#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f57 s TYR -4 N 0.00 2.89 0.10 1.96 5.04 -1.26 -4.96 117.35 121.12 2f57 s TYR -4 Ca 0.00 0.70 -0.31 0.00 -2.44 0.00 0.00 57.07 55.02 2f57 s TYR -4 Cb 0.00 -3.79 -0.07 0.00 0.35 0.00 0.00 41.96 38.45 2f57 s TYR -4 CO 0.00 -2.95 1.31 0.12 -1.34 0.00 0.00 175.55 172.68 2f57 s PHE -3 N 1.89 3.33 -0.06 4.97 5.36 -1.26 -5.03 117.98 127.18 2f57 s PHE -3 Ca 0.68 1.12 0.05 0.00 -0.96 0.00 0.00 56.93 57.81 2f57 s PHE -3 Cb -0.37 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 38.73 2f57 s PHE -3 CO 0.30 -1.89 -0.21 -0.65 -1.46 0.00 0.00 175.22 171.30 2f57 s GLN -2 N 0.96 2.29 0.22 10.12 -0.21 -1.26 -5.05 119.66 126.74 2f57 s GLN -2 Ca 0.61 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 2f57 s GLN -2 Cb -0.34 -1.92 0.22 0.00 1.00 0.00 0.00 33.01 31.97 2f57 s GLN -2 CO 0.31 0.29 1.61 0.66 -2.12 0.00 0.00 175.29 176.03 2f57 h SER -1 N 6.26 0.62 -6.12 5.90 4.64 -2.06 -3.48 113.55 119.30 2f57 h SER -1 Ca -0.30 -0.26 -0.26 0.00 -0.47 0.00 0.00 61.79 60.49 2f57 h SER -1 Cb 1.18 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2f57 h SER -1 CO 0.47 0.93 -0.83 0.23 -0.87 0.00 0.00 176.83 176.76 2f57 n MET 0 N -4.05 -1.84 -0.19 4.77 2.81 -1.26 -4.89 117.12 112.47 2f57 n MET 0 Ca -0.01 1.43 0.04 0.00 -1.81 0.00 0.00 57.70 57.35 2f57 n MET 0 Cb 0.50 -3.54 0.13 0.00 -0.71 0.00 0.00 33.22 29.60 2f57 n MET 0 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2f57 n SER 425 N -1.09 1.80 -4.77 7.83 2.88 -1.26 -4.89 113.62 114.13 2f57 n SER 425 Ca -0.09 -2.07 -0.39 0.00 -1.33 0.00 0.00 58.87 54.99 2f57 n SER 425 Cb 0.61 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 2f57 n SER 425 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2f57 s ARG 426 N -1.63 4.22 -0.06 -1.46 0.52 -1.26 -5.01 118.95 114.28 2f57 s ARG 426 Ca 0.20 1.94 -0.23 0.00 -0.52 0.00 0.00 55.73 57.12 2f57 s ARG 426 Cb 0.11 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2f57 s ARG 426 CO 0.12 -0.21 0.67 0.08 0.02 0.00 0.00 175.30 175.99 2f57 s VAL 427 N -1.30 5.02 0.68 3.52 1.01 -1.26 -5.06 120.40 123.02 2f57 s VAL 427 Ca 0.53 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 2f57 s VAL 427 Cb -0.33 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2f57 s VAL 427 CO 0.43 0.29 1.07 -0.94 0.00 0.00 0.00 175.10 175.95 2f57 s SER 428 N 0.61 5.28 0.19 3.32 1.04 -1.26 -4.88 113.70 118.00 2f57 s SER 428 Ca 0.36 1.74 -0.12 0.00 0.48 0.00 0.00 55.95 58.41 2f57 s SER 428 Cb -0.18 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.61 2f57 s SER 428 CO 0.18 -1.51 1.76 0.45 0.98 0.00 0.00 173.24 175.10 2f57 h HIS 429 N -0.45 0.38 -0.56 5.02 3.86 -1.97 -1.00 115.15 120.44 2f57 h HIS 429 Ca -0.45 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.75 2f57 h HIS 429 Cb 1.22 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2f57 h HIS 429 CO 0.60 0.14 0.22 1.49 0.86 0.00 0.00 177.93 181.24 2f57 h GLU 430 N 0.41 0.84 -0.72 2.45 4.81 -1.99 0.01 114.58 120.40 2f57 h GLU 430 Ca 0.25 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2f57 h GLU 430 Cb 0.24 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2f57 h GLU 430 CO -0.23 0.73 0.36 0.37 -0.73 0.00 0.00 179.01 179.52 2f57 h GLN 431 N 0.77 1.02 -0.25 1.92 4.15 -1.84 -1.25 115.11 119.63 2f57 h GLN 431 Ca 0.19 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 2f57 h GLN 431 Cb 0.20 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2f57 h GLN 431 CO -0.01 0.79 0.04 0.35 -1.93 0.00 0.00 178.83 178.07 2f57 h PHE 432 N 1.00 0.44 -0.29 3.99 3.57 -0.92 -2.21 116.94 122.52 2f57 h PHE 432 Ca 0.25 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2f57 h PHE 432 Cb 0.09 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2f57 h PHE 432 CO 0.00 0.53 0.13 -0.09 -2.23 0.00 0.00 178.31 176.65 2f57 h ARG 433 N 0.22 0.26 -0.74 1.11 2.43 -0.83 -0.66 114.38 116.17 2f57 h ARG 433 Ca 0.08 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2f57 h ARG 433 Cb 0.33 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2f57 h ARG 433 CO 0.00 0.17 0.44 0.00 -1.51 0.00 0.00 179.97 179.08 2f57 h ALA 434 N 1.16 1.01 -0.43 2.80 0.00 -1.18 -1.14 119.26 121.48 2f57 h ALA 434 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2f57 h ALA 434 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2f57 h ALA 434 CO -0.10 0.15 0.19 0.00 0.00 0.00 0.00 179.25 179.48 2f57 h ALA 435 N 1.37 0.56 -0.99 0.00 0.00 -0.90 -2.90 119.26 116.40 2f57 h ALA 435 Ca 0.33 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2f57 h ALA 435 Cb 0.17 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2f57 h ALA 435 CO -0.17 0.14 0.64 -0.07 0.00 0.00 0.00 179.25 179.79 2f57 h LEU 436 N 0.55 1.04 -2.07 0.00 3.38 -0.67 -2.25 115.31 115.28 2f57 h LEU 436 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2f57 h LEU 436 Cb 0.16 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2f57 h LEU 436 CO -0.01 0.68 0.00 1.56 0.09 0.00 0.00 178.44 180.75 2f57 h GLN 437 N 1.18 0.00 0.00 1.13 4.20 -1.02 -0.19 115.11 120.42 2f57 h GLN 437 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2f57 h GLN 437 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2f57 h GLN 437 CO -0.16 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.28 2f57 n LEU 438 N -3.02 0.10 -0.02 1.46 4.77 -0.85 -4.41 117.00 115.04 2f57 n LEU 438 Ca -0.01 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 2f57 n LEU 438 Cb 0.19 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2f57 n LEU 438 CO 0.23 -0.03 -0.60 0.52 -1.33 0.00 0.00 177.39 176.18 2f57 n VAL 439 N -1.59 0.17 -1.47 4.08 0.31 -0.23 -5.06 118.33 114.55 2f57 n VAL 439 Ca 0.07 -0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 2f57 n VAL 439 Cb 0.35 -0.81 0.08 0.00 -0.91 0.00 0.00 33.84 32.54 2f57 n VAL 439 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2f57 s VAL 440 N -2.06 2.88 0.58 2.52 -7.23 -0.36 -4.93 120.40 111.81 2f57 s VAL 440 Ca -0.04 0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 60.35 2f57 s VAL 440 Cb 0.01 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2f57 s VAL 440 CO 0.07 -0.29 1.05 -0.44 -0.31 0.00 0.00 175.10 175.18 2f57 s SER 441 N -2.60 5.86 0.42 4.85 0.01 0.14 -4.98 113.70 117.40 2f57 s SER 441 Ca 0.68 1.82 0.24 0.00 1.31 0.00 0.00 55.95 60.00 2f57 s SER 441 Cb -0.22 -2.53 0.47 0.00 0.21 0.00 0.00 66.02 63.94 2f57 s SER 441 CO 0.47 -1.11 1.65 1.55 0.41 0.00 0.00 173.24 176.21 2f57 h PRO 442 N 0.55 0.00 -7.18 12.44 0.13 -1.96 -3.42 132.00 132.55 2f57 h PRO 442 Ca -0.47 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 2f57 h PRO 442 Cb 1.22 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.55 2f57 h PRO 442 CO 0.58 0.00 0.02 0.20 -0.23 0.00 0.00 178.00 178.56 2f57 s GLY 443 N -4.13 1.52 -0.37 1.56 0.00 -1.26 -5.00 107.32 99.64 2f57 s GLY 443 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 2f57 s GLY 443 CO 0.65 0.38 0.18 -0.35 0.00 0.00 0.00 173.10 173.96 2f57 s ASP 444 N -2.93 5.63 0.26 1.64 -1.08 -1.26 -4.88 116.67 114.05 2f57 s ASP 444 Ca 0.68 -1.