#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdl s ASP 315 N 0.00 5.96 0.23 6.12 1.01 -1.26 -4.98 116.67 123.75 3bdl s ASP 315 Ca 0.00 1.46 0.02 0.00 0.71 0.00 0.00 52.55 54.74 3bdl s ASP 315 Cb 0.00 -2.46 0.23 0.00 1.01 0.00 0.00 42.92 41.71 3bdl s ASP 315 CO 0.00 -1.05 1.56 0.50 0.21 0.00 0.00 175.17 176.39 3bdl h LYS 316 N -0.45 0.36 -5.45 8.23 3.64 -1.95 -3.45 116.57 117.50 3bdl h LYS 316 Ca -0.44 -0.22 -0.49 0.00 -1.27 0.00 0.00 60.65 58.22 3bdl h LYS 316 Cb 1.20 0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 3bdl h LYS 316 CO 0.61 0.81 -0.81 -0.65 -2.27 0.00 0.00 179.45 177.14 3bdl s GLN 317 N -3.91 1.15 -0.00 1.90 -0.21 -1.26 -0.30 119.66 117.03 3bdl s GLN 317 Ca -0.05 -0.65 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 3bdl s GLN 317 Cb 0.12 -1.15 0.10 0.00 1.00 0.00 0.00 33.01 33.08 3bdl s GLN 317 CO 0.81 0.30 1.01 -0.59 -2.12 0.00 0.00 175.29 174.70 3bdl s PHE 318 N -0.54 -0.22 -0.11 0.91 -0.71 -0.76 -5.02 117.98 111.53 3bdl s PHE 318 Ca 0.05 0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.99 3bdl s PHE 318 Cb -0.07 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 3bdl s PHE 318 CO 0.00 -0.52 -0.06 0.08 -1.34 0.00 0.00 175.22 173.38 3bdl s VAL 319 N -2.96 3.72 0.07 -2.49 1.01 -1.26 -0.44 120.40 118.05 3bdl s VAL 319 Ca 0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3bdl s VAL 319 Cb -0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3bdl s VAL 319 CO -0.05 0.55 0.22 0.00 0.00 0.00 0.00 175.10 175.82 3bdl s ALA 320 N -0.27 -0.37 -0.13 5.51 0.00 -0.77 -4.56 121.76 121.17 3bdl s ALA 320 Ca 0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 3bdl s ALA 320 Cb -0.13 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3bdl s ALA 320 CO 0.02 -0.47 0.43 0.21 0.00 0.00 0.00 175.76 175.95 3bdl s LYS 321 N -3.35 4.31 -0.14 0.00 2.20 -0.95 -0.73 119.74 121.08 3bdl s LYS 321 Ca 0.01 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 3bdl s LYS 321 Cb 0.02 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3bdl s LYS 321 CO -0.08 0.19 1.33 0.08 -0.36 0.00 0.00 175.35 176.50 3bdl s VAL 322 N 0.56 4.15 -0.05 4.02 1.01 0.37 -0.69 120.40 129.77 3bdl s VAL 322 Ca 0.23 1.40 0.19 0.00 0.00 0.00 0.00 61.98 63.80 3bdl s VAL 322 Cb -0.15 -3.90 -0.28 0.00 0.00 0.00 0.00 36.38 32.05 3bdl s VAL 322 CO 0.09 -0.12 0.36 0.23 0.00 0.00 0.00 175.10 175.65 3bdl n MET 323 N 6.63 0.68 -3.61 2.72 0.00 0.59 -1.00 117.12 123.11 3bdl n MET 323 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 3bdl n MET 323 Cb 0.44 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 32.14 3bdl n MET 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3bdl s GLN 324 N -3.17 0.60 -0.30 0.03 0.74 -1.18 -4.88 119.66 111.49 3bdl s GLN 324 Ca -0.07 0.48 -0.11 0.00 0.05 0.00 0.00 55.36 55.71 3bdl s GLN 324 Cb 0.11 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.48 3bdl s GLN 324 CO 0.79 -0.12 0.20 0.08 -0.55 0.00 0.00 175.29 175.69 3bdl s VAL 325 N -0.23 5.14 -1.10 1.34 1.01 -1.26 -0.69 120.40 124.61 3bdl s VAL 325 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3bdl s VAL 325 Cb -0.03 -3.54 0.18 0.00 0.00 0.00 0.00 36.38 32.98 3bdl s VAL 325 CO -0.02 0.13 1.27 -0.22 0.00 0.00 0.00 175.10 176.26 3bdl s LEU 326 N 1.72 5.34 0.00 3.92 2.96 0.12 -4.94 118.68 127.79 3bdl s LEU 326 Ca 0.06 -2.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.17 3bdl s LEU 326 Cb -0.17 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3bdl s LEU 326 CO 0.10 -0.76 0.00 0.59 -1.32 0.00 0.00 176.35 174.96 3bdl n ASN 327 N 5.39 0.00 -0.01 3.68 5.03 -1.26 -3.25 115.26 124.84 3bdl n ASN 327 Ca 0.30 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.77 3bdl n ASN 327 Cb 0.44 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.18 3bdl n ASN 327 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bdl n ALA 328 N 11.48 2.51 -0.29 5.41 0.00 -1.26 -4.09 120.51 134.27 3bdl n ALA 328 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3bdl n ALA 328 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3bdl n ALA 328 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3bdl n ASP 329 N -0.99 1.03 -3.87 0.00 5.75 -1.25 -4.84 116.55 112.38 3bdl n ASP 329 Ca 0.01 -1.32 -0.10 0.00 -0.01 0.00 0.00 54.79 53.36 3bdl n ASP 329 Cb 0.06 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.06 3bdl n ASP 329 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bdl s ALA 330 N -0.32 -0.30 0.11 2.12 0.00 -1.20 -0.96 121.76 121.20 3bdl s ALA 330 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3bdl s ALA 330 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3bdl s ALA 330 CO 0.00 -0.30 -0.03 0.96 0.00 0.00 0.00 175.76 176.38 3bdl s ILE 331 N -2.20 0.53 -0.15 0.00 -4.36 -0.39 0.13 121.20 114.75 3bdl s ILE 331 Ca -0.08 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 3bdl s ILE 331 Cb -0.03 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 3bdl s ILE 331 CO -0.02 -0.78 -0.11 -0.69 0.24 0.00 0.00 174.94 173.58 3bdl s VAL 332 N -3.74 3.16 0.23 8.37 1.01 0.13 -0.57 120.40 129.00 3bdl s VAL 332 Ca 0.14 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.63 3bdl s VAL 332 Cb 0.06 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3bdl s VAL 332 CO -0.03 0.50 -0.22 0.68 0.00 0.00 0.00 175.10 176.03 3bdl s VAL 333 N 0.64 2.37 -0.21 2.92 -7.23 0.14 -0.30 120.40 118.73 3bdl s VAL 333 Ca -0.06 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 57.86 3bdl s VAL 333 Cb -0.15 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3bdl s VAL 333 CO 0.03 -0.27 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.75 3bdl s LYS 334 N -3.11 3.40 0.78 4.82 2.20 0.13 -1.13 119.74 126.83 3bdl s LYS 334 Ca 0.25 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 55.12 3bdl s LYS 334 Cb -0.06 -3.00 0.06 0.00 -1.51 0.00 0.00 37.83 33.32 3bdl s LYS 334 CO 0.12 -0.16 1.14 -0.51 -0.36 0.00 0.00 175.35 175.57 3bdl s LEU 335 N 1.39 2.60 0.53 5.43 1.02 0.33 -2.23 118.68 127.75 3bdl s LEU 335 Ca 0.05 0.98 0.25 0.00 0.02 0.00 0.00 54.13 55.43 3bdl s LEU 335 Cb -0.14 -3.58 1.47 0.00 0.02 0.00 0.00 46.19 43.95 3bdl s LEU 335 CO -0.02 -1.78 2.11 0.78 0.02 0.00 0.00 176.35 177.45 3bdl h ASN 336 N -0.96 0.00 1.21 2.29 2.35 -1.88 -0.79 115.58 117.79 3bdl h ASN 336 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3bdl h ASN 336 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3bdl h ASN 336 CO 0.64 0.09 0.00 0.77 -1.65 0.00 0.00 177.43 177.29 3bdl h SER 337 N 0.00 0.00 0.00 5.81 4.64 -1.98 -3.46 113.55 118.56 3bdl h SER 337 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bdl h SER 337 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3bdl h SER 337 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3bdl n GLY 338 N 0.29 0.42 3.85 -0.77 0.00 -0.30 -5.08 105.19 103.59 3bdl n GLY 338 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3bdl n GLY 338 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bdl s ASP 339 N -2.03 6.54 -0.03 1.61 1.01 -1.26 -4.76 116.67 117.76 3bdl s ASP 339 Ca 0.00 1.51 0.01 0.00 0.71 0.00 0.00 52.55 54.77 3bdl s ASP 339 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3bdl s ASP 339 CO 0.00 -0.62 -0.01 -0.31 0.21 0.00 0.00 175.17 174.44 3bdl s TYR 340 N -2.71 3.07 -0.01 4.23 1.51 -1.26 -0.52 117.35 121.67 3bdl s TYR 340 Ca 0.58 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 3bdl s TYR 340 Cb -0.10 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 3bdl s TYR 340 CO 0.35 0.44 -0.04 0.15 -1.11 0.00 0.00 175.55 175.35 3bdl s LYS 341 N -1.29 0.35 -0.20 -0.62 -0.14 -0.29 -4.97 119.74 112.57 3bdl s LYS 341 Ca 0.17 -0.12 -0.16 0.00 -1.36 0.00 0.00 55.97 54.50 3bdl s LYS 341 Cb -0.11 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.64 3bdl s LYS 341 CO 0.07 0.05 0.41 0.99 -0.76 0.00 0.00 175.35 176.11 3bdl s THR 342 N 0.09 5.19 -0.12 2.17 2.01 -1.26 -0.68 115.64 123.02 3bdl s THR 342 Ca -0.01 0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.75 3bdl s THR 342 Cb -0.04 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3bdl s THR 342 CO -0.00 0.24 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.32 3bdl s ILE 343 N 1.39 2.16 0.09 1.82 -1.09 0.27 -4.63 121.20 121.21 3bdl s ILE 343 Ca 0.19 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 3bdl s ILE 343 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3bdl s ILE 343 CO 0.08 0.55 0.23 -1.00 -1.23 0.00 0.00 174.94 173.57 3bdl s HIS 344 N 0.59 3.49 -0.15 3.97 3.76 -0.26 -1.26 115.29 125.42 3bdl s HIS 344 Ca -0.12 0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 3bdl s HIS 344 Cb -0.17 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 3bdl s HIS 344 CO 0.03 0.56 1.00 -0.51 -0.85 0.00 0.00 174.74 174.97 3bdl s LEU 345 N -2.74 4.19 0.37 0.89 1.43 -0.13 -0.59 118.68 122.09 3bdl s LEU 345 Ca 0.35 1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 3bdl s LEU 345 Cb -0.12 -3.52 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3bdl s LEU 345 CO 0.28 -0.51 1.35 -0.94 0.23 0.00 0.00 176.35 176.76 3bdl s SER 346 N 1.14 6.52 -1.91 2.29 1.04 -0.31 -3.61 113.70 118.84 3bdl s SER 346 Ca 0.46 2.78 0.00 0.00 0.48 0.00 0.00 55.95 59.67 3bdl s SER 346 Cb -0.17 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.30 3bdl s SER 346 CO 0.13 -0.72 0.00 -1.20 0.98 0.00 0.00 173.24 172.43 3bdl n SER 347 N 0.51 -5.47 -4.15 7.02 7.64 -1.26 -4.70 113.62 113.20 3bdl n SER 347 Ca 0.01 0.27 -0.11 0.00 1.01 0.00 0.00 58.87 60.06 3bdl n SER 347 Cb 0.42 -4.62 -0.10 0.00 -1.01 0.00 0.00 64.21 58.89 3bdl n SER 347 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3bdl s ILE 348 N -2.83 0.65 -0.03 0.44 -4.36 -1.24 -1.10 121.20 112.73 3bdl s ILE 348 Ca 0.00 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 58.67 3bdl s ILE 348 Cb 0.00 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.22 3bdl s ILE 348 CO 0.00 -0.78 -0.19 -0.13 0.24 0.00 0.00 174.94 174.07 3bdl s ARG 349 N -3.41 1.81 0.80 0.37 0.52 0.39 -4.85 118.95 114.58 3bdl s ARG 349 Ca 0.08 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 3bdl s ARG 349 Cb 0.02 -1.63 0.07 0.00 0.52 0.00 0.00 34.95 33.94 3bdl s ARG 349 CO -0.04 0.34 1.13 -1.25 0.02 0.00 0.00 175.30 175.50 3bdl s PRO 350 N -0.20 2.04 0.41 3.54 0.04 -1.26 -1.57 135.00 138.00 3bdl s PRO 350 Ca 0.01 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.12 3bdl s PRO 350 Cb -0.10 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3bdl s PRO 350 CO 0.01 -1.58 1.35 -1.25 0.04 0.00 0.00 177.00 175.57 3bdl s PRO 351 N -5.38 3.94 0.03 0.56 0.04 -1.26 -4.85 135.00 128.09 3bdl s PRO 351 Ca 0.61 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.90 3bdl s PRO 351 Cb -0.12 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3bdl s PRO 351 CO 0.52 -0.55 -0.01 1.03 0.04 0.00 0.00 177.00 178.02 3bdl s ARG 352 N -2.25 0.47 -0.06 4.56 0.52 -1.26 -4.94 118.95 116.00 3bdl s ARG 352 Ca 0.57 -0.88 0.16 0.00 -0.52 0.00 0.00 55.73 55.07 3bdl s ARG 352 Cb -0.40 0.17 0.58 0.00 0.52 0.00 0.00 34.95 35.82 3bdl s ARG 352 CO 0.52 -0.09 1.47 1.28 0.02 0.00 0.00 175.30 178.50 3bdl n LEU 353 N 0.87 3.78 -4.68 2.53 4.77 -1.26 -4.95 117.00 118.06 3bdl n LEU 353 Ca -0.19 -1.90 -0.44 0.00 -0.03 0.00 0.00 56.01 53.45 3bdl n LEU 353 Cb 0.58 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3bdl n LEU 353 CO 0.24 0.73 1.44 -0.62 -1.33 0.00 0.00 177.39 177.85 3bdl n GLU 354 N 1.03 2.61 0.00 3.23 1.02 -1.26 -1.56 120.64 125.71 3bdl n GLU 354 Ca 0.21 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 3bdl n GLU 354 Cb 0.68 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 3bdl n GLU 354 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bdl n GLY 355 N 4.15 1.54 3.67 0.62 0.00 -1.26 -5.07 105.19 108.84 3bdl n GLY 355 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3bdl n GLY 355 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bdl s GLU 356 N -0.81 2.61 0.03 1.61 0.41 -0.60 -5.10 118.70 116.83 3bdl s GLU 356 Ca 0.00 -0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 53.54 3bdl s GLU 356 Cb 0.00 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.73 3bdl s GLU 356 CO 0.00 0.57 0.80 1.21 -0.49 0.00 0.00 175.26 177.36 3bdl s ASN 357 N -1.98 7.22 -0.23 -0.19 3.84 -1.26 -4.96 114.94 117.38 3bdl s ASN 357 Ca 0.23 1.47 0.15 0.00 0.21 0.00 0.00 52.86 54.92 3bdl s ASN 357 Cb -0.12 -2.48 0.47 0.00 -0.55 0.00 0.00 41.25 38.57 3bdl s ASN 357 CO 0.14 -0.05 1.17 0.35 -2.79 0.00 0.00 177.10 175.92 3bdl n THR 358 N 3.12 1.73 0.27 -5.21 -2.24 -1.26 -4.84 114.28 105.85 3bdl n THR 358 Ca -0.01 -3.21 0.13 0.00 -2.27 0.00 0.00 64.05 58.69 3bdl n THR 358 Cb 0.50 0.08 0.81 0.00 -2.10 0.00 0.00 70.33 69.63 3bdl n THR 358 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3bdl h GLN 359 N 1.97 0.00 0.00 -0.78 4.15 -2.00 0.12 115.11 118.57 3bdl h GLN 359 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3bdl h GLN 359 Cb 1.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.11 3bdl h GLN 359 CO 0.36 0.00 0.00 0.38 -1.93 0.00 0.00 178.83 177.64 3bdl h ASP 360 N 0.00 0.00 -0.20 -0.69 2.03 -2.04 -2.20 116.42 113.33 3bdl h ASP 360 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 3bdl h ASP 360 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3bdl h ASP 360 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 3bdl n LYS 361 N -2.72 2.56 -1.64 4.15 4.76 0.41 -5.01 118.16 120.66 3bdl n LYS 361 Ca -0.00 -2.52 -0.55 0.00 -2.87 0.00 0.00 58.31 52.37 3bdl n LYS 361 Cb 0.17 -1.59 -0.07 0.00 -1.84 0.00 0.00 35.03 31.71 3bdl n LYS 361 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bdl n ASN 362 N -0.52 1.92 -3.12 4.39 5.03 -0.83 -1.21 115.26 120.91 3bdl n ASN 362 Ca 0.16 1.10 -0.17 0.00 0.87 0.00 0.00 54.58 56.54 3bdl n ASN 362 Cb 0.69 -1.16 -0.01 0.00 -1.02 0.00 0.00 39.78 38.28 3bdl n ASN 362 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3bdl n LYS 363 N 3.71 -2.71 0.00 3.52 2.85 -1.26 -4.63 118.16 119.64 3bdl n LYS 363 Ca 0.22 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 3bdl n LYS 363 Cb 0.16 -4.93 0.00 0.00 -0.65 0.00 0.00 35.03 29.61 3bdl n LYS 363 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3bdl n LYS 364 N -3.27 0.00 -2.48 -1.58 2.85 -0.35 -5.10 118.16 108.23 3bdl n LYS 364 Ca -0.02 -0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.70 3bdl n LYS 364 Cb 0.53 -0.24 -0.03 0.00 -0.65 0.00 0.00 35.03 34.64 3bdl n LYS 364 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3bdl s LEU 365 N 0.00 4.40 -0.36 -5.58 0.20 -0.38 -5.01 118.68 111.94 3bdl s LEU 365 Ca 0.00 1.99 0.04 0.00 0.69 0.00 0.00 54.13 56.85 3bdl s LEU 365 Cb 0.00 -3.58 0.10 0.00 -0.43 0.00 0.00 46.19 42.28 3bdl s LEU 365 CO 0.00 -0.39 0.08 -0.13 -0.29 0.00 0.00 176.35 175.62 3bdl s ARG 366 N 0.72 1.52 0.27 1.98 0.52 -1.26 -5.02 118.95 117.69 3bdl s ARG 366 Ca 0.56 -1.95 -0.08 0.00 -0.52 0.00 0.00 55.73 53.73 3bdl s ARG 366 Cb -0.28 -3.20 0.45 0.00 0.52 0.00 0.00 34.95 32.44 3bdl s ARG 366 CO 0.30 -0.96 1.57 -1.35 0.02 0.00 0.00 175.30 174.88 3bdl h PRO 367 N 7.48 0.00 -0.93 3.54 0.11 -1.94 0.31 132.00 140.57 3bdl h PRO 367 Ca -0.05 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.24 3bdl h PRO 367 Cb 1.00 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 3bdl h PRO 367 CO 0.54 0.00 0.59 1.25 -0.21 0.00 0.00 178.00 180.17 3bdl h LEU 368 N 0.00 0.61 0.00 2.35 5.85 -1.95 -1.98 115.31 120.20 3bdl h LEU 368 Ca 0.47 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 59.14 3bdl h LEU 368 Cb 0.72 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3bdl h LEU 368 CO -0.98 0.27 -1.83 -1.22 -0.34 0.00 0.00 178.44 174.34 3bdl n TYR 369 N -4.59 0.00 0.31 1.25 4.02 -0.32 -2.74 117.16 115.09 3bdl n TYR 369 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.20 3bdl n TYR 369 Cb 0.56 -0.50 -0.04 0.00 -0.02 0.00 0.00 39.34 39.34 3bdl n TYR 369 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3bdl n ASP 370 N -2.23 0.52 -4.71 7.72 8.00 0.93 -4.33 116.55 122.45 3bdl n ASP 370 Ca -0.11 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 54.95 3bdl n ASP 370 Cb 0.62 1.05 -0.05 0.00 -0.02 0.00 0.00 41.12 42.72 3bdl n ASP 370 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bdl s ILE 371 N -3.32 5.04 -0.06 0.53 1.01 -0.76 -4.98 121.20 118.66 3bdl s ILE 371 Ca -0.00 1.41 -0.37 0.00 0.00 0.00 0.00 60.65 61.68 3bdl s ILE 371 Cb 0.13 -4.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 3bdl s ILE 371 CO 0.83 0.22 1.56 -2.65 0.00 0.00 0.00 174.94 174.90 3bdl n PRO 372 N 4.01 1.33 -0.87 2.79 -0.02 -1.26 -1.67 135.00 139.31 3bdl n PRO 372 Ca -0.01 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3bdl n PRO 372 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3bdl n PRO 372 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bdl n TYR 373 N 4.00 0.00 -0.14 6.00 4.02 -1.26 -4.77 117.16 125.01 3bdl n TYR 373 Ca 0.22 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.99 3bdl n TYR 373 Cb 0.19 -1.47 -0.01 0.00 -0.02 0.00 0.00 39.34 38.02 3bdl n TYR 373 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3bdl h MET 374 N 0.33 0.85 -0.26 -0.72 4.05 -1.59 -1.28 114.93 116.30 3bdl h MET 374 Ca 0.00 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.06 3bdl h MET 374 Cb 0.54 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3bdl h MET 374 CO 0.00 0.98 0.09 0.35 0.23 0.00 0.00 176.91 178.56 3bdl h PHE 375 N 0.67 0.41 -0.74 1.39 3.57 -1.72 0.21 116.94 120.73 3bdl h PHE 375 Ca 0.10 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3bdl h PHE 375 Cb 0.68 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 3bdl h PHE 375 CO 0.05 0.44 0.44 0.93 -2.23 0.00 0.00 178.31 177.94 3bdl h GLU 376 N 0.26 0.81 -0.23 1.11 3.07 -1.87 -0.23 114.58 117.51 3bdl h GLU 376 Ca 0.09 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 3bdl h GLU 376 Cb 0.21 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3bdl h GLU 376 CO -0.00 0.54 -0.01 0.00 -1.40 0.00 0.00 179.01 178.13 3bdl h ALA 377 N 1.35 0.31 -0.65 3.43 0.00 -0.96 -1.39 119.26 121.35 3bdl h ALA 377 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3bdl h ALA 377 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3bdl h ALA 377 CO -0.15 0.05 0.40 -0.09 0.00 0.00 0.00 179.25 179.45 3bdl h ARG 378 N 0.17 0.88 -0.39 0.00 1.12 -0.59 -1.96 114.38 113.61 3bdl h ARG 378 Ca 0.06 -0.08 -0.11 0.00 -1.11 0.00 0.00 59.98 58.75 3bdl h ARG 378 Cb 0.43 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 3bdl h ARG 378 CO 0.01 0.62 -0.19 0.93 -3.11 0.00 0.00 179.97 178.23 3bdl h GLU 379 N 0.88 0.74 -0.03 0.20 4.39 -1.00 0.11 114.58 119.88 3bdl h GLU 379 Ca 0.23 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3bdl h GLU 379 Cb -0.