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 2vnu s PRO 712 Cb -0.18 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 2vnu s PRO 712 CO 0.12 0.31 -0.32 -1.71 0.04 0.00 0.00 177.00 175.44 2vnu n ASN 713 N 2.78 1.79 -3.90 6.66 5.15 0.16 -4.71 115.26 123.18 2vnu n ASN 713 Ca -0.04 0.31 -0.09 0.00 -0.60 0.00 0.00 54.58 54.16 2vnu n ASN 713 Cb 0.50 -0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 38.94 2vnu n ASN 713 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2vnu s GLU 714 N -2.55 0.66 -0.18 1.20 1.03 -1.11 -4.98 118.70 112.77 2vnu s GLU 714 Ca -0.33 -0.78 -0.05 0.00 0.03 0.00 0.00 54.97 53.84 2vnu s GLU 714 Cb 0.11 0.26 -0.03 0.00 -0.80 0.00 0.00 34.13 33.67 2vnu s GLU 714 CO 0.43 -0.18 -0.01 0.08 -1.33 0.00 0.00 175.26 174.25 2vnu s VAL 715 N -2.89 4.02 -0.19 1.83 1.01 -1.26 -0.01 120.40 122.92 2vnu s VAL 715 Ca -0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2vnu s VAL 715 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2vnu s VAL 715 CO -0.06 0.46 0.02 -0.70 0.00 0.00 0.00 175.10 174.82 2vnu s GLU 716 N 0.65 3.74 -0.22 2.72 2.12 0.61 -4.98 118.70 123.34 2vnu s GLU 716 Ca -0.01 -0.46 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 2vnu s GLU 716 Cb -0.14 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2vnu s GLU 716 CO 0.02 0.12 0.56 0.42 -0.54 0.00 0.00 175.26 175.84 2vnu s ILE 717 N 0.75 5.06 -0.07 -3.70 -1.09 -1.26 -0.76 121.20 120.12 2vnu s ILE 717 Ca 0.01 1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 2vnu s ILE 717 Cb -0.14 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 2vnu s ILE 717 CO 0.02 0.12 1.11 -0.54 -1.23 0.00 0.00 174.94 174.42 2vnu s LYS 718 N 1.99 4.39 0.03 2.79 1.02 0.12 -4.96 119.74 125.11 2vnu s LYS 718 Ca 0.25 1.55 -0.29 0.00 0.02 0.00 0.00 55.97 57.50 2vnu s LYS 718 Cb -0.16 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 2vnu s LYS 718 CO 0.09 -0.38 0.93 -1.59 -0.92 0.00 0.00 175.35 173.48 2vnu s LYS 719 N 2.09 4.58 0.06 1.68 0.00 -1.26 -4.37 119.74 122.52 2vnu s LYS 719 Ca 0.53 1.35 -0.30 0.00 0.00 0.00 0.00 55.97 57.54 2vnu s LYS 719 Cb -0.22 -3.43 -0.05 0.00 0.00 0.00 0.00 37.83 34.13 2vnu s LYS 719 CO 0.20 0.06 1.09 -0.51 0.00 0.00 0.00 175.35 176.20 2vnu s LEU 720 N 0.63 4.39 0.27 2.77 2.01 -1.26 -5.05 118.68 122.44 2vnu s LEU 720 Ca 0.48 1.89 0.07 0.00 0.01 0.00 0.00 54.13 56.58 2vnu s LEU 720 Cb -0.21 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.38 2vnu s LEU 720 CO 0.27 -0.34 0.26 -0.76 1.01 0.00 0.00 176.35 176.79 2vnu s LEU 721 N 0.80 3.85 0.40 1.79 1.43 -1.26 -5.04 118.68 120.65 2vnu s LEU 721 Ca 0.54 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 2vnu s LEU 721 Cb -0.26 -2.41 0.84 0.00 0.03 0.00 0.00 46.19 44.38 2vnu s LEU 721 CO 0.30 -0.14 2.02 0.00 0.23 0.00 0.00 176.35 178.76 2vnu h ALA 722 N 1.36 1.65 0.00 4.21 0.00 -1.96 -2.02 119.26 122.50 2vnu h ALA 722 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2vnu h ALA 722 Cb 1.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2vnu h ALA 722 CO 0.60 0.29 -0.03 1.79 0.00 0.00 0.00 179.25 181.90 2vnu h THR 723 N 0.48 0.33 -0.56 0.00 1.35 -1.96 -0.41 112.91 112.14 2vnu h THR 723 Ca 0.12 -0.16 -0.09 0.00 -0.55 0.00 0.00 66.41 65.74 2vnu h THR 723 Cb 0.04 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 2vnu h THR 723 CO -0.02 0.03 0.01 0.78 -0.25 0.00 0.00 175.52 176.07 2vnu h ASN 724 N 0.00 0.92 0.99 5.36 2.35 -1.71 -2.64 115.58 120.86 2vnu h ASN 724 Ca -0.00 -0.24 -0.21 0.00 -0.55 0.00 0.00 56.30 55.30 2vnu h ASN 724 Cb 0.11 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2vnu h ASN 724 CO 0.00 0.98 -1.02 -1.28 -1.65 0.00 0.00 177.43 174.46 2vnu h SER 725 N 0.88 0.00 -0.36 5.81 0.87 -1.40 -2.74 113.55 116.62 2vnu h SER 725 Ca 0.16 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2vnu h SER 725 Cb 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2vnu h SER 725 CO 0.02 0.96 0.17 0.25 -0.53 0.00 0.00 176.83 177.70 2vnu h LEU 726 N 0.00 0.24 -0.13 2.23 5.85 -1.02 -1.93 115.31 120.55 2vnu h LEU 726 Ca -0.03 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2vnu h LEU 726 Cb 1.76 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2vnu h LEU 726 CO 0.12 0.18 -0.14 0.58 -0.34 0.00 0.00 178.44 178.83 2vnu h VAL 727 N 0.35 1.36 -0.56 1.05 2.07 -1.53 -3.22 116.25 115.77 2vnu h VAL 727 Ca 0.15 -1.33 0.08 0.00 0.82 0.00 0.00 66.70 66.42 2vnu h VAL 727 Cb 0.07 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2vnu h VAL 727 CO -0.12 0.39 0.22 -0.08 0.02 0.00 0.00 177.57 178.00 2vnu h GLU 728 N -0.08 0.41 -0.68 1.57 4.81 -1.46 -2.71 114.58 116.44 2vnu h GLU 728 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2vnu h GLU 728 Cb 0.68 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2vnu h GLU 728 CO 0.03 0.27 0.38 0.93 -0.73 0.00 0.00 179.01 179.89 2vnu h GLU 729 N 0.42 0.93 -1.52 1.92 4.39 -1.41 0.51 114.58 119.82 2vnu h GLU 729 Ca 0.27 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 2vnu h GLU 729 Cb 0.29 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2vnu h GLU 729 CO -0.26 0.68 0.07 1.19 -1.16 0.00 0.00 179.01 179.53 2vnu n PHE 730 N -4.38 0.28 0.00 4.33 3.01 -1.02 -1.03 117.46 118.65 2vnu n PHE 730 Ca 0.07 -0.94 0.00 0.00 1.01 0.00 0.00 57.45 57.59 2vnu n PHE 730 Cb 0.09 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2vnu n PHE 730 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2vnu n LEU 732 N 0.89 0.00 -0.16 4.37 4.32 0.17 -0.49 117.00 126.10 2vnu n LEU 732 Ca 0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.00 2vnu n LEU 732 Cb 0.55 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.40 2vnu n LEU 732 CO 0.06 0.00 1.00 0.25 -1.22 0.00 0.00 177.39 177.49 2vnu h LEU 733 N 0.00 0.32 -0.28 2.23 5.85 -1.32 -1.21 115.31 120.90 2vnu h LEU 733 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2vnu h LEU 733 Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2vnu h LEU 733 CO 0.00 0.22 0.13 0.00 -0.34 0.00 0.00 178.44 178.45 2vnu h ALA 734 N 1.27 0.33 -0.64 1.25 0.00 -1.05 -2.07 119.26 118.35 2vnu h ALA 734 Ca 0.22 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2vnu h ALA 734 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vnu h ALA 734 CO -0.17 -0.26 0.10 -0.91 0.00 0.00 0.00 179.25 178.01 2vnu h ASN 735 N 0.28 1.02 -0.32 0.00 2.35 -1.75 -2.38 115.58 114.77 2vnu h ASN 735 Ca 0.11 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2vnu h ASN 735 Cb 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2vnu h ASN 735 CO -0.09 1.02 -0.07 0.40 -1.65 0.00 0.00 177.43 177.05 2vnu h ILE 736 N 0.98 1.28 -0.59 2.81 2.04 -1.22 -2.35 117.51 120.46 2vnu h ILE 736 Ca 0.19 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2vnu h ILE 736 Cb 0.44 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2vnu h ILE 736 CO 0.01 0.36 0.24 0.28 0.00 0.00 0.00 178.15 179.04 2vnu h SER 737 N 0.39 0.77 0.28 1.72 0.02 -1.30 -2.67 113.55 112.77 2vnu h SER 737 Ca 0.08 -0.10 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 2vnu h SER 737 Cb 0.56 -0.20 0.04 0.00 0.14 0.00 0.00 62.40 62.94 2vnu h SER 737 CO 0.03 0.69 -1.48 -0.37 -1.14 0.00 0.00 176.83 174.56 2vnu h VAL 738 N 0.84 1.28 -0.87 2.27 -1.51 -1.44 -2.76 116.25 114.07 2vnu h VAL 738 Ca 0.20 -2.72 0.17 0.00 -1.23 0.00 0.00 66.70 63.12 2vnu h VAL 738 Cb 0.16 3.04 -0.10 0.00 -2.13 0.00 0.00 31.29 32.25 2vnu h VAL 738 CO -0.02 0.82 0.43 0.00 -1.23 0.00 0.00 177.57 177.56 2vnu h ALA 739 N 0.17 1.33 -0.33 5.19 0.00 -1.42 0.26 119.26 124.46 2vnu h ALA 739 Ca -0.25 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2vnu h ALA 739 Cb 2.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 2vnu h ALA 739 CO 0.27 -0.17 -0.24 0.00 0.00 0.00 0.00 179.25 179.11 2vnu h ARG 740 N 0.56 0.65 -0.07 0.00 3.08 -1.52 -2.03 114.38 115.05 2vnu h ARG 740 Ca 0.49 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 2vnu h ARG 740 Cb 0.78 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2vnu h ARG 740 CO -0.41 0.84 -0.20 -0.22 -1.07 0.00 0.00 179.97 178.90 2vnu h LYS 741 N 0.57 0.26 0.00 0.04 1.63 -0.94 -2.51 116.57 115.62 2vnu h LYS 741 Ca 0.08 -0.19 -0.17 0.00 -0.85 0.00 0.00 60.65 59.52 2vnu h LYS 741 Cb 0.72 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2vnu h LYS 741 CO 0.06 0.81 -0.81 -0.84 -3.45 0.00 0.00 179.45 175.21 2vnu h ILE 742 N -0.24 1.57 -0.05 2.00 3.07 -0.58 -1.41 117.51 121.88 2vnu h ILE 742 Ca -0.01 -2.76 -0.10 0.00 1.55 0.00 0.00 64.86 63.54 2vnu h ILE 742 Cb 0.82 2.49 -0.01 0.00 -0.27 0.00 0.00 36.82 39.85 2vnu h ILE 742 CO 0.04 0.79 -0.44 0.22 -1.05 0.00 0.00 178.15 177.71 2vnu h TYR 743 N 0.01 0.14 0.03 0.16 3.20 -1.47 0.15 116.97 119.18 2vnu h TYR 743 Ca -0.01 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2vnu h TYR 743 Cb 1.44 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.68 2vnu h TYR 743 CO 0.00 0.54 -0.01 0.22 -1.64 0.00 0.00 178.16 177.27 2vnu h ASP 744 N 0.10 -0.03 0.17 -2.11 1.82 -0.97 -2.68 116.42 112.72 2vnu h ASP 744 Ca 0.01 -0.20 -0.16 0.00 -0.39 0.00 0.00 57.03 56.29 2vnu h ASP 744 Cb 0.82 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2vnu h ASP 744 CO 0.06 0.18 -0.58 0.00 -1.61 0.00 0.00 179.24 177.30 2vnu h ALA 745 N 0.73 0.75 -2.07 -0.78 0.00 -1.16 -3.39 119.26 113.34 2vnu h ALA 745 Ca -0.00 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 2vnu h ALA 745 Cb 0.23 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.54 2vnu h ALA 745 CO 0.01 0.70 -0.94 1.19 0.00 0.00 0.00 179.25 180.21 2vnu