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.91 2f57 s ASP 444 Cb -0.20 -1.98 0.99 0.00 -1.46 0.00 0.00 42.92 40.27 2f57 s ASP 444 CO 0.61 -0.37 1.70 -0.81 0.52 0.00 0.00 175.17 176.82 2f57 n PRO 445 N 4.95 0.19 0.24 4.34 -0.04 -1.26 -1.56 135.00 141.86 2f57 n PRO 445 Ca -0.12 0.44 0.16 0.00 -0.04 0.00 0.00 63.50 63.95 2f57 n PRO 445 Cb 0.46 -1.87 0.70 0.00 -0.04 0.00 0.00 33.50 32.74 2f57 n PRO 445 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f57 h ARG 446 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.49 114.38 114.58 2f57 h ARG 446 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2f57 h ARG 446 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2f57 h ARG 446 CO 0.00 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.83 2f57 h GLU 447 N 0.00 0.00 0.00 0.04 5.08 -1.72 -3.32 114.58 114.66 2f57 h GLU 447 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f57 h GLU 447 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2f57 h GLU 447 CO 0.00 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 180.49 2f57 n TYR 448 N -3.08 0.00 -4.94 4.33 4.11 -0.80 -4.96 117.16 111.82 2f57 n TYR 448 Ca 0.01 -0.18 -0.26 0.00 -0.00 0.00 0.00 57.90 57.47 2f57 n TYR 448 Cb 0.35 -0.02 -0.16 0.00 -0.00 0.00 0.00 39.34 39.52 2f57 n TYR 448 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2f57 s LEU 449 N -0.37 2.02 0.20 -3.48 1.43 -0.63 -0.64 118.68 117.22 2f57 s LEU 449 Ca 0.00 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2f57 s LEU 449 Cb 0.00 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 2f57 s LEU 449 CO 0.00 0.23 0.26 0.00 0.23 0.00 0.00 176.35 177.07 2f57 s ALA 450 N -0.39 0.42 -1.16 4.21 0.00 -0.86 -4.70 121.76 119.27 2f57 s ALA 450 Ca 0.06 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 2f57 s ALA 450 Cb -0.08 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2f57 s ALA 450 CO -0.00 -0.67 0.85 0.09 0.00 0.00 0.00 175.76 176.03 2f57 n ASN 451 N -0.27 -4.15 -4.75 0.00 3.02 -1.26 -0.70 115.26 107.16 2f57 n ASN 451 Ca -0.02 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 2f57 n ASN 451 Cb 0.64 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 2f57 n ASN 451 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2f57 s PHE 452 N -3.48 3.14 -0.09 3.10 0.08 -1.26 -4.42 117.98 115.06 2f57 s PHE 452 Ca 0.27 1.19 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 2f57 s PHE 452 Cb -0.06 -3.69 0.03 0.00 -0.57 0.00 0.00 43.02 38.73 2f57 s PHE 452 CO 0.78 -2.14 -0.05 0.42 -0.10 0.00 0.00 175.22 174.13 2f57 s ILE 453 N -0.14 0.75 0.08 0.64 1.01 0.48 -4.94 121.20 119.08 2f57 s ILE 453 Ca 0.56 -0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.77 2f57 s ILE 453 Cb -0.39 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 2f57 s ILE 453 CO 0.42 0.32 1.21 -0.75 0.00 0.00 0.00 174.94 176.14 2f57 s LYS 454 N 1.70 4.43 -0.00 2.79 2.20 -1.26 -0.01 119.74 129.59 2f57 s LYS 454 Ca 0.03 1.80 0.04 0.00 -0.36 0.00 0.00 55.97 57.47 2f57 s LYS 454 Cb -0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2f57 s LYS 454 CO -0.06 -0.25 0.14 0.44 -0.36 0.00 0.00 175.35 175.27 2f57 n ILE 455 N 3.77 0.00 -3.52 5.43 -5.35 -0.01 -4.93 119.36 114.75 2f57 n ILE 455 Ca 0.09 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2f57 n ILE 455 Cb 0.46 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 2f57 n ILE 455 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f57 n GLY 456 N 1.27 -1.16 3.35 3.28 0.00 -1.16 -5.01 105.19 105.76 2f57 n GLY 456 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2f57 n GLY 456 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f57 s GLU 457 N -1.04 0.51 0.19 1.61 2.12 -1.26 -0.69 118.70 120.14 2f57 s GLU 457 Ca 0.00 0.70 0.03 0.00 0.36 0.00 0.00 54.97 56.06 2f57 s GLU 457 Cb 0.00 0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 2f57 s GLU 457 CO 0.00 -0.09 0.10 0.41 -0.54 0.00 0.00 175.26 175.14 2f57 n GLY 458 N 3.24 3.57 0.27 -1.50 0.00 -0.62 -4.99 105.19 105.17 2f57 n GLY 458 Ca -0.16 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.02 2f57 n GLY 458 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2f57 h SER 459 N 0.92 0.09 -0.41 1.61 4.64 -2.02 -1.49 113.55 116.89 2f57 h SER 459 Ca -0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2f57 h SER 459 Cb 0.62 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2f57 h SER 459 CO 0.22 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.60 2f57 n THR 460 N -4.53 0.85 0.00 2.95 -2.24 -1.26 -4.74 114.28 105.31 2f57 n THR 460 Ca -0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2f57 n THR 460 Cb 0.08 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2f57 n THR 460 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f57 n GLY 461 N 0.98 2.27 3.76 3.38 0.00 -0.56 -4.61 105.19 110.40 2f57 n GLY 461 Ca 0.15 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2f57 n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f57 s ILE 462 N -1.70 2.83 -0.22 -0.61 1.01 -0.66 -1.60 121.20 120.26 2f57 s ILE 462 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 60.65 61.41 2f57 s ILE 462 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2f57 s ILE 462 CO 0.00 0.17 -0.03 -0.69 0.00 0.00 0.00 174.94 174.39 2f57 s VAL 463 N -0.85 3.48 0.16 2.92 1.01 0.13 -0.43 120.40 126.83 2f57 s VAL 463 Ca 0.51 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.13 2f57 s VAL 463 Cb -0.39 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2f57 s VAL 463 CO 0.49 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.83 2f57 s ILE 465 N -1.46 4.75 0.16 0.00 -0.00 0.99 0.14 121.20 125.78 2f57 s ILE 465 Ca 0.21 -0.66 -0.10 0.00 -0.00 0.00 0.00 60.65 60.10 2f57 s ILE 465 Cb -0.09 -3.29 -0.01 0.00 -0.00 0.00 0.00 42.46 39.07 2f57 s ILE 465 CO 0.11 0.14 0.30 0.00 -0.00 0.00 0.00 174.94 175.49 2f57 s ALA 466 N -1.41 -0.08 -0.16 2.27 0.00 -0.34 -0.39 121.76 121.65 2f57 s ALA 466 Ca 0.30 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 2f57 s ALA 466 Cb -0.12 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2f57 s ALA 466 CO 0.23 -0.65 0.04 0.99 0.00 0.00 0.00 175.76 176.38 2f57 s THR 467 N -3.95 4.63 0.04 0.00 2.01 0.13 -0.53 115.64 117.96 2f57 s THR 467 Ca 0.16 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 2f57 s THR 467 Cb 0.03 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2f57 s THR 467 CO -0.01 0.49 0.73 -0.70 -0.69 0.00 0.00 174.62 174.44 2f57 s GLU 468 N 0.15 4.46 0.17 4.92 -6.30 0.65 -2.04 118.70 120.71 2f57 s GLU 468 Ca 0.04 0.99 -0.12 0.00 -2.50 0.00 0.00 54.97 53.38 2f57 s GLU 468 Cb -0.12 -3.36 0.08 0.00 0.00 0.00 0.00 34.13 30.73 2f57 s GLU 468 CO 0.01 0.31 1.74 -0.22 0.02 0.00 0.00 175.26 177.12 2f57 h LYS 469 N 5.62 0.87 0.04 4.30 3.64 -1.21 0.13 116.57 129.96 2f57 h LYS 469 Ca -0.44 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 58.55 2f57 h LYS 469 Cb 1.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2f57 h LYS 469 CO 0.70 0.73 -1.16 0.45 -2.27 0.00 0.00 179.45 177.90 2f57 h HIS 470 N 0.82 0.14 0.00 1.91 3.86 -1.93 -3.37 115.15 116.58 2f57 h HIS 470 Ca 0.20 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2f57 h HIS 470 Cb 0.16 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2f57 h HIS 470 CO 0.00 1.09 -1.56 0.25 0.86 0.00 0.00 177.93 178.58 2f57 n THR 471 N -3.37 0.11 -0.97 2.45 -2.24 -1.22 -5.00 114.28 104.05 2f57 n THR 471 Ca -0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2f57 n THR 471 Cb 0.98 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2f57 n THR 471 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f57 n GLY 472 N 1.92 0.54 3.79 3.38 0.00 0.44 -5.02 105.19 110.24 2f57 n GLY 472 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2f57 n GLY 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f57 s LYS 473 N -0.31 4.11 0.14 1.61 -0.14 -1.25 -4.64 119.74 119.25 2f57 s LYS 473 Ca 0.00 1.48 -0.27 0.00 -1.36 0.00 0.00 55.97 55.82 2f57 s LYS 473 Cb 0.00 -2.46 -0.07 0.00 -1.68 0.00 0.00 37.83 33.62 2f57 s LYS 473 CO 0.00 -0.18 0.86 -0.65 -0.76 0.00 0.00 175.35 174.61 2f57 s GLN 