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3bdl h GLU 379 CO -0.04 0.88 0.02 0.35 -1.16 0.00 0.00 179.01 179.05 3bdl h PHE 380 N 0.65 0.03 -0.37 4.33 3.57 -0.89 -1.64 116.94 122.63 3bdl h PHE 380 Ca 0.10 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3bdl h PHE 380 Cb 0.68 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3bdl h PHE 380 CO 0.03 0.06 0.09 -0.07 -2.23 0.00 0.00 178.31 176.20 3bdl h LEU 381 N -0.00 0.56 0.13 0.59 3.38 -1.20 -2.69 115.31 116.08 3bdl h LEU 381 Ca 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3bdl h LEU 381 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3bdl h LEU 381 CO -0.00 0.64 -0.10 -0.09 0.09 0.00 0.00 178.44 178.99 3bdl h ARG 382 N 0.46 -0.23 -0.37 1.13 2.43 -0.67 0.93 114.38 118.06 3bdl h ARG 382 Ca 0.12 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3bdl h ARG 382 Cb 0.30 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3bdl h ARG 382 CO 0.00 -0.15 0.10 0.87 -1.51 0.00 0.00 179.97 179.28 3bdl h LYS 383 N -0.23 0.54 0.00 0.20 1.57 -1.34 -1.55 116.57 115.75 3bdl h LYS 383 Ca -0.01 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3bdl h LYS 383 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3bdl h LYS 383 CO -0.00 0.49 -1.09 -0.22 -0.57 0.00 0.00 179.45 178.06 3bdl h LYS 384 N 0.53 0.00 0.00 3.15 3.64 -1.23 -3.42 116.57 119.23 3bdl h LYS 384 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3bdl h LYS 384 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3bdl h LYS 384 CO -0.00 0.58 -1.25 1.28 -2.27 0.00 0.00 179.45 177.78 3bdl n LEU 385 N -3.14 0.00 -4.67 5.20 4.77 0.30 -4.91 117.00 114.55 3bdl n LEU 385 Ca -0.05 0.00 -0.55 0.00 -0.03 0.00 0.00 56.01 55.38 3bdl n LEU 385 Cb 0.87 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 3bdl n LEU 385 CO 0.44 0.09 1.20 0.00 -1.33 0.00 0.00 177.39 177.79 3bdl n ILE 386 N -2.12 0.22 -0.97 -0.08 0.13 -0.60 -0.45 119.36 115.50 3bdl n ILE 386 Ca -0.06 -0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 3bdl n ILE 386 Cb 0.60 -1.12 0.00 0.00 -0.84 0.00 0.00 39.64 38.28 3bdl n ILE 386 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3bdl n GLY 387 N 3.68 0.69 3.96 4.50 0.00 -0.17 -5.00 105.19 112.85 3bdl n GLY 387 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3bdl n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdl s LYS 388 N -0.16 3.26 -0.25 1.61 -0.14 0.41 -4.76 119.74 119.71 3bdl s LYS 388 Ca 0.00 -0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 53.56 3bdl s LYS 388 Cb 0.00 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 3bdl s LYS 388 CO 0.00 0.28 0.39 0.15 -0.76 0.00 0.00 175.35 175.41 3bdl s LYS 389 N -4.04 4.06 0.17 1.68 -0.14 -1.26 -0.48 119.74 119.72 3bdl s LYS 389 Ca 0.38 0.10 0.08 0.00 -1.36 0.00 0.00 55.97 55.17 3bdl s LYS 389 Cb -0.09 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 3bdl s LYS 389 CO 0.29 -0.23 -0.03 0.14 -0.76 0.00 0.00 175.35 174.77 3bdl s VAL 390 N 1.91 3.57 -0.19 3.17 -7.23 0.09 -4.90 120.40 116.82 3bdl s VAL 390 Ca 0.16 -1.45 -0.15 0.00 -1.81 0.00 0.00 61.98 58.73 3bdl s VAL 390 Cb -0.15 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 3bdl s VAL 390 CO 0.09 -0.08 0.37 0.20 -0.31 0.00 0.00 175.10 175.37 3bdl s ASN 391 N -2.82 6.42 -0.01 4.85 -0.87 0.46 -1.85 114.94 121.11 3bdl s ASN 391 Ca 0.26 0.50 0.08 0.00 -1.57 0.00 0.00 52.86 52.13 3bdl s ASN 391 Cb -0.09 -2.22 -0.02 0.00 -0.02 0.00 0.00 41.25 38.90 3bdl s ASN 391 CO 0.17 -0.03 -0.26 -0.69 -2.57 0.00 0.00 177.10 173.72 3bdl s VAL 392 N 1.12 2.06 -0.16 1.60 1.01 0.42 -0.90 120.40 125.55 3bdl s VAL 392 Ca 0.18 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 3bdl s VAL 392 Cb -0.14 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.58 3bdl s VAL 392 CO 0.07 0.55 0.07 -0.89 0.00 0.00 0.00 175.10 174.90 3bdl s THR 393 N -0.64 0.08 -0.01 3.92 2.01 -0.65 -1.82 115.64 118.54 3bdl s THR 393 Ca 0.10 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3bdl s THR 393 Cb -0.10 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 3bdl s THR 393 CO -0.01 -0.19 1.32 -0.69 -0.69 0.00 0.00 174.62 174.37 3bdl s VAL 394 N 2.07 3.89 -0.19 3.82 1.01 0.59 -0.47 120.40 131.12 3bdl s VAL 394 Ca 0.02 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.29 3bdl s VAL 394 Cb -0.16 -3.82 -0.21 0.00 0.00 0.00 0.00 36.38 32.19 3bdl s VAL 394 CO -0.08 0.01 0.07 0.47 0.00 0.00 0.00 175.10 175.57 3bdl n ASP 395 N 5.13 1.69 -3.66 3.32 8.00 0.50 -4.93 116.55 126.60 3bdl n ASP 395 Ca 0.12 0.03 -0.06 0.00 0.71 0.00 0.00 54.79 55.59 3bdl n ASP 395 Cb 0.45 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3bdl n ASP 395 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3bdl s TYR 396 N -2.53 -0.23 -0.09 1.24 1.13 -0.93 -4.78 117.35 111.17 3bdl s TYR 396 Ca -0.25 -0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.39 3bdl s TYR 396 Cb 0.08 0.60 0.02 0.00 -1.10 0.00 0.00 41.96 41.56 3bdl s TYR 396 CO 0.70 -0.76 -0.11 0.42 -2.51 0.00 0.00 175.55 173.30 3bdl s ILE 397 N -3.29 1.11 -0.22 -3.49 1.01 -1.26 -0.88 121.20 114.17 3bdl s ILE 397 Ca 0.09 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 3bdl s ILE 397 Cb -0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3bdl s ILE 397 CO -0.02 0.36 0.38 -0.13 0.00 0.00 0.00 174.94 175.53 3bdl s ARG 398 N 1.09 4.12 0.31 2.79 1.81 0.20 -4.95 118.95 124.32 3bdl s ARG 398 Ca -0.06 0.13 -0.01 0.00 -1.72 0.00 0.00 55.73 54.07 3bdl s ARG 398 Cb -0.14 -3.57 0.50 0.00 -0.45 0.00 0.00 34.95 31.29 3bdl s ARG 398 CO -0.01 -0.11 1.97 -1.35 -0.68 0.00 0.00 175.30 175.12 3bdl h PRO 399 N 7.61 0.99 -2.80 3.54 0.11 -1.90 0.12 132.00 139.67 3bdl h PRO 399 Ca -0.35 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.52 3bdl h PRO 399 Cb 1.16 -0.22 -0.30 0.00 0.11 0.00 0.00 31.00 31.75 3bdl h PRO 399 CO 0.69 0.67 -0.46 0.00 -0.21 0.00 0.00 178.00 178.70 3bdl s ALA 400 N -5.82 -0.74 0.35 -0.75 0.00 -1.26 -3.09 121.76 110.45 3bdl s ALA 400 Ca -0.11 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3bdl s ALA 400 Cb 0.18 -0.98 -0.10 0.00 0.00 0.00 0.00 23.12 22.22 3bdl s ALA 400 CO 0.78 -0.51 1.35 0.45 0.00 0.00 0.00 175.76 177.84 3bdl s SER 401 N 2.05 6.64 0.00 0.00 0.15 -0.29 -4.90 113.70 117.34 3bdl s SER 401 Ca -0.03 2.79 0.28 0.00 0.70 0.00 0.00 55.95 59.68 3bdl s SER 401 Cb -0.11 -2.65 0.98 0.00 -1.71 0.00 0.00 66.02 62.52 3bdl s SER 401 CO -0.10 -0.64 1.70 -0.81 1.20 0.00 0.00 173.24 174.59 3bdl n PRO 402 N 0.68 1.37 -1.69 5.44 -0.04 -1.26 -4.78 135.00 134.71 3bdl n PRO 402 Ca 0.00 -0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 62.27 3bdl n PRO 402 Cb 0.41 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3bdl n PRO 402 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bdl n ALA 403 N -0.13 1.20 -0.17 0.55 0.00 -1.26 -4.90 120.51 115.80 3bdl n ALA 403 Ca 0.17 0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 3bdl n ALA 403 Cb 0.35 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.56 3bdl n ALA 403 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3bdl h THR 404 N 1.99 1.14 -3.57 0.00 2.02 -2.02 -3.38 112.91 109.08 3bdl h THR 404 Ca -0.48 -0.28 -0.71 0.00 0.77 0.00 0.00 66.41 65.71 3bdl h THR 404 Cb 1.30 0.43 -0.24 0.00 -1.74 0.00 0.00 68.15 67.90 3bdl h THR 404 CO 0.59 0.14 -0.50 -1.61 0.37 0.00 0.00 175.52 174.51 3bdl s GLU 405 N -6.09 2.83 0.06 6.66 8.01 -1.26 -5.05 118.70 123.86 3bdl s GLU 405 Ca -0.13 -1.08 -0.04 0.00 0.01 0.00 0.00 54.97 53.73 3bdl s GLU 405 Cb 0.12 -3.77 -0.02 0.00 -4.31 0.00 0.00 34.13 26.15 3bdl s GLU 405 CO 0.74 -0.71 0.05 0.95 0.01 0.00 0.00 175.26 176.30 3bdl s THR 406 N 1.57 0.18 -0.13 3.63 -4.23 -1.26 -5.14 115.64 110.26 3bdl s THR 406 Ca 0.02 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3bdl s THR 406 Cb -0.19 -1.38 0.06 0.00 1.34 0.00 0.00 72.50 72.33 3bdl s THR 406 CO 0.07 -0.84 0.11 -0.69 -0.54 0.00 0.00 174.62 172.73 3bdl s VAL 407 N -3.73 -0.15 0.00 2.29 1.01 -1.26 -4.28 120.40 114.29 3bdl s VAL 407 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3bdl s VAL 407 Cb 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3bdl s VAL 407 CO -0.10 -0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.08 3bdl n PRO 408 N 5.30 -0.05 0.27 2.72 -0.04 -1.26 -4.90 135.00 137.03 3bdl n PRO 408 Ca -0.06 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 3bdl n PRO 408 Cb 0.49 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.72 3bdl n PRO 408 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bdl h ALA 409 N -2.00 1.33 -3.63 0.55 0.00 -2.01 -3.33 119.26 110.18 3bdl h ALA 409 Ca 0.00 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 54.18 3bdl h ALA 409 Cb 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 3bdl h ALA 409 CO 0.00 0.12 -0.73 -0.06 0.00 0.00 0.00 179.25 178.58 3bdl s PHE 410 N -4.28 3.41 -0.21 0.00 0.08 -1.26 -4.89 117.98 110.83 3bdl s PHE 410 Ca -0.03 -2.75 0.01 0.00 0.12 0.00 0.00 56.93 54.27 3bdl s PHE 410 Cb 0.14 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.97 3bdl s PHE 410 CO 0.58 -0.93 -0.09 0.45 -0.10 0.00 0.00 175.22 175.13 3bdl s SER 411 N 1.03 3.51 0.64 1.36 0.15 -1.25 -4.98 113.70 114.16 3bdl s SER 411 Ca 0.09 -0.96 -0.17 0.00 0.70 0.00 0.00 55.95 55.60 3bdl s SER 411 Cb -0.19 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 3bdl s SER 411 CO -0.10 -0.17 1.21 -0.70 1.20 0.00 0.00 173.24 174.68 3bdl s GLU 412 N 1.39 2.71 -0.10 5.44 2.12 -1.18 -1.14 118.70 127.95 3bdl s GLU 412 Ca -0.02 1.81 -0.01 0.00 0.36 0.00 0.00 54.97 57.10 3bdl s GLU 412 Cb -0.17 -1.90 0.03 0.00 0.26 0.00 0.00 34.13 32.35 3bdl s GLU 412 CO -0.08 -1.41 -0.02 1.03 -0.54 0.00 0.00 175.26 174.25 3bdl s ARG 413 N -3.54 0.90 -0.38 4.30 1.81 0.03 -4.86 118.95 117.21 3bdl s ARG 413 Ca 0.76 -0.07 -0.18 0.00 -1.72 0.00 0.00 55.73 54.53 3bdl s ARG 413 Cb -0.30 -1.29 0.01 0.00 -0.45 0.00 0.00 34.95 32.91 3bdl s ARG 413 CO 0.37 -0.33 0.48 0.99 -0.68 0.00 0.00 175.30 176.13 3bdl s THR 414 N 1.87 5.04 -0.20 0.02 2.01 -1.26 -0.63 115.64 122.49 3bdl s THR 414 Ca 0.04 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 3bdl s THR 414 Cb -0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3bdl s THR 414 CO -0.06 -0.32 0.05 0.00 -0.69 0.00 0.00 174.62 173.60 3bdl s ALA 416 N 0.85 1.36 -0.19 0.00 0.00 0.24 -0.37 121.76 123.65 3bdl s ALA 416 Ca 0.03 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 3bdl s ALA 416 Cb -0.14 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 3bdl s ALA 416 CO 0.02 -0.50 0.42 0.99 0.00 0.00 0.00 175.76 176.70 3bdl s THR 417 N -3.94 5.19 -0.14 0.00 2.01 0.38 -1.17 115.64 117.98 3bdl s THR 417 Ca 0.35 0.76 0.02 0.00 0.31 0.00 0.00 61.69 63.13 3bdl s THR 417 Cb 0.07 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3bdl s THR 417 CO 0.10 0.25 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 3bdl s VAL 418 N 1.25 2.27 0.08 3.82 1.01 -1.26 -1.63 120.40 125.94 3bdl s VAL 418 Ca 0.20 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3bdl s VAL 418 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3bdl s VAL 418 CO 0.08 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.72 3bdl s THR 419 N 0.71 0.97 -0.19 3.92 2.01 -0.08 -1.23 115.64 121.75 3bdl s THR 419 Ca -0.09 -1.43 -0.10 0.00 0.31 0.00 0.00 61.69 60.39 3bdl s THR 419 Cb -0.16 -1.14 0.07 0.00 0.01 0.00 0.00 72.50 71.28 3bdl s THR 419 CO 0.01 -0.39 0.45 -0.51 -0.69 0.00 0.00 174.62 173.49 3bdl s ILE 420 N -1.80 -0.08 -1.64 1.82 2.07 -0.69 -0.41 121.20 120.46 3bdl s ILE 420 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 3bdl s ILE 420 Cb -0.07 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.85 3bdl s ILE 420 CO 0.01 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3bdl n GLY 421 N 4.38 0.01 1.88 1.50 0.00 -1.26 -0.87 105.19 110.82 3bdl n GLY 421 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3bdl n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdl n GLY 422 N -0.81 0.80 3.56 -0.02 0.00 -1.26 -5.03 105.19 102.43 3bdl n GLY 422 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3bdl n GLY 422 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdl s ILE 423 N -3.07 4.89 -0.34 -0.61 -1.09 -0.05 -5.05 121.20 115.87 3bdl s ILE 423 Ca 0.00 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.15 3bdl s ILE 423 Cb 0.00 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 3bdl s ILE 423 CO 0.00 0.33 1.06 0.21 -1.23 0.00 0.00 174.94 175.32 3bdl s ASN 424 N 1.34 6.87 0.20 3.58 3.84 -1.26 -1.70 114.94 127.81 3bdl s ASN 424 Ca 0.06 0.94 -0.10 0.00 0.21 0.00 0.00 52.86 53.97 3bdl s ASN 424 Cb -0.15 -2.53 0.20 0.00 -0.55 0.00 0.00 41.25 38.22 3bdl s ASN 424 CO 0.06 -0.91 1.82 0.40 -2.79 0.00 0.00 177.10 175.67 3bdl h ILE 425 N 5.79 1.01 -0.76 -5.21 1.08 -1.55 -1.19 117.51 116.67 3bdl h ILE 425 Ca -0.21 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 3bdl h ILE 425 Cb 1.06 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 3bdl h ILE 425 CO 1.04 0.13 0.27 0.00 -0.69 0.00 0.00 178.15 178.89 3bdl h ALA 426 N 1.31 1.04 -0.64 1.87 0.00 -1.92 -1.73 119.26 119.19 3bdl h ALA 426 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bdl h ALA 426 Cb 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3bdl h ALA 426 CO -0.15 0.66 0.26 1.49 0.00 0.00 0.00 179.25 181.51 3bdl h GLU 427 N 1.12 0.95 -0.63 0.00 4.81 -1.78 -1.02 114.58 118.04 3bdl h GLU 427 Ca 0.25 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3bdl h GLU 427 Cb 0.26 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3bdl h GLU 427 CO -0.01 0.80 0.19 0.00 -0.73 0.00 0.00 179.01 179.26 3bdl h ALA 428 N 1.11 0.82 -0.29 2.92 0.00 -0.90 -1.37 119.26 121.55 3bdl h ALA 428 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3bdl h ALA 428 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3bdl h ALA 428 CO -0.02 0.50 0.10 -0.07 0.00 0.00 0.00 179.25 179.75 3bdl h LEU 429 N 0.90 0.42 -0.88 0.00 3.38 -1.06 -2.96 115.31 115.12 3bdl h LEU 429 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bdl h LEU 429 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3bdl h LEU 429 CO -0.01 0.51 0.54 0.58 0.09 0.00 0.00 178.44 180.16 3bdl h VAL 430 N 0.32 1.24 0.00 1.22 2.07 -1.04 0.41 116.25 120.47 3bdl h VAL 430 Ca 0.10 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3bdl h VAL 430 Cb 0.23 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3bdl h VAL 430 CO -0.00 0.25 -0.08 0.77 0.02 0.00 0.00 177.57 178.53 3bdl h SER 431 N 1.21 0.00 -0.30 0.57 4.64 -1.12 -1.11 113.55 117.45 3bdl h SER 431 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3bdl h SER 431 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3bdl h SER 431 CO -0.06 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3bdl n LYS 432 N -3.48 2.44 -1.60 4.77 5.02 -0.88 -3.81 118.16 120.63 3bdl n LYS 432 Ca -0.02 -2.16 -0.13 0.00 -2.02 0.00 0.00 58.31 53.99 3bdl n LYS 432 Cb 0.22 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 3bdl n LYS 432 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdl n GLY 433 N 1.46 0.95 0.78 0.72 0.00 -0.42 -2.59 105.19 106.08 3bdl n GLY 433 Ca 0.18 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3bdl n GLY 433 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bdl n LEU 434 N -1.53 2.37 -3.45 0.99 4.77 0.08 -0.98 117.00 119.24 3bdl n LEU 434 Ca -0.13 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.79 3bdl n LEU 434 Cb 0.47 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3bdl n LEU 434 CO 0.19 0.46 0.41 0.00 -1.33 0.00 0.00 177.39 177.12 3bdl s ALA 435 N -1.80 -1.63 0.11 -1.18 0.00 -1.22 -4.35 121.76 111.69 3bdl s ALA 435 Ca 0.34 0.70 0.09 0.00 0.00 0.00 0.00 51.96 53.09 3bdl s ALA 435 Cb 0.20 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3bdl s ALA 435 CO 0.30 -0.66 -0.22 0.95 0.00 0.00 0.00 175.76 176.12 3bdl s THR 436 N -3.08 1.86 0.07 0.00 -4.23 -0.61 -4.30 115.64 105.34 3bdl s THR 436 Ca -0.02 -1.62 -0.27 0.00 -1.18 0.00 0.00 61.69 58.60 3bdl s THR 436 Cb -0.01 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 3bdl s THR 436 CO -0.07 -0.03 0.85 -0.69 -0.54 0.00 0.00 174.62 174.14 3bdl s VAL 437 N -1.18 4.65 0.19 2.29 1.01 -1.26 -0.46 120.40 125.64 3bdl s VAL 437 Ca 0.09 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 3bdl s VAL 437 Cb -0.10 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 3bdl s VAL 437 CO 0.05 0.33 1.08 -0.63 0.00 0.00 0.00 175.10 175.93 3bdl s ILE 438 N 0.05 3.89 0.03 2.22 1.01 -0.26 -4.91 121.20 123.23 3bdl s ILE 438 Ca 0.43 1.66 -0.01 0.00 0.00 0.00 0.00 60.65 62.73 3bdl s ILE 438 Cb -0.22 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3bdl s ILE 438 CO 0.26 0.30 0.17 -0.13 0.00 0.00 0.00 174.94 175.54 3bdl s ARG 439 N -0.49 3.35 -0.07 2.79 1.81 -1.26 -4.95 118.95 120.13 3bdl s ARG 439 Ca 0.48 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 54.11 3bdl s ARG 439 Cb -0.29 -3.01 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 3bdl s ARG 439 CO 0.35 0.63 -0.20 0.71 -0.68 0.00 0.00 175.30 176.11 3bdl s TYR 440 N -1.40 2.58 0.07 -0.53 2.02 -1.26 -5.03 117.35 113.80 3bdl s TYR 440 Ca 0.30 -0.55 -0.15 0.00 -0.37 0.00 0.00 57.07 56.30 3bdl s TYR 440 Cb -0.13 -1.66 -0.20 0.00 -0.40 0.00 0.00 41.96 39.58 3bdl s TYR 440 CO 0.23 -0.11 1.22 0.00 -1.57 0.00 0.00 175.55 175.32 3bdl h ARG 441 N 6.00 0.66 -6.22 -0.62 3.08 -1.99 -3.45 114.38 111.84 3bdl h ARG 441 Ca -0.34 -0.61 -0.68 0.00 0.07 0.00 0.00 59.98 58.42 3bdl h ARG 441 Cb 1.18 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 31.20 3bdl h ARG 441 CO 0.50 1.22 -0.70 -0.65 -1.07 0.00 0.00 179.97 179.26 3bdl s GLN 442 N -3.52 2.65 0.17 0.04 1.11 -1.26 -4.99 119.66 113.86 3bdl s GLN 442 Ca -0.11 -0.63 0.19 0.00 0.01 0.00 0.00 55.36 54.81 3bdl s GLN 442 Cb 0.07 -2.55 0.82 0.00 -1.01 0.00 0.00 33.01 30.34 3bdl s GLN 442 CO 0.88 0.63 1.58 -0.25 0.01 0.00 0.00 175.29 178.15 3bdl n ASP 443 N 1.89 0.41 0.01 5.90 8.00 -1.26 -1.87 116.55 129.62 3bdl n ASP 443 Ca -0.17 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.08 3bdl n ASP 443 Cb 0.53 -0.70 0.34 0.00 -0.02 0.00 0.00 41.12 41.27 3bdl n ASP 443 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bdl n ASP 444 N -1.97 0.40 -4.75 -2.24 8.00 -1.26 -4.90 116.55 109.83 3bdl n ASP 444 Ca 0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 3bdl n ASP 444 Cb 0.17 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 3bdl n ASP 444 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bdl s ASP 445 N -3.16 6.62 0.29 -2.24 1.01 -0.78 -4.95 116.67 113.45 3bdl s ASP 445 Ca 0.11 2.73 -0.29 0.00 0.71 0.00 0.00 52.55 55.81 3bdl s ASP 445 Cb 0.17 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 3bdl s ASP 445 CO 0.66 -0.71 1.35 -1.10 0.21 0.00 0.00 175.17 175.58 3bdl s GLN 446 N -0.74 4.33 0.31 8.23 -0.21 -1.26 -5.01 119.66 125.31 3bdl s GLN 446 Ca 0.58 2.22 -0.08 0.00 0.02 0.00 0.00 55.36 58.09 3bdl s GLN 446 Cb -0.42 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.49 3bdl s GLN 446 CO 0.47 -0.27 0.52 -0.98 -2.12 0.00 0.00 175.29 172.90 3bdl s ARG 447 N -1.09 1.81 0.52 2.91 1.70 -1.26 -5.00 118.95 118.54 3bdl s ARG 447 Ca 0.53 -1.52 -0.20 0.00 -0.47 0.00 0.00 55.73 54.07 3bdl s ARG 447 Cb -0.40 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.37 3bdl s ARG 447 CO 0.48 -0.77 0.79 0.45 -1.08 0.00 0.00 175.30 175.17 3bdl n SER 448 N -1.00 0.14 -0.16 -2.89 2.88 -1.26 -4.81 113.62 106.52 3bdl n SER 448 Ca -0.01 0.86 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 3bdl n SER 448 Cb 0.61 -1.28 0.70 0.00 -0.75 0.00 0.00 64.21 63.50 3bdl n SER 448 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3bdl n SER 449 N 0.22 0.50 -1.90 -3.46 3.41 -1.26 -3.08 113.62 108.05 3bdl n SER 449 Ca 0.12 -1.29 -0.05 0.00 -0.26 0.00 0.00 58.87 57.39 3bdl n SER 449 Cb 0.44 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.45 3bdl n SER 449 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bdl n HIS 450 N -0.56 1.16 -0.19 7.33 8.25 -1.26 -4.91 115.22 125.04 3bdl n HIS 450 Ca 0.20 -1.69 -0.02 0.00 -0.26 0.00 0.00 57.72 55.95 3bdl n HIS 450 Cb 0.17 -0.25 0.08 0.00 1.12 0.00 0.00 29.99 31.12 3bdl n HIS 450 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3bdl h TYR 451 N 1.84 0.47 -0.31 4.41 3.20 -1.91 -1.94 116.97 122.72 3bdl h TYR 451 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3bdl h TYR 451 Cb 1.43 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 3bdl h TYR 451 CO 0.58 0.19 0.19 -0.44 -1.64 0.00 0.00 178.16 177.04 3bdl h ASP 452 N 0.49 0.36 0.25 -2.11 3.32 -1.91 -1.00 116.42 115.82 3bdl h ASP 452 Ca 0.27 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3bdl h ASP 452 Cb 0.