n PHE 746 N -3.92 0.89 0.23 0.00 3.01 0.52 -4.97 117.46 113.22 2vnu n PHE 746 Ca -0.03 -3.75 0.14 0.00 1.01 0.00 0.00 57.45 54.83 2vnu n PHE 746 Cb 0.61 -0.41 0.77 0.00 -0.01 0.00 0.00 39.48 40.45 2vnu n PHE 746 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2vnu h PRO 747 N 4.10 0.00 0.00 -1.08 0.13 -1.68 -2.00 132.00 131.46 2vnu h PRO 747 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 2vnu h PRO 747 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 2vnu h PRO 747 CO 0.58 0.00 -2.09 1.04 -0.23 0.00 0.00 178.00 177.30 2vnu n GLN 748 N -2.52 0.67 -0.31 0.86 6.02 -1.26 -3.97 117.38 116.87 2vnu n GLN 748 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.00 2vnu n GLN 748 Cb 0.10 -1.59 0.03 0.00 1.02 0.00 0.00 30.24 29.80 2vnu n GLN 748 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2vnu n THR 749 N -2.67 0.47 0.00 5.09 -2.24 -0.86 -1.12 114.28 112.94 2vnu n THR 749 Ca -0.21 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2vnu n THR 749 Cb 0.96 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2vnu n THR 749 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vnu n ALA 750 N -0.35 0.00 0.00 6.98 0.00 -0.81 -4.63 120.51 121.70 2vnu n ALA 750 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2vnu n ALA 750 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2vnu n ALA 750 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2vnu n LEU 752 N 0.00 0.00 -3.68 0.00 4.77 -0.11 -0.58 117.00 117.40 2vnu n LEU 752 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2vnu n LEU 752 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2vnu n LEU 752 CO 0.00 0.00 -0.31 -0.60 -1.33 0.00 0.00 177.39 175.15 2vnu s ARG 753 N -1.97 -0.04 0.38 3.23 3.52 0.01 -1.01 118.95 123.08 2vnu s ARG 753 Ca 0.00 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.09 2vnu s ARG 753 Cb 0.00 -0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2vnu s ARG 753 CO 0.00 -0.30 0.19 -0.98 -0.81 0.00 0.00 175.30 173.40 2vnu s ARG 754 N 2.05 2.33 -0.21 5.12 1.70 -0.37 -4.03 118.95 125.53 2vnu s ARG 754 Ca 0.02 -1.68 -0.04 0.00 -0.47 0.00 0.00 55.73 53.56 2vnu s ARG 754 Cb -0.12 -2.12 0.11 0.00 -0.57 0.00 0.00 34.95 32.25 2vnu s ARG 754 CO -0.04 -0.03 0.36 -1.58 -1.08 0.00 0.00 175.30 172.93 2vnu s HIS 755 N -2.51 -0.72 0.65 5.89 2.46 -0.54 -1.05 115.29 119.47 2vnu s HIS 755 Ca 0.41 0.98 -0.15 0.00 0.47 0.00 0.00 55.06 56.77 2vnu s HIS 755 Cb 0.00 0.06 -0.00 0.00 -0.13 0.00 0.00 32.58 32.50 2vnu s HIS 755 CO 0.23 -0.60 1.10 0.00 -2.47 0.00 0.00 174.74 173.00 2vnu s ALA 756 N 2.53 2.51 0.46 1.58 0.00 -1.26 -1.30 121.76 126.28 2vnu s ALA 756 Ca 0.07 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 2vnu s ALA 756 Cb -0.14 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2vnu s ALA 756 CO -0.14 -1.21 1.17 0.00 0.00 0.00 0.00 175.76 175.59 2vnu s ALA 757 N -2.39 2.99 0.21 0.00 0.00 -1.26 -4.71 121.76 116.59 2vnu s ALA 757 Ca 0.66 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 2vnu s ALA 757 Cb -0.20 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 2vnu s ALA 757 CO 0.41 -0.67 1.05 -1.25 0.00 0.00 0.00 175.76 175.30 2vnu s PRO 758 N -2.66 4.68 0.80 0.00 0.04 -1.26 -5.03 135.00 131.57 2vnu s PRO 758 Ca 0.63 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 2vnu s PRO 758 Cb -0.29 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.05 2vnu s PRO 758 CO 0.36 0.22 1.20 -2.30 0.04 0.00 0.00 177.00 176.52 2vnu n PRO 759 N 1.96 0.23 0.27 0.56 -0.02 -1.26 -4.88 135.00 131.86 2vnu n PRO 759 Ca 0.01 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2vnu n PRO 759 Cb 0.46 -2.44 0.78 0.00 -0.02 0.00 0.00 33.50 32.28 2vnu n PRO 759 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vnu h SER 760 N -0.84 0.00 0.28 2.55 4.64 -1.96 -1.46 113.55 116.76 2vnu h SER 760 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 2vnu h SER 760 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2vnu h SER 760 CO 0.46 0.05 -0.20 0.00 -0.87 0.00 0.00 176.83 176.27 2vnu h THR 761 N 0.00 0.97 0.00 2.95 1.03 -1.90 -1.38 112.91 114.59 2vnu h THR 761 Ca -0.00 -0.72 -0.03 0.00 -0.01 0.00 0.00 66.41 65.65 2vnu h THR 761 Cb 0.11 1.41 -0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2vnu h THR 761 CO 0.01 0.19 -0.12 0.78 -0.01 0.00 0.00 175.52 176.37 2vnu h ASN 762 N 0.00 0.00 -0.32 0.00 4.21 -1.59 -3.03 115.58 114.85 2vnu h ASN 762 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2vnu h ASN 762 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 2vnu h ASN 762 CO 0.03 0.12 0.00 0.49 -1.29 0.00 0.00 177.43 176.78 2vnu n PHE 763 N -4.25 0.64 -0.04 1.19 3.01 -0.57 -4.71 117.46 112.74 2vnu n PHE 763 Ca -0.03 -0.63 -0.12 0.00 1.01 0.00 0.00 57.45 57.68 2vnu n PHE 763 Cb 0.20 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 2vnu n PHE 763 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2vnu h GLU 764 N 1.98 0.20 -0.00 -1.08 4.81 -1.29 -1.69 114.58 117.50 2vnu h GLU 764 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2vnu h GLU 764 Cb 0.99 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2vnu h GLU 764 CO 0.08 0.48 -0.02 0.82 -0.73 0.00 0.00 179.01 179.64 2vnu h ILE 765 N -0.09 1.50 -0.94 2.32 1.08 -1.84 -2.44 117.51 117.09 2vnu h ILE 765 Ca 0.03 -1.48 0.07 0.00 -0.39 0.00 0.00 64.86 63.09 2vnu h ILE 765 Cb 0.39 2.49 -0.07 0.00 -3.07 0.00 0.00 36.82 36.57 2vnu h ILE 765 CO 0.01 0.39 0.59 0.25 -0.69 0.00 0.00 178.15 178.70 2vnu h LEU 766 N -0.60 0.94 -1.31 1.44 5.85 -1.87 -0.81 115.31 118.95 2vnu h LEU 766 Ca -0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2vnu h LEU 766 Cb 0.64 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2vnu h LEU 766 CO 0.00 0.59 -0.31 0.78 -0.34 0.00 0.00 178.44 179.16 2vnu h ASN 767 N 1.07 0.05 0.00 1.25 2.35 -1.31 -0.68 115.58 118.31 2vnu h ASN 767 Ca 0.41 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2vnu h ASN 767 Cb 0.20 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2vnu h ASN 767 CO -0.18 0.37 0.00 -0.62 -1.65 0.00 0.00 177.43 175.34 2vnu n GLU 768 N -4.15 0.78 0.00 0.81 1.02 -0.31 -1.41 120.64 117.38 2vnu n GLU 768 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2vnu n GLU 768 Cb 0.37 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2vnu n GLU 768 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2vnu n LEU 770 N 0.51 0.00 0.13 -4.62 4.77 -0.26 -1.58 117.00 115.96 2vnu n LEU 770 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2vnu n LEU 770 Cb 0.36 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 2vnu n LEU 770 CO 0.00 0.00 0.48 -1.13 -1.33 0.00 0.00 177.39 175.41 2vnu h ASN 771 N 0.00 -0.32 -0.32 -1.43 -0.73 -1.49 -0.00 115.58 111.28 2vnu h ASN 771 Ca 0.00 -0.21 -0.09 0.00 1.87 0.00 0.00 56.30 57.87 2vnu h ASN 771 Cb 0.00 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2vnu h ASN 771 CO 0.00 0.10 -0.11 0.00 -0.37 0.00 0.00 177.43 177.05 2vnu h THR 772 N -0.82 1.26 0.00 -3.57 1.03 -1.55 -2.28 112.91 106.97 2vnu h THR 772 Ca -0.04 -1.16 -0.32 0.00 -0.01 0.00 0.00 66.41 64.89 2vnu h THR 772 Cb 0.51 1.06 -0.06 0.00 -1.07 0.00 0.00 68.15 68.59 2vnu h THR 772 CO 0.06 0.39 -2.00 0.54 -0.01 0.00 0.00 175.52 174.51 2vnu n ARG 773 N -4.17 0.66 0.00 0.00 5.12 -1.26 -4.67 116.66 112.35 2vnu n ARG 773 Ca 0.01 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2vnu n ARG 773 Cb 0.36 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2vnu n ARG 773 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2vnu n LYS 774 N -2.89 3.41 -3.11 5.56 4.76 -0.68 -5.05 118.16 120.15 2vnu n LYS 774 Ca -0.23 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.17 2vnu n LYS 774 Cb 1.08 -0.57 0.01 0.00 -1.84 0.00 0.00 35.03 33.71 2vnu n LYS 774 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2vnu n ASN 775 N -0.83 -7.54 0.00 4.39 5.03 -0.10 -4.96 115.26 111.25 2vnu n ASN 775 Ca 0.00 -0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2vnu n ASN 775 Cb 0.00 -5.21 0.00 0.00 -1.02 0.00 0.00 39.78 33.55 2vnu n ASN 775 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2vnu n SER 777 N -2.03 0.00 -4.59 6.41 3.41 -1.26 -4.95 113.62 110.61 2vnu n SER 777 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 2vnu n SER 777 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 2vnu n SER 777 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vnu s ILE 778 N -2.00 4.87 0.05 -1.33 1.01 -1.26 -4.72 121.20 117.82 2vnu s ILE 778 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 2vnu s ILE 778 Cb 0.00 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 2vnu s ILE 778 CO 0.00 0.38 0.72 -0.55 0.00 0.00 0.00 174.94 175.49 2vnu s SER 779 N 0.99 7.17 -0.23 3.58 0.15 -1.26 -4.98 113.70 119.13 2vnu s SER 779 Ca 0.05 1.40 0.13 0.00 0.70 0.00 0.00 55.95 58.24 2vnu s SER 779 Cb -0.14 -2.45 0.49 0.00 -1.71 0.00 0.00 66.02 62.22 2vnu s SER 779 CO 0.03 0.06 1.41 0.18 1.20 0.00 0.00 173.24 176.12 2vnu n LEU 780 N 2.63 3.79 -0.21 3.45 4.77 -1.26 -2.34 117.00 127.83 2vnu n LEU 780 Ca -0.04 -3.40 -0.01 0.00 -0.03 0.00 0.00 56.01 52.54 2vnu n LEU 780 Cb 0.50 -0.57 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2vnu n LEU 780 CO 0.46 0.97 1.03 -0.08 -1.33 0.00 0.00 177.39 178.43 2vnu h GLU 781 N 1.20 0.49 -3.18 3.23 4.81 -1.93 -3.46 114.58 115.74 2vnu h GLU 781 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2vnu h GLU 781 Cb 1.