474 N -2.63 4.65 0.30 1.68 -0.21 -1.26 -0.25 119.66 121.94 2f57 s GLN 474 Ca 0.59 1.28 0.06 0.00 0.02 0.00 0.00 55.36 57.32 2f57 s GLN 474 Cb -0.21 -3.32 -0.06 0.00 1.00 0.00 0.00 33.01 30.42 2f57 s GLN 474 CO 0.26 0.40 -0.03 0.14 -2.12 0.00 0.00 175.29 173.94 2f57 s VAL 475 N -0.60 1.56 -0.00 1.09 -7.23 0.31 -4.40 120.40 111.14 2f57 s VAL 475 Ca 0.40 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2f57 s VAL 475 Cb -0.23 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2f57 s VAL 475 CO 0.28 -0.22 0.05 0.00 -0.31 0.00 0.00 175.10 174.90 2f57 s ALA 476 N -3.06 3.47 -0.14 1.32 0.00 0.52 -1.20 121.76 122.67 2f57 s ALA 476 Ca 0.31 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 2f57 s ALA 476 Cb 0.05 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.71 2f57 s ALA 476 CO 0.13 0.67 -0.10 0.08 0.00 0.00 0.00 175.76 176.54 2f57 s VAL 477 N -1.15 1.27 -0.03 0.00 1.01 0.12 0.10 120.40 121.71 2f57 s VAL 477 Ca 0.22 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2f57 s VAL 477 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2f57 s VAL 477 CO 0.12 0.37 0.73 -0.54 0.00 0.00 0.00 175.10 175.79 2f57 s LYS 478 N 1.60 4.45 -0.08 2.72 1.02 -0.25 -0.68 119.74 128.53 2f57 s LYS 478 Ca 0.04 0.96 0.03 0.00 0.02 0.00 0.00 55.97 57.03 2f57 s LYS 478 Cb -0.13 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 2f57 s LYS 478 CO -0.09 0.11 -0.18 0.15 -0.92 0.00 0.00 175.35 174.42 2f57 s LYS 479 N 0.59 2.31 -0.15 1.68 1.02 0.42 -0.77 119.74 124.84 2f57 s LYS 479 Ca 0.39 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.72 2f57 s LYS 479 Cb -0.19 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 2f57 s LYS 479 CO 0.20 0.13 -0.07 1.41 -0.92 0.00 0.00 175.35 176.10 2f57 s MET 480 N 0.42 1.54 0.09 1.68 1.75 -0.10 -1.65 119.30 123.03 2f57 s MET 480 Ca -0.15 -0.44 -0.31 0.00 -1.25 0.00 0.00 55.69 53.55 2f57 s MET 480 Cb -0.16 -1.88 -0.10 0.00 2.84 0.00 0.00 34.83 35.53 2f57 s MET 480 CO 0.06 -0.36 1.83 0.34 -0.65 0.00 0.00 175.02 176.24 2f57 s ASP 481 N 1.64 6.46 0.00 1.11 -1.08 -1.26 -1.19 116.67 122.35 2f57 s ASP 481 Ca 0.02 2.68 0.21 0.00 -0.52 0.00 0.00 52.55 54.94 2f57 s ASP 481 Cb -0.14 -2.56 1.03 0.00 -1.46 0.00 0.00 42.92 39.80 2f57 s ASP 481 CO -0.08 -1.00 1.65 0.18 0.52 0.00 0.00 175.17 176.44 2f57 n LEU 482 N 6.16 0.00 0.28 -1.34 4.77 -0.18 -1.35 117.00 125.34 2f57 n LEU 482 Ca 0.18 0.29 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 2f57 n LEU 482 Cb 0.39 -0.29 0.80 0.00 -2.33 0.00 0.00 43.42 41.99 2f57 n LEU 482 CO 0.66 -0.09 1.08 -0.09 -1.33 0.00 0.00 177.39 177.61 2f57 h ARG 483 N 0.00 0.00 -4.91 3.23 9.65 -1.90 -3.38 114.38 117.07 2f57 h ARG 483 Ca 0.00 0.00 -0.71 0.00 -1.10 0.00 0.00 59.98 58.17 2f57 h ARG 483 Cb 0.20 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 28.60 2f57 h ARG 483 CO 0.00 0.03 0.94 0.15 2.80 0.00 0.00 179.97 183.89 2f57 s LYS 484 N -4.68 3.73 0.15 0.20 1.02 -0.45 -4.88 119.74 114.81 2f57 s LYS 484 Ca -0.05 -2.00 -0.13 0.00 0.02 0.00 0.00 55.97 53.81 2f57 s LYS 484 Cb 0.15 -4.94 0.02 0.00 -0.52 0.00 0.00 37.83 32.54 2f57 s LYS 484 CO 0.59 -1.75 1.62 1.96 -0.92 0.00 0.00 175.35 176.85 2f57 h GLN 485 N 8.36 0.82 -0.31 1.68 4.20 -1.86 -0.31 115.11 127.69 2f57 h GLN 485 Ca 0.20 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2f57 h GLN 485 Cb 0.99 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2f57 h GLN 485 CO 1.13 0.84 0.14 1.96 -0.67 0.00 0.00 178.83 182.23 2f57 h GLN 486 N 0.69 0.46 0.01 1.46 4.20 -1.96 -3.09 115.11 116.87 2f57 h GLN 486 Ca 0.14 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 2f57 h GLN 486 Cb 0.43 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2f57 h GLN 486 CO 0.01 0.44 -0.92 0.00 -0.67 0.00 0.00 178.83 177.69 2f57 h ARG 487 N 0.37 0.06 -0.22 1.46 3.08 -1.83 -3.03 114.38 114.27 2f57 h ARG 487 Ca 0.11 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2f57 h ARG 487 Cb 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2f57 h ARG 487 CO -0.01 0.94 -0.05 0.07 -1.07 0.00 0.00 179.97 179.85 2f57 h ARG 488 N 0.03 0.34 -0.20 0.04 0.11 -1.07 -1.83 114.38 111.80 2f57 h ARG 488 Ca -0.03 -0.07 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 2f57 h ARG 488 Cb 1.60 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.62 2f57 h ARG 488 CO 0.13 0.41 -0.20 0.93 0.10 0.00 0.00 179.97 181.33 2f57 h GLU 489 N 0.33 0.35 -0.03 0.08 4.39 -1.45 -0.47 114.58 117.78 2f57 h GLU 489 Ca 0.07 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2f57 h GLU 489 Cb 0.30 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2f57 h GLU 489 CO 0.01 0.54 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.32 2f57 h LEU 490 N 0.32 0.05 -0.45 1.33 3.38 -1.34 -0.80 115.31 117.79 2f57 h LEU 490 Ca 0.05 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2f57 h LEU 490 Cb 0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2f57 h LEU 490 CO 0.04 0.41 0.18 0.25 0.09 0.00 0.00 178.44 179.41 2f57 h LEU 491 N -0.32 0.63 -1.17 1.67 5.85 -1.33 -1.96 115.31 118.68 2f57 h LEU 491 Ca 0.01 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2f57 h LEU 491 Cb 0.39 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2f57 h LEU 491 CO 0.00 0.63 0.39 0.15 -0.34 0.00 0.00 178.44 179.27 2f57 h PHE 492 N 0.59 0.93 -0.56 1.25 3.57 -1.09 -1.72 116.94 119.91 2f57 h PHE 492 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2f57 h PHE 492 Cb 0.20 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2f57 h PHE 492 CO 0.00 0.65 0.37 -0.97 -2.23 0.00 0.00 178.31 176.13 2f57 h ASN 493 N 0.97 0.65 -0.52 0.41 -1.24 -0.77 0.11 115.58 115.19 2f57 h ASN 493 Ca 0.25 -0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.28 2f57 h ASN 493 Cb 0.01 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 2f57 h ASN 493 CO -0.04 0.47 0.27 -0.08 -1.29 0.00 0.00 177.43 176.77 2f57 h GLU 494 N 0.76 0.52 0.34 6.67 4.81 -0.77 -1.67 114.58 125.25 2f57 h GLU 494 Ca 0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2f57 h GLU 494 Cb -0.08 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2f57 h GLU 494 CO -0.04 0.34 -0.16 0.28 -0.73 0.00 0.00 179.01 178.69 2f57 h VAL 495 N 0.53 0.68 -0.69 0.32 2.07 -0.77 -1.25 116.25 117.15 2f57 h VAL 495 Ca 0.22 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2f57 h VAL 495 Cb 0.11 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2f57 h VAL 495 CO -0.14 0.04 0.39 0.58 0.02 0.00 0.00 177.57 178.46 2f57 h VAL 496 N -0.57 1.21 0.24 2.57 2.07 -0.67 -1.99 116.25 119.11 2f57 h VAL 496 Ca -0.05 -0.49 -0.32 0.00 0.82 0.00 0.00 66.70 66.66 2f57 h VAL 496 Cb 0.42 0.29 0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2f57 h VAL 496 CO 0.08 0.22 -1.42 0.40 0.02 0.00 0.00 177.57 176.87 2f57 h ILE 497 N 0.94 1.29 -0.02 4.57 1.08 -1.32 -3.38 117.51 120.67 2f57 h ILE 497 Ca 0.24 -2.