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3bdl h ASP 452 CO -0.22 0.28 -0.55 -0.33 -1.72 0.00 0.00 179.24 176.70 3bdl h GLU 453 N 0.43 0.32 -0.33 3.56 5.08 -1.78 -1.93 114.58 119.93 3bdl h GLU 453 Ca 0.11 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3bdl h GLU 453 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3bdl h GLU 453 CO -0.02 0.79 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.68 3bdl h LEU 454 N 0.25 0.60 -1.16 1.33 3.38 -0.71 -1.70 115.31 117.29 3bdl h LEU 454 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3bdl h LEU 454 Cb 1.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3bdl h LEU 454 CO 0.09 0.78 -0.13 -0.07 0.09 0.00 0.00 178.44 179.21 3bdl h LEU 455 N 0.40 0.42 -0.88 1.67 3.38 -1.25 -1.04 115.31 118.00 3bdl h LEU 455 Ca 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3bdl h LEU 455 Cb 0.49 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3bdl h LEU 455 CO 0.02 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 179.05 3bdl h ALA 456 N 1.47 1.06 -0.27 1.53 0.00 -1.16 -1.91 119.26 119.98 3bdl h ALA 456 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3bdl h ALA 456 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3bdl h ALA 456 CO 0.03 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 3bdl h ALA 457 N 1.23 0.98 -0.47 0.00 0.00 -0.48 -2.79 119.26 117.73 3bdl h ALA 457 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3bdl h ALA 457 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3bdl h ALA 457 CO 0.03 0.60 -0.07 1.49 0.00 0.00 0.00 179.25 181.30 3bdl h GLU 458 N 0.48 0.83 -0.66 0.00 4.81 -0.71 -1.63 114.58 117.71 3bdl h GLU 458 Ca 0.06 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3bdl h GLU 458 Cb 0.76 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3bdl h GLU 458 CO 0.06 0.88 0.36 0.00 -0.73 0.00 0.00 179.01 179.58 3bdl h ALA 459 N 1.16 1.40 -0.26 2.92 0.00 -1.11 -0.31 119.26 123.06 3bdl h ALA 459 Ca 0.13 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3bdl h ALA 459 Cb 0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3bdl h ALA 459 CO 0.03 0.50 -0.32 0.00 0.00 0.00 0.00 179.25 179.46 3bdl h ARG 460 N 0.91 0.68 -0.84 0.00 3.08 -1.21 0.62 114.38 117.61 3bdl h ARG 460 Ca 0.23 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3bdl h ARG 460 Cb 0.02 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3bdl h ARG 460 CO -0.04 0.99 0.55 0.00 -1.07 0.00 0.00 179.97 180.41 3bdl h ALA 461 N 0.68 1.09 0.07 0.04 0.00 -0.82 0.12 119.26 120.43 3bdl h ALA 461 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bdl h ALA 461 Cb 0.90 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3bdl h ALA 461 CO 0.08 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 3bdl h ILE 462 N 1.10 1.16 -0.66 0.00 2.04 -0.95 0.12 117.51 120.32 3bdl h ILE 462 Ca 0.32 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3bdl h ILE 462 Cb -0.06 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3bdl h ILE 462 CO -0.09 0.20 0.29 0.50 0.00 0.00 0.00 178.15 179.05 3bdl h LYS 463 N -0.46 0.49 -0.10 2.37 3.64 -0.59 -1.82 116.57 120.09 3bdl h LYS 463 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3bdl h LYS 463 Cb 0.40 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3bdl h LYS 463 CO 0.01 0.32 0.00 0.09 -2.27 0.00 0.00 179.45 177.61 3bdl n ASN 464 N -4.93 1.77 -3.61 4.20 3.02 0.39 -4.97 115.26 111.12 3bdl n ASN 464 Ca 0.10 -1.65 -0.27 0.00 -0.03 0.00 0.00 54.58 52.73 3bdl n ASN 464 Cb 0.28 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.43 3bdl n ASN 464 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bdl n GLY 465 N 1.18 -0.90 3.74 7.41 0.00 0.23 -4.98 105.19 111.87 3bdl n GLY 465 Ca 0.17 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 3bdl n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdl s LYS 466 N -5.70 2.91 4.81 1.61 1.02 -0.10 -3.83 119.74 120.46 3bdl s LYS 466 Ca 0.39 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.80 3bdl s LYS 466 Cb -0.12 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3bdl s LYS 466 CO 0.83 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 176.29 3bdl n GLY 467 N 1.10 3.37 0.17 -3.33 0.00 -1.07 -1.01 105.19 104.41 3bdl n GLY 467 Ca -0.13 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3bdl n GLY 467 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bdl h LEU 468 N 0.00 0.00 -1.42 0.99 3.38 -1.32 -0.96 115.31 115.99 3bdl h LEU 468 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bdl h LEU 468 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3bdl h LEU 468 CO 0.00 0.00 -0.12 1.41 0.09 0.00 0.00 178.44 179.82 3bdl n HIS 469 N -2.35 0.00 -2.28 1.13 8.25 -0.18 -4.93 115.22 114.86 3bdl n HIS 469 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 3bdl n HIS 469 Cb 0.11 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3bdl n HIS 469 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3bdl s SER 470 N -2.14 6.18 0.00 0.41 0.15 -0.37 -4.41 113.70 113.53 3bdl s SER 470 Ca 0.28 1.76 0.17 0.00 0.70 0.00 0.00 55.95 58.86 3bdl s SER 470 Cb 0.20 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 3bdl s SER 470 CO 0.38 -0.89 0.97 0.29 1.20 0.00 0.00 173.24 175.19 3bdl n LYS 471 N -1.63 1.47 -1.48 5.44 4.76 -1.26 -4.97 118.16 120.49 3bdl n LYS 471 Ca 0.08 -1.25 -0.31 0.00 -2.87 0.00 0.00 58.31 53.97 3bdl n LYS 471 Cb 0.53 -1.30 0.08 0.00 -1.84 0.00 0.00 35.03 32.49 3bdl n LYS 471 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3bdl s LYS 472 N -1.58 2.43 0.27 1.97 1.02 -1.26 -4.96 119.74 117.63 3bdl s LYS 472 Ca 0.17 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.76 3bdl s LYS 472 Cb 0.14 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.37 3bdl s LYS 472 CO 0.28 -1.44 1.18 -1.91 -0.92 0.00 0.00 175.35 172.54 3bdl n GLU 473 N -3.35 1.62 -2.23 1.68 2.13 -1.26 -4.89 120.64 114.33 3bdl n GLU 473 Ca 0.08 0.57 -0.42 0.00 0.66 0.00 0.00 57.16 58.05 3bdl n GLU 473 Cb 0.54 -2.06 -0.03 0.00 0.27 0.00 0.00 31.44 30.16 3bdl n GLU 473 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3bdl s VAL 474 N -0.70 3.34 0.18 6.31 1.01 -1.26 -4.96 120.40 124.32 3bdl s VAL 474 Ca 0.62 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 63.34 3bdl s VAL 474 Cb -0.69 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 3bdl s VAL 474 CO 0.57 0.13 1.52 -2.84 0.00 0.00 0.00 175.10 174.48 3bdl s PRO 475 N 0.35 4.23 -0.13 2.72 0.02 -1.26 -5.00 135.00 135.94 3bdl s PRO 475 Ca 0.59 2.33 -0.05 0.00 0.02 0.00 0.00 61.00 63.88 3bdl s PRO 475 Cb -0.36 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3bdl s PRO 475 CO 0.35 -0.55 0.07 0.42 -0.33 0.00 0.00 177.00 176.96 3bdl s ILE 476 N 0.84 4.88 -0.19 2.83 -1.09 -1.26 -4.77 121.20 122.45 3bdl s ILE 476 Ca 0.67 -0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 3bdl s ILE 476 Cb -0.43 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3bdl s ILE 476 CO 0.34 0.57 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.49 3bdl s HIS 477 N -0.54 2.84 -0.23 3.97 3.76 -1.26 -5.09 115.29 118.74 3bdl s HIS 477 Ca 0.11 -1.25 -0.04 0.00 -0.15 0.00 0.00 55.06 53.73 3bdl s HIS 477 Cb -0.12 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 3bdl s HIS 477 CO 0.02 -0.63 -0.02 1.03 -0.85 0.00 0.00 174.74 174.29 3bdl s ARG 478 N 1.24 3.34 -0.10 1.40 0.52 -1.26 -4.84 118.95 119.24 3bdl s ARG 478 Ca 0.03 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3bdl s ARG 478 Cb -0.14 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.28 3bdl s ARG 478 CO -0.06 -0.24 -0.04 0.08 0.02 0.00 0.00 175.30 175.05 3bdl s VAL 479 N 1.49 0.80 0.57 3.52 1.01 -1.26 -4.92 120.40 121.60 3bdl s VAL 479 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3bdl s VAL 479 Cb -0.15 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 3bdl s VAL 479 CO -0.02 0.30 1.01 0.00 0.00 0.00 0.00 175.10 176.39 3bdl s ALA 480 N 1.80 3.06 -0.18 5.51 0.00 -0.55 -4.92 121.76 126.49 3bdl s ALA 480 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 3bdl s ALA 480 Cb -0.13 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.95 3bdl s ALA 480 CO -0.07 -0.49 0.08 0.34 0.00 0.00 0.00 175.76 175.61 3bdl s ASP 481 N -3.61 2.48 -0.27 0.00 3.68 -1.26 -0.66 116.67 117.04 3bdl s ASP 481 Ca 0.57 -0.67 0.11 0.00 2.13 0.00 0.00 52.55 54.69 3bdl s ASP 481 Cb -0.11 -0.31 0.55 0.00 -1.45 0.00 0.00 42.92 41.60 3bdl s ASP 481 CO 0.43 -0.34 1.52 2.30 0.13 0.00 0.00 175.17 179.20 3bdl n ILE 482 N 5.23 2.55 -1.70 4.11 -5.35 -0.41 -4.95 119.36 118.84 3bdl n ILE 482 Ca -0.07 -2.30 -0.43 0.00 -0.27 0.00 0.00 62.75 59.67 3bdl n ILE 482 Cb 0.48 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 3bdl n ILE 482 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3bdl n SER 483 N -0.85 3.75 -3.68 7.28 7.64 -1.23 -2.74 113.62 123.78 3bdl n SER 483 Ca 0.32 1.06 -0.27 0.00 1.01 0.00 0.00 58.87 60.99 3bdl n SER 483 Cb 1.07 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 3bdl n SER 483 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bdl n GLY 484 N 3.85 -0.46 3.06 0.23 0.00 -1.25 -4.91 105.19 105.71 3bdl n GLY 484 Ca 0.17 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3bdl n GLY 484 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bdl s ASP 485 N -2.84 4.91 0.15 1.61 3.68 -1.11 -4.67 116.67 118.40 3bdl s ASP 485 Ca 0.51 -2.07 -0.21 0.00 2.13 0.00 0.00 52.55 52.92 3bdl s ASP 485 Cb -0.28 -1.69 0.05 0.00 -1.45 0.00 0.00 42.92 39.54 3bdl s ASP 485 CO 0.63 -0.42 1.65 0.74 0.13 0.00 0.00 175.17 177.90 3bdl h THR 486 N 6.54 0.48 -0.46 1.71 2.02 -1.85 0.11 112.91 121.46 3bdl h THR 486 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3bdl h THR 486 Cb 1.03 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3bdl h THR 486 CO 0.57 0.00 0.23 1.56 0.37 0.00 0.00 175.52 178.25 3bdl h GLN 487 N -0.16 0.66 -0.60 6.66 4.20 -1.95 -1.98 115.11 121.93 3bdl h GLN 487 Ca 0.15 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3bdl h GLN 487 Cb 0.39 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3bdl h GLN 487 CO -0.38 0.55 -0.01 0.87 -0.67 0.00 0.00 178.83 179.19 3bdl h LYS 488 N 0.60 1.06 -0.93 1.46 1.57 -1.88 -2.96 116.57 115.49 3bdl h LYS 488 Ca 0.16 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3bdl h LYS 488 Cb 0.11 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3bdl h LYS 488 CO -0.02 1.04 0.59 0.00 -0.57 0.00 0.00 179.45 180.49 3bdl h ALA 489 N 1.01 1.19 -0.28 3.86 0.00 -0.56 -1.70 119.26 122.78 3bdl h ALA 489 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3bdl h ALA 489 Cb 0.57 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3bdl h ALA 489 CO 0.03 0.62 0.10 0.87 0.00 0.00 0.00 179.25 180.87 3bdl h LYS 490 N 1.28 0.39 -0.15 0.00 1.57 -1.21 0.73 116.57 119.18 3bdl h LYS 490 Ca 0.34 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3bdl h LYS 490 Cb -0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3bdl h LYS 490 CO -0.07 0.34 -0.42 1.96 -0.57 0.00 0.00 179.45 180.69 3bdl h GLN 491 N 0.39 0.35 0.00 3.15 4.20 -1.18 -3.27 115.11 118.75 3bdl h GLN 491 Ca 0.10 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3bdl h GLN 491 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3bdl h GLN 491 CO -0.01 0.72 -1.32 1.19 -0.67 0.00 0.00 178.83 178.74 3bdl n PHE 492 N -4.01 0.83 -0.23 2.96 3.72 -0.77 -4.62 117.46 115.33 3bdl n PHE 492 Ca -0.02 0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3bdl n PHE 492 Cb 0.50 -0.95 -0.08 0.00 -0.94 0.00 0.00 39.48 38.01 3bdl n PHE 492 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3bdl h LEU 493 N 0.00 -1.86 -1.21 4.37 5.85 -0.93 -1.04 115.31 120.50 3bdl h LEU 493 Ca -0.08 0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3bdl h LEU 493 Cb 1.26 0.80 -0.05 0.00 0.37 0.00 0.00 40.66 43.03 3bdl h LEU 493 CO 0.02 -0.34 0.56 1.55 -0.34 0.00 0.00 178.44 179.88 3bdl h PRO 494 N -0.25 0.93 -0.32 5.25 0.13 -1.82 -0.06 132.00 135.86 3bdl h PRO 494 Ca 0.13 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 3bdl h PRO 494 Cb 0.54 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3bdl h PRO 494 CO -0.72 0.61 -0.04 0.74 -0.23 0.00 0.00 178.00 178.37 3bdl h PHE 495 N 0.95 0.66 -0.32 1.56 0.04 -1.64 -1.37 116.94 116.82 3bdl h PHE 495 Ca 0.37 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 3bdl h PHE 495 Cb 0.21 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3bdl h PHE 495 CO -0.00 0.74 -0.23 -0.07 -0.60 0.00 0.00 178.31 178.15 3bdl h LEU 496 N 0.39 0.62 -0.46 1.54 3.38 -0.74 -1.30 115.31 118.75 3bdl h LEU 496 Ca 0.09 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3bdl h LEU 496 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3bdl h LEU 496 CO 0.02 0.84 0.07 1.56 0.09 0.00 0.00 178.44 181.02 3bdl h GLN 497 N 0.54 0.76 0.00 1.13 4.20 -0.90 -2.99 115.11 117.86 3bdl h GLN 497 Ca 0.08 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3bdl h GLN 497 Cb 0.69 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3bdl h GLN 497 CO 0.05 0.78 -0.28 0.00 -0.67 0.00 0.00 178.83 178.71 3bdl h ARG 498 N 0.62 0.00 0.00 1.46 3.08 -1.00 -3.10 114.38 115.44 3bdl h ARG 498 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3bdl h ARG 498 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3bdl h ARG 498 CO 0.01 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3bdl n ALA 499 N -2.28 1.74 -0.51 0.04 0.00 -0.51 -4.97 120.51 114.01 3bdl n ALA 499 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bdl n ALA 499 Cb 0.43 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3bdl n ALA 499 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdl n GLY 500 N 0.16 2.31 3.64 0.00 0.00 -1.17 -4.56 105.19 105.56 3bdl n GLY 500 Ca 0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3bdl n GLY 500 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdl s ARG 501 N 0.00 4.18 -0.04 1.61 1.81 -1.26 -4.30 118.95 120.95 3bdl s ARG 501 Ca 0.00 0.91 -0.00 0.00 -1.72 0.00 0.00 55.73 54.91 3bdl s ARG 501 Cb 0.00 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 3bdl s ARG 501 CO 0.00 -0.50 0.02 -1.12 -0.68 0.00 0.00 175.30 173.02 3bdl s SER 502 N 1.35 5.30 0.32 0.23 0.01 0.09 -4.85 113.70 116.14 3bdl s SER 502 Ca 0.34 0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.42 3bdl s SER 502 Cb -0.15 -1.46 -0.09 0.00 0.21 0.00 0.00 66.02 64.52 3bdl s SER 502 CO 0.07 0.32 1.05 -1.61 0.41 0.00 0.00 173.24 173.49 3bdl s GLU 503 N -1.29 4.51 0.15 12.44 2.02 -1.26 -1.00 118.70 134.27 3bdl s GLU 503 Ca 0.17 1.65 -0.17 0.00 0.02 0.00 0.00 54.97 56.64 3bdl s GLU 503 Cb -0.12 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.18 3bdl s GLU 503 CO 0.07 0.14 0.45 0.00 0.02 0.00 0.00 175.26 175.95 3bdl s ALA 504 N -1.35 -0.99 -0.09 5.21 0.00 -0.42 -4.15 121.76 119.96 3bdl s ALA 504 Ca 0.49 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.43 3bdl s ALA 504 Cb -0.27 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3bdl s ALA 504 CO 0.35 -0.70 -0.18 0.08 0.00 0.00 0.00 175.76 175.31 3bdl s VAL 505 N -3.82 1.66 -0.29 0.00 1.01 0.12 -0.43 120.40 118.65 3bdl s VAL 505 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3bdl s VAL 505 Cb 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3bdl s VAL 505 CO -0.10 0.47 1.28 -0.69 0.00 0.00 0.00 175.10 176.06 3bdl s VAL 506 N 0.61 4.19 -0.13 2.92 1.01 -1.00 -0.86 120.40 127.14 3bdl s VAL 506 Ca -0.14 1.35 0.18 0.00 0.00 0.00 0.00 61.98 63.37 3bdl s VAL 506 Cb -0.16 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 3bdl s VAL 506 CO 0.04 -0.45 0.45 -0.62 0.00 0.00 0.00 175.10 174.52 3bdl n GLU 507 N 7.22 0.66 -3.65 2.72 -0.58 -0.44 0.01 120.64 126.58 3bdl n GLU 507 Ca 0.14 0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.79 3bdl n GLU 507 Cb 0.46 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 3bdl n GLU 507 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3bdl s TYR 508 N -2.82 -0.43 -0.23 -0.32 5.04 -1.09 -4.87 117.35 112.62 3bdl s TYR 508 Ca -0.07 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3bdl s TYR 508 Cb 0.08 0.25 0.06 0.00 0.35 0.00 0.00 41.96 42.70 3bdl s TYR 508 CO 0.84 -0.48 -0.07 0.08 -1.34 0.00 0.00 175.55 174.58 3bdl s VAL 509 N -1.10 1.59 0.10 3.14 1.01 -1.26 -0.91 120.40 122.97 3bdl s VAL 509 Ca -0.11 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 60.74 3bdl s VAL 509 Cb -0.03 -1.80 -0.22 0.00 0.00 0.00 0.00 36.38 34.33 3bdl s VAL 509 CO 0.06 -0.03 1.20 -0.26 0.00 0.00 0.00 175.10 176.08 3bdl h PHE 510 N 7.95 0.08 -1.99 5.22 0.04 -1.52 -3.49 116.94 123.22 3bdl h PHE 510 Ca -0.20 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.52 3bdl h PHE 510 Cb 1.08 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 3bdl h PHE 510 CO 0.51 1.05 0.09 -1.13 -0.60 0.00 0.00 178.31 178.23 3bdl n SER 511 N -3.36 -0.41 0.20 2.17 3.41 -1.17 -4.96 113.62 109.49 3bdl n SER 511 Ca -0.03 -1.26 0.07 0.00 -0.26 0.00 0.00 58.87 57.40 3bdl n SER 511 Cb 0.96 0.68 0.59 0.00 -0.26 0.00 0.00 64.21 66.19 3bdl n SER 511 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bdl h GLY 512 N 0.40 0.13 0.00 5.00 0.00 -1.82 -3.28 103.07 103.49 3bdl h GLY 512 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3bdl h GLY 512 CO 0.08 0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.53 3bdl n SER 513 N -4.52 1.15 -4.22 0.19 3.41 -1.26 -4.78 113.62 103.59 3bdl n SER 513 Ca -0.01 -1.18 -0.30 0.00 -0.26 0.00 0.00 58.87 57.11 3bdl n SER 513 Cb 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.88 3bdl n SER 513 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bdl s ARG 514 N -0.18 2.55 0.15 4.33 3.52 -1.24 -1.33 118.95 126.75 3bdl s ARG 514 Ca 0.00 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3bdl s ARG 514 Cb 0.00 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 3bdl s ARG 514 CO 0.00 0.28 0.04 -0.51 -0.81 0.00 0.00 175.30 174.29 3bdl s LEU 515 N 0.08 1.89 -0.14 -0.88 1.02 0.04 -1.21 118.68 119.47 3bdl s LEU 515 Ca -0.09 -1.20 -0.01 0.00 0.02 0.00 0.00 54.13 52.85 3bdl s LEU 515 Cb -0.15 0.17 -0.02 0.00 0.02 0.00 0.00 46.19 46.21 3bdl s LEU 515 CO 0.05 -0.67 -0.11 -0.75 0.02 0.00 0.00 176.35 174.89 3bdl s LYS 516 N -4.00 3.43 0.09 1.70 2.20 -0.09 -0.11 119.74 122.97 3bdl s LYS 516 Ca 0.24 -0.65 0.09 0.00 -0.36 0.00 0.00 55.97 55.29 3bdl s LYS 516 Cb 0.07 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3bdl s LYS 516 CO 0.03 0.18 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.45 3bdl s LEU 517 N 0.47 2.27 -0.20 5.43 1.43 0.11 -1.33 118.68 126.86 3bdl s LEU 517 Ca -0.08 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 3bdl s LEU 517 Cb -0.15 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3bdl s LEU 517 CO 0.04 0.14 0.01 -0.47 0.23 0.00 0.00 176.35 176.30 3bdl s TYR 518 N -1.02 3.06 -0.49 0.29 5.04 -0.04 -1.04 117.35 123.14 3bdl s TYR 518 Ca 0.10 -0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.24 3bdl s TYR 518 Cb -0.10 -2.08 0.12 0.00 0.35 0.00 0.00 41.96 40.26 3bdl s TYR 518 CO 0.04 -0.19 0.37 -0.51 -1.34 0.00 0.00 175.55 173.92 3bdl s LEU 519 N 0.92 5.75 0.27 6.97 1.43 0.26 -0.70 118.68 133.58 3bdl s LEU 519 Ca 0.01 -1.