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2vnu h GLU 781 CO 0.27 0.32 0.20 -1.54 -0.73 0.00 0.00 179.01 177.53 2vnu s SER 782 N -5.46 0.14 0.29 1.04 1.04 -1.26 -5.01 113.70 104.48 2vnu s SER 782 Ca -0.13 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.20 2vnu s SER 782 Cb 0.16 0.82 0.43 0.00 0.10 0.00 0.00 66.02 67.54 2vnu s SER 782 CO 0.75 -1.62 1.67 0.77 0.98 0.00 0.00 173.24 175.80 2vnu h SER 783 N 2.02 0.16 -0.35 7.02 4.64 -1.89 -0.97 113.55 124.17 2vnu h SER 783 Ca -0.31 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 2vnu h SER 783 Cb 1.25 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2vnu h SER 783 CO 0.40 0.63 -0.02 0.50 -0.87 0.00 0.00 176.83 177.47 2vnu h LYS 784 N 0.12 0.63 -0.63 4.77 3.64 -1.90 0.89 116.57 124.09 2vnu h LYS 784 Ca 0.00 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2vnu h LYS 784 Cb 0.91 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 2vnu h LYS 784 CO 0.07 0.76 0.30 0.00 -2.27 0.00 0.00 179.45 178.31 2vnu h ALA 785 N 0.85 0.82 -0.15 5.00 0.00 -1.85 0.92 119.26 124.84 2vnu h ALA 785 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2vnu h ALA 785 Cb 0.48 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2vnu h ALA 785 CO 0.02 0.39 -0.12 1.25 0.00 0.00 0.00 179.25 180.79 2vnu h LEU 786 N 0.87 -0.38 -0.37 0.00 5.85 -0.77 -1.28 115.31 119.23 2vnu h LEU 786 Ca 0.22 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2vnu h LEU 786 Cb 0.13 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2vnu h LEU 786 CO -0.03 -0.16 0.11 0.00 -0.34 0.00 0.00 178.44 178.03 2vnu h ALA 787 N 0.99 0.49 -0.38 1.25 0.00 -0.61 -2.10 119.26 118.90 2vnu h ALA 787 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2vnu h ALA 787 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vnu h ALA 787 CO -0.23 0.15 -0.08 -0.44 0.00 0.00 0.00 179.25 178.65 2vnu h ASP 788 N 0.46 0.73 -0.11 0.00 3.32 -0.78 -1.51 116.42 118.53 2vnu h ASP 788 Ca 0.12 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 2vnu h ASP 788 Cb 0.27 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2vnu h ASP 788 CO -0.00 0.91 -0.29 0.77 -1.72 0.00 0.00 179.24 178.91 2vnu h SER 789 N 0.53 0.59 -0.04 6.45 4.64 -1.27 -2.11 113.55 122.34 2vnu h SER 789 Ca 0.10 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2vnu h SER 789 Cb 0.59 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2vnu h SER 789 CO 0.03 0.85 0.02 0.25 -0.87 0.00 0.00 176.83 177.12 2vnu h LEU 790 N 0.50 0.05 -1.50 5.97 5.85 -1.30 -2.30 115.31 122.58 2vnu h LEU 790 Ca 0.06 -0.09 0.25 0.00 0.84 0.00 0.00 57.88 58.94 2vnu h LEU 790 Cb 0.75 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 2vnu h LEU 790 CO 0.06 0.13 0.65 0.44 -0.34 0.00 0.00 178.44 179.39 2vnu h ASP 791 N -0.03 0.38 0.17 1.25 3.32 -1.07 -1.54 116.42 118.90 2vnu h ASP 791 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2vnu h ASP 791 Cb 0.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2vnu h ASP 791 CO -0.00 0.11 -0.14 0.54 -1.72 0.00 0.00 179.24 178.03 2vnu n ARG 792 N -4.53 1.08 -2.40 3.56 1.74 -0.81 -4.65 116.66 110.65 2vnu n ARG 792 Ca 0.23 -0.58 -0.38 0.00 -0.77 0.00 0.00 57.85 56.35 2vnu n ARG 792 Cb 0.83 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 2vnu n ARG 792 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vnu s VAL 794 N 6.57 1.72 -0.29 0.00 1.01 -1.26 -3.96 120.40 124.18 2vnu s VAL 794 Ca 0.58 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2vnu s VAL 794 Cb 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2vnu s VAL 794 CO 0.09 0.49 0.07 -0.62 0.00 0.00 0.00 175.10 175.12 2vnu s ASP 795 N -0.03 5.07 0.21 3.32 -1.08 -1.26 -5.02 116.67 117.88 2vnu s ASP 795 Ca -0.04 -0.75 -0.09 0.00 -0.52 0.00 0.00 52.55 51.15 2vnu s ASP 795 Cb -0.13 -1.86 0.27 0.00 -1.46 0.00 0.00 42.92 39.74 2vnu s ASP 795 CO 0.03 -0.19 1.77 1.55 0.52 0.00 0.00 175.17 178.85 2vnu h PRO 796 N 8.21 0.51 -1.36 4.34 0.13 -2.00 -2.45 132.00 139.39 2vnu h PRO 796 Ca -0.31 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.25 2vnu h PRO 796 Cb 1.12 -0.12 -0.22 0.00 0.13 0.00 0.00 31.00 31.91 2vnu h PRO 796 CO 0.60 0.34 0.68 0.39 -0.23 0.00 0.00 178.00 179.78 2vnu n GLU 797 N -4.90 2.33 0.00 0.86 4.71 -1.26 -4.59 120.64 117.79 2vnu n GLU 797 Ca 0.09 -2.58 0.00 0.00 -0.01 0.00 0.00 57.16 54.66 2vnu n GLU 797 Cb 0.23 -2.02 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 2vnu n GLU 797 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2vnu n ASP 798 N -0.26 0.00 0.27 1.62 -0.08 -0.92 -5.06 116.55 112.12 2vnu n ASP 798 Ca 0.49 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.88 2vnu n ASP 798 Cb 0.58 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.79 2vnu n ASP 798 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2vnu h PRO 799 N 0.00 0.00 0.00 -0.67 0.11 -1.81 -2.81 132.00 126.82 2vnu h PRO 799 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2vnu h PRO 799 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2vnu h PRO 799 CO 0.00 0.05 -0.27 -0.92 -0.21 0.00 0.00 178.00 176.64 2vnu h TYR 800 N 0.00 0.00 -0.76 0.65 3.20 -1.97 -3.24 116.97 114.85 2vnu h TYR 800 Ca -0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 2vnu h TYR 800 Cb 0.10 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.27 2vnu h TYR 800 CO 0.00 0.27 0.28 0.35 -1.64 0.00 0.00 178.16 177.42 2vnu h PHE 801 N 0.00 0.46 -0.54 -3.82 3.57 -1.84 0.14 116.94 114.92 2vnu h PHE 801 Ca -0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2vnu h PHE 801 Cb 0.58 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2vnu h PHE 801 CO 0.00 0.01 0.36 -0.97 -2.23 0.00 0.00 178.31 175.49 2vnu h ASN 802 N 0.39 0.42 0.38 0.41 -0.73 -1.68 -1.65 115.58 113.12 2vnu h ASN 802 Ca 0.43 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.35 2vnu h ASN 802 Cb 0.69 -0.09 0.01 0.00 0.27 0.00 0.00 38.32 39.20 2vnu h ASN 802 CO -0.44 0.27 -1.06 0.74 -0.37 0.00 0.00 177.43 176.57 2vnu h THR 803 N 0.48 1.41 -0.24 -3.57 2.02 -0.96 -2.29 112.91 109.75 2vnu h THR 803 Ca 0.24 -2.60 0.06 0.00 0.77 0.00 0.00 66.41 64.88 2vnu h THR 803 Cb 0.32 2.58 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 2vnu h THR 803 CO -0.07 0.77 -0.12 0.25 0.37 0.00 0.00 175.52 176.73 2vnu h LEU 804 N 0.20 -0.40 -0.72 2.58 6.46 -0.31 -0.77 115.31 122.35 2vnu h LEU 804 Ca -0.11 0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 2vnu h LEU 804 Cb 1.72 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 2vnu h LEU 804 CO 0.18 -0.15 -0.28 0.58 -0.62 0.00 0.00 178.44 178.15 2vnu h VAL 805 N -0.09 1.28 -0.47 1.05 2.07 -1.38 -3.02 116.25 115.69 2vnu h VAL 805 Ca 0.13 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2vnu h VAL 805 Cb 0.29 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2vnu h VAL 805 CO -0.30 0.45 0.23 -0.09 0.02 0.00 0.00 177.57 177.88 2vnu h ARG 806 N 0.58 0.68 -1.35 1.57 2.43 -1.16 -0.07 114.38 117.06 2vnu h ARG 806 Ca 0.07 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2vnu h ARG 806 Cb 0.78 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2vnu h ARG 806 CO 0.06 0.57 0.00 0.44 -1.51 0.00 0.00 179.97 179.54 2vnu n ILE 807 N -4.63 0.24 0.00 1.20 -6.64 -0.32 -2.28 119.36 106.93 2vnu n ILE 807 Ca 0.01 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.99 2vnu n ILE 807 Cb 0.12 -0.54 0.00 0.00 -1.44 0.00 0.00 39.64 37.78 2vnu n ILE 807 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2vnu n SER 809 N 0.72 0.00 -0.30 7.28 7.64 -0.04 -3.41 113.62 125.51 2vnu n SER 809 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2vnu n SER 809 Cb 0.14 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 63.74 2vnu n SER 809 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2vnu h THR 810 N 0.00 0.74 0.00 0.44 2.02 -1.72 -0.66 112.91 113.72 2vnu h THR 810 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2vnu h THR 810 Cb 0.00 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2vnu h THR 810 CO 0.00 0.12 0.00 0.54 0.37 0.00 0.00 175.52 176.55 2vnu n ARG 811 N -4.61 0.14 -2.39 6.66 1.74 -1.22 -5.11 116.66 111.87 2vnu n ARG 811 Ca 0.20 0.26 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 2vnu n ARG 811 Cb 0.59 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2vnu n ARG 811 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vnu s ALA 815 N -1.29 2.39 0.52 0.00 0.00 -1.26 -4.80 121.76 117.31 2vnu s ALA 815 Ca 0.42 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 2vnu s ALA 815 Cb 0.13 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2vnu s ALA 815 CO -0.02 0.04 1.30 0.00 0.00 0.00 0.00 175.76 177.07 2vnu s ALA 816 N 0.71 2.88 -0.05 0.00 0.00 -1.26 -4.53 121.76 119.50 2vnu s ALA 816 Ca -0.08 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2vnu s ALA 816 Cb -0.16 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2vnu s ALA 816 CO 0.01 -1.14 0.11 -1.14 0.00 0.00 0.00 175.76 173.60 2vnu s GLN 817 N -2.83 0.04 0.61 0.00 0.74 -0.21 -4.99 119.66 113.02 2vnu s GLN 817 Ca 0.69 0.34 -0.19 0.00 0.05 0.00 0.00 55.36 56.24 2vnu s GLN 817 Cb -0.37 -0.23 -0.03 0.00 1.10 0.00 0.00 33.01 33.49 2vnu s GLN 817 CO 0.44 -0.19 1.28 0.71 -0.55 0.00 0.00 175.29 176.98 2vnu s TYR 818 N 1.31 2.20 0.11 1.67 1.51 -1.26 -1.24 117.35 121.65 2vnu s TYR 818 Ca -0.07 1.47 -0.25 0.00 -1.01 0.00 0.00 57.07 57.21 2vnu s TYR 818 Cb -0.12 -3.66 0.07 0.00 -0.11 0.00 0.00 41.96 38.15 2vnu s TYR 818 CO -0.05 -2.73 0.65 -0.59 -1.11 0.00 0.00 175.55 171.72 2vnu s PHE 819 N -1.43 -0.53 -0.07 2.71 -0.71 -0.18 -4.90 117.98 112.88 2vnu s PHE 819 Ca 0.79 0.43 -0.12 0.00 -1.04 0.00 0.00 56.93 56.99 2vnu s PHE 819 Cb -0.36 