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 2f57 h ILE 497 Cb 0.01 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2f57 h ILE 497 CO -0.04 0.80 -0.37 0.23 -0.69 0.00 0.00 178.15 178.07 2f57 n MET 498 N -3.77 1.39 -0.14 2.37 2.81 -0.47 -4.51 117.12 114.81 2f57 n MET 498 Ca -0.17 -1.13 0.12 0.00 -1.81 0.00 0.00 57.70 54.71 2f57 n MET 498 Cb 1.07 -1.48 0.47 0.00 -0.71 0.00 0.00 33.22 32.57 2f57 n MET 498 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2f57 h ARG 499 N 2.77 0.47 -0.20 0.03 0.11 -1.52 -2.41 114.38 113.64 2f57 h ARG 499 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2f57 h ARG 499 Cb 0.78 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2f57 h ARG 499 CO 0.00 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.13 2f57 n ASP 500 N -4.48 3.30 -4.59 0.08 8.00 -1.26 -4.94 116.55 112.65 2f57 n ASP 500 Ca 0.12 -2.81 -0.34 0.00 0.71 0.00 0.00 54.79 52.47 2f57 n ASP 500 Cb 0.40 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 2f57 n ASP 500 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2f57 s TYR 501 N -2.44 3.05 -0.08 1.24 2.02 -0.91 -5.11 117.35 115.12 2f57 s TYR 501 Ca 0.34 -0.03 -0.07 0.00 -0.37 0.00 0.00 57.07 56.94 2f57 s TYR 501 Cb 0.27 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 2f57 s TYR 501 CO 0.08 0.25 0.21 -1.01 -1.57 0.00 0.00 175.55 173.51 2f57 s HIS 502 N -0.41 -0.24 -0.08 2.71 3.76 -1.26 -4.88 115.29 114.89 2f57 s HIS 502 Ca 0.07 0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 55.26 2f57 s HIS 502 Cb -0.12 0.07 0.08 0.00 1.11 0.00 0.00 32.58 33.72 2f57 s HIS 502 CO 0.02 -0.13 0.74 -1.58 -0.85 0.00 0.00 174.74 172.95 2f57 s HIS 503 N 0.26 -0.62 0.51 1.40 5.04 -1.26 -5.04 115.29 115.58 2f57 s HIS 503 Ca -0.01 1.10 0.22 0.00 -1.54 0.00 0.00 55.06 54.82 2f57 s HIS 503 Cb -0.03 0.41 1.30 0.00 0.04 0.00 0.00 32.58 34.30 2f57 s HIS 503 CO -0.01 -0.55 2.01 -0.44 -2.34 0.00 0.00 174.74 173.41 2f57 h ASP 504 N 3.07 0.08 -0.44 9.88 3.32 -1.99 -1.86 116.42 128.47 2f57 h ASP 504 Ca -0.26 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.65 2f57 h ASP 504 Cb 1.15 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.60 2f57 h ASP 504 CO 0.35 0.05 0.07 0.59 -1.72 0.00 0.00 179.24 178.58 2f57 n ASN 505 N -4.42 3.58 -4.08 6.45 4.13 -1.26 -4.86 115.26 114.80 2f57 n ASN 505 Ca 0.08 -3.37 -0.27 0.00 1.68 0.00 0.00 54.58 52.71 2f57 n ASN 505 Cb 0.50 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 37.94 2f57 n ASN 505 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2f57 s VAL 506 N -3.04 1.39 0.20 2.41 1.01 -0.70 0.12 120.40 121.79 2f57 s VAL 506 Ca 0.47 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.49 2f57 s VAL 506 Cb 0.39 -1.24 -0.14 0.00 0.00 0.00 0.00 36.38 35.40 2f57 s VAL 506 CO 0.07 0.41 1.50 0.52 0.00 0.00 0.00 175.10 177.60 2f57 n VAL 507 N 3.73 0.48 -2.40 2.92 0.31 -0.35 -4.50 118.33 118.52 2f57 n VAL 507 Ca -0.22 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 2f57 n VAL 507 Cb 0.52 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 2f57 n VAL 507 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2f57 s ASP 508 N 0.61 7.02 -0.19 4.52 1.01 -1.26 -4.92 116.67 123.45 2f57 s ASP 508 Ca 0.73 1.92 -0.05 0.00 0.71 0.00 0.00 52.55 55.86 2f57 s ASP 508 Cb -0.66 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 40.68 2f57 s ASP 508 CO 0.44 -0.59 -0.00 -0.32 0.21 0.00 0.00 175.17 174.91 2f57 s MET 509 N 2.01 3.68 -0.20 8.23 -2.45 -1.26 -0.71 119.30 128.59 2f57 s MET 509 Ca 0.58 -0.50 -0.16 0.00 -1.25 0.00 0.00 55.69 54.36 2f57 s MET 509 Cb -0.27 -3.05 -0.11 0.00 1.25 0.00 0.00 34.83 32.64 2f57 s MET 509 CO 0.24 0.10 -0.10 0.66 1.05 0.00 0.00 175.02 176.98 2f57 n TYR 510 N 3.97 0.62 -3.49 4.11 4.01 0.60 -5.00 117.16 121.99 2f57 n TYR 510 Ca -0.17 0.27 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 2f57 n TYR 510 Cb 0.52 -0.91 -0.02 0.00 -0.31 0.00 0.00 39.34 38.62 2f57 n TYR 510 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2f57 s SER 511 N -6.57 -0.42 0.08 7.72 0.15 -1.19 -5.02 113.70 108.45 2f57 s SER 511 Ca -0.28 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.46 2f57 s SER 511 Cb 0.07 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2f57 s SER 511 CO 0.45 -0.69 -0.13 -0.94 1.20 0.00 0.00 173.24 173.13 2f57 s SER 512 N -2.45 1.68 0.00 5.45 1.04 -1.26 -0.55 113.70 117.61 2f57 s SER 512 Ca 0.03 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 55.68 2f57 s SER 512 Cb -0.01 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2f57 s SER 512 CO -0.09 -0.12 0.20 -0.31 0.98 0.00 0.00 173.24 173.89 2f57 s TYR 513 N -1.63 -0.02 -0.37 5.02 2.02 0.02 -0.69 117.35 121.70 2f57 s TYR 513 Ca 0.01 -0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2f57 s TYR 513 Cb -0.08 -0.00 0.00 0.00 -0.40 0.00 0.00 41.96 41.48 2f57 s TYR 513 CO 0.02 -0.34 0.25 -1.17 -1.57 0.00 0.00 175.55 172.75 2f57 s LEU 514 N -1.45 4.72 -0.44 -1.29 2.96 -1.26 -0.87 118.68 121.04 2f57 s LEU 514 Ca -0.13 -0.65 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 2f57 s LEU 514 Cb -0.06 -2.13 0.12 0.00 0.50 0.00 0.00 46.19 44.62 2f57 s LEU 514 CO 0.02 -0.32 0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 2f57 s VAL 515 N 1.69 2.87 0.00 1.68 1.01 -0.04 -4.99 120.40 122.61 2f57 s VAL 515 Ca 0.05 -2.53 0.00 0.00 0.00 0.00 0.00 61.98 59.50 2f57 s VAL 515 Cb -0.18 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2f57 s VAL 515 CO 0.10 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2f57 n GLY 516 N 4.03 2.34 1.47 4.51 0.00 -1.26 -1.45 105.19 114.83 2f57 n GLY 516 Ca 0.03 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.38 2f57 n GLY 516 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f57 n ASP 517 N 10.81 4.96 -4.24 1.61 5.75 -1.26 -4.96 116.55 129.22 2f57 n ASP 517 Ca 0.00 -2.96 -0.24 0.00 -0.01 0.00 0.00 54.79 51.58 2f57 n ASP 517 Cb 0.00 -0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 39.33 2f57 n ASP 517 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2f57 s GLU 518 N -2.77 1.21 -0.21 0.11 2.02 -0.53 -1.01 118.70 117.53 2f57 s GLU 518 Ca 0.49 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 54.38 2f57 s GLU 518 Cb 0.38 -1.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 2f57 s GLU 518 CO 0.13 0.33 0.35 -1.17 0.02 0.00 0.00 175.26 174.92 2f57 s LEU 519 N -1.37 4.15 -0.09 1.80 2.96 -0.33 -0.86 118.68 124.93 2f57 s LEU 519 Ca 0.06 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 2f57 s LEU 519 Cb -0.09 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 2f57 s LEU 519 CO 0.02 -0.04 -0.09 0.26 -1.32 0.00 0.00 176.35 175.18 2f57 s TRP 520 N 1.23 2.89 -0.13 5.38 0.52 -0.05 -0.92 118.94 127.86 2f57 s TRP 520 Ca 0.17 -0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.11 2f57 s TRP 520 Cb -0.14 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2f57 s TRP 520 CO 0.07 0.15 -0.10 0.08 0.02 0.00 0.00 176.95 177.17 2f57 s VAL 521 N -0.39 1.23 -0.14 4.03 1.01 0.05 -0.80 120.40 125.38 2f57 s VAL 521 Ca 0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2f57 s VAL 521 Cb -0.12 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2f57 s VAL 521 CO 0.02 0.39 0.46 -0.69 0.00 0.00 0.00 175.10 175.28 2f57 s VAL 522 N 1.62 5.19 0.17 2.92 1.01 0.29 -1.09 120.40 130.51 2f57 s VAL 522 Ca 0.05 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 2f57 s VAL 522 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2f57 s VAL 522 CO -0.09 0.30 0.11 -0.04 0.00 0.00 0.00 175.10 175.38 2f57 s MET 523 N 0.82 1.09 0.36 2.72 -1.94 0.11 -0.29 119.30 122.17 2f57 s MET 523 Ca 0.24 -1.52 -0.28 0.00 -1.71 0.00 0.00 55.69 52.42 2f57 s MET 523 Cb -0.15 0.27 -0.12 0.00 2.01 0.00 0.00 34.83 36.84 2f57 s MET 523 CO 0.09 -0.34 1.42 -1.91 -0.01 0.00 0.00 175.02 174.27 2f57 n GLU 524 N -0.19 2.49 -3.40 2.03 2.13 0.11 -0.35 120.64 123.46 2f57 n GLU 524 Ca -0.02 0.87 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 2f57 n GLU 524 Cb 0.65 -2.55 -0.09 0.00 0.27 0.00 0.00 31.44 29.71 2f57 n GLU 524 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2f57 s PHE 525 N -1.08 3.23 -0.40 4.31 5.36 -1.26 -4.30 117.98 123.83 2f57 s PHE 525 Ca 0.54 0.25 -0.14 0.00 -0.96 0.00 0.00 56.93 56.62 2f57 s PHE 525 Cb -0.51 -2.61 0.03 0.00 -0.34 0.00 0.00 43.02 39.59 2f57 s PHE 525 CO 