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.15 3bdl s LEU 519 Cb -0.14 -2.02 0.60 0.00 0.03 0.00 0.00 46.19 44.65 3bdl s LEU 519 CO 0.02 -0.69 1.72 -0.65 0.23 0.00 0.00 176.35 176.98 3bdl h PRO 520 N 8.41 0.46 -0.19 1.29 0.11 -1.86 0.32 132.00 140.55 3bdl h PRO 520 Ca -0.20 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 3bdl h PRO 520 Cb 1.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3bdl h PRO 520 CO 0.86 0.31 -0.08 0.87 -0.21 0.00 0.00 178.00 179.75 3bdl h LYS 521 N 0.48 0.30 -0.10 1.05 6.56 -1.94 -2.59 116.57 120.33 3bdl h LYS 521 Ca 0.49 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3bdl h LYS 521 Cb 0.83 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 3bdl h LYS 521 CO -0.45 0.40 0.00 0.39 -2.06 0.00 0.00 179.45 177.73 3bdl n GLU 522 N -4.29 1.61 -4.19 3.15 4.71 -0.80 -4.98 120.64 115.85 3bdl n GLU 522 Ca -0.00 -1.66 -0.35 0.00 -0.01 0.00 0.00 57.16 55.14 3bdl n GLU 522 Cb 0.25 -1.35 -0.05 0.00 -1.01 0.00 0.00 31.44 29.28 3bdl n GLU 522 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3bdl n THR 523 N 0.99 -1.89 -4.01 2.62 -2.24 0.11 -4.80 114.28 105.06 3bdl n THR 523 Ca 0.11 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 3bdl n THR 523 Cb 0.45 -1.67 -0.11 0.00 -2.10 0.00 0.00 70.33 66.90 3bdl n THR 523 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdl s LEU 525 N -1.55 3.60 0.09 0.00 1.43 0.17 -0.57 118.68 121.83 3bdl s LEU 525 Ca -0.13 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3bdl s LEU 525 Cb -0.09 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3bdl s LEU 525 CO -0.01 0.34 0.04 0.27 0.23 0.00 0.00 176.35 177.21 3bdl s ILE 526 N -0.64 0.16 0.06 -0.59 -4.36 -0.21 -1.29 121.20 114.34 3bdl s ILE 526 Ca 0.10 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 3bdl s ILE 526 Cb -0.12 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3bdl s ILE 526 CO 0.02 -0.73 0.05 0.42 0.24 0.00 0.00 174.94 174.94 3bdl s THR 527 N -3.97 4.38 -0.01 8.37 -4.23 -1.26 0.07 115.64 118.99 3bdl s THR 527 Ca 0.14 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3bdl s THR 527 Cb 0.07 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 70.85 3bdl s THR 527 CO -0.05 0.19 0.02 0.12 -0.54 0.00 0.00 174.62 174.36 3bdl s PHE 528 N -1.30 -0.00 -0.09 3.99 5.36 0.84 -1.64 117.98 125.14 3bdl s PHE 528 Ca 0.26 0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 3bdl s PHE 528 Cb -0.12 -0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.48 3bdl s PHE 528 CO 0.18 -0.03 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.24 3bdl s LEU 529 N 0.31 2.54 0.21 6.12 1.43 0.11 -0.78 118.68 128.62 3bdl s LEU 529 Ca -0.03 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3bdl s LEU 529 Cb -0.04 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 3bdl s LEU 529 CO -0.01 0.23 1.33 -0.76 0.23 0.00 0.00 176.35 177.37 3bdl s LEU 530 N -0.05 4.41 0.58 1.79 1.43 -0.44 -1.57 118.68 124.84 3bdl s LEU 530 Ca -0.04 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.43 3bdl s LEU 530 Cb -0.14 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 3bdl s LEU 530 CO 0.04 -0.55 0.91 0.00 0.23 0.00 0.00 176.35 176.98 3bdl s ALA 531 N 0.08 3.27 0.00 4.21 0.00 0.37 -4.45 121.76 125.23 3bdl s ALA 531 Ca 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3bdl s ALA 531 Cb -0.37 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3bdl s ALA 531 CO 0.39 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3bdl n GLY 532 N -2.58 0.33 3.21 0.00 0.00 -1.26 -4.83 105.19 100.06 3bdl n GLY 532 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3bdl n GLY 532 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdl s ILE 533 N -1.90 0.08 -0.16 -0.61 -4.36 -1.26 -0.91 121.20 112.08 3bdl s ILE 533 Ca 0.00 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3bdl s ILE 533 Cb 0.00 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.66 3bdl s ILE 533 CO 0.00 -0.34 -0.18 -1.61 0.24 0.00 0.00 174.94 173.05 3bdl s GLU 534 N -4.05 2.69 -0.11 0.37 2.02 0.22 -4.73 118.70 115.13 3bdl s GLU 534 Ca 0.25 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 3bdl s GLU 534 Cb 0.06 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 3bdl s GLU 534 CO 0.03 -0.19 -0.03 0.00 0.02 0.00 0.00 175.26 175.09 3bdl n PRO 536 N 2.65 1.76 -2.38 0.00 -0.04 -1.26 -4.98 135.00 130.75 3bdl n PRO 536 Ca -0.18 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.63 3bdl n PRO 536 Cb 0.53 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3bdl n PRO 536 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3bdl s ARG 537 N 0.47 3.56 0.26 0.54 1.81 -1.26 -4.53 118.95 119.80 3bdl s ARG 537 Ca 0.78 0.39 -0.02 0.00 -1.72 0.00 0.00 55.73 55.16 3bdl s ARG 537 Cb -0.77 -2.28 0.06 0.00 -0.45 0.00 0.00 34.95 31.51 3bdl s ARG 537 CO 0.43 -0.33 0.36 0.41 -0.68 0.00 0.00 175.30 175.50 3bdl n GLY 538 N -2.42 -0.11 3.67 -3.53 0.00 -1.26 -0.37 105.19 101.16 3bdl n GLY 538 Ca 0.02 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3bdl n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdl s ALA 539 N -3.36 1.28 -0.00 4.61 0.00 -1.26 -4.12 121.76 118.91 3bdl s ALA 539 Ca 0.22 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3bdl s ALA 539 Cb -0.01 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3bdl s ALA 539 CO 0.15 -2.70 -0.01 1.03 0.00 0.00 0.00 175.76 174.23 3bdl s ARG 540 N -4.72 0.11 -0.38 0.00 1.81 0.15 -4.85 118.95 111.08 3bdl s ARG 540 Ca 0.65 -0.05 0.12 0.00 -1.72 0.00 0.00 55.73 54.73 3bdl s ARG 540 Cb -0.21 -0.11 0.41 0.00 -0.45 0.00 0.00 34.95 34.59 3bdl s ARG 540 CO 0.59 0.03 1.22 0.27 -0.68 0.00 0.00 175.30 176.73 3bdl n ASN 541 N 3.06 -0.84 -4.91 0.23 6.94 -1.13 -0.55 115.26 118.05 3bdl n ASN 541 Ca -0.12 -2.56 -0.28 0.00 -0.02 0.00 0.00 54.58 51.60 3bdl n ASN 541 Cb 0.59 0.53 0.07 0.00 -2.36 0.00 0.00 39.78 38.61 3bdl n ASN 541 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3bdl s LEU 542 N -3.16 2.80 -0.06 -4.53 1.43 -0.44 -4.92 118.68 109.80 3bdl s LEU 542 Ca 0.24 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3bdl s LEU 542 Cb 0.42 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.17 3bdl s LEU 542 CO -0.05 -1.56 2.03 -2.65 0.23 0.00 0.00 176.35 174.35 3bdl n PRO 543 N -3.01 2.48 -0.94 1.29 -0.02 -1.26 -1.29 135.00 132.25 3bdl n PRO 543 Ca 0.07 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3bdl n PRO 543 Cb 0.60 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3bdl n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdl n GLY 544 N 4.91 0.73 2.61 -1.23 0.00 -1.26 -2.18 105.19 108.77 3bdl n GLY 544 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 3bdl n GLY 544 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdl s LEU 545 N 0.00 0.37 -0.22 0.99 1.98 -0.41 -4.51 118.68 116.88 3bdl s LEU 545 Ca 0.00 -1.55 0.02 0.00 -2.89 0.00 0.00 54.13 49.71 3bdl s LEU 545 Cb 0.00 0.04 0.04 0.00 0.66 0.00 0.00 46.19 46.93 3bdl s LEU 545 CO 0.00 -0.34 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.28 3bdl s VAL 546 N 1.65 2.17 0.08 1.68 1.01 -1.26 -1.33 120.40 124.39 3bdl s VAL 546 Ca 0.14 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3bdl s VAL 546 Cb -0.18 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.17 3bdl s VAL 546 CO -0.15 0.26 0.57 0.00 0.00 0.00 0.00 175.10 175.78 3bdl s GLN 547 N 1.21 1.13 0.74 2.72 -2.07 0.29 -4.98 119.66 118.70 3bdl s GLN 547 Ca -0.02 -0.27 -0.11 0.00 -1.82 0.00 0.00 55.36 53.14 3bdl s GLN 547 Cb -0.16 0.52 0.04 0.00 -1.09 0.00 0.00 33.01 32.31 3bdl s GLN 547 CO -0.09 -0.44 1.08 -1.21 -1.32 0.00 0.00 175.29 173.31 3bdl s GLU 548 N -2.81 2.53 0.92 9.60 0.41 -1.26 -0.67 118.70 127.42 3bdl s GLU 548 Ca -0.03 0.79 -0.14 0.00 -0.41 0.00 0.00 54.97 55.18 3bdl s GLU 548 Cb -0.00 -1.96 0.15 0.00 -1.78 0.00 0.00 34.13 30.54 3bdl s GLU 548 CO -0.05 -1.34 1.19 0.20 -0.49 0.00 0.00 175.26 174.77 3bdl s GLY 549 N -3.86 1.62 0.56 -1.39 0.00 -1.26 -4.62 107.32 98.36 3bdl s GLY 549 Ca 0.59 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 44.38 3bdl s GLY 549 CO 0.55 -0.13 1.12 -0.54 0.00 0.00 0.00 173.10 174.09 3bdl s GLU 550 N -5.50 3.32 0.12 2.90 2.02 0.50 -4.87 118.70 117.20 3bdl s GLU 550 Ca 0.66 1.54 -0.35 0.00 0.02 0.00 0.00 54.97 56.84 3bdl s GLU 550 Cb -0.11 -2.01 -0.16 0.00 0.10 0.00 0.00 34.13 31.96 3bdl s GLU 550 CO 0.52 -0.86 1.40 -2.30 0.02 0.00 0.00 175.26 174.04 3bdl n PRO 551 N -1.44 1.49 -1.20 0.39 -0.02 -1.26 -2.27 135.00 130.68 3bdl n PRO 551 Ca 0.11 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 3bdl n PRO 551 Cb 0.51 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3bdl n PRO 551 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3bdl n PHE 552 N 2.66 0.00 -0.11 6.00 3.72 -1.26 -4.76 117.46 123.71 3bdl n PHE 552 Ca 0.17 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.55 3bdl n PHE 552 Cb 0.23 -1.60 0.20 0.00 -0.94 0.00 0.00 39.48 37.37 3bdl n PHE 552 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3bdl h SER 553 N 0.00 0.74 -0.31 4.37 4.64 -1.69 -1.53 113.55 119.77 3bdl h SER 553 Ca -0.14 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 3bdl h SER 553 Cb 0.58 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3bdl h SER 553 CO 0.21 0.74 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.37 3bdl h GLU 554 N 0.76 0.69 -0.32 4.77 5.08 -1.90 -2.52 114.58 121.14 3bdl h GLU 554 Ca 0.17 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3bdl h GLU 554 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3bdl h GLU 554 CO 0.00 0.92 -0.18 1.49 -1.00 0.00 0.00 179.01 180.25 3bdl h GLU 555 N 0.44 0.58 -0.54 2.33 4.81 -1.93 -2.31 114.58 117.97 3bdl h GLU 555 Ca 0.06 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3bdl h GLU 555 Cb 0.75 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3bdl h GLU 555 CO 0.06 0.73 0.25 0.00 -0.73 0.00 0.00 179.01 179.31 3bdl h ALA 556 N 1.29 0.69 -0.31 2.92 0.00 -1.18 0.27 119.26 122.94 3bdl h ALA 556 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bdl h ALA 556 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3bdl h ALA 556 CO 0.04 0.27 0.19 1.15 0.00 0.00 0.00 179.25 180.90 3bdl h THR 557 N 0.72 1.10 -0.55 0.00 2.02 -1.22 -2.12 112.91 112.87 3bdl h THR 557 Ca 0.18 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3bdl h THR 557 Cb 0.14 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3bdl h THR 557 CO -0.02 0.10 0.11 -0.07 0.37 0.00 0.00 175.52 176.01 3bdl h LEU 558 N 0.40 0.81 0.13 2.58 3.38 -1.16 -0.18 115.31 121.26 3bdl h LEU 558 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bdl h LEU 558 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3bdl h LEU 558 CO -0.02 0.81 -0.14 0.15 0.09 0.00 0.00 178.44 179.33 3bdl h PHE 559 N 0.82 -0.35 -0.71 1.13 3.57 -0.64 -0.04 116.94 120.72 3bdl h PHE 559 Ca 0.18 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3bdl h PHE 559 Cb 0.34 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3bdl h PHE 559 CO 0.02 -0.21 0.22 1.15 -2.23 0.00 0.00 178.31 177.26 3bdl h THR 560 N -0.30 1.26 -0.31 4.41 2.02 -1.16 -2.37 112.91 116.46 3bdl h THR 560 Ca 0.01 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3bdl h THR 560 Cb 0.29 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3bdl h THR 560 CO -0.04 0.35 0.15 0.11 0.37 0.00 0.00 175.52 176.46 3bdl h LYS 561 N 1.04 0.44 0.00 6.66 1.57 -0.79 -0.94 116.57 124.56 3bdl h LYS 561 Ca 0.23 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3bdl h LYS 561 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3bdl h LYS 561 CO -0.01 0.41 -0.20 0.93 -0.57 0.00 0.00 179.45 180.02 3bdl h GLU 562 N 0.37 0.00 0.06 3.15 5.08 -0.90 -2.60 114.58 119.74 3bdl h GLU 562 Ca 0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.12 3bdl h GLU 562 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3bdl h GLU 562 CO -0.01 0.20 -1.93 -0.11 -1.00 0.00 0.00 179.01 176.16 3bdl n LEU 563 N -3.63 2.42 -0.07 1.33 7.94 -0.90 -4.76 117.00 119.34 3bdl n LEU 563 Ca -0.01 0.23 0.03 0.00 -1.11 0.00 0.00 56.01 55.14 3bdl n LEU 563 Cb 0.33 -1.02 -0.01 0.00 0.53 0.00 0.00 43.42 43.24 3bdl n LEU 563 CO 0.33 0.69 0.09 0.55 -1.11 0.00 0.00 177.39 177.94 3bdl n VAL 564 N -3.77 0.00 -1.68 1.96 3.14 -0.37 -4.89 118.33 112.71 3bdl n VAL 564 Ca -0.36 -0.41 -0.45 0.00 -2.96 0.00 0.00 64.34 60.16 3bdl n VAL 564 Cb 0.93 1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 34.71 3bdl n VAL 564 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3bdl n LEU 565 N -0.69 3.79 -1.51 6.55 7.94 -0.98 -1.47 117.00 130.63 3bdl n LEU 565 Ca 0.02 0.97 -0.18 0.00 -1.11 0.00 0.00 56.01 55.71 3bdl n LEU 565 Cb 0.10 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.52 3bdl n LEU 565 CO 0.09 0.06 -0.18 0.00 -1.11 0.00 0.00 177.39 176.25 3bdl n GLN 566 N 6.18 -1.27 -3.70 1.96 6.02 0.10 -4.90 117.38 121.77 3bdl n GLN 566 Ca 0.20 1.06 -0.27 0.00 -0.01 0.00 0.00 57.00 57.98 3bdl n GLN 566 Cb 0.35 -5.36 -0.03 0.00 1.02 0.00 0.00 30.24 26.21 3bdl n GLN 566 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3bdl s ARG 567 N -3.82 3.51 -0.09 -1.09 3.00 -0.54 -4.79 118.95 115.13 3bdl s ARG 567 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 55.73 55.12 3bdl s ARG 567 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 34.95 32.08 3bdl s ARG 567 CO 0.00 0.39 0.74 -1.21 0.00 0.00 0.00 175.30 175.23 3bdl s GLU 568 N -3.39 4.40 0.38 3.54 2.02 -1.26 -2.37 118.70 122.01 3bdl s GLU 568 Ca 0.38 0.93 0.06 0.00 0.02 0.00 0.00 54.97 56.36 3bdl s GLU 568 Cb -0.11 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 3bdl s GLU 568 CO 0.29 -0.05 0.20 0.14 0.02 0.00 0.00 175.26 175.87 3bdl s VAL 569 N 1.19 0.29 -0.03 2.63 -7.23 0.43 -4.74 120.40 112.93 3bdl s VAL 569 Ca 0.38 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3bdl s VAL 569 Cb -0.18 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 3bdl s VAL 569 CO 0.17 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.20 3bdl s GLU 570 N -3.56 1.50 0.03 4.82 8.01 -0.56 -1.31 118.70 127.64 3bdl s GLU 570 Ca 0.30 -0.52 0.06 0.00 0.01 0.00 0.00 54.97 54.82 3bdl s GLU 570 Cb 0.02 -1.34 -0.02 0.00 -4.31 0.00 0.00 34.13 28.47 3bdl s GLU 570 CO 0.21 0.22 -0.17 0.14 0.01 0.00 0.00 175.26 175.67 3bdl s VAL 571 N 0.02 1.33 -0.17 2.63 -7.23 -0.17 -0.30 120.40 116.51 3bdl s VAL 571 Ca -0.02 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 3bdl s VAL 571 Cb -0.10 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 3bdl s VAL 571 CO 0.01 0.14 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.27 3bdl s GLU 572 N -1.00 3.48 -0.25 4.82 2.02 -0.28 -0.73 118.70 126.77 3bdl s GLU 572 Ca 0.05 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.29 3bdl s GLU 572 Cb -0.08 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3bdl s GLU 572 CO 0.01 0.06 0.32 0.08 0.02 0.00 0.00 175.26 175.75 3bdl s VAL 573 N 0.79 5.23 -0.26 2.63 1.01 -1.26 -1.32 120.40 127.22 3bdl s VAL 573 Ca -0.02 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 3bdl s VAL 573 Cb -0.15 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 3bdl s VAL 573 CO 0.02 0.23 -0.28 -0.62 0.00 0.00 0.00 175.10 174.45 3bdl n GLU 574 N 4.85 0.61 -0.02 2.72 -0.58 0.52 -4.24 120.64 124.51 3bdl n GLU 574 Ca -0.10 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3bdl n GLU 574 Cb 0.51 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 3bdl n GLU 574 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3bdl n SER 575 N -3.67 0.00 -3.80 1.62 3.41 -0.89 -5.00 113.62 105.30 3bdl n SER 575 Ca -0.49 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.01 3bdl n SER 575 Cb 0.93 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.82 3bdl n SER 575 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdl s MET 576 N 0.96 1.02 0.54 4.33 0.23 -1.26 0.23 119.30 125.35 3bdl s MET 576 Ca 0.00 -0.92 0.07 0.00 -1.03 0.00 0.00 55.69 53.81 3bdl s MET 576 Cb 0.00 0.40 0.05 0.00 -1.53 0.00 0.00 34.83 33.75 3bdl s MET 576 CO 0.00 -0.37 0.52 0.16 -2.03 0.00 0.00 175.02 173.30 3bdl s ASP 577 N -2.87 4.83 0.51 -1.18 1.47 -0.07 -4.87 116.67 114.49 3bdl s ASP 577 Ca 0.07 -1.06 0.34 0.00 1.18 0.00 0.00 52.55 53.08 3bdl s ASP 577 Cb 0.03 0.27 1.66 0.00 -0.34 0.00 0.00 42.92 44.54 3bdl s ASP 577 CO -0.08 -1.13 2.02 0.11 0.68 0.00 0.00 175.17 176.77 3bdl h LYS 578 N 0.60 0.00 -0.13 2.11 1.79 -1.92 -2.62 116.57 116.40 3bdl h LYS 578 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 3bdl h LYS 578 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3bdl h LYS 578 CO 0.52 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.89 3bdl n ALA 579 N -1.98 2.53 -0.54 3.86 0.00 -1.26 -4.73 120.51 118.39 3bdl n ALA 579 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3bdl n ALA 579 Cb 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3bdl n ALA 579 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdl n GLY 580 N 1.17 0.73 3.76 0.00 0.00 -0.99 -3.87 105.19 106.00 3bdl n GLY 580 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3bdl n GLY 580 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bdl s ASN 581 N -2.07 7.11 0.31 1.61 0.01 -1.26 -3.84 114.94 116.82 3bdl s ASN 581 Ca 0.00 1.32 -0.17 0.00 -0.71 0.00 0.00 52.86 53.30 3bdl s ASN 581 Cb 0.00 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 3bdl s ASN 581 CO 0.00 0.09 0.76 -0.36 -1.51 0.00 0.00 177.10 176.08 3bdl s PHE 582 N -0.27 3.44 -0.11 2.20 0.08 -0.65 -0.89 117.98 121.78 3bdl s PHE 582 Ca 0.34 1.32 0.01 0.00 0.12 0.00 0.00 56.93 58.72 3bdl s PHE 582 Cb -0.20 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3bdl s PHE 582 CO 0.20 0.13 -0.15 0.42 -0.10 0.00 0.00 175.22 175.73 