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 2vnu s PHE 819 CO 0.39 -0.78 0.30 1.52 -1.34 0.00 0.00 175.22 175.31 2vnu s TYR 820 N -3.30 3.64 0.47 3.49 1.13 -1.26 -0.93 117.35 120.58 2vnu s TYR 820 Ca -0.00 0.76 0.30 0.00 -1.41 0.00 0.00 57.07 56.72 2vnu s TYR 820 Cb -0.01 -2.18 1.37 0.00 -1.10 0.00 0.00 41.96 40.05 2vnu s TYR 820 CO -0.09 0.60 1.74 0.66 -2.51 0.00 0.00 175.55 175.94 2vnu h SER 821 N 5.17 0.22 0.67 -0.18 4.64 -1.03 -0.45 113.55 122.58 2vnu h SER 821 Ca -0.51 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2vnu h SER 821 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2vnu h SER 821 CO 0.63 -0.01 0.00 1.23 -0.87 0.00 0.00 176.83 177.81 2vnu h GLY 822 N 0.16 0.00 2.00 -0.77 0.00 -1.25 -3.21 103.07 100.00 2vnu h GLY 822 Ca 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.89 2vnu h GLY 822 CO -0.20 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 175.84 2vnu h ALA 823 N 2.11 0.87 -2.09 3.60 0.00 -1.33 -3.47 119.26 118.96 2vnu h ALA 823 Ca 0.00 -0.45 -0.44 0.00 0.00 0.00 0.00 54.91 54.02 2vnu h ALA 823 Cb 0.33 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 2vnu h ALA 823 CO 0.00 0.62 -0.59 0.71 0.00 0.00 0.00 179.25 179.98 2vnu s TYR 824 N -3.41 1.78 0.28 0.00 1.51 -1.21 -5.11 117.35 111.19 2vnu s TYR 824 Ca 0.01 -1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 54.95 2vnu s TYR 824 Cb 0.11 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2vnu s TYR 824 CO 0.72 -0.17 0.49 -1.54 -1.11 0.00 0.00 175.55 173.94 2vnu s SER 825 N -3.44 6.37 0.29 2.29 1.04 -1.26 -4.98 113.70 114.01 2vnu s SER 825 Ca 0.35 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.30 2vnu s SER 825 Cb 0.07 -2.05 0.71 0.00 0.10 0.00 0.00 66.02 64.85 2vnu s SER 825 CO 0.15 -0.17 1.61 0.22 0.98 0.00 0.00 173.24 176.02 2vnu h TYR 826 N 1.47 0.14 0.00 5.02 3.20 -1.99 0.74 116.97 125.55 2vnu h TYR 826 Ca -0.49 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2vnu h TYR 826 Cb 1.20 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 2vnu h TYR 826 CO 0.54 -0.32 -0.00 -1.35 -1.64 0.00 0.00 178.16 175.39 2vnu h PRO 827 N 0.10 0.00 -0.26 1.82 0.11 -1.95 -1.35 132.00 130.46 2vnu h PRO 827 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 2vnu h PRO 827 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vnu h PRO 827 CO -0.77 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 176.77 2vnu n ASP 828 N -3.09 1.97 0.08 -2.05 8.00 0.25 -3.46 116.55 118.26 2vnu n ASP 828 Ca -0.02 -1.83 0.13 0.00 0.71 0.00 0.00 54.79 53.78 2vnu n ASP 828 Cb 0.13 -0.17 0.41 0.00 -0.02 0.00 0.00 41.12 41.47 2vnu n ASP 828 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2vnu n PHE 829 N 0.54 0.70 -1.57 1.24 3.01 -0.51 -4.87 117.46 116.00 2vnu n PHE 829 Ca 0.15 0.20 -0.60 0.00 1.01 0.00 0.00 57.45 58.22 2vnu n PHE 829 Cb 0.36 -0.81 -0.08 0.00 -0.01 0.00 0.00 39.48 38.93 2vnu n PHE 829 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2vnu n ARG 830 N -2.09 0.23 -3.39 -1.08 0.00 -1.21 -4.38 116.66 104.73 2vnu n ARG 830 Ca 0.06 0.08 -0.44 0.00 -0.00 0.00 0.00 57.85 57.54 2vnu n ARG 830 Cb 0.41 -1.61 -0.08 0.00 0.00 0.00 0.00 32.46 31.18 2vnu n ARG 830 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2vnu s HIS 831 N 0.84 3.24 0.05 -0.14 5.65 -0.17 -1.47 115.29 123.29 2vnu s HIS 831 Ca 0.93 -0.88 -0.28 0.00 0.25 0.00 0.00 55.06 55.09 2vnu s HIS 831 Cb -1.26 -3.11 -0.17 0.00 -1.18 0.00 0.00 32.58 26.86 2vnu s HIS 831 CO 0.61 -0.78 1.50 -0.92 -0.65 0.00 0.00 174.74 174.50 2vnu h TYR 832 N 8.74 -0.48 -0.95 3.88 3.20 -1.47 0.97 116.97 130.87 2vnu h TYR 832 Ca -0.28 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.66 2vnu h TYR 832 Cb 1.11 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 2vnu h TYR 832 CO 0.63 -0.22 0.59 0.78 -1.64 0.00 0.00 178.16 178.30 2vnu h GLY 833 N -0.65 1.47 0.46 1.82 0.00 -1.88 -1.79 103.07 102.50 2vnu h GLY 833 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2vnu h GLY 833 CO 0.09 0.25 -0.55 1.04 0.00 0.00 0.00 176.54 177.37 2vnu n LEU 834 N -4.59 0.84 -3.91 3.11 4.77 -1.21 -0.90 117.00 115.11 2vnu n LEU 834 Ca 0.15 -0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 2vnu n LEU 834 Cb 0.23 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2vnu n LEU 834 CO 0.30 0.19 0.04 0.00 -1.33 0.00 0.00 177.39 176.59 2vnu n ALA 835 N -1.20 -1.45 -2.44 -1.18 0.00 0.31 -4.47 120.51 110.08 2vnu n ALA 835 Ca 0.07 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 2vnu n ALA 835 Cb 0.35 -3.76 -0.11 0.00 0.00 0.00 0.00 19.45 15.93 2vnu n ALA 835 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2vnu s VAL 836 N -3.41 2.25 -0.13 0.00 -7.23 -1.04 -4.84 120.40 106.01 2vnu s VAL 836 Ca 0.52 -2.07 0.22 0.00 -1.81 0.00 0.00 61.98 58.84 2vnu s VAL 836 Cb -0.26 -2.09 0.24 0.00 0.56 0.00 0.00 36.38 34.83 2vnu s VAL 836 CO 0.84 -0.21 1.67 -2.24 -0.31 0.00 0.00 175.10 174.86 2vnu h ASP 837 N 3.06 0.00 -3.74 4.85 3.04 -1.90 -0.44 116.42 121.30 2vnu h ASP 837 Ca -0.44 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.29 2vnu h ASP 837 Cb 1.22 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 39.28 2vnu h ASP 837 CO 0.51 0.21 -0.02 -0.51 -2.04 0.00 0.00 179.24 177.38 2vnu s ILE 838 N -3.32 -0.00 0.11 4.15 2.07 -1.26 -3.34 121.20 119.61 2vnu s ILE 838 Ca 0.04 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.17 2vnu s ILE 838 Cb 0.08 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.82 2vnu s ILE 838 CO 0.66 0.00 0.27 -0.47 -1.91 0.00 0.00 174.94 173.50 2vnu s TYR 839 N 0.63 0.08 0.32 3.50 6.14 -1.26 -4.78 117.35 121.99 2vnu s TYR 839 Ca -0.02 -0.47 -0.16 0.00 0.64 0.00 0.00 57.07 57.05 2vnu s TYR 839 Cb -0.05 0.04 0.03 0.00 0.42 0.00 0.00 41.96 42.40 2vnu s TYR 839 CO -0.04 -0.62 0.68 -0.08 0.64 0.00 0.00 175.55 176.13 2vnu s THR 840 N -3.86 0.00 -0.26 4.34 -1.32 -1.25 -0.81 115.64 112.48 2vnu s THR 840 Ca 0.06 -1.13 -0.05 0.00 -1.21 0.00 0.00 61.69 59.36 2vnu s THR 840 Cb 0.04 -2.41 -0.00 0.00 -1.51 0.00 0.00 72.50 68.61 2vnu s THR 840 CO -0.09 0.00 0.02 -1.00 -2.21 0.00 0.00 174.62 171.34 2vnu s HIS 841 N -3.28 3.07 0.00 9.09 3.76 -1.26 -4.73 115.29 121.94 2vnu s HIS 841 Ca 0.16 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2vnu s HIS 841 Cb -0.04 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.46 2vnu s HIS 841 CO 0.10 -0.55 0.00 0.34 -0.85 0.00 0.00 174.74 173.78 2vnu n PHE 842 N 4.83 0.00 1.53 1.40 7.35 -1.26 -3.35 117.46 127.96 2vnu n PHE 842 Ca -0.16 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.68 2vnu n PHE 842 Cb 0.49 0.00 0.79 0.00 0.35 0.00 0.00 39.48 41.12 2vnu n PHE 842 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2vnu n THR 843 N -1.54 0.01 -2.86 -2.13 -2.24 -1.26 -4.14 114.28 100.12 2vnu n THR 843 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2vnu n THR 843 Cb 0.31 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 2vnu n THR 843 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2vnu n SER 844 N -1.22 1.64 0.21 3.42 7.64 -1.26 -4.56 113.62 119.48 2vnu n SER 844 Ca 0.16 -2.95 0.15 0.00 1.01 0.00 0.00 58.87 57.24 2vnu n SER 844 Cb 0.21 -0.56 0.70 0.00 -1.01 0.00 0.00 64.21 63.55 2vnu n SER 844 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2vnu h PRO 845 N 2.97 0.00 -0.10 1.43 0.13 -1.77 -1.67 132.00 132.99 2vnu h PRO 845 Ca 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 2vnu h PRO 845 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2vnu h PRO 845 CO 0.54 0.00 -0.56 0.82 -0.23 0.00 0.00 178.00 178.58 2vnu h ILE 846 N 0.00 1.36 -0.00 -3.56 2.04 -1.92 -3.37 117.51 112.06 2vnu h ILE 846 Ca 0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 2vnu h ILE 846 Cb 0.22 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2vnu h ILE 846 CO 0.00 0.55 -0.04 -2.11 0.00 0.00 0.00 178.15 176.55 2vnu n ARG 847 N -3.92 1.43 -3.77 2.37 1.85 -0.79 -4.46 116.66 109.38 2vnu n ARG 847 Ca -0.02 -0.49 -0.14 0.00 -1.00 0.00 0.00 57.85 56.20 2vnu n ARG 847 Cb 0.59 -0.94 -0.14 0.00 -1.05 0.00 0.00 32.46 30.91 2vnu n ARG 847 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2vnu s ARG 848 N -0.59 0.08 0.22 2.89 0.52 -0.70 -0.13 118.95 121.23 2vnu s ARG 848 Ca 0.03 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2vnu s ARG 848 Cb 0.03 -0.14 0.19 0.00 0.52 0.00 0.00 34.95 35.54 2vnu s ARG 848 CO 0.07 -0.13 1.53 -0.92 0.02 0.00 0.00 175.30 175.87 2vnu h TYR 849 N 6.97 0.47 -0.97 -0.53 3.20 -1.45 -3.03 116.97 121.65 2vnu h TYR 849 Ca -0.39 -0.18 0.29 0.00 3.14 0.00 0.00 58.73 61.59 2vnu h TYR 849 Cb 1.15 -0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.19 2vnu h TYR 849 CO 0.44 0.87 0.48 0.00 -1.64 0.00 0.00 178.16 178.30 2vnu h ASP 851 N 0.32 0.00 -0.01 0.00 5.19 -1.53 -1.51 116.42 118.88 2vnu h ASP 851 Ca 0.67 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 57.08 2vnu h ASP 851 Cb 1.47 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.98 2vnu h ASP 851 CO -0.61 0.55 0.01 0.58 -3.12 0.00 0.00 179.24 176.65 2vnu h VAL 852 N 0.00 1.05 -0.35 -1.35 2.07 -1.39 -1.36 116.25 114.92 2vnu h VAL 852 Ca -0.01 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2vnu h VAL 852 Cb 1.11 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2vnu h VAL 852 CO 0.07 0.04 0.17 0.58 0.02 0.00 0.00 177.57 178.45 2vnu h VAL 853 N -0.04 1.16 -0.80 2.57 2.07 -1.29 -1.90 116.25 118.02 2vnu h VAL 853 Ca 0.00 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2vnu h VAL 853 Cb 0.05 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2vnu