0.63 -0.30 0.28 -0.51 -1.46 0.00 0.00 175.22 173.85 2f57 s LEU 526 N 2.06 5.03 0.26 6.12 1.02 -1.26 -4.96 118.68 126.94 2f57 s LEU 526 Ca 0.14 -0.98 0.25 0.00 0.02 0.00 0.00 54.13 53.55 2f57 s LEU 526 Cb -0.16 -2.11 0.58 0.00 0.02 0.00 0.00 46.19 44.52 2f57 s LEU 526 CO 0.11 -0.45 1.63 -0.33 0.02 0.00 0.00 176.35 177.33 2f57 h GLU 527 N 8.57 0.00 -0.00 1.70 5.08 -1.87 -3.25 114.58 124.81 2f57 h GLU 527 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2f57 h GLU 527 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2f57 h GLU 527 CO 0.72 0.00 -0.02 0.41 -1.00 0.00 0.00 179.01 179.12 2f57 n GLY 528 N 1.25 -0.93 7.00 -3.84 0.00 0.18 -4.85 105.19 104.01 2f57 n GLY 528 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2f57 n GLY 528 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f57 n GLY 529 N 1.12 -1.33 3.93 -0.02 0.00 -1.23 -4.63 105.19 103.04 2f57 n GLY 529 Ca 0.20 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 2f57 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f57 s ALA 530 N -1.12 3.93 0.46 4.61 0.00 -1.26 -0.87 121.76 127.50 2f57 s ALA 530 Ca 0.00 -0.93 0.18 0.00 0.00 0.00 0.00 51.96 51.21 2f57 s ALA 530 Cb 0.00 -1.86 1.15 0.00 0.00 0.00 0.00 23.12 22.41 2f57 s ALA 530 CO 0.00 0.56 2.03 1.25 0.00 0.00 0.00 175.76 179.60 2f57 h LEU 531 N 2.26 0.00 -0.99 0.00 5.85 -0.84 -2.39 115.31 119.21 2f57 h LEU 531 Ca -0.48 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.39 2f57 h LEU 531 Cb 1.19 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 2f57 h LEU 531 CO 0.70 0.15 0.61 0.74 -0.34 0.00 0.00 178.44 180.29 2f57 h THR 532 N 0.00 0.83 0.00 1.05 2.02 -1.81 -0.41 112.91 114.59 2f57 h THR 532 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2f57 h THR 532 Cb 0.28 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2f57 h THR 532 CO 0.02 0.16 -0.15 -0.78 0.37 0.00 0.00 175.52 175.14 2f57 h ASP 533 N 0.88 0.00 0.00 4.18 3.58 -1.79 -1.99 116.42 121.29 2f57 h ASP 533 Ca 0.52 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.97 2f57 h ASP 533 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2f57 h ASP 533 CO -0.31 0.15 -0.00 0.40 -2.88 0.00 0.00 179.24 176.59 2f57 h ILE 534 N 0.00 1.76 0.00 2.25 2.04 -1.26 -3.29 117.51 119.01 2f57 h ILE 534 Ca -0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 63.54 2f57 h ILE 534 Cb 0.30 3.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 2f57 h ILE 534 CO 0.02 0.59 -0.26 -0.37 0.00 0.00 0.00 178.15 178.13 2f57 h VAL 535 N -0.97 0.98 -0.05 1.67 -1.51 -0.91 -0.01 116.25 115.45 2f57 h VAL 535 Ca -0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2f57 h VAL 535 Cb 0.96 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2f57 h VAL 535 CO 0.00 0.25 0.00 0.35 -1.23 0.00 0.00 177.57 176.94 2f57 n THR 536 N -3.94 0.05 -0.10 7.19 -2.24 -0.77 -4.04 114.28 110.43 2f57 n THR 536 Ca -0.02 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2f57 n THR 536 Cb 0.33 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2f57 n THR 536 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2f57 n HIS 537 N 0.04 0.00 -3.69 4.78 -0.00 -0.12 -5.08 115.22 111.15 2f57 n HIS 537 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.81 2f57 n HIS 537 Cb 0.31 -0.78 -0.03 0.00 -0.00 0.00 0.00 29.99 29.50 2f57 n HIS 537 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2f57 s THR 538 N -2.40 0.01 -0.34 3.57 -1.32 -0.58 -5.11 115.64 109.47 2f57 s THR 538 Ca -0.24 -0.65 -0.18 0.00 -1.21 0.00 0.00 61.69 59.41 2f57 s THR 538 Cb 0.07 -1.54 -0.01 0.00 -1.51 0.00 0.00 72.50 69.51 2f57 s THR 538 CO 0.50 -0.06 0.52 -0.60 -2.21 0.00 0.00 174.62 172.76 2f57 s ARG 539 N -3.86 3.66 0.65 7.08 3.52 -1.26 -4.42 118.95 124.32 2f57 s ARG 539 Ca 0.08 -0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.39 2f57 s ARG 539 Cb -0.02 -3.79 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 2f57 s ARG 539 CO -0.03 -0.62 1.28 -1.64 -0.81 0.00 0.00 175.30 173.48 2f57 s MET 540 N 2.40 2.54 0.82 5.12 -1.94 -1.26 -5.03 119.30 121.95 2f57 s MET 540 Ca 0.19 2.02 -0.12 0.00 -1.71 0.00 0.00 55.69 56.07 2f57 s MET 540 Cb -0.15 -1.85 0.10 0.00 2.01 0.00 0.00 34.83 34.93 2f57 s MET 540 CO 0.13 -1.60 1.19 0.54 -0.01 0.00 0.00 175.02 175.27 2f57 s ASN 541 N -1.47 4.32 0.32 3.03 2.20 -1.26 -4.82 114.94 117.26 2f57 s ASN 541 Ca 0.81 0.68 0.15 0.00 -0.94 0.00 0.00 52.86 53.56 2f57 s ASN 541 Cb -0.36 -1.11 0.48 0.00 -2.00 0.00 0.00 41.25 38.26 2f57 s ASN 541 CO 0.40 -2.01 1.65 -0.33 -2.94 0.00 0.00 177.10 173.87 2f57 h GLU 542 N -1.11 0.00 -0.32 3.55 5.08 -1.97 -0.52 114.58 119.29 2f57 h GLU 542 Ca -0.46 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2f57 h GLU 542 Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2f57 h GLU 542 CO 0.61 0.51 0.08 1.49 -1.00 0.00 0.00 179.01 180.70 2f57 h GLU 543 N 0.00 0.20 -0.42 2.33 4.81 -1.94 0.15 114.58 119.71 2f57 h GLU 543 Ca -0.01 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2f57 h GLU 543 Cb 1.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2f57 h GLU 543 CO 0.07 0.13 -0.03 1.96 -0.73 0.00 0.00 179.01 180.41 2f57 h GLN 544 N 0.20 0.76 -0.32 1.92 4.20 -1.75 -1.12 115.11 119.00 2f57 h GLN 544 Ca 0.15 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2f57 h GLN 544 Cb 0.14 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2f57 h GLN 544 CO -0.18 0.85 0.19 0.82 -0.67 0.00 0.00 178.83 179.84 2f57 h ILE 545 N 0.59 1.04 -0.71 2.54 2.04 -0.99 -1.50 117.51 120.52 2f57 h ILE 545 Ca 0.12 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2f57 h ILE 545 Cb 0.53 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2f57 h ILE 545 CO 0.03 0.07 0.47 0.00 0.00 0.00 0.00 178.15 178.72 2f57 h ALA 546 N 1.14 1.50 -0.37 1.87 0.00 -0.53 -0.37 119.26 122.49 2f57 h ALA 546 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2f57 h ALA 546 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2f57 h ALA 546 CO -0.05 0.47 0.01 1.15 0.00 0.00 0.00 179.25 180.83 2f57 h THR 547 N 0.96 1.26 -0.13 0.00 2.02 -0.81 0.78 112.91 116.98 2f57 h THR 547 Ca 0.26 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2f57 h THR 547 Cb -0.11 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2f57 h THR 547 CO -0.06 0.32 0.07 0.58 0.37 0.00 0.00 175.52 176.80 2f57 h VAL 548 N 0.46 1.11 -0.84 3.16 2.07 -0.99 -2.16 116.25 119.06 2f57 h VAL 548 Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2f57 h VAL 548 Cb 0.45 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2f57 h VAL 548 CO 0.02 0.10 0.53 0.00 0.02 0.00 0.00 177.57 178.24 2f57 h LEU 550 N 1.15 0.74 -0.03 0.00 5.85 -0.78 0.40 115.31 122.63 2f57 h LEU 550 Ca 0.31 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2f57 h LEU 550 Cb -0.