3bdl s ILE 583 N -1.89 2.91 0.00 0.64 1.01 0.13 0.09 121.20 124.09 3bdl s ILE 583 Ca 0.52 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3bdl s ILE 583 Cb -0.12 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3bdl s ILE 583 CO 0.18 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.27 3bdl n GLY 584 N 3.31 1.03 3.60 6.18 0.00 -0.61 -0.35 105.19 118.35 3bdl n GLY 584 Ca -0.18 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3bdl n GLY 584 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bdl s TRP 585 N -2.80 3.13 -0.15 1.61 0.52 -0.43 -0.48 118.94 120.34 3bdl s TRP 585 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 3bdl s TRP 585 Cb 0.00 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 3bdl s TRP 585 CO 0.00 0.21 -0.06 -1.17 0.02 0.00 0.00 176.95 175.95 3bdl s LEU 586 N -0.14 3.10 -0.14 2.99 0.20 -1.26 -1.13 118.68 122.29 3bdl s LEU 586 Ca 0.04 -0.19 0.00 0.00 0.69 0.00 0.00 54.13 54.68 3bdl s LEU 586 Cb -0.13 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.89 3bdl s LEU 586 CO 0.02 0.17 -0.14 -1.00 -0.29 0.00 0.00 176.35 175.10 3bdl s HIS 587 N 0.37 2.79 -0.15 5.38 3.76 0.59 -1.16 115.29 126.87 3bdl s HIS 587 Ca -0.06 -0.85 -0.00 0.00 -0.15 0.00 0.00 55.06 54.00 3bdl s HIS 587 Cb -0.15 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.71 3bdl s HIS 587 CO 0.04 -0.35 -0.07 -1.50 -0.85 0.00 0.00 174.74 172.01 3bdl s ILE 588 N 0.60 1.16 -1.44 0.60 1.10 0.58 -1.50 121.20 122.31 3bdl s ILE 588 Ca -0.08 -0.57 -0.01 0.00 -0.51 0.00 0.00 60.65 59.48 3bdl s ILE 588 Cb -0.16 -1.27 0.01 0.00 0.15 0.00 0.00 42.46 41.19 3bdl s ILE 588 CO 0.03 0.22 0.37 0.47 -2.11 0.00 0.00 174.94 173.92 3bdl n ASP 589 N 4.87 -0.24 0.00 4.50 8.00 -1.26 -1.16 116.55 131.26 3bdl n ASP 589 Ca -0.13 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3bdl n ASP 589 Cb 0.48 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3bdl n ASP 589 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bdl n GLY 590 N -2.04 1.19 3.58 0.44 0.00 -1.26 -5.03 105.19 102.06 3bdl n GLY 590 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3bdl n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdl s ALA 591 N -3.64 2.96 -0.31 4.61 0.00 -0.31 -5.11 121.76 119.96 3bdl s ALA 591 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3bdl s ALA 591 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3bdl s ALA 591 CO 0.00 0.48 0.21 1.21 0.00 0.00 0.00 175.76 177.66 3bdl s ASN 592 N -2.78 6.03 0.26 0.00 3.84 -1.26 -0.31 114.94 120.71 3bdl s ASN 592 Ca 0.25 -0.20 -0.04 0.00 0.21 0.00 0.00 52.86 53.07 3bdl s ASN 592 Cb -0.09 -2.13 0.33 0.00 -0.55 0.00 0.00 41.25 38.81 3bdl s ASN 592 CO 0.15 -0.14 1.90 0.25 -2.79 0.00 0.00 177.10 176.48 3bdl h LEU 593 N 8.42 1.07 -0.77 3.21 5.85 -1.52 -0.20 115.31 131.38 3bdl h LEU 593 Ca -0.33 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.40 3bdl h LEU 593 Cb 1.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3bdl h LEU 593 CO 0.59 0.73 0.50 0.28 -0.34 0.00 0.00 178.44 180.20 3bdl h SER 594 N 1.24 0.86 -0.50 1.25 0.02 -1.88 -1.07 113.55 113.47 3bdl h SER 594 Ca 0.40 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.26 3bdl h SER 594 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3bdl h SER 594 CO -0.13 0.61 0.01 0.58 -1.14 0.00 0.00 176.83 176.76 3bdl h VAL 595 N 1.01 1.26 -0.53 2.27 2.07 -1.72 -2.80 116.25 117.82 3bdl h VAL 595 Ca 0.29 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3bdl h VAL 595 Cb -0.07 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3bdl h VAL 595 CO -0.08 0.37 0.34 -0.07 0.02 0.00 0.00 177.57 178.15 3bdl h LEU 596 N 0.74 0.62 -0.63 2.57 3.38 -0.47 0.18 115.31 121.69 3bdl h LEU 596 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3bdl h LEU 596 Cb 0.50 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3bdl h LEU 596 CO 0.02 0.47 0.40 -0.07 0.09 0.00 0.00 178.44 179.36 3bdl h LEU 597 N 0.71 0.74 -0.50 1.67 3.38 -1.17 -0.68 115.31 119.47 3bdl h LEU 597 Ca 0.19 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3bdl h LEU 597 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3bdl h LEU 597 CO -0.04 0.56 0.06 0.58 0.09 0.00 0.00 178.44 179.69 3bdl h VAL 598 N 0.86 1.25 -0.83 1.22 2.07 -1.23 0.22 116.25 119.81 3bdl h VAL 598 Ca 0.23 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3bdl h VAL 598 Cb -0.07 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3bdl h VAL 598 CO -0.05 0.34 0.52 -0.08 0.02 0.00 0.00 177.57 178.33 3bdl h GLU 599 N 0.72 0.95 -0.21 1.57 4.81 -0.51 -1.12 114.58 120.79 3bdl h GLU 599 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3bdl h GLU 599 Cb 0.43 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3bdl h GLU 599 CO 0.01 0.63 0.00 0.72 -0.73 0.00 0.00 179.01 179.64 3bdl n HIS 600 N -4.61 0.25 -3.26 0.92 8.25 -0.30 -4.51 115.22 111.95 3bdl n HIS 600 Ca 0.11 -0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 3bdl n HIS 600 Cb 0.14 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.30 3bdl n HIS 600 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bdl n ALA 601 N 0.03 -1.10 -0.43 -1.41 0.00 -0.42 -4.90 120.51 112.27 3bdl n ALA 601 Ca 0.06 0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.89 3bdl n ALA 601 Cb 0.16 -4.58 0.12 0.00 0.00 0.00 0.00 19.45 15.16 3bdl n ALA 601 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bdl n LEU 602 N -4.40 2.73 -3.61 0.00 4.77 0.74 -2.57 117.00 114.65 3bdl n LEU 602 Ca -0.06 -2.38 -0.04 0.00 -0.03 0.00 0.00 56.01 53.50 3bdl n LEU 602 Cb 0.59 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3bdl n LEU 602 CO 0.54 0.65 0.86 -0.44 -1.33 0.00 0.00 177.39 177.67 3bdl s SER 603 N -1.50 -0.19 0.18 -1.43 0.01 -1.18 -4.43 113.70 105.17 3bdl s SER 603 Ca 0.21 -0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.43 3bdl s SER 603 Cb 0.15 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 3bdl s SER 603 CO 0.07 -0.51 -0.18 -0.54 0.41 0.00 0.00 173.24 172.49 3bdl s LYS 604 N -2.82 1.33 0.26 12.44 1.02 -0.41 -4.33 119.74 127.24 3bdl s LYS 604 Ca 0.10 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 3bdl s LYS 604 Cb 0.00 -1.35 -0.09 0.00 -0.52 0.00 0.00 37.83 35.87 3bdl s LYS 604 CO -0.04 0.26 1.15 0.08 -0.92 0.00 0.00 175.35 175.89 3bdl s VAL 605 N -2.26 3.42 0.19 3.17 1.01 -1.26 -0.61 120.40 124.06 3bdl s VAL 605 Ca 0.19 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.57 3bdl s VAL 605 Cb -0.05 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3bdl s VAL 605 CO 0.08 0.29 0.17 -2.28 0.00 0.00 0.00 175.10 173.36 3bdl s HIS 606 N -0.82 3.17 0.10 5.22 2.46 -0.08 -4.75 115.29 120.57 3bdl s HIS 606 Ca 0.47 -0.04 0.32 0.00 0.47 0.00 0.00 55.06 56.29 3bdl s HIS 606 Cb -0.33 -1.49 1.59 0.00 -0.13 0.00 0.00 32.58 32.22 3bdl s HIS 606 CO 0.41 0.52 1.98 0.27 -2.47 0.00 0.00 174.74 175.45 3bdl h PHE 607 N 2.05 0.00 0.00 3.88 -0.00 -1.91 -1.89 116.94 119.08 3bdl h PHE 607 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 3bdl h PHE 607 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 3bdl h PHE 607 CO 0.56 0.00 0.00 1.79 -0.00 0.00 0.00 178.31 180.66 3bdl h THR 608 N 0.00 0.00 0.00 0.88 1.35 -1.95 -2.52 112.91 110.67 3bdl h THR 608 Ca 0.00 -0.28 -0.05 0.00 -0.55 0.00 0.00 66.41 65.53 3bdl h THR 608 Cb 0.20 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 3bdl h THR 608 CO 0.00 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 3bdl h ALA 609 N 2.11 0.86 -0.94 6.62 0.00 -1.56 -3.37 119.26 122.98 3bdl h ALA 609 Ca 0.00 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 54.94 3bdl h ALA 609 Cb 0.34 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 3bdl h ALA 609 CO 0.00 0.30 0.46 0.93 0.00 0.00 0.00 179.25 180.94 3bdl h GLU 610 N 0.00 0.39 -0.54 0.00 5.08 -1.62 0.44 114.58 118.33 3bdl h GLU 610 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bdl h GLU 610 Cb 1.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3bdl h GLU 610 CO 0.03 0.26 0.00 0.54 -1.00 0.00 0.00 179.01 178.84 3bdl n ARG 611 N -5.03 2.46 -3.80 2.33 1.74 -1.26 -4.88 116.66 108.21 3bdl n ARG 611 Ca 0.25 -1.79 -0.30 0.00 -0.77 0.00 0.00 57.85 55.24 3bdl n ARG 611 Cb 0.75 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 3bdl n ARG 611 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3bdl s SER 612 N -0.87 6.41 0.07 0.55 0.15 0.15 -4.98 113.70 115.17 3bdl s SER 612 Ca 0.33 0.39 0.17 0.00 0.70 0.00 0.00 55.95 57.54 3bdl s SER 612 Cb 0.19 -2.01 0.72 0.00 -1.71 0.00 0.00 66.02 63.22 3bdl s SER 612 CO 0.19 0.08 1.54 -1.54 1.20 0.00 0.00 173.24 174.71 3bdl n SER 613 N -0.01 0.18 -0.58 5.45 3.41 -1.26 -1.82 113.62 118.99 3bdl n SER 613 Ca -0.04 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3bdl n SER 613 Cb 0.52 -0.58 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 3bdl n SER 613 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3bdl n TYR 614 N -1.70 0.00 -0.25 7.33 4.01 -1.26 -4.43 117.16 120.85 3bdl n TYR 614 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 3bdl n TYR 614 Cb 0.19 -0.02 0.17 0.00 -0.31 0.00 0.00 39.34 39.37 3bdl n TYR 614 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3bdl h TYR 615 N 2.86 0.56 -0.37 -0.72 3.20 -1.52 -1.11 116.97 119.87 3bdl h TYR 615 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3bdl h TYR 615 Cb 0.68 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3bdl h TYR 615 CO 0.00 0.12 0.18 -0.22 -1.64 0.00 0.00 178.16 176.60 3bdl h LYS 616 N 0.50 0.53 -0.77 1.82 3.64 -1.82 -0.82 116.57 119.65 3bdl h LYS 616 Ca 0.40 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3bdl h LYS 616 Cb 0.55 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3bdl h LYS 616 CO -0.36 0.47 0.33 0.77 -2.27 0.00 0.00 179.45 178.39 3bdl h SER 617 N 0.46 1.05 -0.39 4.20 0.02 -1.71 -1.39 113.55 115.78 3bdl h SER 617 Ca 0.13 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3bdl h SER 617 Cb 0.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3bdl h SER 617 CO -0.02 0.92 0.15 -0.07 -1.14 0.00 0.00 176.83 176.68 3bdl h LEU 618 N 1.11 0.55 -0.58 5.07 3.38 -0.96 -1.62 115.31 122.24 3bdl h LEU 618 Ca 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3bdl h LEU 618 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3bdl h LEU 618 CO -0.02 0.57 0.21 -0.07 0.09 0.00 0.00 178.44 179.22 3bdl h LEU 619 N 0.49 0.83 -0.48 1.67 3.38 -0.94 -0.44 115.31 119.82 3bdl h LEU 619 Ca 0.13 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3bdl h LEU 619 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3bdl h LEU 619 CO -0.01 0.79 0.31 -1.28 0.09 0.00 0.00 178.44 178.34 3bdl h SER 620 N 0.81 0.54 -0.16 -0.43 0.87 -1.12 0.30 113.55 114.36 3bdl h SER 620 Ca 0.19 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3bdl h SER 620 Cb 0.24 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3bdl h SER 620 CO -0.01 0.39 0.06 0.00 -0.53 0.00 0.00 176.83 176.74 3bdl h ALA 621 N 1.18 0.21 -0.39 6.23 0.00 -1.04 -2.57 119.26 122.87 3bdl h ALA 621 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3bdl h ALA 621 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3bdl h ALA 621 CO -0.04 -0.19 0.20 1.49 0.00 0.00 0.00 179.25 180.70 3bdl h GLU 622 N 0.09 0.53 0.14 0.00 4.81 -0.81 -1.34 114.58 118.01 3bdl h GLU 622 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3bdl h GLU 622 Cb 0.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3bdl h GLU 622 CO -0.00 0.40 -0.07 1.49 -0.73 0.00 0.00 179.01 180.10 3bdl h GLU 623 N 0.54 -0.18 -0.48 1.92 4.57 -0.68 -0.29 114.58 119.97 3bdl h GLU 623 Ca 0.14 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3bdl h GLU 623 Cb 0.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3bdl h GLU 623 CO -0.02 -0.08 0.04 0.00 -1.18 0.00 0.00 179.01 177.78 3bdl h ALA 624 N 0.60 1.18 -0.16 2.92 0.00 -1.10 -2.66 119.26 120.04 3bdl h ALA 624 Ca -0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3bdl h ALA 624 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bdl h ALA 624 CO 0.03 0.54 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 3bdl h ALA 625 N 1.32 0.23 -0.07 0.00 0.00 -1.06 -3.12 119.26 116.56 3bdl h ALA 625 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3bdl h ALA 625 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bdl h ALA 625 CO 0.01 0.06 -0.07 -0.22 0.00 0.00 0.00 179.25 179.03 3bdl h LYS 626 N 0.02 0.10 0.00 0.00 3.64 -0.97 -2.27 116.57 117.09 3bdl h LYS 626 Ca 0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3bdl h LYS 626 Cb 0.58 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3bdl h LYS 626 CO 0.03 0.18 -0.39 1.96 -2.27 0.00 0.00 179.45 178.96 3bdl h GLN 627 N 0.10 0.00 0.00 1.90 4.20 -1.42 -2.35 115.11 117.55 3bdl h GLN 627 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3bdl h GLN 627 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3bdl h GLN 627 CO 0.01 0.39 0.00 0.87 -0.67 0.00 0.00 178.83 179.43 3bdl h LYS 628 N 0.00 0.00 -5.65 1.46 1.57 -1.38 -3.47 116.57 109.10 3bdl h LYS 628 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 3bdl h LYS 628 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3bdl h LYS 628 CO 0.05 0.00 -0.66 1.63 -0.57 0.00 0.00 179.45 179.91 3bdl n LYS 629 N -2.71 -4.63 -4.50 3.15 4.76 -0.88 -4.98 118.16 108.36 3bdl n LYS 629 Ca 0.03 0.61 -0.24 0.00 -2.87 0.00 0.00 58.31 55.84 3bdl n LYS 629 Cb 0.38 -5.43 -0.11 0.00 -1.84 0.00 0.00 35.03 28.03 3bdl n LYS 629 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3bdl s GLU 630 N -6.23 1.72 6.57 1.97 0.41 -1.26 -3.66 118.70 118.22 3bdl s GLU 630 Ca 0.50 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 3bdl s GLU 630 Cb -0.25 -1.30 0.00 0.00 -1.78 0.00 0.00 34.13 30.80 3bdl s GLU 630 CO 0.62 -0.02 0.00 1.63 -0.49 0.00 0.00 175.26 177.00 3bdl n LYS 631 N -0.74 0.00 0.12 1.61 5.02 -1.26 -1.30 118.16 121.61 3bdl n LYS 631 Ca -0.04 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.32 3bdl n LYS 631 Cb 0.65 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 36.08 3bdl n LYS 631 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3bdl n VAL 632 N 0.00 1.30 -0.11 -0.18 0.24 -1.06 -0.67 118.33 117.84 3bdl n VAL 632 Ca 0.00 0.67 0.06 0.00 -2.04 0.00 0.00 64.34 63.03 3bdl n VAL 632 Cb 0.00 -1.67 0.14 0.00 -1.47 0.00 0.00 33.84 30.84 3bdl n VAL 632 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3bdl n TRP 633 N -2.03 0.42 0.00 6.34 7.02 -0.42 -5.10 117.44 123.67 3bdl n TRP 633 Ca -0.01 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.02 3bdl n TRP 633 Cb 0.03 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 3bdl n TRP 633 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3bdl n ALA 634 N 0.55 0.00 0.00 6.99 0.00 0.15 -4.10 120.51 124.10 3bdl n ALA 634 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3bdl n ALA 634 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3bdl n ALA 634 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3bdl n MET 645 N 0.00 0.00 -1.65 0.00 0.00 -1.26 -4.96 117.12 109.25 3bdl n MET 645 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 3bdl n MET 645 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.27 3bdl n MET 645 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3bdl s PRO 646 N 0.00 2.82 0.25 2.12 0.04 -1.26 -4.90 135.00 134.07 3bdl s PRO 646 Ca 0.00 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.28 3bdl s PRO 646 Cb 0.00 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3bdl s PRO 646 CO 0.00 -1.20 -0.08 0.14 0.04 0.00 0.00 177.00 175.90 3bdl s VAL 647 N -2.69 1.58 0.21 -0.36 -7.23 -1.26 -5.07 120.40 105.57 3bdl s VAL 647 Ca 0.62 -2.14 -0.32 0.00 -1.81 0.00 0.00 61.98 58.33 3bdl s VAL 647 Cb -0.17 -2.30 -0.14 0.00 0.56 0.00 0.00 36.38 34.34 3bdl s VAL 647 CO 0.47 -0.41 1.43 -0.11 -0.31 0.00 0.00 175.10 176.18 3bdl n LEU 648 N -0.49 2.92 -4.75 1.32 7.94 -1.26 -4.93 117.00 117.76 3bdl n LEU 648 Ca -0.06 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 3bdl n LEU 648 Cb 0.62 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 3bdl n LEU 648 CO 0.38 -0.52 0.78 -1.61 -1.11 0.00 0.00 177.39 175.31 3bdl s GLU 649 N -0.02 4.63 0.09 1.96 0.41 -1.26 -5.01 118.70 119.51 3bdl s GLU 649 Ca 0.72 1.74 0.03 0.00 -0.41 0.00 0.00 54.97 57.04 3bdl s GLU 649 Cb -0.69 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 28.39 3bdl s GLU 649 CO 0.47 0.17 -0.08 -1.21 -0.49 0.00 0.00 175.26 174.11 3bdl s GLU 650 N -0.87 0.82 -0.00 1.61 2.02 -1.26 -5.05 118.70 115.97 3bdl s GLU 650 Ca 0.47 -1.20 -0.24 0.00 0.02 0.00 0.00 54.97 54.02 3bdl s GLU 650 Cb -0.30 -0.37 -0.15 0.00 0.10 0.00 0.00 34.13 33.40 3bdl s GLU 650 CO 0.37 0.04 1.12 0.87 0.02 0.00 0.00 175.26 177.67 3bdl h LYS 651 N 3.38 -0.49 -6.26 1.61 1.57 -1.96 -3.21 116.57 111.20 3bdl h LYS 651 Ca -0.36 0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 57.81 3bdl h LYS 651 Cb 1.18 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 3bdl h LYS 651 CO 0.57 -0.18 -0.63 -1.21 -0.57 0.00 0.00 179.45 177.43 3bdl s GLU 652 N -4.41 2.72 0.33 3.15 0.41 -1.26 -4.59 118.70 115.04 3bdl s GLU 652 Ca -0.13 -0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 53.40 3bdl s GLU 652 Cb 0.02 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.63 3bdl s GLU 652 CO 0.49 0.55 0.97 0.50 -0.49 0.00 0.00 175.26 177.28 3bdl s ARG 653 N -2.34 4.53 0.00 1.61 3.52 -1.26 -4.90 118.95 120.10 3bdl s ARG 653 Ca 0.27 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 3bdl s ARG 653 Cb -0.12 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 3bdl s ARG 653 CO 0.20 0.21 0.41 -1.13 -0.81 0.00 0.00 175.30 174.18 3bdl n SER 654 N 0.51 0.00 -2.87 -2.12 3.41 -1.26 -4.95 113.62 106.34 3bdl n SER 654 Ca 0.02 0.41 -0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3bdl n SER 654 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3bdl n SER 654 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdl n ALA 655 N -1.36 -2.38 -3.18 7.33 0.00 -1.26 -5.03 120.51 114.63 3bdl n ALA 655 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3bdl n ALA 655 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3bdl n ALA 655 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bdl s SER 656 N -2.88 0.46 -0.04 0.00 0.15 -1.26 -5.13 113.70 104.99 3bdl s SER 656 Ca 0.00 -2.40 -0.30 0.00 0.70 0.00 0.00 55.95 53.95 3bdl s SER 656 Cb -0.00 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 3bdl s SER 656 CO 0.66 -0.15 1.09 -0.31 1.20 0.00 0.00 173.24 175.74 3bdl s TYR 657 N 0.54 3.43 0.09 3.44 2.02 -1.26 -4.54 117.35 121.08 3bdl s TYR 657 Ca 0.29 1.45 0.09 0.00 -0.37 0.00 0.00 57.07 58.53 3bdl s TYR 657 Cb -0.01 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3bdl s TYR 657 CO -0.12 -0.69 -0.22 0.15 -1.57 0.00 0.00 175.55 173.09 3bdl s LYS 658 N 1.69 1.26 0.08 -0.62 1.02 -0.46 -4.81 119.74 117.90 3bdl s LYS 658 Ca 0.53 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 3bdl s LYS 658 Cb -0.23 -1.54 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 3bdl s LYS 658 CO 0.23 0.37 1.36 -1.25 -0.92 0.00 0.00 175.35 