h VAL 853 CO -0.00 0.17 0.53 0.00 0.02 0.00 0.00 177.57 178.29 2vnu h ALA 854 N 1.02 1.03 -0.49 1.67 0.00 -1.29 -0.88 119.26 120.32 2vnu h ALA 854 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2vnu h ALA 854 Cb 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2vnu h ALA 854 CO -0.02 0.41 0.23 0.45 0.00 0.00 0.00 179.25 180.32 2vnu h HIS 855 N 1.07 0.42 -0.52 0.00 3.86 -1.05 0.18 115.15 119.11 2vnu h HIS 855 Ca 0.30 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.45 2vnu h HIS 855 Cb -0.10 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2vnu h HIS 855 CO -0.02 0.19 -0.00 0.00 0.86 0.00 0.00 177.93 178.96 2vnu h ARG 856 N 0.45 0.88 -0.07 2.45 3.08 -0.72 -1.16 114.38 119.28 2vnu h ARG 856 Ca 0.22 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2vnu h ARG 856 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2vnu h ARG 856 CO -0.17 0.88 -0.46 1.96 -1.07 0.00 0.00 179.97 181.11 2vnu h GLN 857 N 0.82 0.17 -0.06 0.04 4.20 -0.82 0.55 115.11 120.02 2vnu h GLN 857 Ca 0.15 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2vnu h GLN 857 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2vnu h GLN 857 CO 0.02 0.61 -0.34 1.25 -0.67 0.00 0.00 178.83 179.70 2vnu h LEU 858 N 0.14 0.39 -1.66 1.46 5.85 -0.80 0.18 115.31 120.88 2vnu h LEU 858 Ca 0.01 -0.67 0.05 0.00 0.84 0.00 0.00 57.88 58.11 2vnu h LEU 858 Cb 0.88 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2vnu h LEU 858 CO 0.07 1.00 0.32 0.00 -0.34 0.00 0.00 178.44 179.49 2vnu h ALA 859 N 0.40 1.91 -0.08 1.25 0.00 -1.12 -0.57 119.26 121.05 2vnu h ALA 859 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vnu h ALA 859 Cb 1.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2vnu h ALA 859 CO 0.07 0.01 0.00 0.78 0.00 0.00 0.00 179.25 180.11 2vnu h GLY 860 N 0.42 0.16 0.75 0.00 0.00 -0.76 -1.56 103.07 102.08 2vnu h GLY 860 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.48 2vnu h GLY 860 CO -0.05 0.10 0.58 0.00 0.00 0.00 0.00 176.54 177.18 2vnu h ALA 861 N 0.74 1.26 -0.01 3.60 0.00 0.14 -2.76 119.26 122.23 2vnu h ALA 861 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vnu h ALA 861 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2vnu h ALA 861 CO 0.00 0.37 -0.02 0.44 0.00 0.00 0.00 179.25 180.04 2vnu n ILE 862 N -4.56 0.00 -1.04 0.00 -5.35 -0.29 -4.92 119.36 103.19 2vnu n ILE 862 Ca 0.13 -0.21 -0.01 0.00 -0.27 0.00 0.00 62.75 62.39 2vnu n ILE 862 Cb 0.16 0.36 -0.01 0.00 -1.74 0.00 0.00 39.64 38.42 2vnu n ILE 862 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vnu n GLY 863 N 1.17 0.50 0.20 3.28 0.00 -1.04 -4.94 105.19 104.36 2vnu n GLY 863 Ca 0.19 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 2vnu n GLY 863 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2vnu h TYR 864 N 0.00 0.84 -3.48 1.61 5.03 -1.54 -3.47 116.97 115.96 2vnu h TYR 864 Ca -0.03 -0.32 -0.11 0.00 2.58 0.00 0.00 58.73 60.86 2vnu h TYR 864 Cb 0.11 -0.15 -0.17 0.00 1.55 0.00 0.00 36.73 38.06 2vnu h TYR 864 CO 0.05 1.09 -0.35 -2.00 -1.32 0.00 0.00 178.16 175.63 2vnu s GLU 865 N -3.99 0.72 0.37 1.82 2.12 -1.01 -5.00 118.70 113.72 2vnu s GLU 865 Ca -0.12 -0.58 -0.27 0.00 0.36 0.00 0.00 54.97 54.36 2vnu s GLU 865 Cb 0.08 0.30 -0.09 0.00 0.26 0.00 0.00 34.13 34.68 2vnu s GLU 865 CO 0.84 -0.22 1.20 -2.14 -0.54 0.00 0.00 175.26 174.41 2vnu s PRO 866 N -2.52 4.20 0.07 4.30 0.02 -1.26 -3.64 135.00 136.16 2vnu s PRO 866 Ca -0.05 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 62.61 2vnu s PRO 866 Cb -0.01 -2.85 -0.06 0.00 0.02 0.00 0.00 34.50 31.59 2vnu s PRO 866 CO -0.03 -0.23 1.29 -1.17 -0.33 0.00 0.00 177.00 176.52 2vnu s LEU 867 N -2.17 4.36 0.22 -5.54 2.96 -1.26 -4.85 118.68 112.40 2vnu s LEU 867 Ca 0.53 2.12 -0.31 0.00 -0.22 0.00 0.00 54.13 56.25 2vnu s LEU 867 Cb -0.34 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.63 2vnu s LEU 867 CO 0.43 -0.57 1.28 -0.24 -1.32 0.00 0.00 176.35 175.94 2vnu n SER 868 N 4.16 2.11 0.29 3.68 2.88 -1.26 -4.85 113.62 120.64 2vnu n SER 868 Ca 0.10 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 58.97 2vnu n SER 868 Cb 0.45 -1.34 0.81 0.00 -0.75 0.00 0.00 64.21 63.38 2vnu n SER 868 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2vnu h LEU 869 N 3.67 0.00 -0.76 2.46 3.38 -1.98 -0.60 115.31 121.48 2vnu h LEU 869 Ca -0.44 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.68 2vnu h LEU 869 Cb 1.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 2vnu h LEU 869 CO 0.72 0.03 0.27 0.74 0.09 0.00 0.00 178.44 180.29 2vnu h THR 870 N 0.00 0.60 -0.39 0.22 2.02 -1.94 -1.82 112.91 111.60 2vnu h THR 870 Ca -0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2vnu h THR 870 Cb 0.38 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2vnu h THR 870 CO 0.00 0.07 0.04 1.41 0.37 0.00 0.00 175.52 177.41 2vnu n HIS 871 N -5.06 1.39 -0.27 3.16 8.25 -0.23 -3.38 115.22 119.08 2vnu n HIS 871 Ca 0.15 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2vnu n HIS 871 Cb 0.45 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2vnu n HIS 871 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2vnu n ARG 872 N 0.32 1.15 -3.43 -0.41 1.74 -0.74 -4.80 116.66 110.49 2vnu n ARG 872 Ca 0.19 -0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 2vnu n ARG 872 Cb 0.89 -0.60 -0.09 0.00 -1.02 0.00 0.00 32.46 31.64 2vnu n ARG 872 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2vnu s ASP 873 N -0.22 6.19 0.21 0.55 -1.08 -0.88 -4.95 116.67 116.50 2vnu s ASP 873 Ca 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 52.55 52.09 2vnu s ASP 873 Cb 0.00 -2.19 0.18 0.00 -1.46 0.00 0.00 42.92 39.44 2vnu s ASP 873 CO 0.00 -0.20 1.68 0.11 0.52 0.00 0.00 175.17 177.28 2vnu h LYS 874 N 8.28 0.93 -0.66 4.34 1.57 -1.92 -3.08 116.57 126.03 2vnu h LYS 874 Ca -0.32 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.10 2vnu h LYS 874 Cb 1.16 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2vnu h LYS 874 CO 0.64 0.95 0.17 -0.91 -0.57 0.00 0.00 179.45 179.73 2vnu h ASN 875 N 0.85 0.99 0.00 0.86 2.35 -1.95 0.66 115.58 119.35 2vnu h ASN 875 Ca 0.15 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2vnu h ASN 875 Cb 0.56 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2vnu h ASN 875 CO 0.03 0.96 0.00 0.29 -1.65 0.00 0.00 177.43 177.06 2vnu n LYS 876 N -4.30 0.48 -0.93 0.81 5.02 -1.16 -4.73 118.16 113.35 2vnu n LYS 876 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2vnu n LYS 876 Cb 0.24 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2vnu n LYS 876 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2vnu n ASP 878 N 0.53 -0.22 0.00 4.39 2.03 0.22 -4.70 116.55 118.79 2vnu n ASP 878 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2vnu n ASP 878 Cb 0.19 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 2vnu n ASP 878 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2vnu n ILE 880 N -0.80 0.00 -0.15 5.18 5.41 -1.26 -2.50 119.36 125.24 2vnu n ILE 880 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 2vnu n ILE 880 Cb 0.11 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.03 2vnu n ILE 880 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2vnu h ARG 882 N 0.69 -0.16 -0.04 0.00 2.43 -1.84 -1.14 114.38 114.31 2vnu h ARG 882 Ca 0.11 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2vnu h ARG 882 Cb 0.68 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2vnu h ARG 882 CO 0.05 -0.11 0.03 -0.97 -1.51 0.00 0.00 179.97 177.46 2vnu h ASN 883 N -0.17 0.05 0.91 -3.80 -1.24 -1.80 -2.77 115.58 106.76 2vnu h ASN 883 Ca 0.07 -0.04 -0.08 0.00 0.71 0.00 0.00 56.30 56.97 2vnu h ASN 883 Cb 0.26 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2vnu h ASN 883 CO -0.17 0.07 -0.36 0.16 -1.29 0.00 0.00 177.43 175.85 2vnu h ILE 884 N 0.03 0.83 -0.15 2.57 3.07 -1.08 0.92 117.51 123.69 2vnu h ILE 884 Ca 0.02 -1.50 -0.07 0.00 1.55 0.00 0.00 64.86 64.85 2vnu h ILE 884 Cb 0.03 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 2vnu h ILE 884 CO -0.00 0.35 -0.24 0.78 -1.05 0.00 0.00 178.15 177.99 2vnu h ASN 885 N 0.00 0.26 0.04 2.16 2.35 -1.22 -0.05 115.58 119.12 2vnu h ASN 885 Ca -0.00 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.49 2vnu h ASN 885 Cb 0.91 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 39.23 2vnu h ASN 885 CO 0.05 0.51 -0.74 -0.09 -1.65 0.00 0.00 177.43 175.50 2vnu h ARG 886 N 0.24 0.42 -0.51 0.81 2.43 -0.98 -2.57 114.38 114.23 2vnu h ARG 886 Ca 0.04 -0.51 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 2vnu h ARG 886 Cb 0.55 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2vnu h ARG 886 CO 0.04 1.18 -0.11 0.87 -1.51 0.00 0.00 179.97 180.43 2vnu h LYS 887 N -0.10 0.95 0.10 0.20 1.79 -0.88 -1.52 116.57 117.10 2vnu h LYS 887 Ca -0.10 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2vnu h LYS 887 Cb 1.47 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 2vnu h LYS 887 CO 0.14 1.01 -0.09 1.25 -1.08 0.00 0.00 179.45 180.68 2vnu h HIS 888 N 0.85 -0.22 0.23 -1.35 2.76 -1.08 -1.65 115.15 114.68 2vnu h HIS 888 Ca 0.13 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2vnu h HIS 888 Cb 0.66 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 2vnu h HIS 888 CO 0.04 -0.13 -0.12 -0.09 -1.30 0.00 0.00 177.93 176.33 2vnu h ARG 889 N -0.20 -0.31 -0.99 5.26 2.43 -1.43 -1.95 114.38 117.19 2vnu h ARG 889 Ca 0.00 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 2vnu h ARG 889 Cb 0.18 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.71 2vnu h ARG 889 