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2f57 h LEU 550 CO -0.06 0.70 0.02 0.28 -0.34 0.00 0.00 178.44 179.04 2f57 h SER 551 N 0.72 0.04 -0.58 1.25 0.02 -1.05 -1.03 113.55 112.92 2f57 h SER 551 Ca 0.18 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2f57 h SER 551 Cb 0.20 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2f57 h SER 551 CO -0.01 0.13 0.06 0.58 -1.14 0.00 0.00 176.83 176.45 2f57 h VAL 552 N -0.05 1.26 -0.16 2.27 2.07 -1.01 -2.60 116.25 118.03 2f57 h VAL 552 Ca 0.01 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 2f57 h VAL 552 Cb 0.10 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2f57 h VAL 552 CO -0.00 0.38 -0.19 -0.07 0.02 0.00 0.00 177.57 177.70 2f57 h LEU 553 N 0.87 0.26 -0.38 2.57 3.38 -0.80 0.18 115.31 121.40 2f57 h LEU 553 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2f57 h LEU 553 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2f57 h LEU 553 CO 0.02 0.48 0.14 0.03 0.09 0.00 0.00 178.44 179.19 2f57 h ARG 554 N 0.25 0.58 -0.15 1.13 3.08 -1.01 0.34 114.38 118.60 2f57 h ARG 554 Ca 0.05 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2f57 h ARG 554 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2f57 h ARG 554 CO 0.03 0.57 0.10 0.00 -1.07 0.00 0.00 179.97 179.60 2f57 h ALA 555 N 0.98 0.20 -0.47 0.04 0.00 -1.04 -2.58 119.26 116.37 2f57 h ALA 555 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2f57 h ALA 555 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f57 h ALA 555 CO -0.01 -0.30 -0.07 -0.07 0.00 0.00 0.00 179.25 178.80 2f57 h LEU 556 N 0.19 0.82 -0.43 0.00 3.38 -0.51 -0.66 115.31 118.09 2f57 h LEU 556 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2f57 h LEU 556 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2f57 h LEU 556 CO -0.01 0.92 0.27 -1.28 0.09 0.00 0.00 178.44 178.43 2f57 h SER 557 N 0.76 0.45 0.18 -0.43 0.87 -0.85 0.27 113.55 114.80 2f57 h SER 557 Ca 0.13 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2f57 h SER 557 Cb 0.56 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2f57 h SER 557 CO 0.03 0.32 -0.09 0.22 -0.53 0.00 0.00 176.83 176.79 2f57 h TYR 558 N 0.54 -0.22 -0.41 2.24 3.20 -1.21 -2.13 116.97 118.98 2f57 h TYR 558 Ca 0.17 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2f57 h TYR 558 Cb -0.02 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2f57 h TYR 558 CO -0.06 -0.06 0.14 -0.07 -1.64 0.00 0.00 178.16 176.47 2f57 h LEU 559 N -0.33 0.59 -1.11 2.82 3.38 -0.91 -2.48 115.31 117.27 2f57 h LEU 559 Ca -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2f57 h LEU 559 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2f57 h LEU 559 CO 0.04 0.63 0.29 0.45 0.09 0.00 0.00 178.44 179.94 2f57 h HIS 560 N 0.52 0.91 0.00 1.13 3.86 -0.50 0.03 115.15 121.10 2f57 h HIS 560 Ca 0.13 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2f57 h HIS 560 Cb 0.25 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 2f57 h HIS 560 CO 0.01 0.68 -0.14 -0.91 0.86 0.00 0.00 177.93 178.42 2f57 h ASN 561 N 0.91 0.00 0.15 2.45 2.35 -1.04 -1.65 115.58 118.76 2f57 h ASN 561 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2f57 h ASN 561 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2f57 h ASN 561 CO -0.03 0.14 -0.13 0.00 -1.65 0.00 0.00 177.43 175.77 2f57 n GLN 562 N -3.88 1.14 -0.84 0.81 1.13 -0.51 -4.95 117.38 110.28 2f57 n GLN 562 Ca -0.02 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 2f57 n GLN 562 Cb 0.24 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2f57 n GLN 562 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f57 n GLY 563 N 1.26 0.49 3.72 1.08 0.00 -0.62 -4.87 105.19 106.25 2f57 n GLY 563 Ca 0.15 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2f57 n GLY 563 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f57 s VAL 564 N -2.00 5.27 -0.20 1.61 1.01 -0.12 -0.56 120.40 125.41 2f57 s VAL 564 Ca 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 2f57 s VAL 564 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2f57 s VAL 564 CO 0.00 0.36 0.00 -0.63 0.00 0.00 0.00 175.10 174.83 2f57 s ILE 565 N 0.55 3.99 -0.04 2.22 1.01 -0.05 -3.62 121.20 125.26 2f57 s ILE 565 Ca 0.20 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 2f57 s ILE 565 Cb -0.14 -2.80 -0.21 0.00 0.01 0.00 0.00 42.46 39.32 2f57 s ILE 565 CO 0.06 0.43 1.20 -0.74 0.00 0.00 0.00 174.94 175.90 2f57 h HIS 566 N 7.42 -0.00 0.00 3.97 -0.00 -1.91 0.06 115.15 124.68 2f57 h HIS 566 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2f57 h HIS 566 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2f57 h HIS 566 CO 0.59 0.55 0.00 0.54 -0.00 0.00 0.00 177.93 179.60 2f57 n ARG 567 N -4.83 -0.10 -2.73 5.26 1.74 -1.26 -2.99 116.66 111.74 2f57 n ARG 567 Ca -0.09 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 2f57 n ARG 567 Cb 0.28 -3.36 0.05 0.00 -1.02 0.00 0.00 32.46 28.41 2f57 n ARG 567 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2f57 n ASP 568 N -0.05 0.97 -4.68 0.55 2.03 -1.26 -4.14 116.55 109.97 2f57 n ASP 568 Ca 0.00 -2.39 -0.42 0.00 0.52 0.00 0.00 54.79 52.50 2f57 n ASP 568 Cb 0.03 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 2f57 n ASP 568 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2f57 s ILE 569 N -2.83 3.78 -0.06 5.18 -1.09 -1.26 -4.68 121.20 120.24 2f57 s ILE 569 Ca 0.25 1.13 -0.32 0.00 -2.23 0.00 0.00 60.65 59.49 2f57 s ILE 569 Cb 0.40 -3.73 0.12 0.00 -1.58 0.00 0.00 42.46 37.67 2f57 s ILE 569 CO -0.01 -0.02 1.21 -1.59 -1.23 0.00 0.00 174.94 173.30 2f57 s LYS 570 N 2.61 0.46 0.46 2.79 -2.85 -1.26 -4.68 119.74 117.27 2f57 s LYS 570 Ca 0.63 -0.22 0.17 0.00 -1.00 0.00 0.00 55.97 55.55 2f57 s LYS 570 Cb -0.30 0.17 1.14 0.00 -2.06 0.00 0.00 37.83 36.78 2f57 s LYS 570 CO 0.25 -0.21 1.99 0.66 0.10 0.00 0.00 175.35 178.15 2f57 h SER 571 N 2.00 0.25 0.36 0.03 4.64 -1.92 -1.30 113.55 117.61 2f57 h SER 571 Ca -0.22 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2f57 h SER 571 Cb 1.19 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2f57 h SER 571 CO 0.26 0.15 -0.15 0.44 -0.87 0.00 0.00 176.83 176.66 2f57 h ASP 572 N 0.28 0.00 -0.09 4.97 3.32 -1.93 -2.15 116.42 120.82 2f57 h ASP 572 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2f57 h ASP 572 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2f57 h ASP 572 CO -0.06 0.15 0.00 -1.20 -1.72 0.00 0.00 179.24 176.42 2f57 n SER 573 N -3.78 1.16 -4.35 6.45 7.64 -0.49 -4.81 113.62 115.44 2f57 n SER 573 Ca -0.02 -1.54 -0.35 0.00 1.01 0.00 0.00 58.87 57.97 2f57 n SER 573 Cb 0.26 -0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 2f57 n SER 573 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2f57 s ILE 574 N -1.90 3.51 0.15 0.44 -1.09 -0.81 -0.08 121.20 121.43 2f57 s ILE 574 Ca 0.34 -0.46 0.08 0.00 -2.23 0.00 0.00 60.65 58.38 2f57 s ILE 574 Cb 0.18 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 2f57 s ILE 574 CO 0.28 0.43 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.58 2f57 s LEU 575 N 1.24 3.06 0.01 2.97 1.43 -0.16 -0.58 118.68 126.65 2f57 s LEU 575 Ca 0.03 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2f57 s LEU 575 Cb -0.14 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2f57 s LEU 575 CO -0.01 0.12 -0.24 -0.76 0.23 0.00 0.00 176.35 175.70 2f57 s LEU 576 N -2.65 2.23 0.59 1.79 1.02 -0.05 -0.72 118.68 120.89 2f57 s LEU 576 Ca 0.24 -0.48 -0.05 0.00 0.02 0.00 0.00 54.13 53.86 2f57 s LEU 576 Cb -0.10 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.76 2f57 s LEU 576 CO 0.15 0.29 0.89 0.42 0.02 0.00 0.00 176.35 178.13 2f57 s THR 577 N -0.73 3.48 0.49 5.49 -4.23 -0.26 -0.65 115.64 119.24 2f57 s THR 577 Ca 0.11 -0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.67 2f57 s THR 577 Cb -0.10 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.61 2f57 s THR 577 CO 0.01 -0.38 2.11 0.77 -0.54 0.00 0.00 174.62 176.59 2f57 h SER 578 N -0.17 0.08 0.16 3.99 4.64 -1.90 -1.51 113.55 118.84 2f57 h SER 578 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2f57 h SER 578 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2f57 h SER 578 CO 0.60 0.08 -0.11 -0.90 -0.87 0.00 0.00 176.83 175.63 2f57 n ASP 579 N -4.50 0.96 0.00 4.97 5.75 -1.26 -4.93 116.55 117.54 2f57 n ASP 579 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 2f57 n ASP 579 Cb 0.11 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2f57 n ASP 579 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f57 n GLY 580 N 1.24 1.13 3.86 6.12 0.00 -0.57 -4.10 105.19 112.86 2f57 n GLY 580 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2f57 n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f57 s ARG 581 N -0.50 3.86 -0.13 1.61 0.52 -1.26 -4.63 118.95 118.41 2f57 s ARG 581 Ca 0.00 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.02 2f57 s ARG 581 Cb 0.00 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.27 2f57 s ARG 581 CO 0.00 -0.24 -0.22 0.42 0.02 0.00 0.00 175.30 175.28 2f57 s ILE 582 N -2.62 2.11 0.01 1.52 -1.09 -1.26 -1.10 121.20 118.78 2f57 s ILE 582 Ca 0.56 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 2f57 s ILE 582 Cb -0.10 -1.