175.14 3bdl s PRO 659 N -1.77 4.33 0.07 -1.68 0.04 -1.26 -0.44 135.00 134.29 3bdl s PRO 659 Ca 0.08 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.14 3bdl s PRO 659 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 3bdl s PRO 659 CO 0.04 -0.43 -0.05 0.14 0.04 0.00 0.00 177.00 176.73 3bdl s VAL 660 N 1.35 0.46 -0.26 -0.36 -7.23 -0.23 -2.99 120.40 111.14 3bdl s VAL 660 Ca 0.64 -1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 3bdl s VAL 660 Cb -0.35 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.22 3bdl s VAL 660 CO 0.29 -0.83 -0.01 0.12 -0.31 0.00 0.00 175.10 174.37 3bdl s PHE 661 N -3.28 3.07 -0.32 2.82 5.36 0.17 -0.80 117.98 125.00 3bdl s PHE 661 Ca 0.05 -1.18 -0.29 0.00 -0.96 0.00 0.00 56.93 54.55 3bdl s PHE 661 Cb 0.03 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.59 3bdl s PHE 661 CO -0.06 -0.62 1.09 0.08 -1.46 0.00 0.00 175.22 174.25 3bdl s VAL 662 N 1.43 4.48 -0.21 3.12 1.01 -0.60 -0.67 120.40 128.96 3bdl s VAL 662 Ca 0.02 1.70 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3bdl s VAL 662 Cb -0.16 -4.41 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 3bdl s VAL 662 CO -0.02 -0.50 0.01 0.35 0.00 0.00 0.00 175.10 174.94 3bdl n THR 663 N 5.92 1.52 -3.84 3.92 -2.24 -0.23 0.30 114.28 119.63 3bdl n THR 663 Ca 0.12 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3bdl n THR 663 Cb 0.47 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 3bdl n THR 663 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bdl s GLU 664 N -2.52 0.30 -0.13 -0.78 0.41 -1.20 -4.52 118.70 110.26 3bdl s GLU 664 Ca -0.24 -0.03 0.01 0.00 -0.41 0.00 0.00 54.97 54.29 3bdl s GLU 664 Cb 0.08 0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.55 3bdl s GLU 664 CO 0.70 -0.06 -0.16 0.42 -0.49 0.00 0.00 175.26 175.67 3bdl s ILE 665 N -0.51 2.74 0.45 -1.63 -1.09 -1.26 -1.04 121.20 118.87 3bdl s ILE 665 Ca -0.06 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3bdl s ILE 665 Cb -0.04 -2.13 -0.00 0.00 -1.58 0.00 0.00 42.46 38.71 3bdl s ILE 665 CO 0.01 0.53 0.67 0.42 -1.23 0.00 0.00 174.94 175.34 3bdl s THR 666 N 0.41 3.92 0.29 2.92 -4.23 0.11 -4.97 115.64 114.07 3bdl s THR 666 Ca -0.12 -0.51 0.37 0.00 -1.18 0.00 0.00 61.69 60.25 3bdl s THR 666 Cb -0.16 -3.45 0.40 0.00 1.34 0.00 0.00 72.50 70.63 3bdl s THR 666 CO 0.06 -0.31 2.12 0.44 -0.54 0.00 0.00 174.62 176.38 3bdl h ASP 667 N 0.38 0.00 -0.83 3.99 3.32 -1.99 -2.31 116.42 118.99 3bdl h ASP 667 Ca -0.46 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.23 3bdl h ASP 667 Cb 1.26 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.59 3bdl h ASP 667 CO 0.57 0.00 0.43 -0.90 -1.72 0.00 0.00 179.24 177.62 3bdl n ASP 668 N -2.99 4.01 -2.57 6.45 5.68 -1.26 -4.82 116.55 121.04 3bdl n ASP 668 Ca -0.01 -3.48 -0.20 0.00 -0.50 0.00 0.00 54.79 50.60 3bdl n ASP 668 Cb 0.19 -0.78 0.02 0.00 -1.14 0.00 0.00 41.12 39.41 3bdl n ASP 668 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3bdl n LEU 669 N -0.78 -2.38 -4.81 -2.12 4.77 -0.87 -4.98 117.00 105.83 3bdl n LEU 669 Ca 0.50 -0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 3bdl n LEU 669 Cb 1.49 -2.74 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 3bdl n LEU 669 CO 0.50 0.09 -0.09 -1.00 -1.33 0.00 0.00 177.39 175.55 3bdl s HIS 670 N -3.07 2.72 0.08 -1.77 3.76 -1.26 -4.47 115.29 111.29 3bdl s HIS 670 Ca 0.19 -0.45 -0.15 0.00 -0.15 0.00 0.00 55.06 54.50 3bdl s HIS 670 Cb -0.09 -1.94 0.03 0.00 1.11 0.00 0.00 32.58 31.69 3bdl s HIS 670 CO 0.24 0.11 0.35 -0.59 -0.85 0.00 0.00 174.74 174.00 3bdl s PHE 671 N -2.46 -0.15 -0.02 1.40 -0.71 -0.38 0.05 117.98 115.71 3bdl s PHE 671 Ca 0.43 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.27 3bdl s PHE 671 Cb -0.02 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 3bdl s PHE 671 CO 0.25 -0.61 -0.13 0.71 -1.34 0.00 0.00 175.22 174.11 3bdl s TYR 672 N -3.26 2.73 0.07 3.49 2.02 -0.21 -0.33 117.35 121.87 3bdl s TYR 672 Ca -0.00 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3bdl s TYR 672 Cb 0.01 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3bdl s TYR 672 CO -0.08 0.25 -0.05 0.14 -1.57 0.00 0.00 175.55 174.24 3bdl s VAL 673 N -0.83 0.45 0.14 0.71 -7.23 -0.74 -1.07 120.40 111.83 3bdl s VAL 673 Ca 0.13 -1.82 0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3bdl s VAL 673 Cb -0.11 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 3bdl s VAL 673 CO 0.03 -0.91 -0.24 -1.10 -0.31 0.00 0.00 175.10 172.57 3bdl s GLN 674 N -3.73 1.51 -0.13 4.82 -0.21 0.15 -1.64 119.66 120.42 3bdl s GLN 674 Ca 0.08 -1.33 -0.29 0.00 0.02 0.00 0.00 55.36 53.83 3bdl s GLN 674 Cb 0.06 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 3bdl s GLN 674 CO -0.07 0.45 1.24 0.34 -2.12 0.00 0.00 175.29 175.13 3bdl s ASP 675 N -2.17 6.98 0.40 5.90 -1.08 -1.26 -0.65 116.67 124.79 3bdl s ASP 675 Ca 0.16 1.72 0.09 0.00 -0.52 0.00 0.00 52.55 53.99 3bdl s ASP 675 Cb -0.10 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.64 3bdl s ASP 675 CO 0.08 -0.70 1.96 0.58 0.52 0.00 0.00 175.17 177.60 3bdl h VAL 676 N 5.34 1.15 0.00 1.11 2.07 -1.87 -2.54 116.25 121.51 3bdl h VAL 676 Ca -0.28 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3bdl h VAL 676 Cb 1.12 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3bdl h VAL 676 CO 0.94 0.19 -0.08 -0.33 0.02 0.00 0.00 177.57 178.32 3bdl h GLU 677 N 0.31 0.00 -0.37 1.57 3.07 -1.91 -2.63 114.58 114.62 3bdl h GLU 677 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3bdl h GLU 677 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3bdl h GLU 677 CO 0.01 0.08 0.00 0.25 -1.40 0.00 0.00 179.01 177.95 3bdl n THR 678 N -3.66 1.58 -0.29 1.13 -2.24 -0.96 -4.62 114.28 105.21 3bdl n THR 678 Ca -0.02 -1.33 0.05 0.00 -2.27 0.00 0.00 64.05 60.47 3bdl n THR 678 Cb 0.19 0.18 0.26 0.00 -2.10 0.00 0.00 70.33 68.86 3bdl n THR 678 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bdl h GLY 679 N 2.32 1.28 1.50 3.38 0.00 -1.38 -1.81 103.07 108.37 3bdl h GLY 679 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3bdl h GLY 679 CO 0.12 0.28 -0.19 -0.84 0.00 0.00 0.00 176.54 175.91 3bdl h THR 680 N 0.99 1.26 -0.54 4.70 2.02 -1.82 -1.75 112.91 117.76 3bdl h THR 680 Ca 0.38 -1.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 3bdl h THR 680 Cb 0.23 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3bdl h THR 680 CO -0.15 0.39 -0.00 1.56 0.37 0.00 0.00 175.52 177.69 3bdl h GLN 681 N 0.52 0.94 -0.44 6.66 1.08 -1.67 -0.02 115.11 122.17 3bdl h GLN 681 Ca 0.08 -0.28 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 3bdl h GLN 681 Cb 0.62 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3bdl h GLN 681 CO 0.04 0.93 -0.05 1.25 -0.95 0.00 0.00 178.83 180.05 3bdl h LEU 682 N 0.86 0.81 -0.44 1.46 5.85 -1.22 -1.39 115.31 121.24 3bdl h LEU 682 Ca 0.16 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3bdl h LEU 682 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3bdl h LEU 682 CO 0.03 0.95 0.28 -0.33 -0.34 0.00 0.00 178.44 179.04 3bdl h GLU 683 N 0.65 0.58 -0.71 1.25 5.08 -0.97 -1.02 114.58 119.44 3bdl h GLU 683 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3bdl h GLU 683 Cb 0.57 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3bdl h GLU 683 CO 0.03 0.39 0.31 0.87 -1.00 0.00 0.00 179.01 179.61 3bdl h LYS 684 N 0.59 1.04 -0.34 2.33 1.57 -0.87 -2.09 116.57 118.80 3bdl h LYS 684 Ca 0.16 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3bdl h LYS 684 Cb -0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3bdl h LYS 684 CO -0.03 0.84 0.14 1.25 -0.57 0.00 0.00 179.45 181.08 3bdl h LEU 685 N 1.00 0.46 -0.89 2.94 5.85 -0.95 -1.48 115.31 122.25 3bdl h LEU 685 Ca 0.24 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3bdl h LEU 685 Cb 0.17 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3bdl h LEU 685 CO -0.02 0.50 0.55 0.24 -0.34 0.00 0.00 178.44 179.37 3bdl h MET 686 N 0.40 1.19 -0.13 1.25 2.86 -1.01 0.32 114.93 119.80 3bdl h MET 686 Ca 0.11 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3bdl h MET 686 Cb 0.18 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3bdl h MET 686 CO -0.01 0.82 0.03 0.93 1.06 0.00 0.00 176.91 179.75 3bdl h GLU 687 N 1.21 0.21 -0.23 1.72 4.39 -1.21 0.10 114.58 120.78 3bdl h GLU 687 Ca 0.32 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.98 3bdl h GLU 687 Cb -0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3bdl h GLU 687 CO -0.06 0.36 0.14 -0.91 -1.16 0.00 0.00 179.01 177.38 3bdl h ASN 688 N 0.02 0.23 -0.08 1.42 -0.26 -0.91 -0.42 115.58 115.57 3bdl h ASN 688 Ca 0.04 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3bdl h ASN 688 Cb 0.25 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3bdl h ASN 688 CO -0.00 0.17 0.03 -0.03 -1.06 0.00 0.00 177.43 176.54 3bdl h MET 689 N 0.28 0.12 -0.30 0.81 4.05 -0.28 -1.27 114.93 118.34 3bdl h MET 689 Ca 0.09 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 3bdl h MET 689 Cb -0.01 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3bdl h MET 689 CO -0.03 0.25 -0.04 0.00 0.23 0.00 0.00 176.91 177.32 3bdl h ARG 690 N -0.04 0.47 -0.21 0.39 3.08 -0.72 0.55 114.38 117.90 3bdl h ARG 690 Ca 0.03 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 3bdl h ARG 690 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3bdl h ARG 690 CO -0.00 0.53 -0.46 -0.91 -1.07 0.00 0.00 179.97 178.05 3bdl h ASN 691 N 0.45 0.57 -0.25 7.04 2.35 -0.93 -0.80 115.58 124.01 3bdl h ASN 691 Ca 0.09 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 3bdl h ASN 691 Cb 0.36 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3bdl h ASN 691 CO 0.01 0.95 -0.31 -0.78 -1.65 0.00 0.00 177.43 175.65 3bdl h ASP 692 N 0.42 0.78 -0.45 5.81 1.82 -0.39 -2.55 116.42 121.86 3bdl h ASP 692 Ca 0.03 -0.32 -0.10 0.00 -0.39 0.00 0.00 57.03 56.25 3bdl h ASP 692 Cb 0.97 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 3bdl h ASP 692 CO 0.09 1.03 -0.11 0.40 -1.61 0.00 0.00 179.24 179.04 3bdl h ILE 693 N 0.64 1.26 -0.05 2.25 2.04 -0.70 -0.40 117.51 122.55 3bdl h ILE 693 Ca 0.07 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3bdl h ILE 693 Cb 0.83 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3bdl h ILE 693 CO 0.07 0.43 -0.15 0.00 0.00 0.00 0.00 178.15 178.50 3bdl h ALA 694 N 1.05 1.67 0.00 1.87 0.00 -0.97 -1.11 119.26 121.77 3bdl h ALA 694 Ca 0.13 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3bdl h ALA 694 Cb 0.63 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3bdl h ALA 694 CO 0.04 0.24 -1.23 0.77 0.00 0.00 0.00 179.25 179.08 3bdl h SER 695 N 0.07 0.00 -2.26 0.00 0.02 -1.06 -3.40 113.55 106.92 3bdl h SER 695 Ca 0.01 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.38 3bdl h SER 695 Cb 0.31 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.45 3bdl h SER 695 CO 0.02 0.85 -0.91 1.41 -1.14 0.00 0.00 176.83 177.07 3bdl n HIS 696 N -3.15 0.75 -1.71 3.45 8.25 -0.20 -5.11 115.22 117.51 3bdl n HIS 696 Ca -0.07 -3.71 -0.43 0.00 -0.26 0.00 0.00 57.72 53.25 3bdl n HIS 696 Cb 0.93 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.74 3bdl n HIS 696 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3bdl n PRO 697 N 1.71 2.46 -2.16 -0.41 -0.02 -0.47 -4.64 135.00 131.47 3bdl n PRO 697 Ca 0.25 0.88 -0.39 0.00 -2.02 0.00 0.00 63.50 62.22 3bdl n PRO 697 Cb 0.47 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 3bdl n PRO 697 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bdl s PRO 698 N 0.27 3.96 -0.35 0.52 0.04 -1.26 -4.94 135.00 133.23 3bdl s PRO 698 Ca 0.71 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.46 3bdl s PRO 698 Cb -0.57 -2.68 0.02 0.00 0.04 0.00 0.00 34.50 31.30 3bdl s PRO 698 CO 0.42 -0.45 1.17 0.08 0.04 0.00 0.00 177.00 178.26 3bdl s VAL 699 N -1.34 4.31 0.03 -0.36 1.01 -1.26 -4.97 120.40 117.82 3bdl s VAL 699 Ca 0.58 1.46 -0.35 0.00 0.00 0.00 0.00 61.98 63.67 3bdl s VAL 699 Cb -0.34 -4.38 -0.14 0.00 0.00 0.00 0.00 36.38 31.52 3bdl s VAL 699 CO 0.44 -0.61 1.66 -1.84 0.00 0.00 0.00 175.10 174.75 3bdl n GLU 700 N 7.26 1.93 -0.54 2.72 0.00 -1.26 -2.09 120.64 128.66 3bdl n GLU 700 Ca 0.13 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.99 3bdl n GLU 700 Cb 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.44 3bdl n GLU 700 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3bdl n GLY 701 N 3.70 1.76 1.66 -1.84 0.00 -1.26 -4.89 105.19 104.32 3bdl n GLY 701 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3bdl n GLY 701 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bdl n SER 702 N 0.00 4.30 -3.74 1.61 3.41 -0.89 -4.82 113.62 113.48 3bdl n SER 702 Ca 0.00 -2.85 -0.27 0.00 -0.26 0.00 0.00 58.87 55.49 3bdl n SER 702 Cb 0.00 -0.67 -0.17 0.00 -0.26 0.00 0.00 64.21 63.11 3bdl n SER 702 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3bdl s TYR 703 N -2.37 0.95 -0.55 7.33 5.04 -1.26 -4.99 117.35 121.50 3bdl s TYR 703 Ca 0.42 -0.73 -0.10 0.00 -2.44 0.00 0.00 57.07 54.22 3bdl s TYR 703 Cb 0.33 -0.98 0.14 0.00 0.35 0.00 0.00 41.96 41.79 3bdl s TYR 703 CO 0.11 -0.56 0.44 0.00 -1.34 0.00 0.00 175.55 174.20 3bdl s ALA 704 N 1.88 3.56 0.55 3.97 0.00 -1.26 -4.84 121.76 125.61 3bdl s ALA 704 Ca 0.00 -2.75 -0.21 0.00 0.00 0.00 0.00 51.96 49.01 3bdl s ALA 704 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3bdl s ALA 704 CO -0.08 -2.00 1.25 -2.14 0.00 0.00 0.00 175.76 172.80 3bdl s PRO 705 N 1.04 3.18 -0.02 0.00 0.02 -1.26 -4.94 135.00 133.02 3bdl s PRO 705 Ca 0.09 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.10 3bdl s PRO 705 Cb -0.24 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.11 3bdl s PRO 705 CO -0.02 -1.08 -0.06 0.50 -0.33 0.00 0.00 177.00 176.01 3bdl s ARG 706 N -3.05 2.63 0.16 5.54 3.52 -1.26 -4.98 118.95 121.51 3bdl s ARG 706 Ca 0.73 -0.66 -0.34 0.00 -0.13 0.00 0.00 55.73 55.33 3bdl s ARG 706 Cb -0.34 -2.54 -0.14 0.00 -1.56 0.00 0.00 34.95 30.36 3bdl s ARG 706 CO 0.39 0.62 1.48 -2.13 -0.81 0.00 0.00 175.30 174.85 3bdl n ARG 707 N 1.74 1.89 0.00 5.12 0.63 -1.26 -1.59 116.66 123.19 3bdl n ARG 707 Ca -0.16 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 3bdl n ARG 707 Cb 0.53 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.04 3bdl n ARG 707 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bdl n GLY 708 N 2.95 1.46 3.78 5.14 0.00 0.46 -4.98 105.19 114.00 3bdl n GLY 708 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3bdl n GLY 708 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bdl s GLU 709 N -0.58 4.20 0.42 1.61 2.12 -0.62 -4.72 118.70 121.12 3bdl s GLU 709 Ca 0.00 1.48 -0.12 0.00 0.36 0.00 0.00 54.97 56.69 3bdl s GLU 709 Cb 0.00 -2.54 -0.07 0.00 0.26 0.00 0.00 34.13 31.78 3bdl s GLU 709 CO 0.00 -0.11 0.80 -0.06 -0.54 0.00 0.00 175.26 175.36 3bdl s PHE 710 N -1.69 3.46 0.12 5.30 0.08 -1.26 -1.10 117.98 122.90 3bdl s PHE 710 Ca 0.58 1.13 -0.17 0.00 0.12 0.00 0.00 56.93 58.58 3bdl s PHE 710 Cb -0.21 -2.51 0.06 0.00 -0.57 0.00 0.00 43.02 39.79 3bdl s PHE 710 CO 0.26 -0.14 0.80 0.00 -0.10 0.00 0.00 175.22 176.05 3bdl s ILE 712 N -2.17 3.03 0.00 0.00 -4.36 -0.15 0.06 121.20 117.61 3bdl s ILE 712 Ca 0.18 -1.07 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 3bdl s ILE 712 Cb -0.02 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 3bdl s ILE 712 CO 0.04 0.35 -0.10 0.00 0.24 0.00 0.00 174.94 175.47 3bdl s ALA 713 N -0.95 0.82 -0.45 2.27 0.00 0.46 -1.10 121.76 122.80 3bdl s ALA 713 Ca 0.15 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 3bdl s ALA 713 Cb -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3bdl s ALA 713 CO 0.06 0.18 0.60 0.21 0.00 0.00 0.00 175.76 176.81 3bdl s LYS 714 N -0.48 3.21 0.99 0.00 2.20 -0.32 -0.75 119.74 124.58 3bdl s LYS 714 Ca 0.02 -0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 54.93 3bdl s LYS 714 Cb -0.05 -3.99 0.19 0.00 -1.51 0.00 0.00 37.83 32.47 3bdl s LYS 714 CO -0.00 -1.03 1.16 0.12 -0.36 0.00 0.00 175.35 175.23 3bdl s PHE 715 N 2.67 1.89 0.60 4.03 5.36 -0.44 -4.88 117.98 127.21 3bdl s PHE 715 Ca 0.19 0.70 0.35 0.00 -0.96 0.00 0.00 56.93 57.21 3bdl s PHE 715 Cb -0.16 -3.51 2.01 0.00 -0.34 0.00 0.00 43.02 41.03 3bdl s PHE 715 CO 0.16 -2.79 2.29 -0.39 -1.46 0.00 0.00 175.22 173.03 3bdl h VAL 716 N -1.80 0.34 0.00 3.12 -1.51 -1.97 0.13 116.25 114.56 3bdl h VAL 716 Ca -0.49 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3bdl h VAL 716 Cb 1.31 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3bdl h VAL 716 CO 0.52 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 175.97 3bdl n ASP 717 N -3.56 0.00 0.00 4.19 5.68 -1.26 -4.86 116.55 116.74 3bdl n ASP 717 Ca -0.03 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 3bdl n ASP 717 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3bdl n ASP 717 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bdl n GLY 718 N 0.76 0.71 3.89 6.12 0.00 0.03 -5.03 105.19 111.66 3bdl n GLY 718 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3bdl n GLY 718 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bdl s GLU 719 N -0.09 3.25 0.08 1.61 0.41 -1.26 -4.86 118.70 117.84 3bdl s GLU 719 Ca 0.00 -0.65 -0.15 0.00 -0.41 0.00 0.00 54.97 53.76 3bdl s GLU 719 Cb 0.00 -2.88 -0.06 0.00 -1.78 0.00 0.00 34.13 29.41 3bdl s GLU 719 CO 0.00 0.53 0.50 -1.58 -0.49 0.00 0.00 175.26 174.22 3bdl s TRP 720 N -1.67 3.70 0.09 1.61 0.52 -1.26 -1.33 118.94 120.59 3bdl s TRP 720 Ca 0.33 1.08 0.01 0.00 0.02 0.00 0.00 56.10 57.54 3bdl s TRP 720 Cb -0.11 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 3bdl s TRP 720 CO 0.26 0.55 -0.06 0.71 0.02 0.00 0.00 176.95 178.43 3bdl s TYR 721 N -1.24 0.81 0.26 -1.98 2.02 0.07 -4.93 117.35 112.35 3bdl s TYR 721 Ca 0.31 -0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 55.81 3bdl s TYR 721 Cb -0.17 -0.48 -0.09 0.00 -0.40 0.00 0.00 41.96 40.82 3bdl s TYR 721 CO 0.17 -0.18 1.04 1.03 -1.57 0.00 0.00 175.55 176.04 3bdl s ARG 722 N -3.64 4.72 0.26 -0.62 0.52 -1.26 -0.40 118.95 118.52 3bdl s ARG 722 Ca 0.09 1.68 -0.09 0.00 -0.52 0.00 0.00 55.73 56.89 3bdl s ARG 722 Cb 0.04 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 3bdl s ARG 722 CO -0.05 0.32 0.43 0.00 0.02 0.00 0.00 175.30 176.02 3bdl s ALA 723 N -1.11 0.17 -0.03 2.13 0.00 0.11 -2.86 121.76 120.16 3bdl s ALA 723 Ca 0.43 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3bdl s ALA 723 Cb -0.30 1.13 0.01 0.00 0.00 0.00 0.00 23.12 23.96 3bdl s ALA 723 CO 0.37 -0.80 -0.07 0.50 0.00 0.00 0.00 175.76 175.76 3bdl s ARG 724 N -3.82 0.90 -0.09 0.00 3.52 -0.32 -0.76 118.95 118.38 3bdl s ARG 724 Ca 0.26 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 3bdl s ARG 724 Cb 0.01 -0.85 -0.02 0.00 -1.56 0.00 0.00 34.95 32.52 3bdl s ARG 724 CO 0.12 0.05 1.11 0.08 -0.81 0.00 0.00 175.30 175.85 3bdl s VAL 725 N 0.41 4.50 -0.16 7.11 1.01 -0.25 -1.00 120.40 132.01 3bdl s VAL 725 Ca -0.06 1.80 0.15 0.00 0.00 0.00 0.00 61.98 63.87 3bdl s VAL 725 Cb -0.10 -4.16 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 3bdl s VAL 725 CO 0.01 -0.01 0.07 -0.62 0.00 0.00 0.00 175.10 174.54 3bdl n GLU 726 N 5.21 1.26 -3.66 2.72 1.02 0.73 -0.41 120.64 127.52 3bdl n GLU 726 Ca 0.10 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 3bdl n GLU 726 Cb 0.47 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 3bdl n GLU 726 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3bdl s LYS 727 N -2.44 0.69 -0.52 3.49 2.20 -1.14 -4.75 119.74 117.26 3bdl s LYS 727 Ca -0.08 0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 56.48 3bdl s LYS 727 Cb 0.05 0.25 0.14 0.00 -1.51 0.00 0.00 37.83 36.76 3bdl s LYS 727 CO 0.68 -0.11 0.31 0.08 -0.36 0.00 0.00 175.35 175.95 3bdl s VAL 728 N 0.85 3.34 0.00 4.02 1.01 -1.26 -0.36 120.40 128.01 3bdl s VAL 728 Ca -0.04 -2.66 -0.20 0.00 0.00 0.00 0.00 61.98 59.08 3bdl s VAL 728 Cb -0.05 -3.