CO -0.02 -0.21 0.61 -0.91 -1.51 0.00 0.00 179.97 177.94 2vnu h ASN 890 N -0.32 0.85 -0.56 -3.80 2.35 -1.25 -0.91 115.58 111.94 2vnu h ASN 890 Ca -0.03 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 2vnu h ASN 890 Cb 0.26 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2vnu h ASN 890 CO 0.04 0.40 -0.02 0.00 -1.65 0.00 0.00 177.43 176.21 2vnu h ALA 891 N 1.57 0.87 -0.47 -0.83 0.00 -1.16 -0.30 119.26 118.95 2vnu h ALA 891 Ca 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vnu h ALA 891 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2vnu h ALA 891 CO -0.31 0.66 0.24 1.96 0.00 0.00 0.00 179.25 181.80 2vnu h GLN 892 N 0.93 0.66 -0.42 0.00 4.20 -0.48 -0.83 115.11 119.17 2vnu h GLN 892 Ca 0.16 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2vnu h GLN 892 Cb 0.56 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2vnu h GLN 892 CO 0.03 0.54 0.21 0.74 -0.67 0.00 0.00 178.83 179.67 2vnu h PHE 893 N 0.61 0.61 -0.39 2.96 0.04 -1.04 -1.97 116.94 117.76 2vnu h PHE 893 Ca 0.16 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 2vnu h PHE 893 Cb 0.08 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2vnu h PHE 893 CO -0.02 0.49 -0.18 0.00 -0.60 0.00 0.00 178.31 178.01 2vnu h ALA 894 N 1.05 0.54 -0.14 2.45 0.00 -0.98 -1.86 119.26 120.31 2vnu h ALA 894 Ca 0.15 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2vnu h ALA 894 Cb 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2vnu h ALA 894 CO -0.02 0.48 -0.35 0.78 0.00 0.00 0.00 179.25 180.14 2vnu h GLY 895 N 0.60 -0.51 1.32 0.00 0.00 -1.07 -1.81 103.07 101.59 2vnu h GLY 895 Ca 0.09 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 2vnu h GLY 895 CO 0.05 -0.22 0.25 3.21 0.00 0.00 0.00 176.54 179.84 2vnu h ARG 896 N -0.42 0.88 0.00 4.80 3.08 -1.20 -2.71 114.38 118.81 2vnu h ARG 896 Ca 0.09 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2vnu h ARG 896 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2vnu h ARG 896 CO -0.38 0.71 -0.72 0.00 -1.07 0.00 0.00 179.97 178.52 2vnu h ALA 897 N 1.41 0.59 -0.02 0.04 0.00 -1.17 -0.81 119.26 119.31 2vnu h ALA 897 Ca 0.21 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2vnu h ALA 897 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2vnu h ALA 897 CO -0.02 0.90 0.00 1.03 0.00 0.00 0.00 179.25 181.16 2vnu h SER 898 N 0.00 0.02 -0.10 0.00 0.87 -1.21 -1.96 113.55 111.17 2vnu h SER 898 Ca -0.01 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2vnu h SER 898 Cb 1.48 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.40 2vnu h SER 898 CO 0.09 0.23 -0.09 0.40 -0.53 0.00 0.00 176.83 176.93 2vnu h ILE 899 N -0.18 0.74 -0.82 2.23 2.04 -1.43 -1.42 117.51 118.67 2vnu h ILE 899 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2vnu h ILE 899 Cb 0.21 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 2vnu h ILE 899 CO -0.00 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.29 2vnu h GLU 900 N -0.11 0.77 0.07 2.37 5.08 -1.20 0.13 114.58 121.70 2vnu h GLU 900 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2vnu h GLU 900 Cb 0.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2vnu h GLU 900 CO -0.17 0.51 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.40 2vnu h TYR 901 N 0.79 -0.09 -0.35 4.33 3.20 -1.10 -0.70 116.97 123.06 2vnu h TYR 901 Ca 0.39 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.12 2vnu h TYR 901 Cb 0.35 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2vnu h TYR 901 CO -0.06 0.06 -0.32 1.88 -1.64 0.00 0.00 178.16 178.08 2vnu h TYR 902 N -0.22 1.00 -0.71 -3.82 -1.99 -0.95 -2.68 116.97 107.61 2vnu h TYR 902 Ca -0.01 -0.29 -0.04 0.00 2.00 0.00 0.00 58.73 60.39 2vnu h TYR 902 Cb 0.18 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 2vnu h TYR 902 CO -0.03 1.08 0.30 0.28 -0.00 0.00 0.00 178.16 179.79 2vnu h VAL 903 N 0.63 1.24 -0.80 -2.88 2.07 -0.80 -1.54 116.25 114.19 2vnu h VAL 903 Ca 0.06 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2vnu h VAL 903 Cb 0.90 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2vnu h VAL 903 CO 0.08 0.30 0.52 1.23 0.02 0.00 0.00 177.57 179.73 2vnu h GLY 904 N 1.01 1.12 1.85 2.17 0.00 -1.05 -2.11 103.07 106.06 2vnu h GLY 904 Ca 0.24 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2vnu h GLY 904 CO -0.02 0.30 -0.28 0.06 0.00 0.00 0.00 176.54 176.60 2vnu h GLN 905 N 0.93 0.00 -0.57 4.80 3.07 -1.11 -2.60 115.11 119.62 2vnu h GLN 905 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 2vnu h GLN 905 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 2vnu h GLN 905 CO -0.10 0.12 0.00 0.28 0.09 0.00 0.00 178.83 179.22 2vnu n VAL 906 N -3.07 0.05 0.00 1.86 0.31 -0.61 -2.80 118.33 114.07 2vnu n VAL 906 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2vnu n VAL 906 Cb 0.59 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 2vnu n VAL 906 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2vnu n ARG 908 N 0.48 0.00 -0.20 5.55 1.85 -0.98 -3.22 116.66 120.14 2vnu n ARG 908 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 2vnu n ARG 908 Cb 0.08 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 31.69 2vnu n ARG 908 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2vnu n ASN 909 N 0.00 2.20 -4.18 2.89 3.02 -1.12 -4.85 115.26 113.22 2vnu n ASN 909 Ca 0.00 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.24 2vnu n ASN 909 Cb 0.00 -0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 2vnu n ASN 909 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2vnu s ASN 910 N -1.05 3.93 0.37 6.41 3.04 -1.20 -5.02 114.94 121.43 2vnu s ASN 910 Ca 0.28 -0.77 0.23 0.00 0.04 0.00 0.00 52.86 52.64 2vnu s ASN 910 Cb 0.15 -1.60 0.36 0.00 -1.54 0.00 0.00 41.25 38.61 2vnu s ASN 910 CO 0.20 -0.07 1.56 1.05 -3.04 0.00 0.00 177.10 176.79 2vnu h GLU 911 N 7.98 0.00 -7.70 0.43 -0.00 -1.89 -3.41 114.58 110.00 2vnu h GLU 911 Ca -0.37 0.00 -0.45 0.00 -0.00 0.00 0.00 59.36 58.54 2vnu h GLU 911 Cb 1.12 0.00 0.15 0.00 -0.00 0.00 0.00 28.75 30.02 2vnu h GLU 911 CO 0.59 0.00 0.37 -1.54 -0.00 0.00 0.00 179.01 178.43 2vnu s SER 912 N -5.84 3.36 0.10 3.06 1.04 -1.26 -4.54 113.70 109.61 2vnu s SER 912 Ca 0.07 0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 2vnu s SER 912 Cb 0.07 -0.27 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 2vnu s SER 912 CO 0.68 -2.56 0.43 -0.89 0.98 0.00 0.00 173.24 171.87 2vnu s THR 913 N -3.75 5.06 0.28 2.02 2.01 -1.26 -4.08 115.64 115.91 2vnu s THR 913 Ca 0.72 0.47 0.04 0.00 0.31 0.00 0.00 61.69 63.23 2vnu s THR 913 Cb -0.04 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2vnu s THR 913 CO 0.51 0.24 0.03 -1.61 -0.69 0.00 0.00 174.62 173.10 2vnu s GLU 914 N -2.03 1.51 0.13 4.92 0.41 0.20 -4.94 118.70 118.89 2vnu s GLU 914 Ca 0.35 -1.80 -0.28 0.00 -0.41 0.00 0.00 54.97 52.83 2vnu s GLU 914 Cb -0.14 -0.76 -0.07 0.00 -1.78 0.00 0.00 34.13 31.38 2vnu s GLU 914 CO 0.19 -0.14 0.86 0.99 -0.49 0.00 0.00 175.26 176.67 2vnu s THR 915 N -3.35 4.44 0.16 3.63 2.01 -1.26 -1.29 115.64 119.98 2vnu s THR 915 Ca 0.33 1.88 0.05 0.00 0.31 0.00 0.00 61.69 64.25 2vnu s THR 915 Cb 0.07 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2vnu s THR 915 CO 0.13 0.42 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.55 2vnu s GLY 916 N -0.54 1.13 -0.08 4.40 0.00 0.74 -4.24 107.32 108.74 2vnu s GLY 916 Ca 0.41 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.63 2vnu s GLY 916 CO 0.28 -1.61 -0.16 -0.19 0.00 0.00 0.00 173.10 171.42 2vnu s TYR 917 N -3.32 1.85 -0.20 1.90 1.51 0.60 -0.92 117.35 118.77 2vnu s TYR 917 Ca 0.18 -0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 55.21 2vnu s TYR 917 Cb 0.03 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 2vnu s TYR 917 CO 0.02 -0.35 1.27 0.08 -1.11 0.00 0.00 175.55 175.47 2vnu s VAL 918 N 0.61 4.25 -0.70 0.71 1.01 -0.45 -0.23 120.40 125.60 2vnu s VAL 918 Ca -0.15 1.49 0.11 0.00 0.00 0.00 0.00 61.98 63.43 2vnu s VAL 918 Cb -0.16 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2vnu s VAL 918 CO 0.05 -0.21 0.54 2.30 0.00 0.00 0.00 175.10 177.77 2vnu n ILE 919 N 5.58 0.00 -3.64 2.22 -5.35 -0.72 0.72 119.36 118.17 2vnu n ILE 919 Ca 0.14 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 2vnu n ILE 919 Cb 0.45 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 2vnu n ILE 919 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2vnu s LYS 920 N -1.83 0.77 -0.08 6.28 2.47 -1.20 -4.93 119.74 121.23 2vnu s LYS 920 Ca 0.06 1.01 0.03 0.00 -1.56 0.00 0.00 55.97 55.51 2vnu s LYS 920 Cb 0.08 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 2vnu s LYS 920 CO 0.39 -0.11 -0.18 0.08 0.16 0.00 0.00 175.35 175.69 2vnu s VAL 921 N 0.67 1.58 0.44 4.02 1.01 -1.26 -0.63 120.40 126.23 2vnu s VAL 921 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2vnu s VAL 921 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2vnu s VAL 921 CO -0.04 0.45 0.04 -0.36 0.00 0.00 0.00 175.10 175.19 2vnu s PHE 922 N 0.41 2.03 0.38 5.22 0.40 0.25 -4.97 117.98 121.69 2vnu s PHE 922 Ca -0.14 -0.95 0.17 0.00 -0.60 0.00 0.00 56.93 55.40 2vnu s PHE 922 Cb -0.16 -1.52 0.94 0.00 0.51 0.00 0.00 43.02 42.79 2vnu s PHE 922 CO 0.06 0.15 1.91 -0.97 0.70 0.00 0.00 175.22 177.06 2vnu h ASN 923 N 1.65 0.00 -0.01 1.36 -0.73 -0.56 -3.25 115.58 114.04 2vnu h ASN 923 Ca -0.42 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.75 2vnu h ASN 923 Cb 1.28 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.87 2vnu h ASN 923 CO 0.72 0.27 -0.22 -0.46 -0.37 0.00 0.00 177.43 177.37 2vnu