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.93 2f57 s ILE 582 CO 0.34 0.55 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.98 2f57 s LYS 583 N 0.66 0.61 0.08 2.79 1.02 0.10 -4.60 119.74 120.40 2f57 s LYS 583 Ca -0.11 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2f57 s LYS 583 Cb -0.16 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 2f57 s LYS 583 CO 0.02 0.14 1.02 -1.17 -0.92 0.00 0.00 175.35 174.44 2f57 s LEU 584 N -0.64 4.44 0.00 3.17 2.96 0.12 -0.99 118.68 127.74 2f57 s LEU 584 Ca -0.00 1.83 0.02 0.00 -0.22 0.00 0.00 54.13 55.75 2f57 s LEU 584 Cb -0.05 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2f57 s LEU 584 CO 0.00 -0.20 0.06 -1.54 -1.32 0.00 0.00 176.35 173.35 2f57 n SER 585 N 3.20 1.21 -3.12 3.68 3.41 0.89 -1.21 113.62 121.68 2f57 n SER 585 Ca 0.04 -2.00 -0.03 0.00 -0.26 0.00 0.00 58.87 56.62 2f57 n SER 585 Cb 0.49 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 2f57 n SER 585 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2f57 n ASP 586 N -1.76 -7.55 -1.50 4.04 8.00 -1.26 -4.82 116.55 111.70 2f57 n ASP 586 Ca -0.03 -0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.36 2f57 n ASP 586 Cb 0.28 -5.08 0.30 0.00 -0.02 0.00 0.00 41.12 36.61 2f57 n ASP 586 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2f57 n PHE 587 N -1.92 1.49 -0.08 1.24 3.72 -1.26 -4.52 117.46 116.13 2f57 n PHE 587 Ca -0.02 -0.53 0.15 0.00 -0.05 0.00 0.00 57.45 56.99 2f57 n PHE 587 Cb 0.52 -0.38 0.54 0.00 -0.94 0.00 0.00 39.48 39.23 2f57 n PHE 587 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2f57 h GLY 588 N 4.32 0.48 -1.72 1.37 0.00 -1.91 -1.66 103.07 103.96 2f57 h GLY 588 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2f57 h GLY 588 CO 0.34 0.07 0.00 0.69 0.00 0.00 0.00 176.54 177.63 2f57 n PHE 589 N -4.45 0.33 -1.48 5.60 3.72 -1.26 -4.63 117.46 115.29 2f57 n PHE 589 Ca 0.11 -0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 57.02 2f57 n PHE 589 Cb 0.46 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.07 2f57 n PHE 589 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2f57 s ALA 591 N -2.69 1.40 -0.27 0.00 0.00 0.01 -4.98 121.76 115.22 2f57 s ALA 591 Ca 0.63 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 2f57 s ALA 591 Cb -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2f57 s ALA 591 CO 0.50 0.25 0.05 -1.14 0.00 0.00 0.00 175.76 175.42 2f57 s GLN 592 N -1.61 3.23 0.44 0.00 2.00 -1.26 -0.87 119.66 121.59 2f57 s GLN 592 Ca 0.02 -0.75 0.01 0.00 -2.00 0.00 0.00 55.36 52.64 2f57 s GLN 592 Cb -0.09 -3.29 -0.00 0.00 0.80 0.00 0.00 33.01 30.43 2f57 s GLN 592 CO 0.03 -0.35 0.65 0.14 -0.50 0.00 0.00 175.29 175.25 2f57 s VAL 593 N 1.51 3.94 0.16 1.34 -7.23 0.28 -5.02 120.40 115.39 2f57 s VAL 593 Ca 0.04 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2f57 s VAL 593 Cb -0.16 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2f57 s VAL 593 CO 0.01 -0.29 0.14 -0.94 -0.31 0.00 0.00 175.10 173.71 2f57 s SER 594 N -4.22 0.19 0.46 4.85 1.04 -0.65 -4.76 113.70 110.60 2f57 s SER 594 Ca 0.48 -1.19 0.11 0.00 0.48 0.00 0.00 55.95 55.84 2f57 s SER 594 Cb -0.10 0.36 1.03 0.00 0.10 0.00 0.00 66.02 67.42 2f57 s SER 594 CO 0.37 -0.81 2.08 0.11 0.98 0.00 0.00 173.24 175.97 2f57 h LYS 595 N 2.70 0.26 0.06 4.02 6.56 -2.00 -0.50 116.57 127.68 2f57 h LYS 595 Ca -0.34 -0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 58.99 2f57 h LYS 595 Cb 1.22 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 2f57 h LYS 595 CO 0.54 0.20 -1.08 0.93 -2.06 0.00 0.00 179.45 177.99 2f57 h GLU 596 N 0.27 0.19 -2.48 3.15 3.07 -2.03 -3.38 114.58 113.37 2f57 h GLU 596 Ca 0.07 -0.29 -0.59 0.00 -0.50 0.00 0.00 59.36 58.05 2f57 h GLU 596 Cb 0.02 0.10 -0.39 0.00 -0.84 0.00 0.00 28.75 27.64 2f57 h GLU 596 CO -0.01 1.09 -0.90 0.28 -1.40 0.00 0.00 179.01 178.07 2f57 n VAL 597 N -3.53 -0.56 0.62 3.13 0.31 -1.00 -4.99 118.33 112.31 2f57 n VAL 597 Ca -0.05 -3.78 0.11 0.00 -0.01 0.00 0.00 64.34 60.61 2f57 n VAL 597 Cb 0.94 -1.78 0.45 0.00 -0.91 0.00 0.00 33.84 32.54 2f57 n VAL 597 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2f57 n PRO 598 N 2.54 0.12 -4.24 5.55 -0.04 -0.23 -1.64 135.00 137.05 2f57 n PRO 598 Ca 0.27 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.79 2f57 n PRO 598 Cb 0.46 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 2f57 n PRO 598 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2f57 s LYS 599 N -3.11 1.02 0.25 0.54 -0.14 -1.26 -4.74 119.74 112.29 2f57 s LYS 599 Ca 0.09 -1.24 0.09 0.00 -1.36 0.00 0.00 55.97 53.54 2f57 s LYS 599 Cb 0.12 -0.89 -0.04 0.00 -1.68 0.00 0.00 37.83 35.34 2f57 s LYS 599 CO 0.44 0.17 0.03 1.03 -0.76 0.00 0.00 175.35 176.26 2f57 s ARG 600 N -2.69 2.43 -0.56 1.68 1.81 -0.19 -4.86 118.95 116.57 2f57 s ARG 600 Ca 0.09 -1.29 0.04 0.00 -1.72 0.00 0.00 55.73 52.85 2f57 s ARG 600 Cb -0.05 -2.27 0.15 0.00 -0.45 0.00 0.00 34.95 32.33 2f57 s ARG 600 CO 0.03 0.39 0.36 0.15 -0.68 0.00 0.00 175.30 175.55 2f57 s LYS 601 N -3.57 1.88 -0.39 3.54 1.02 -1.26 -0.67 119.74 120.29 2f57 s LYS 601 Ca 0.31 -2.72 0.02 0.00 0.02 0.00 0.00 55.97 53.60 2f57 s LYS 601 Cb -0.07 -2.89 0.12 0.00 -0.52 0.00 0.00 37.83 34.47 2f57 s LYS 601 CO 0.21 -1.23 0.17 -1.17 -0.92 0.00 0.00 175.35 172.41 2f57 s LEU 603 N -0.58 2.91 -0.00 3.17 2.96 -1.26 -4.77 118.68 121.10 2f57 s LEU 603 Ca 0.22 -2.30 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 2f57 s LEU 603 Cb -0.13 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.47 2f57 s LEU 603 CO -0.09 -0.32 -0.01 0.54 -1.32 0.00 0.00 176.35 175.14 2f57 s VAL 604 N 0.76 0.10 -5.00 1.68 0.11 -1.26 -5.12 120.40 111.67 2f57 s VAL 604 Ca 0.14 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2f57 s VAL 604 Cb -0.22 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 2f57 s VAL 604 CO -0.08 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 2f57 n GLY 605 N 3.13 0.79 3.31 6.54 0.00 -1.26 -4.95 105.19 112.75 2f57 n GLY 605 Ca -0.13 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 2f57 n GLY 605 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f57 s THR 606 N -2.19 3.37 0.13 2.61 2.01 -1.26 -5.04 115.64 115.26 2f57 s THR 606 Ca 0.00 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 2f57 s THR 606 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.97 2f57 s THR 606 CO 0.00 0.41 1.09 -2.65 -0.69 0.00 0.00 174.62 172.79 2f57 n PRO 607 N 4.80 -0.28 0.29 4.92 -0.02 -1.26 -0.85 135.00 142.60 2f57 n PRO 607 Ca -0.18 1.08 0.18 0.00 -2.02 0.00 0.00 63.50 62.56 2f57 n PRO 607 Cb 0.51 -1.59 0.85 0.00 -0.02 0.00 0.00 33.50 33.25 2f57 n PRO 607 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2f57 h TYR 608 N 0.00 0.00 -0.02 6.00 0.05 -1.91 -2.52 116.97 118.56 2f57 h TYR 608 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 2f57 h TYR 608 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2f57 