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.87 3bdl s VAL 728 CO -0.07 -0.79 1.13 -0.08 0.00 0.00 0.00 175.10 175.30 3bdl h GLU 729 N 7.35 0.38 -2.23 2.72 4.81 -1.69 -3.48 114.58 122.44 3bdl h GLU 729 Ca -0.06 -0.36 0.20 0.00 -0.13 0.00 0.00 59.36 59.01 3bdl h GLU 729 Cb 0.98 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.37 3bdl h GLU 729 CO 0.69 1.02 0.55 -1.54 -0.73 0.00 0.00 179.01 179.00 3bdl s SER 730 N -6.59 -0.14 0.58 1.04 1.04 -1.12 -4.91 113.70 103.61 3bdl s SER 730 Ca -0.14 -0.40 0.27 0.00 0.48 0.00 0.00 55.95 56.17 3bdl s SER 730 Cb 0.04 0.44 1.60 0.00 0.10 0.00 0.00 66.02 68.20 3bdl s SER 730 CO 0.80 -0.82 2.10 -0.65 0.98 0.00 0.00 173.24 175.65 3bdl h PRO 731 N 2.00 0.00 -0.00 4.02 0.11 -1.96 -0.70 132.00 135.46 3bdl h PRO 731 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3bdl h PRO 731 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3bdl h PRO 731 CO 0.27 0.00 -0.73 0.00 -0.21 0.00 0.00 178.00 177.33 3bdl n ALA 732 N -2.39 4.11 -3.70 -0.75 0.00 -1.26 -0.64 120.51 115.89 3bdl n ALA 732 Ca 0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 3bdl n ALA 732 Cb 0.32 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 3bdl n ALA 732 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3bdl s LYS 733 N -2.95 1.50 -0.24 0.00 1.02 -0.27 -3.15 119.74 115.65 3bdl s LYS 733 Ca 0.11 -2.34 -0.06 0.00 0.02 0.00 0.00 55.97 53.69 3bdl s LYS 733 Cb 0.17 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 3bdl s LYS 733 CO 0.77 -1.23 0.04 0.42 -0.92 0.00 0.00 175.35 174.43 3bdl s ILE 734 N -0.13 4.09 -0.23 2.17 -1.09 0.24 -1.58 121.20 124.68 3bdl s ILE 734 Ca 0.22 -0.25 -0.23 0.00 -2.23 0.00 0.00 60.65 58.16 3bdl s ILE 734 Cb -0.15 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 3bdl s ILE 734 CO -0.07 0.36 0.77 -1.00 -1.23 0.00 0.00 174.94 173.77 3bdl s HIS 735 N 1.57 3.33 0.25 3.97 3.76 0.52 -0.49 115.29 128.19 3bdl s HIS 735 Ca 0.06 1.06 0.10 0.00 -0.15 0.00 0.00 55.06 56.14 3bdl s HIS 735 Cb -0.15 -2.98 -0.05 0.00 1.11 0.00 0.00 32.58 30.52 3bdl s HIS 735 CO 0.02 -0.34 -0.17 0.14 -0.85 0.00 0.00 174.74 173.53 3bdl s VAL 736 N 2.59 2.17 -0.12 -0.90 -7.23 -0.25 -0.19 120.40 116.46 3bdl s VAL 736 Ca 0.33 -2.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3bdl s VAL 736 Cb -0.16 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.60 3bdl s VAL 736 CO 0.08 -0.48 -0.12 0.12 -0.31 0.00 0.00 175.10 174.40 3bdl s PHE 737 N -2.70 1.81 -0.69 2.82 5.36 -0.17 -2.15 117.98 122.25 3bdl s PHE 737 Ca 0.27 -0.91 -0.27 0.00 -0.96 0.00 0.00 56.93 55.06 3bdl s PHE 737 Cb -0.03 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 3bdl s PHE 737 CO 0.12 -0.53 1.26 0.71 -1.46 0.00 0.00 175.22 175.32 3bdl s TYR 738 N 1.36 2.38 0.63 10.12 2.02 -0.66 -1.18 117.35 132.02 3bdl s TYR 738 Ca 0.00 0.10 0.35 0.00 -0.37 0.00 0.00 57.07 57.15 3bdl s TYR 738 Cb -0.14 -4.59 1.96 0.00 -0.40 0.00 0.00 41.96 38.79 3bdl s TYR 738 CO -0.06 -1.93 2.19 -0.84 -1.57 0.00 0.00 175.55 173.34 3bdl h ILE 739 N 6.08 0.23 -0.00 2.71 3.07 -1.86 0.11 117.51 127.84 3bdl h ILE 739 Ca -0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3bdl h ILE 739 Cb 1.05 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 3bdl h ILE 739 CO 1.25 0.00 -0.77 0.47 -1.05 0.00 0.00 178.15 178.05 3bdl n ASP 740 N -3.39 1.07 0.00 2.16 8.00 -1.26 -1.98 116.55 121.15 3bdl n ASP 740 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3bdl n ASP 740 Cb 0.21 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 3bdl n ASP 740 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3bdl n TYR 741 N -1.21 0.00 0.00 1.24 4.01 -0.82 -3.54 117.16 116.84 3bdl n TYR 741 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3bdl n TYR 741 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3bdl n TYR 741 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdl n GLY 742 N 2.74 0.71 3.89 2.72 0.00 0.31 -4.37 105.19 111.19 3bdl n GLY 742 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3bdl n GLY 742 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdl s ASN 743 N -1.86 6.27 0.19 1.61 4.22 -1.26 -4.83 114.94 119.29 3bdl s ASN 743 Ca 0.00 1.11 0.10 0.00 -2.14 0.00 0.00 52.86 51.93 3bdl s ASN 743 Cb 0.00 -2.33 -0.04 0.00 1.28 0.00 0.00 41.25 40.16 3bdl s ASN 743 CO 0.00 -0.66 -0.20 -0.13 -2.04 0.00 0.00 177.10 174.06 3bdl s ARG 744 N -4.83 1.42 -0.05 3.55 0.52 -1.26 -1.65 118.95 116.65 3bdl s ARG 744 Ca 0.50 -1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 3bdl s ARG 744 Cb -0.11 -1.57 0.06 0.00 0.52 0.00 0.00 34.95 33.85 3bdl s ARG 744 CO 0.47 0.32 0.58 -2.00 0.02 0.00 0.00 175.30 174.69 3bdl s GLU 745 N -2.88 0.94 -0.28 3.54 2.12 -0.91 -5.01 118.70 116.22 3bdl s GLU 745 Ca 0.20 0.15 -0.09 0.00 0.36 0.00 0.00 54.97 55.59 3bdl s GLU 745 Cb -0.06 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 3bdl s GLU 745 CO 0.09 -0.28 0.13 0.08 -0.54 0.00 0.00 175.26 174.73 3bdl s VAL 746 N -1.19 4.60 0.21 3.70 1.01 -1.26 -1.09 120.40 126.38 3bdl s VAL 746 Ca -0.11 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3bdl s VAL 746 Cb -0.02 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3bdl s VAL 746 CO 0.08 0.20 -0.07 -0.76 0.00 0.00 0.00 175.10 174.55 3bdl s LEU 747 N 1.64 2.41 0.44 3.92 1.43 0.36 -4.84 118.68 124.04 3bdl s LEU 747 Ca 0.06 -1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 51.89 3bdl s LEU 747 Cb -0.16 -0.45 -0.08 0.00 0.03 0.00 0.00 46.19 45.53 3bdl s LEU 747 CO 0.06 -0.36 0.88 -2.16 0.23 0.00 0.00 176.35 175.00 3bdl s PRO 748 N -3.76 3.94 0.66 1.29 0.04 -1.19 0.82 135.00 136.81 3bdl s PRO 748 Ca 0.24 0.78 0.41 0.00 0.04 0.00 0.00 61.00 62.48 3bdl s PRO 748 Cb 0.03 -2.27 2.24 0.00 0.04 0.00 0.00 34.50 34.55 3bdl s PRO 748 CO 0.07 -0.10 2.29 0.66 0.04 0.00 0.00 177.00 179.96 3bdl h SER 749 N 1.36 0.00 0.63 6.66 4.64 -1.14 -0.91 113.55 124.79 3bdl h SER 749 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3bdl h SER 749 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3bdl h SER 749 CO 0.63 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 3bdl n THR 750 N -3.13 0.87 -1.01 2.95 -2.24 -1.26 -2.02 114.28 108.43 3bdl n THR 750 Ca -0.03 0.29 0.06 0.00 -2.27 0.00 0.00 64.05 62.11 3bdl n THR 750 Cb 0.13 -1.23 0.29 0.00 -2.10 0.00 0.00 70.33 67.42 3bdl n THR 750 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bdl n ARG 751 N -2.21 3.29 -4.37 -0.78 1.74 -0.35 -4.62 116.66 109.37 3bdl n ARG 751 Ca 0.02 -2.95 -0.24 0.00 -0.77 0.00 0.00 57.85 53.91 3bdl n ARG 751 Cb 0.20 -1.96 -0.11 0.00 -1.02 0.00 0.00 32.46 29.57 3bdl n ARG 751 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bdl s LEU 752 N -2.86 2.43 0.32 0.55 1.43 -0.86 -1.18 118.68 118.52 3bdl s LEU 752 Ca 0.46 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3bdl s LEU 752 Cb 0.37 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.64 3bdl s LEU 752 CO 0.10 0.03 0.57 -0.83 0.23 0.00 0.00 176.35 176.45 3bdl s GLY 753 N -2.63 0.86 0.31 -3.19 0.00 -0.26 -4.89 107.32 97.52 3bdl s GLY 753 Ca 0.17 -1.09 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 3bdl s GLY 753 CO 0.08 -0.67 0.87 -0.51 0.00 0.00 0.00 173.10 172.86 3bdl s THR 754 N -3.17 4.37 -0.38 0.90 -4.23 -1.26 -0.98 115.64 110.89 3bdl s THR 754 Ca 0.23 1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 62.15 3bdl s THR 754 Cb -0.02 -3.89 0.01 0.00 1.34 0.00 0.00 72.50 69.94 3bdl s THR 754 CO 0.14 0.08 0.41 -0.22 -0.54 0.00 0.00 174.62 174.50 3bdl s LEU 755 N -2.22 4.65 0.48 4.79 2.96 -1.26 -4.48 118.68 123.60 3bdl s LEU 755 Ca 0.50 -0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 53.73 3bdl s LEU 755 Cb -0.16 -2.38 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 3bdl s LEU 755 CO 0.21 -0.47 1.33 -0.55 -1.32 0.00 0.00 176.35 175.54 3bdl s SER 756 N 1.77 5.75 0.48 3.68 0.15 -1.26 -4.87 113.70 119.41 3bdl s SER 756 Ca 0.12 2.69 0.21 0.00 0.70 0.00 0.00 55.95 59.67 3bdl s SER 756 Cb -0.17 -2.63 1.24 0.00 -1.71 0.00 0.00 66.02 62.75 3bdl s SER 756 CO 0.13 -1.23 1.96 -0.65 1.20 0.00 0.00 173.24 174.64 3bdl h PRO 757 N 1.97 0.18 0.00 5.44 0.11 -1.98 -0.22 132.00 137.50 3bdl h PRO 757 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bdl h PRO 757 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3bdl h PRO 757 CO 0.60 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 3bdl n ALA 758 N -2.59 1.28 -0.71 -0.75 0.00 -1.26 -2.28 120.51 114.20 3bdl n ALA 758 Ca 0.12 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.75 3bdl n ALA 758 Cb 0.58 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.73 3bdl n ALA 758 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bdl n PHE 759 N -2.27 0.00 -1.75 0.00 3.72 -0.11 -4.85 117.46 112.21 3bdl n PHE 759 Ca -0.00 -0.57 -0.22 0.00 -0.05 0.00 0.00 57.45 56.61 3bdl n PHE 759 Cb 0.11 -0.08 0.15 0.00 -0.94 0.00 0.00 39.48 38.72 3bdl n PHE 759 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3bdl n SER 760 N -0.73 0.13 0.00 4.37 3.41 -0.97 -4.79 113.62 115.04 3bdl n SER 760 Ca 0.06 -1.39 0.08 0.00 -0.26 0.00 0.00 58.87 57.35 3bdl n SER 760 Cb 0.47 -0.76 0.41 0.00 -0.26 0.00 0.00 64.21 64.06 3bdl n SER 760 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3bdl n THR 761 N -3.35 0.54 0.23 6.66 -2.24 -1.25 -1.25 114.28 113.62 3bdl n THR 761 Ca 0.13 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 3bdl n THR 761 Cb 0.44 -0.87 0.41 0.00 -2.10 0.00 0.00 70.33 68.21 3bdl n THR 761 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3bdl h ARG 762 N 0.00 0.00 0.00 -0.78 3.08 -1.91 -3.35 114.38 111.42 3bdl h ARG 762 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 3bdl h ARG 762 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3bdl h ARG 762 CO 0.00 0.15 -2.00 0.28 -1.07 0.00 0.00 179.97 177.33 3bdl n VAL 763 N -3.23 1.35 -4.05 2.04 0.31 -0.38 -4.98 118.33 109.40 3bdl n VAL 763 Ca 0.01 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 63.89 3bdl n VAL 763 Cb 0.45 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.29 3bdl n VAL 763 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3bdl s LEU 764 N -7.41 1.15 0.81 7.52 2.96 -0.86 -5.06 118.68 117.78 3bdl s LEU 764 Ca -0.32 -0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.26 3bdl s LEU 764 Cb 0.11 -0.63 0.05 0.00 0.50 0.00 0.00 46.19 46.21 3bdl s LEU 764 CO 0.41 -0.10 0.92 -2.65 -1.32 0.00 0.00 176.35 173.61 3bdl n PRO 765 N 4.57 0.13 -1.70 0.98 -0.02 -1.26 -3.95 135.00 133.76 3bdl n PRO 765 Ca -0.16 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.00 3bdl n PRO 765 Cb 0.50 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3bdl n PRO 765 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bdl n ALA 766 N -3.14 2.44 0.27 3.55 0.00 -0.93 -4.88 120.51 117.82 3bdl n ALA 766 Ca 0.12 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.08 3bdl n ALA 766 Cb 0.51 -2.49 0.16 0.00 0.00 0.00 0.00 19.45 17.63 3bdl n ALA 766 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3bdl h GLN 767 N 6.75 0.00 -6.15 0.00 1.08 -1.79 -3.42 115.11 111.57 3bdl h GLN 767 Ca -0.44 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.18 3bdl h GLN 767 Cb 1.22 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.60 3bdl h GLN 767 CO 0.94 0.00 -0.13 0.00 -0.95 0.00 0.00 178.83 178.69 3bdl s ALA 768 N -3.23 3.64 -0.04 3.87 0.00 -0.84 -4.30 121.76 120.87 3bdl s ALA 768 Ca 0.06 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3bdl s ALA 768 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3bdl s ALA 768 CO 0.69 0.46 -0.13 0.99 0.00 0.00 0.00 175.76 177.77 3bdl s THR 769 N -1.20 1.09 -0.04 0.00 2.01 -0.65 -4.93 115.64 111.92 3bdl s THR 769 Ca 0.29 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 3bdl s THR 769 Cb -0.17 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3bdl s THR 769 CO 0.17 0.33 0.64 -0.70 -0.69 0.00 0.00 174.62 174.37 3bdl s GLU 770 N 0.26 4.39 0.12 4.92 2.12 -1.26 -1.78 118.70 127.46 3bdl s GLU 770 Ca -0.06 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.06 3bdl s GLU 770 Cb -0.11 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3bdl s GLU 770 CO 0.02 0.20 0.01 0.71 -0.54 0.00 0.00 175.26 175.65 3bdl s TYR 771 N 0.36 0.88 0.12 5.30 2.02 0.55 -4.28 117.35 122.29 3bdl s TYR 771 Ca 0.34 -1.10 0.04 0.00 -0.37 0.00 0.00 57.07 55.98 3bdl s TYR 771 Cb -0.18 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 3bdl s TYR 771 CO 0.17 -0.36 -0.10 0.00 -1.57 0.00 0.00 175.55 173.69 3bdl s ALA 772 N -3.86 1.24 0.14 3.71 0.00 -0.73 -1.25 121.76 121.01 3bdl s ALA 772 Ca 0.19 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 3bdl s ALA 772 Cb 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 3bdl s ALA 772 CO -0.01 -0.08 1.10 -0.06 0.00 0.00 0.00 175.76 176.72 3bdl s PHE 773 N -2.90 3.58 0.45 0.00 0.08 -1.26 -0.18 117.98 117.75 3bdl s PHE 773 Ca 0.11 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.56 3bdl s PHE 773 Cb 0.00 -3.28 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 3bdl s PHE 773 CO -0.00 -0.65 0.89 0.00 -0.10 0.00 0.00 175.22 175.36 3bdl s ALA 774 N 0.09 3.17 -0.60 5.36 0.00 0.68 -4.12 121.76 126.34 3bdl s ALA 774 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bdl s ALA 774 Cb -0.29 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3bdl s ALA 774 CO 0.33 -0.05 0.00 1.19 0.00 0.00 0.00 175.76 177.23 3bdl n PHE 775 N -1.21 0.00 -4.17 0.00 3.72 -1.26 -4.93 117.46 109.61 3bdl n PHE 775 Ca 0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 3bdl n PHE 775 Cb 0.54 -2.00 -0.12 0.00 -0.94 0.00 0.00 39.48 36.96 3bdl n PHE 775 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3bdl s ILE 776 N -1.70 0.88 -0.19 4.37 -4.36 -1.26 -1.38 121.20 117.56 3bdl s ILE 776 Ca 0.00 -1.10 -0.13 0.00 -0.26 0.00 0.00 60.65 59.16 3bdl s ILE 776 Cb 0.00 -0.86 -0.05 0.00 1.25 0.00 0.00 42.46 42.80 3bdl s ILE 776 CO 0.00 -0.21 0.26 -1.58 0.24 0.00 0.00 174.94 173.66 3bdl s GLN 777 N -1.46 4.20 -0.12 0.37 0.74 0.35 -4.59 119.66 119.15 3bdl s GLN 777 Ca -0.04 0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.09 3bdl s GLN 777 Cb -0.09 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 3bdl s GLN 777 CO 0.01 0.17 1.34 0.08 -0.55 0.00 0.00 175.29 176.34 3bdl s VAL 778 N 0.70 4.10 0.11 1.34 1.01 -1.26 -4.12 120.40 122.28 3bdl s VAL 778 Ca 0.14 1.36 -0.35 0.00 0.00 0.00 0.00 61.98 63.13 3bdl s VAL 778 Cb -0.13 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3bdl s VAL 778 CO 0.04 -0.09 1.32 -2.65 0.00 0.00 0.00 175.10 173.71 3bdl n PRO 779 N 6.42 1.25 0.07 2.72 -0.02 -1.26 -4.88 135.00 139.30 3bdl n PRO 779 Ca 0.14 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 62.01 3bdl n PRO 779 Cb 0.44 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3bdl n PRO 779 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3bdl h GLN 780 N 4.39 0.00 -6.21 -0.52 7.50 -1.98 -3.41 115.11 114.88 3bdl h GLN 780 Ca -0.46 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.12 3bdl h GLN 780 Cb 1.33 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.83 3bdl h GLN 780 CO 0.77 0.92 0.99 0.34 -1.50 0.00 0.00 178.83 180.35 3bdl s ASP 781 N -6.68 6.77 0.19 1.46 -1.08 -1.26 -4.92 116.67 111.14 3bdl s ASP 781 Ca 0.01 1.82 -0.19 0.00 -0.52 0.00 0.00 52.55 53.67 3bdl s ASP 781 Cb 0.10 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 39.16 3bdl s ASP 781 CO 0.81 -0.89 1.60 0.44 0.52 0.00 0.00 175.17 177.64 3bdl h ASP 782 N 9.00 -1.00 -0.84 -0.34 3.32 -1.99 0.19 116.42 124.75 3bdl h ASP 782 Ca -0.31 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3bdl h ASP 782 Cb 1.13 0.52 -0.04 0.00 0.22 0.00 0.00 39.33 41.16 3bdl h ASP 782 CO 0.97 -0.29 0.52 0.44 -1.72 0.00 0.00 179.24 179.17 3bdl h ASP 783 N -0.14 1.01 -0.46 6.45 3.45 -1.97 0.21 116.42 124.96 3bdl h ASP 783 Ca 0.24 -0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 3bdl h ASP 783 Cb 0.53 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 3bdl h ASP 783 CO -0.64 0.77 -0.09 0.00 -1.57 0.00 0.00 179.24 177.71 3bdl h ALA 784 N 1.41 0.63 -0.55 3.45 0.00 -1.56 -2.13 119.26 120.50 3bdl h ALA 784 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3bdl h ALA 784 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3bdl h ALA 784 CO -0.06 0.51 -0.10 -0.09 0.00 0.00 0.00 179.25 179.51 3bdl h ARG 785 N 0.71 1.03 -0.91 0.00 2.43 -0.12 -2.29 114.38 115.23 3bdl h ARG 785 Ca 0.12 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3bdl h ARG 785 Cb 0.62 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3bdl h ARG 785 CO 0.04 1.07 0.52 1.15 -1.51 0.00 0.00 179.97 181.24 3bdl h THR 786 N 0.92 1.26 -0.30 0.20 2.02 -0.47 -0.00 112.91 116.53 3bdl h THR 786 Ca 0.14 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3bdl h THR 786 Cb 0.67 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3bdl h THR 786 CO 0.05 0.28 -0.23 0.44 0.37 0.00 0.00 175.52 176.42 3bdl h ASP 787 N 1.26 0.58 -0.34 4.18 5.19 -1.19 -0.26 116.42 125.85 3bdl h ASP 787 Ca 0.32 -0.20 -0.13 0.00 -0.62 0.00 0.00 57.03 56.40 3bdl h ASP 787 Cb -0.01 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3bdl h ASP 787 CO -0.06 0.81 -0.31 0.00 -3.12 0.00 0.00 179.24 176.57 3bdl h ALA 788 N 1.24 0.49 -0.32 3.45 0.00 -0.84 -2.42 119.26 120.85 3bdl h ALA 788 Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3bdl h ALA 788 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3bdl h ALA 788 CO 0.05 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.17 3bdl h VAL 789 N 0.58 1.23 -0.76 0.00 2.07 -0.80 -2.28 116.25 116.28 3bdl h VAL 789 Ca 0.06 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3bdl h VAL 789 Cb 0.88 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3bdl h VAL 789 CO 0.08 0.26 0.50 0.44 0.02 0.00 0.00 177.57 178.87 3bdl h ASP 790 N 0.35 0.84 -0.14 0.57 3.32 -1.02 0.66 116.42 121.01 3bdl h ASP 790 Ca 0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3bdl h ASP 790 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3bdl h ASP 790 CO 0.00 0.59 0.04 -1.28 -1.72 0.00 0.00 179.24 176.87 3bdl h SER 791 N 0.98 0.21 -0.37 6.45 0.87 -1.21 -1.78 113.55 118.70 3bdl h SER 791 Ca 0.29 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3bdl h SER 791 Cb -0.03 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3bdl h SER 791 CO -0.08 0.37 0.12 0.58 -0.53 0.00 0.00 