n ASN 924 N -4.02 2.09 0.00 1.15 6.94 -1.26 -4.83 115.26 115.33 2vnu n ASN 924 Ca -0.02 -3.46 0.00 0.00 -0.02 0.00 0.00 54.58 51.08 2vnu n ASN 924 Cb 0.34 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 2vnu n ASN 924 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vnu n GLY 925 N -1.28 -0.53 3.00 4.83 0.00 -1.23 -0.91 105.19 109.08 2vnu n GLY 925 Ca 0.18 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 2vnu n GLY 925 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vnu s ILE 926 N -2.00 0.57 -0.19 -0.61 -4.36 -0.54 -0.59 121.20 113.48 2vnu s ILE 926 Ca 0.00 -0.45 -0.13 0.00 -0.26 0.00 0.00 60.65 59.81 2vnu s ILE 926 Cb 0.00 -0.50 -0.05 0.00 1.25 0.00 0.00 42.46 43.16 2vnu s ILE 926 CO 0.00 0.06 0.27 -0.69 0.24 0.00 0.00 174.94 174.82 2vnu s VAL 927 N -0.38 5.31 -0.13 8.37 1.01 0.20 0.23 120.40 135.01 2vnu s VAL 927 Ca 0.01 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2vnu s VAL 927 Cb -0.04 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2vnu s VAL 927 CO -0.00 0.35 -0.17 0.68 0.00 0.00 0.00 175.10 175.96 2vnu s VAL 928 N 0.78 1.71 -0.08 2.92 -7.23 0.19 -1.75 120.40 116.94 2vnu s VAL 928 Ca 0.14 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 2vnu s VAL 928 Cb -0.13 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2vnu s VAL 928 CO 0.04 0.48 0.88 -0.22 -0.31 0.00 0.00 175.10 175.97 2vnu s LEU 929 N 1.00 4.29 -0.53 1.32 2.96 0.68 -1.04 118.68 127.35 2vnu s LEU 929 Ca -0.05 1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 55.21 2vnu s LEU 929 Cb -0.15 -3.37 0.14 0.00 0.50 0.00 0.00 46.19 43.31 2vnu s LEU 929 CO -0.03 -0.29 0.36 -0.69 -1.32 0.00 0.00 176.35 174.37 2vnu s VAL 930 N 1.43 3.80 0.49 1.68 1.01 -0.38 -0.29 120.40 128.13 2vnu s VAL 930 Ca 0.44 -2.35 0.16 0.00 0.00 0.00 0.00 61.98 60.24 2vnu s VAL 930 Cb -0.19 -3.51 0.31 0.00 0.00 0.00 0.00 36.38 32.99 2vnu s VAL 930 CO 0.20 -0.80 2.08 -0.65 0.00 0.00 0.00 175.10 175.92 2vnu h PRO 931 N 7.76 0.15 0.00 2.72 0.11 -1.84 0.11 132.00 141.00 2vnu h PRO 931 Ca -0.09 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2vnu h PRO 931 Cb 1.02 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2vnu h PRO 931 CO 0.75 0.10 -0.24 0.87 -0.21 0.00 0.00 178.00 179.26 2vnu h LYS 932 N 0.16 0.00 0.00 1.05 6.56 -1.94 -2.98 116.57 119.41 2vnu h LYS 932 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2vnu h LYS 932 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2vnu h LYS 932 CO -0.02 0.24 -1.62 1.19 -2.06 0.00 0.00 179.45 177.18 2vnu n PHE 933 N -4.05 0.00 -2.19 -1.35 3.01 -0.62 -4.75 117.46 107.50 2vnu n PHE 933 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 2vnu n PHE 933 Cb 0.31 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2vnu n PHE 933 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vnu n GLY 934 N 1.56 0.29 3.14 1.37 0.00 0.28 -4.97 105.19 106.85 2vnu n GLY 934 Ca -0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2vnu n GLY 934 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vnu s VAL 935 N -2.36 0.12 0.02 1.61 0.11 -1.21 -4.97 120.40 113.72 2vnu s VAL 935 Ca 0.02 -0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 2vnu s VAL 935 Cb -0.01 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2vnu s VAL 935 CO 0.03 -0.53 0.20 -1.61 -3.33 0.00 0.00 175.10 169.85 2vnu s GLU 936 N -2.45 3.44 -0.02 1.54 2.02 -1.26 -1.25 118.70 120.72 2vnu s GLU 936 Ca -0.06 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2vnu s GLU 936 Cb -0.02 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2vnu s GLU 936 CO -0.04 0.65 -0.07 0.20 0.02 0.00 0.00 175.26 176.02 2vnu s GLY 937 N -2.19 0.45 -0.09 -1.39 0.00 -0.21 -4.96 107.32 98.93 2vnu s GLY 937 Ca 0.31 -0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 2vnu s GLY 937 CO 0.23 -0.03 0.97 -2.27 0.00 0.00 0.00 173.10 172.00 2vnu s LEU 938 N 0.23 4.26 -0.40 0.66 2.96 -1.26 -0.63 118.68 124.50 2vnu s LEU 938 Ca -0.03 1.50 -0.13 0.00 -0.22 0.00 0.00 54.13 55.25 2vnu s LEU 938 Cb -0.08 -3.50 0.03 0.00 0.50 0.00 0.00 46.19 43.14 2vnu s LEU 938 CO 0.00 -0.40 0.27 -0.63 -1.32 0.00 0.00 176.35 174.27 2vnu s ILE 939 N 1.81 4.89 0.57 6.68 1.01 0.14 -4.81 121.20 131.49 2vnu s ILE 939 Ca 0.47 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 2vnu s ILE 939 Cb -0.18 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2vnu s ILE 939 CO 0.19 -0.33 1.04 0.00 0.00 0.00 0.00 174.94 175.84 2vnu s ARG 940 N 1.60 3.49 0.26 2.79 1.04 -1.26 -1.46 118.95 125.41 2vnu s ARG 940 Ca 0.03 1.13 -0.03 0.00 -1.04 0.00 0.00 55.73 55.82 2vnu s ARG 940 Cb -0.20 -2.06 0.33 0.00 -2.04 0.00 0.00 34.95 30.98 2vnu s ARG 940 CO 0.08 -0.67 1.84 1.25 -0.04 0.00 0.00 175.30 177.76 2vnu h LEU 941 N 0.56 0.91 -1.87 -1.89 5.85 -1.40 -1.99 115.31 115.47 2vnu h LEU 941 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2vnu h LEU 941 Cb 1.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2vnu h LEU 941 CO 0.59 0.82 0.11 -2.24 -0.34 0.00 0.00 178.44 177.37 2vnu h ASP 942 N 0.97 0.00 0.51 1.25 3.04 -1.86 0.71 116.42 121.05 2vnu h ASP 942 Ca 0.23 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.91 2vnu h ASP 942 Cb 0.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.46 2vnu h ASP 942 CO -0.02 0.00 -1.57 0.59 -2.04 0.00 0.00 179.24 176.20 2vnu n ASN 943 N -2.56 0.53 0.08 4.15 3.02 -0.76 -4.41 115.26 115.31 2vnu n ASN 943 Ca -0.02 0.22 -0.19 0.00 -0.03 0.00 0.00 54.58 54.57 2vnu n ASN 943 Cb 0.15 0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 39.99 2vnu n ASN 943 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2vnu h LEU 944 N 0.00 0.48 -7.61 3.41 3.38 -0.82 -3.46 115.31 110.69 2vnu h LEU 944 Ca -0.12 -0.63 -0.20 0.00 0.09 0.00 0.00 57.88 57.01 2vnu h LEU 944 Cb 1.36 -0.16 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 2vnu h LEU 944 CO 0.02 1.52 -0.57 0.28 0.09 0.00 0.00 178.44 179.78 2vnu s THR 945 N -2.61 0.00 0.10 0.22 -1.32 -0.54 -3.45 115.64 108.04 2vnu s THR 945 Ca -0.10 -0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.29 2vnu s THR 945 Cb 0.06 -0.19 -0.06 0.00 -1.51 0.00 0.00 72.50 70.81 2vnu s THR 945 CO 0.87 -0.01 0.37 -1.61 -2.21 0.00 0.00 174.62 172.02 2vnu s GLU 946 N 0.01 3.66 -0.58 7.08 2.02 -1.26 -4.41 118.70 125.22 2vnu s GLU 946 Ca -0.01 0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 2vnu s GLU 946 Cb -0.01 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 2vnu s GLU 946 CO 0.00 0.52 0.52 -3.47 0.02 0.00 0.00 175.26 172.86 2vnu n ASP 947 N 0.50 -5.09 0.11 -0.19 2.03 -1.26 -4.80 116.55 107.85 2vnu n ASP 947 Ca -0.05 -0.31 0.10 0.00 0.52 0.00 0.00 54.79 55.05 2vnu n ASP 947 Cb 0.52 -3.48 0.46 0.00 -0.72 0.00 0.00 41.12 37.89 2vnu n ASP 947 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2vnu n PRO 948 N -2.21 0.15 0.22 -0.67 -0.04 -1.26 -3.21 135.00 127.97 2vnu n PRO 948 Ca -0.03 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2vnu n PRO 948 Cb 0.55 -1.81 0.69 0.00 -0.04 0.00 0.00 33.50 32.89 2vnu n PRO 948 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2vnu h ASN 949 N 0.00 0.00 -0.01 3.54 2.35 -1.97 -2.88 115.58 116.61 2vnu h ASN 949 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2vnu h ASN 949 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2vnu h ASN 949 CO 0.00 0.00 -0.64 -1.54 -1.65 0.00 0.00 177.43 173.60 2vnu n SER 950 N -4.40 1.25 -4.70 5.81 3.41 -1.20 -4.95 113.62 108.85 2vnu n SER 950 Ca -0.01 -1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 2vnu n SER 950 Cb 0.18 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 2vnu n SER 950 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vnu n ALA 951 N -0.83 1.59 -3.65 7.33 0.00 -1.09 -4.76 120.51 119.09 2vnu n ALA 951 Ca 0.05 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 2vnu n ALA 951 Cb 0.33 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.28 2vnu n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vnu s ALA 952 N -0.18 0.61 -0.20 0.00 0.00 0.14 -4.97 121.76 117.16 2vnu s ALA 952 Ca 0.65 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 2vnu s ALA 952 Cb -0.59 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2vnu s ALA 952 CO 0.51 -0.07 0.04 0.12 0.00 0.00 0.00 175.76 176.36 2vnu s PHE 953 N 1.03 3.14 -0.41 0.00 5.36 -1.26 -0.26 117.98 125.57 2vnu s PHE 953 Ca -0.09 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.62 2vnu s PHE 953 Cb -0.14 -2.10 0.08 0.00 -0.34 0.00 0.00 43.02 40.52 2vnu s PHE 953 CO -0.01 -0.06 0.24 0.34 -1.46 0.00 0.00 175.22 174.27 2vnu s ASP 954 N 0.77 5.53 0.36 6.13 -1.08 0.86 -4.97 116.67 124.27 2vnu s ASP 954 Ca 0.02 -1.59 0.12 0.00 -0.52 0.00 0.00 52.55 50.58 2vnu s ASP 954 Cb -0.14 -1.94 0.67 0.00 -1.46 0.00 0.00 42.92 40.05 2vnu s ASP 954 CO 0.02 -0.53 1.80 1.05 0.52 0.00 0.00 175.17 178.03 2vnu h GLU 955 N 8.33 0.01 0.00 4.34 -0.00 -1.97 0.23 114.58 125.51 2vnu h GLU 955 Ca -0.21 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.14 2vnu h GLU 955 Cb 1.