176.83 177.29 3bdl h VAL 792 N 0.03 1.21 -0.18 2.23 2.07 -0.89 -0.94 116.25 119.78 3bdl h VAL 792 Ca 0.04 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3bdl h VAL 792 Cb 0.24 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3bdl h VAL 792 CO -0.00 0.24 -0.10 0.58 0.02 0.00 0.00 177.57 178.31 3bdl h VAL 793 N 0.45 0.69 -0.94 2.57 2.07 -0.84 0.23 116.25 120.48 3bdl h VAL 793 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3bdl h VAL 793 Cb 0.25 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3bdl h VAL 793 CO -0.00 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.11 3bdl h ARG 794 N -0.09 1.20 0.12 1.57 2.43 -1.15 -1.83 114.38 116.62 3bdl h ARG 794 Ca 0.10 -0.07 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 3bdl h ARG 794 Cb 0.24 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3bdl h ARG 794 CO -0.24 0.79 -1.36 -0.44 -1.51 0.00 0.00 179.97 177.21 3bdl h ASP 795 N 1.24 0.38 0.00 -3.80 3.32 -0.54 -3.43 116.42 113.59 3bdl h ASP 795 Ca 0.36 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3bdl h ASP 795 Cb -0.08 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3bdl h ASP 795 CO -0.09 1.37 -0.24 2.30 -1.72 0.00 0.00 179.24 180.85 3bdl n ILE 796 N -3.48 0.00 -1.70 0.35 -5.35 0.76 -4.99 119.36 104.95 3bdl n ILE 796 Ca -0.12 -0.14 -0.44 0.00 -0.27 0.00 0.00 62.75 61.78 3bdl n ILE 796 Cb 1.03 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 3bdl n ILE 796 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3bdl n GLN 797 N -0.65 2.39 -3.42 6.28 7.27 -0.69 -1.95 117.38 126.62 3bdl n GLN 797 Ca 0.00 0.86 -0.20 0.00 0.07 0.00 0.00 57.00 57.73 3bdl n GLN 797 Cb 0.00 -2.63 0.07 0.00 2.41 0.00 0.00 30.24 30.09 3bdl n GLN 797 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3bdl n ASN 798 N 3.14 -5.14 -4.06 1.69 5.03 0.15 -4.97 115.26 111.09 3bdl n ASN 798 Ca 0.14 -0.48 -0.07 0.00 0.87 0.00 0.00 54.58 55.04 3bdl n ASN 798 Cb 0.32 -4.45 -0.10 0.00 -1.02 0.00 0.00 39.78 34.53 3bdl n ASN 798 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3bdl s THR 799 N -3.28 0.20 -0.11 3.41 -4.23 -0.82 -4.97 115.64 105.84 3bdl s THR 799 Ca 0.42 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 59.00 3bdl s THR 799 Cb -0.18 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 3bdl s THR 799 CO 0.63 -0.93 0.54 -1.58 -0.54 0.00 0.00 174.62 172.75 3bdl s GLN 800 N -3.92 4.35 0.40 3.99 0.74 -1.26 -1.55 119.66 122.41 3bdl s GLN 800 Ca 0.08 0.57 0.04 0.00 0.05 0.00 0.00 55.36 56.09 3bdl s GLN 800 Cb 0.08 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 3bdl s GLN 800 CO -0.10 0.11 0.15 0.00 -0.55 0.00 0.00 175.29 174.90 3bdl s LEU 802 N 0.00 2.96 -0.01 0.00 1.43 -0.40 -1.07 118.68 121.59 3bdl s LEU 802 Ca 0.21 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3bdl s LEU 802 Cb 0.01 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 3bdl s LEU 802 CO 0.15 0.24 -0.17 -0.22 0.23 0.00 0.00 176.35 176.57 3bdl s LEU 803 N -0.07 2.03 -0.09 1.79 0.20 0.41 -0.91 118.68 122.04 3bdl s LEU 803 Ca -0.01 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.50 3bdl s LEU 803 Cb -0.14 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.74 3bdl s LEU 803 CO 0.03 0.21 -0.09 0.21 -0.29 0.00 0.00 176.35 176.43 3bdl s ASN 804 N -0.39 1.89 -0.22 3.68 2.47 -0.60 -1.35 114.94 120.43 3bdl s ASN 804 Ca 0.06 -0.27 -0.29 0.00 0.42 0.00 0.00 52.86 52.78 3bdl s ASN 804 Cb -0.07 -0.78 -0.00 0.00 -1.45 0.00 0.00 41.25 38.95 3bdl s ASN 804 CO -0.01 -0.06 1.18 -0.69 -3.72 0.00 0.00 177.10 173.80 3bdl s VAL 805 N 1.28 4.41 -0.20 -5.21 1.01 -1.26 -1.57 120.40 118.86 3bdl s VAL 805 Ca -0.03 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.41 3bdl s VAL 805 Cb -0.14 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.88 3bdl s VAL 805 CO -0.03 -0.22 0.30 -0.33 0.00 0.00 0.00 175.10 174.82 3bdl h GLU 806 N 8.08 0.01 -2.09 2.72 4.39 -1.47 -3.45 114.58 122.76 3bdl h GLU 806 Ca -0.23 -0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.65 3bdl h GLU 806 Cb 1.08 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.63 3bdl h GLU 806 CO 0.99 1.01 0.58 -3.38 -1.16 0.00 0.00 179.01 177.04 3bdl s HIS 807 N -2.35 -0.16 0.58 4.33 -3.43 -1.09 -4.89 115.29 108.27 3bdl s HIS 807 Ca -0.27 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 3bdl s HIS 807 Cb 0.05 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.83 3bdl s HIS 807 CO 0.61 -0.61 0.82 -0.51 -2.00 0.00 0.00 174.74 173.05 3bdl s LEU 808 N -2.79 3.20 0.00 5.38 1.43 -1.26 -0.45 118.68 124.19 3bdl s LEU 808 Ca 0.11 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3bdl s LEU 808 Cb -0.00 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3bdl s LEU 808 CO -0.02 -1.25 0.24 -1.54 0.23 0.00 0.00 176.35 174.01 3bdl n SER 809 N -2.45 -0.64 0.28 2.29 3.41 -1.25 -4.78 113.62 110.49 3bdl n SER 809 Ca 0.09 -2.36 0.16 0.00 -0.26 0.00 0.00 58.87 56.50 3bdl n SER 809 Cb 0.60 1.34 0.79 0.00 -0.26 0.00 0.00 64.21 66.67 3bdl n SER 809 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdl h ALA 810 N 1.75 1.08 -3.00 7.33 0.00 -2.00 -3.42 119.26 121.00 3bdl h ALA 810 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3bdl h ALA 810 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3bdl h ALA 810 CO 0.23 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3bdl n GLY 811 N -0.38 1.03 3.93 0.00 0.00 -1.26 -5.12 105.19 103.40 3bdl n GLY 811 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3bdl n GLY 811 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdl s PRO 813 N -4.91 3.29 -0.15 0.00 0.02 -1.26 -3.76 135.00 128.22 3bdl s PRO 813 Ca 0.54 1.69 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 3bdl s PRO 813 Cb -0.10 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3bdl s PRO 813 CO 0.43 -0.92 0.11 -1.01 -0.33 0.00 0.00 177.00 175.28 3bdl s HIS 814 N -1.70 3.42 0.26 6.54 3.76 0.41 -1.77 115.29 126.22 3bdl s HIS 814 Ca 0.73 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.00 3bdl s HIS 814 Cb -0.26 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 3bdl s HIS 814 CO 0.29 0.45 0.13 0.14 -0.85 0.00 0.00 174.74 174.91 3bdl s VAL 815 N -0.30 0.32 -0.02 -0.90 -7.23 0.75 -1.14 120.40 111.87 3bdl s VAL 815 Ca 0.10 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 3bdl s VAL 815 Cb -0.12 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 3bdl s VAL 815 CO 0.01 0.00 -0.23 0.42 -0.31 0.00 0.00 175.10 174.99 3bdl s THR 816 N -3.79 2.32 0.06 5.32 -4.23 -0.61 -0.23 115.64 114.48 3bdl s THR 816 Ca 0.37 -1.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.89 3bdl s THR 816 Cb 0.06 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 3bdl s THR 816 CO 0.15 0.54 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.84 3bdl s LEU 817 N -0.76 2.66 0.02 4.79 1.43 -1.26 -1.56 118.68 124.01 3bdl s LEU 817 Ca 0.11 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3bdl s LEU 817 Cb -0.10 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3bdl s LEU 817 CO 0.00 0.24 -0.16 -1.10 0.23 0.00 0.00 176.35 175.56 3bdl s GLN 818 N -1.61 1.18 0.35 1.70 -0.21 -0.09 -0.63 119.66 120.36 3bdl s GLN 818 Ca 0.16 -0.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.54 3bdl s GLN 818 Cb -0.11 -1.19 -0.09 0.00 1.00 0.00 0.00 33.01 32.62 3bdl s GLN 818 CO 0.07 0.31 1.22 -0.06 -2.12 0.00 0.00 175.29 174.70 3bdl s PHE 819 N -0.64 3.13 0.27 0.91 0.08 -0.91 -1.27 117.98 119.55 3bdl s PHE 819 Ca 0.05 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 58.62 3bdl s PHE 819 Cb -0.07 -3.50 0.52 0.00 -0.57 0.00 0.00 43.02 39.39 3bdl s PHE 819 CO 0.01 -1.44 1.82 0.00 -0.10 0.00 0.00 175.22 175.51 3bdl h ALA 820 N 3.13 1.41 -3.00 5.36 0.00 -1.91 -0.43 119.26 123.82 3bdl h ALA 820 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3bdl h ALA 820 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3bdl h ALA 820 CO 0.64 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.79 3bdl n ASP 821 N -4.69 0.00 0.20 0.00 8.00 -1.26 -4.46 116.55 114.34 3bdl n ASP 821 Ca 0.17 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.83 3bdl n ASP 821 Cb 0.35 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.25 3bdl n ASP 821 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3bdl h SER 822 N 0.00 0.00 -1.87 -2.24 4.64 -1.99 -3.45 113.55 108.64 3bdl h SER 822 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3bdl h SER 822 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3bdl h SER 822 CO 0.00 0.00 -0.37 0.29 -0.87 0.00 0.00 176.83 175.88 3bdl n LYS 823 N -3.99 -1.21 -2.72 4.77 5.02 -0.17 -4.94 118.16 114.93 3bdl n LYS 823 Ca 0.01 0.83 -0.38 0.00 -2.02 0.00 0.00 58.31 56.75 3bdl n LYS 823 Cb 0.29 -5.15 -0.06 0.00 -0.02 0.00 0.00 35.03 30.09 3bdl n LYS 823 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bdl s GLY 824 N -2.43 2.94 -0.33 0.72 0.00 -1.26 -4.56 107.32 102.40 3bdl s GLY 824 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 3bdl s GLY 824 CO 0.00 1.12 1.74 -0.35 0.00 0.00 0.00 173.10 175.61 3bdl s ASP 825 N -1.37 5.97 0.12 1.64 -1.08 -1.26 -2.14 116.67 118.55 3bdl s ASP 825 Ca 0.47 1.26 -0.20 0.00 -0.52 0.00 0.00 52.55 53.56 3bdl s ASP 825 Cb -0.23 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 3bdl s ASP 825 CO 0.29 -1.65 1.73 0.58 0.52 0.00 0.00 175.17 176.64 3bdl h VAL 826 N 6.74 0.91 -0.61 1.11 2.07 -1.24 -1.73 116.25 123.50 3bdl h VAL 826 Ca -0.33 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3bdl h VAL 826 Cb 1.16 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3bdl h VAL 826 CO 1.04 0.02 0.29 1.23 0.02 0.00 0.00 177.57 180.16 3bdl h GLY 827 N 0.09 0.94 1.51 2.17 0.00 -1.91 -2.20 103.07 103.67 3bdl h GLY 827 Ca 0.08 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3bdl h GLY 827 CO -0.12 0.44 0.29 -2.00 0.00 0.00 0.00 176.54 175.16 3bdl h LEU 828 N 0.83 0.46 -1.06 3.11 5.85 -1.87 -1.02 115.31 121.61 3bdl h LEU 828 Ca 0.21 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3bdl h LEU 828 Cb 0.12 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3bdl h LEU 828 CO -0.03 0.32 0.07 1.23 -0.34 0.00 0.00 178.44 179.70 3bdl h GLY 829 N 0.54 0.80 1.86 3.75 0.00 -0.69 0.11 103.07 109.43 3bdl h GLY 829 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3bdl h GLY 829 CO -0.04 0.45 -0.22 1.41 0.00 0.00 0.00 176.54 178.13 3bdl h LEU 830 N 0.71 0.17 -0.18 3.11 3.38 -0.92 -1.60 115.31 119.98 3bdl h LEU 830 Ca 0.15 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3bdl h LEU 830 Cb 0.33 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3bdl h LEU 830 CO 0.01 0.40 -0.58 0.58 0.09 0.00 0.00 178.44 178.94 3bdl h VAL 831 N 0.16 1.31 -0.50 1.22 2.07 -0.98 -0.51 116.25 119.02 3bdl h VAL 831 Ca 0.03 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.76 3bdl h VAL 831 Cb 0.49 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3bdl h VAL 831 CO 0.03 0.57 0.30 0.11 0.02 0.00 0.00 177.57 178.61 3bdl h LYS 832 N 0.42 0.59 0.00 1.57 1.79 -0.53 -1.60 116.57 118.82 3bdl h LYS 832 Ca -0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3bdl h LYS 832 Cb 1.20 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3bdl h LYS 832 CO 0.12 0.39 0.00 0.39 -1.08 0.00 0.00 179.45 179.28 3bdl n GLU 833 N -4.79 0.77 -1.47 3.15 1.02 -0.65 -4.67 120.64 114.00 3bdl n GLU 833 Ca 0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 3bdl n GLU 833 Cb 0.07 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 3bdl n GLU 833 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bdl n GLY 834 N 0.62 1.05 0.15 0.62 0.00 -0.60 -4.90 105.19 102.14 3bdl n GLY 834 Ca 0.19 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.78 3bdl n GLY 834 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bdl h LEU 835 N 0.00 0.00 -7.86 0.99 3.38 -1.32 -3.47 115.31 107.03 3bdl h LEU 835 Ca -0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 3bdl h LEU 835 Cb 0.82 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 3bdl h LEU 835 CO 0.34 0.31 -0.45 0.68 0.09 0.00 0.00 178.44 179.41 3bdl s VAL 836 N -3.07 0.14 0.27 1.22 -7.23 -1.15 -4.76 120.40 105.82 3bdl s VAL 836 Ca 0.03 -1.13 0.06 0.00 -1.81 0.00 0.00 61.98 59.13 3bdl s VAL 836 Cb 0.07 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 3bdl s VAL 836 CO 0.74 -0.62 0.37 -0.04 -0.31 0.00 0.00 175.10 175.24 3bdl s MET 837 N -3.09 3.28 0.32 4.82 -1.94 -1.26 -4.40 119.30 117.03 3bdl s MET 837 Ca -0.01 -0.87 -0.24 0.00 -1.71 0.00 0.00 55.69 52.86 3bdl s MET 837 Cb 0.02 -2.83 -0.10 0.00 2.01 0.00 0.00 34.83 33.93 3bdl s MET 837 CO -0.07 0.32 0.91 0.08 -0.01 0.00 0.00 175.02 176.25 3bdl s VAL 838 N -2.06 4.30 -0.33 -6.03 1.01 -1.26 -0.50 120.40 115.54 3bdl s VAL 838 Ca 0.37 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.03 3bdl s VAL 838 Cb -0.09 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.45 3bdl s VAL 838 CO 0.29 0.08 0.04 -0.70 0.00 0.00 0.00 175.10 174.81 3bdl s GLU 839 N -2.22 1.96 0.25 2.72 2.12 -0.48 -4.57 118.70 118.48 3bdl s GLU 839 Ca 0.51 -1.62 -0.30 0.00 0.36 0.00 0.00 54.97 53.92 3bdl s GLU 839 Cb -0.17 -3.21 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 3bdl s GLU 839 CO 0.22 -0.82 1.24 0.08 -0.54 0.00 0.00 175.26 175.44 3bdl s VAL 840 N 1.07 3.22 -0.00 3.70 1.01 -1.26 -4.35 120.40 123.79 3bdl s VAL 840 Ca 0.03 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3bdl s VAL 840 Cb -0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3bdl s VAL 840 CO -0.05 0.21 -0.02 -0.13 0.00 0.00 0.00 175.10 175.12 3bdl s ARG 841 N -0.84 2.74 0.17 2.72 1.81 -1.26 -5.04 118.95 119.24 3bdl s ARG 841 Ca 0.51 -0.63 0.21 0.00 -1.72 0.00 0.00 55.73 54.11 3bdl s ARG 841 Cb -0.35 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.47 3bdl s ARG 841 CO 0.42 0.62 0.98 1.63 -0.68 0.00 0.00 175.30 178.27 3bdl n LYS 842 N 1.46 0.61 -1.74 3.54 5.02 -1.26 -4.90 118.16 120.88 3bdl n LYS 842 Ca -0.15 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3bdl n LYS 842 Cb 0.53 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3bdl n LYS 842 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bdl n GLU 843 N -2.70 2.54 -0.01 1.97 4.71 -1.26 -4.91 120.64 120.98 3bdl n GLU 843 Ca -0.02 0.90 0.12 0.00 -0.01 0.00 0.00 57.16 58.14 3bdl n GLU 843 Cb 0.61 -2.61 0.54 0.00 -1.01 0.00 0.00 31.44 28.97 3bdl n GLU 843 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 3bdl h LYS 844 N 3.57 0.29 0.00 3.49 2.10 -1.93 -2.04 116.57 122.05 3bdl h LYS 844 Ca -0.48 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3bdl h LYS 844 Cb 1.25 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3bdl h LYS 844 CO 0.70 0.19 -0.00 1.96 -2.00 0.00 0.00 179.45 180.30 3bdl h GLN 845 N 0.30 0.00 -0.72 0.07 7.50 -1.80 -2.06 115.11 118.40 3bdl h GLN 845 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3bdl h GLN 845 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.01 3bdl h GLN 845 CO -0.05 0.00 0.00 1.19 -1.50 0.00 0.00 178.83 178.47 3bdl n PHE 846 N -3.73 1.14 -0.07 2.96 3.72 -0.77 -4.28 117.46 116.43 3bdl n PHE 846 Ca -0.03 -0.53 -0.08 0.00 -0.05 0.00 0.00 57.45 56.76 3bdl n PHE 846 Cb 0.08 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 3bdl n PHE 846 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3bdl h GLN 847 N 4.31 -0.25 0.01 -1.08 4.15 -1.46 -0.66 115.11 120.12 3bdl h GLN 847 Ca 0.00 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3bdl h GLN 847 Cb 1.13 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3bdl h GLN 847 CO 0.07 -0.17 -0.00 0.87 -1.93 0.00 0.00 178.83 177.67 3bdl h LYS 848 N -0.26 -0.01 -0.35 1.69 1.57 -1.83 -3.10 116.57 114.28 3bdl h LYS 848 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3bdl h LYS 848 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3bdl h LYS 848 CO -0.44 0.35 0.10 -0.24 -0.57 0.00 0.00 179.45 178.65 3bdl h VAL 849 N -0.37 1.16 -0.49 0.50 3.04 -1.84 -1.48 116.25 116.77 3bdl h VAL 849 Ca -0.00 -0.53 -0.09 0.00 -1.01 0.00 0.00 66.70 65.07 3bdl h VAL 849 Cb 0.36 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 3bdl h VAL 849 CO 0.00 0.20 -0.04 0.40 -1.01 0.00 0.00 177.57 177.12 3bdl h ILE 850 N 0.50 1.25 -0.31 3.17 1.08 -1.15 -0.37 117.51 121.68 3bdl h ILE 850 Ca 0.12 -1.09 -0.13 0.00 -0.39 0.00 0.00 64.86 63.36 3bdl h ILE 850 Cb 0.17 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 3bdl h ILE 850 CO -0.01 0.38 -0.35 0.74 -0.69 0.00 0.00 178.15 178.23 3bdl h THR 851 N 0.78 1.28 -0.54 -0.27 2.02 -1.32 0.54 112.91 115.41 3bdl h THR 851 Ca 0.14 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 3bdl h THR 851 Cb 0.52 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3bdl h THR 851 CO 0.03 0.49 0.24 -0.08 0.37 0.00 0.00 175.52 176.57 3bdl h GLU 852 N 0.59 0.78 -0.25 6.66 4.81 -0.87 -0.72 114.58 125.59 3bdl h GLU 852 Ca 0.06 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3bdl h GLU 852 Cb 0.87 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3bdl h GLU 852 CO 0.08 0.66 -0.17 1.88 -0.73 0.00 0.00 179.01 180.73 3bdl h TYR 853 N 0.72 0.66 -0.28 0.92 0.05 -0.88 -2.52 116.97 115.64 3bdl h TYR 853 Ca 0.18 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3bdl h TYR 853 Cb 0.15 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3bdl h TYR 853 CO 0.00 0.85 0.05 -0.07 -1.05 0.00 0.00 178.16 177.93 3bdl h LEU 854 N 0.28 0.37 -0.36 3.88 3.38 -0.78 -0.90 115.31 121.18 3bdl h LEU 854 Ca 0.05 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3bdl h LEU 854 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3bdl h LEU 854 CO 0.05 0.40 -0.00 0.78 0.09 0.00 0.00 178.44 179.75 3bdl h ASN 855 N 0.40 0.63 -0.77 -0.43 2.35 -1.02 -1.62 115.58 115.13 3bdl h ASN 855 Ca 0.10 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3bdl h ASN 855 Cb 0.19 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3bdl h ASN 855 CO -0.00 0.79 0.48 0.00 -1.65 0.00 0.00 177.43 177.04 3bdl h ALA 856 N 0.86 0.98 -0.80 -0.83 0.00 -0.95 -1.55 119.26 116.97 3bdl h ALA 856 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3bdl h ALA 856 Cb 0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3bdl h ALA 856 CO 0.02 0.44 0.44 0.37 0.00 0.00 0.00 179.25 180.52 3bdl h GLN 857 N 1.06 1.12 -0.26 0.00 4.15 -0.98 -2.77 115.11 117.43 3bdl h GLN 857 Ca 0.28 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 3bdl h GLN 857 Cb -0.06 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 3bdl h GLN 857 CO -0.05 0.82 0.05 0.93 -1.93 0.00 0.00 178.83 178.65 3bdl h GLU 858 N 1.12 0.42 -0.34 1.69 5.08 -0.59 -2.64 114.58 119.32 3bdl h GLU 858 Ca 0.28 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3bdl h GLU 858 Cb 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3bdl h GLU 858 CO -0.05 0.53 0.00 0.43 -1.00 0.00 0.00 179.01 178.93 3bdl n SER 859 N -4.69 0.34 -0.39 1.42 7.64 -0.65 -5.11 113.62 112.18 3bdl n SER 859 Ca -0.03 -1.60 0.05 0.00 1.01 0.00 0.00 58.87 58.30 3bdl n SER 859 Cb 0.19 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.26 3bdl n SER 859 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03