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.82 2vnu h GLU 955 CO 0.74 0.40 -0.68 -0.39 -0.00 0.00 0.00 179.01 179.08 2vnu h VAL 956 N 0.01 0.05 0.00 -1.06 -1.51 -1.96 -3.31 116.25 108.46 2vnu h VAL 956 Ca -0.00 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 2vnu h VAL 956 Cb 0.71 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2vnu h VAL 956 CO 0.05 0.03 -1.17 -0.62 -1.23 0.00 0.00 177.57 174.63 2vnu n GLU 957 N -2.84 0.14 -3.41 5.19 1.02 -1.09 -4.94 120.64 114.70 2vnu n GLU 957 Ca 0.01 -0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 2vnu n GLU 957 Cb 0.56 -1.51 0.07 0.00 -0.02 0.00 0.00 31.44 30.54 2vnu n GLU 957 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2vnu n TYR 958 N -1.67 -2.24 -3.87 -0.32 4.02 0.75 -4.74 117.16 109.09 2vnu n TYR 958 Ca 0.02 0.85 -0.21 0.00 -0.01 0.00 0.00 57.90 58.56 2vnu n TYR 958 Cb 0.38 -4.44 -0.17 0.00 -0.02 0.00 0.00 39.34 35.09 2vnu n TYR 958 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2vnu s LYS 959 N -5.10 0.50 -0.21 -0.72 2.20 -0.88 -1.54 119.74 113.99 2vnu s LYS 959 Ca 0.23 0.09 -0.09 0.00 -0.36 0.00 0.00 55.97 55.85 2vnu s LYS 959 Cb -0.04 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.46 2vnu s LYS 959 CO 0.76 -0.22 0.10 -1.17 -0.36 0.00 0.00 175.35 174.45 2vnu s LEU 960 N 1.56 3.91 -0.15 5.43 2.96 -0.16 -0.10 118.68 132.12 2vnu s LEU 960 Ca -0.02 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2vnu s LEU 960 Cb -0.13 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2vnu s LEU 960 CO -0.03 0.12 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.17 2vnu s THR 961 N 0.71 3.70 0.01 3.68 2.01 0.64 -0.63 115.64 125.76 2vnu s THR 961 Ca 0.05 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2vnu s THR 961 Cb -0.13 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.80 2vnu s THR 961 CO 0.02 0.50 0.35 0.72 -0.69 0.00 0.00 174.62 175.51 2vnu s PHE 962 N 0.41 -0.20 -0.38 4.92 -0.71 -0.40 0.27 117.98 121.88 2vnu s PHE 962 Ca -0.05 0.22 -0.29 0.00 -1.04 0.00 0.00 56.93 55.77 2vnu s PHE 962 Cb -0.15 0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.82 2vnu s PHE 962 CO 0.03 -0.48 1.24 0.08 -1.34 0.00 0.00 175.22 174.76 2vnu s VAL 963 N -1.93 4.16 0.88 -2.49 1.01 -1.26 0.18 120.40 120.95 2vnu s VAL 963 Ca -0.09 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 2vnu s VAL 963 Cb -0.03 -4.34 0.12 0.00 0.00 0.00 0.00 36.38 32.13 2vnu s VAL 963 CO 0.01 -0.70 1.10 -2.84 0.00 0.00 0.00 175.10 172.66 2vnu s PRO 964 N 4.35 1.39 0.29 2.72 0.02 -1.26 -4.23 135.00 138.29 2vnu s PRO 964 Ca 0.53 0.70 0.01 0.00 0.02 0.00 0.00 61.00 62.26 2vnu s PRO 964 Cb -0.12 -1.83 0.53 0.00 0.02 0.00 0.00 34.50 33.09 2vnu s PRO 964 CO 0.27 -2.12 1.88 1.15 -0.33 0.00 0.00 177.00 177.85 2vnu h THR 965 N -1.46 1.02 0.00 0.99 2.02 -1.87 -1.22 112.91 112.40 2vnu h THR 965 Ca -0.49 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2vnu h THR 965 Cb 1.29 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2vnu h THR 965 CO 0.57 0.19 -0.22 -0.55 0.37 0.00 0.00 175.52 175.87 2vnu h ASN 966 N 1.03 0.00 -2.74 4.18 -1.07 -1.93 -3.46 115.58 111.60 2vnu h ASN 966 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 2vnu h ASN 966 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 2vnu h ASN 966 CO -0.18 0.22 0.00 -1.54 0.07 0.00 0.00 177.43 176.00 2vnu n SER 967 N -3.48 1.61 0.00 6.14 3.41 -0.46 -5.05 113.62 115.79 2vnu n SER 967 Ca -0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2vnu n SER 967 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2vnu n SER 967 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2vnu n ASP 968 N -1.34 3.11 -4.74 4.04 2.03 -1.26 -4.73 116.55 113.66 2vnu n ASP 968 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2vnu n ASP 968 Cb 0.00 0.56 -0.07 0.00 -0.72 0.00 0.00 41.12 40.89 2vnu n ASP 968 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2vnu s LYS 969 N -1.32 4.20 0.74 -0.67 -0.14 -1.26 -4.97 119.74 116.32 2vnu s LYS 969 Ca 0.00 0.12 -0.13 0.00 -1.36 0.00 0.00 55.97 54.60 2vnu s LYS 969 Cb 0.00 -3.40 0.04 0.00 -1.68 0.00 0.00 37.83 32.79 2vnu s LYS 969 CO 0.00 0.29 1.13 -2.14 -0.76 0.00 0.00 175.35 173.86 2vnu s PRO 970 N 0.31 2.29 -0.03 -1.68 0.02 -1.26 -4.10 135.00 130.56 2vnu s PRO 970 Ca 0.17 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.62 2vnu s PRO 970 Cb -0.13 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.52 2vnu s PRO 970 CO 0.05 -1.65 -0.03 0.50 -0.33 0.00 0.00 177.00 175.54 2vnu s ARG 971 N -4.36 0.61 -0.17 5.54 3.52 0.13 -4.93 118.95 119.29 2vnu s ARG 971 Ca 0.67 -0.06 -0.16 0.00 -0.13 0.00 0.00 55.73 56.05 2vnu s ARG 971 Cb -0.21 -0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 2vnu s ARG 971 CO 0.48 -0.07 0.39 -0.51 -0.81 0.00 0.00 175.30 174.78 2vnu s ASP 972 N 0.81 6.51 -0.14 -2.12 1.01 -1.26 -1.27 116.67 120.20 2vnu s ASP 972 Ca -0.10 0.60 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2vnu s ASP 972 Cb -0.13 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.59 2vnu s ASP 972 CO -0.00 -0.01 -0.16 -0.69 0.21 0.00 0.00 175.17 174.52 2vnu s VAL 973 N 0.89 1.65 0.17 -1.27 1.01 0.19 -4.99 120.40 118.06 2vnu s VAL 973 Ca 0.20 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2vnu s VAL 973 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2vnu s VAL 973 CO 0.07 0.47 0.01 -0.31 0.00 0.00 0.00 175.10 175.34 2vnu s TYR 974 N 1.25 2.87 0.29 5.22 1.51 -1.26 -0.99 117.35 126.23 2vnu s TYR 974 Ca 0.00 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.64 2vnu s TYR 974 Cb -0.14 -1.39 -0.12 0.00 -0.11 0.00 0.00 41.96 40.19 2vnu s TYR 974 CO -0.07 0.51 1.45 1.55 -1.11 0.00 0.00 175.55 177.88 2vnu n VAL 975 N -0.09 1.26 0.00 0.71 3.14 -0.59 -2.12 118.33 120.65 2vnu n VAL 975 Ca -0.10 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 2vnu n VAL 975 Cb 0.55 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 2vnu n VAL 975 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2vnu n PHE 976 N 1.55 0.00 -1.63 1.45 3.72 0.22 -4.97 117.46 117.80 2vnu n PHE 976 Ca 0.09 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.04 2vnu n PHE 976 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 2vnu n PHE 976 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2vnu n ASP 977 N 0.01 1.95 -4.66 4.37 8.00 -0.90 -4.42 116.55 120.91 2vnu n ASP 977 Ca 0.00 1.17 -0.43 0.00 0.71 0.00 0.00 54.79 56.25 2vnu n ASP 977 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 39.72 2vnu n ASP 977 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2vnu s LYS 978 N -1.22 4.25 0.30 -1.24 2.20 -1.26 -1.34 119.74 121.42 2vnu s LYS 978 Ca 0.62 1.24 0.06 0.00 -0.36 0.00 0.00 55.97 57.53 2vnu s LYS 978 Cb -0.68 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 31.94 2vnu s LYS 978 CO 0.57 -0.58 -0.04 0.14 -0.36 0.00 0.00 175.35 175.08 2vnu s VAL 979 N 3.04 1.62 -0.13 4.02 -7.23 -0.10 -4.96 120.40 116.67 2vnu s VAL 979 Ca 0.42 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2vnu s VAL 979 Cb -0.15 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2vnu s VAL 979 CO 0.07 -0.23 0.10 -1.61 -0.31 0.00 0.00 175.10 173.11 2vnu s GLU 980 N -3.75 3.47 0.05 4.82 2.02 -1.26 -0.18 118.70 123.86 2vnu s GLU 980 Ca 0.31 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.10 2vnu s GLU 980 Cb 0.05 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2vnu s GLU 980 CO 0.13 0.66 -0.09 0.54 0.02 0.00 0.00 175.26 176.52 2vnu s VAL 981 N -0.70 0.63 0.11 2.63 0.11 -0.41 -0.34 120.40 122.42 2vnu s VAL 981 Ca 0.13 -1.13 -0.14 0.00 -2.93 0.00 0.00 61.98 57.91 2vnu s VAL 981 Cb -0.12 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2vnu s VAL 981 CO 0.03 -0.37 0.34 0.00 -3.33 0.00 0.00 175.10 171.77 2vnu s GLN 982 N -1.63 0.99 -0.31 1.54 -2.07 -0.34 0.58 119.66 118.41 2vnu s GLN 982 Ca -0.09 -0.74 -0.10 0.00 -1.82 0.00 0.00 55.36 52.61 2vnu s GLN 982 Cb -0.10 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.24 2vnu s GLN 982 CO 0.01 -0.36 0.17 0.08 -1.32 0.00 0.00 175.29 173.86 2vnu s VAL 983 N -3.69 4.78 -1.11 3.63 1.01 -1.26 -0.74 120.40 123.04 2vnu s VAL 983 Ca 0.03 -0.33 0.12 0.00 0.00 0.00 0.00 61.98 61.79 2vnu s VAL 983 Cb 0.02 -3.43 0.30 0.00 0.00 0.00 0.00 36.38 33.27 2vnu s VAL 983 CO -0.11 0.07 1.21 -2.11 0.00 0.00 0.00 175.10 174.17 2vnu n ARG 984 N 5.01 2.49 0.00 2.72 0.00 -1.26 -4.62 116.66 121.00 2vnu n ARG 984 Ca -0.14 -1.96 0.00 0.00 -0.00 0.00 0.00 57.85 55.76 2vnu n ARG 984 Cb 0.49 -1.29 0.00 0.00 -0.00 0.00 0.00 32.46 31.67 2vnu n ARG 984 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2vnu n LYS 993 N 0.63 0.00 -4.59 2.89 2.85 -1.26 -4.90 118.16 113.78 2vnu n LYS 993 Ca 0.12 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.12 2vnu n LYS 993 Cb 0.42 -0.64 -0.14 0.00 -0.65 0.00 0.00 35.03 34.02 2vnu n LYS 993 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2vnu s ARG 994 N 0.00 1.37 0.08 -1.58 1.70 -1.26 -5.11 118.95 114.14 2vnu s ARG 994 Ca 0.00 -1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 53.96 2vnu s ARG 994 Cb 0.00 -1.52 -0.05 0.00 -0.57 0.00 0.00 34.95 32.81 2vnu s ARG 994 CO 0.00 0.38 1.06 0.15 -1.08 0.00 0.00 175.30 175.81 2vnu s LYS 995 N -1.32 4.56 0.03 3.89 -0.14 -1.26 -4.32 119.74 121.18 2vnu s LYS 995 Ca 0.08 1.58 0.02 0.00 -1.36 0.00 0.00 55.97 56.29 2vnu s LYS 995 Cb -0.09 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 2vnu s LYS 995 CO 0.02 -0.02 -0.07 0.00 -0.76 0.00 0.00 175.35 174.52 2vnu s ALA 996 N 0.55 0.55 -0.30 5.17 0.00 0.08 -4.76 121.76 123.06 2vnu s ALA 996 Ca 0.52 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 2vnu s ALA 996 Cb -0.25 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2vnu s ALA 996 CO 0.30 0.00 0.72 -1.21 0.00 0.00 0.00 175.76 175.58 2vnu s GLU 997 N -1.34 3.97 0.00 0.00 8.01 -1.26 -1.20 118.70 126.88 2vnu s GLU 997 Ca -0.08 0.51 0.31 0.00 0.01 0.00 0.00 54.97 55.72 2vnu s GLU 997 Cb -0.09 -3.72 1.75 0.00 -4.31 0.00 0.00 34.13 27.77 2vnu s GLU 997 CO 0.00 -0.61 2.14 1.28 0.01 0.00 0.00 175.26 178.08