h TYR 608 CO -0.71 0.03 -0.15 0.91 -1.05 0.00 0.00 178.16 177.19 2f57 n TRP 609 N -3.19 0.00 -2.70 4.88 8.01 -0.03 -4.73 117.44 119.68 2f57 n TRP 609 Ca -0.01 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 2f57 n TRP 609 Cb 0.23 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.47 2f57 n TRP 609 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2f57 s MET 610 N -2.08 4.76 0.45 -0.99 -1.94 -0.95 -4.09 119.30 114.46 2f57 s MET 610 Ca 0.24 1.52 -0.24 0.00 -1.71 0.00 0.00 55.69 55.50 2f57 s MET 610 Cb 0.19 -3.17 -0.08 0.00 2.01 0.00 0.00 34.83 33.78 2f57 s MET 610 CO 0.38 0.41 1.18 0.00 -0.01 0.00 0.00 175.02 176.98 2f57 s ALA 611 N -1.26 3.02 0.39 3.03 0.00 -1.26 -4.91 121.76 120.77 2f57 s ALA 611 Ca 0.43 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.46 2f57 s ALA 611 Cb -0.26 -3.39 0.88 0.00 0.00 0.00 0.00 23.12 20.35 2f57 s ALA 611 CO 0.32 -0.65 1.94 -1.00 0.00 0.00 0.00 175.76 176.37 2f57 h PRO 612 N 2.20 0.58 0.00 0.00 0.13 -1.89 -1.06 132.00 131.94 2f57 h PRO 612 Ca -0.49 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2f57 h PRO 612 Cb 1.25 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2f57 h PRO 612 CO 0.61 0.38 -0.35 1.05 -0.23 0.00 0.00 178.00 179.46 2f57 h GLU 613 N 0.59 0.00 -0.12 0.86 9.09 -1.92 0.96 114.58 124.04 2f57 h GLU 613 Ca 0.34 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.66 2f57 h GLU 613 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 2f57 h GLU 613 CO -0.12 0.35 -0.25 0.28 0.05 0.00 0.00 179.01 179.32 2f57 h VAL 614 N 0.00 1.38 -0.65 -1.06 2.07 -1.48 -1.69 116.25 114.81 2f57 h VAL 614 Ca -0.00 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 2f57 h VAL 614 Cb 0.76 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2f57 h VAL 614 CO 0.05 0.45 0.18 0.40 0.02 0.00 0.00 177.57 178.66 2f57 h ILE 615 N -0.03 1.25 0.00 4.57 2.04 -1.10 -0.89 117.51 123.34 2f57 h ILE 615 Ca 0.00 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2f57 h ILE 615 Cb 0.84 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2f57 h ILE 615 CO 0.06 0.34 0.00 -1.20 0.00 0.00 0.00 178.15 177.34 2f57 n SER 616 N -4.26 0.00 -3.37 1.72 7.64 0.30 -4.89 113.62 110.77 2f57 n SER 616 Ca 0.05 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.74 2f57 n SER 616 Cb 0.23 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2f57 n SER 616 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f57 n ARG 617 N -1.28 -6.04 -3.74 1.43 5.12 -0.34 -5.00 116.66 106.81 2f57 n ARG 617 Ca 0.07 0.81 -0.30 0.00 -1.93 0.00 0.00 57.85 56.50 2f57 n ARG 617 Cb 0.12 -5.74 -0.04 0.00 -1.16 0.00 0.00 32.46 25.64 2f57 n ARG 617 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2f57 s LEU 618 N -6.99 4.28 0.23 0.55 1.43 -0.67 -5.00 118.68 112.51 2f57 s LEU 618 Ca 0.46 0.46 -0.32 0.00 -1.03 0.00 0.00 54.13 53.71 2f57 s LEU 618 Cb -0.21 -3.19 -0.13 0.00 0.03 0.00 0.00 46.19 42.69 2f57 s LEU 618 CO 0.57 0.06 1.52 -2.65 0.23 0.00 0.00 176.35 176.08 2f57 n PRO 619 N -0.05 2.27 -4.19 1.29 -0.02 -1.26 -4.65 135.00 128.39 2f57 n PRO 619 Ca -0.04 0.81 -0.11 0.00 -2.02 0.00 0.00 63.50 62.14 2f57 n PRO 619 Cb 0.52 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 2f57 n PRO 619 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2f57 s TYR 620 N 0.31 1.02 0.00 6.00 -0.85 0.15 -4.93 117.35 119.05 2f57 s TYR 620 Ca 0.71 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 2f57 s TYR 620 Cb -0.61 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.16 2f57 s TYR 620 CO 0.45 -0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 2f57 n GLY 621 N -0.17 5.44 0.31 5.49 0.00 -1.26 -1.02 105.19 113.99 2f57 n GLY 621 Ca -0.04 -1.18 0.21 0.00 0.00 0.00 0.00 46.02 45.00 2f57 n GLY 621 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2f57 h THR 622 N 0.00 0.00 -0.09 2.61 1.35 -1.93 -2.87 112.91 111.98 2f57 h THR 622 Ca 0.00 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2f57 h THR 622 Cb 0.00 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2f57 h THR 622 CO 0.00 0.00 0.09 -0.33 -0.25 0.00 0.00 175.52 175.03 2f57 h GLU 623 N 0.00 0.00 -0.14 4.72 3.07 -1.95 -2.10 114.58 118.17 2f57 h GLU 623 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2f57 h GLU 623 Cb 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2f57 h GLU 623 CO 0.00 0.00 0.01 -0.39 -1.40 0.00 0.00 179.01 177.23 2f57 h VAL 624 N 0.00 1.08 -0.10 3.13 -1.51 -1.93 -1.46 116.25 115.48 2f57 h VAL 624 Ca 0.04 -0.31 -0.09 0.00 -1.23 0.00 0.00 66.70 65.11 2f57 h VAL 624 Cb 0.22 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2f57 h VAL 624 CO -0.00 0.11 -0.34 0.44 -1.23 0.00 0.00 177.57 176.54 2f57 h ASP 625 N 0.19 0.19 -0.30 4.19 3.32 -1.63 -2.22 116.42 120.16 2f57 h ASP 625 Ca 0.05 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2f57 h ASP 625 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2f57 h ASP 625 CO 0.00 0.53 -0.26 0.40 -1.72 0.00 0.00 179.24 178.19 2f57 h ILE 626 N 0.17 1.30 -0.23 0.35 1.08 -1.39 -0.50 117.51 118.28 2f57 h ILE 626 Ca 0.02 -1.41 0.03 0.00 -0.39 0.00 0.00 64.86 63.11 2f57 h ILE 626 Cb 0.69 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 2f57 h ILE 626 CO 0.05 0.45 0.06 -0.25 -0.69 0.00 0.00 178.15 177.77 2f57 h TRP 627 N 0.46 0.10 -0.80 1.37 2.91 -1.41 -1.56 115.95 117.01 2f57 h TRP 627 Ca 0.05 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 2f57 h TRP 627 Cb 0.82 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.42 2f57 h TRP 627 CO 0.07 0.04 0.38 0.77 -1.03 0.00 0.00 178.44 178.67 2f57 h SER 628 N 0.15 1.05 -0.77 2.65 0.02 -1.28 -0.99 113.55 114.39 2f57 h SER 628 Ca 0.10 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2f57 h SER 628 Cb 0.09 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2f57 h SER 628 CO -0.13 0.89 0.50 0.25 -1.14 0.00 0.00 176.83 177.20 2f57 h LEU 629 N 1.15 0.85 -0.73 5.07 5.85 -0.89 -0.12 115.31 126.48 2f57 h LEU 629 Ca 0.28 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2f57 h LEU 629 Cb 0.12 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2f57 h LEU 629 CO -0.03 0.60 0.45 1.23 -0.34 0.00 0.00 178.44 180.35 2f57 h GLY 630 N 1.00 1.07 1.18 3.75 0.00 -0.19 -0.17 103.07 109.72 2f57 h GLY 630 Ca 0.29 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2f57 h GLY 630 CO -0.08 0.27 0.25 -2.22 0.00 0.00 0.00 176.54 174.76 2f57 h ILE 631 N 0.87 1.24 -0.26 2.60 1.08 -0.72 -2.03 117.51 120.29 2f57 h ILE 631 Ca 0.30 -0.79 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 2f57 h ILE 631 Cb 0.06 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 2f57 h ILE 631 CO -0.13 0.32 -0.06 -0.03 -0.69 0.00 0.00 178.15 177.56 2f57 h MET 632 N 1.01 0.41 -0.54 2.37 4.05 -0.22 0.27 114.93 122.29 2f57 h MET 632 Ca 0.23 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 2f57 h MET 632 Cb 0.23 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2f57 h MET 632 CO -0.02 0.49 0.18 0.28 0.23 0.00 0.00 176.91 178.08 2f57 h VAL 633 N 0.39 1.23 -0.62 -5.77 2.07 -0.50 -0.27 116.25 112.78 2f57 h VAL 633 Ca 0.08 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2f57 h VAL 633 Cb 0.36 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2f57 h VAL 633 CO 0.02 0.28 0.37 0.40 0.02 0.00 0.00 177.57 178.66 2f57 h ILE 634 N 0.74 1.04 -0.55 4.57 2.04 -0.67 -1.58 117.51 123.10 2f57 h ILE 634 Ca 0.18 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2f57 h ILE 634 Cb 0.25 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 2f57 h ILE 634 CO -0.01 0.13 0.13 -0.08 0.00 0.00 0.00 178.15 178.33 2f57 h GLU 635 N 0.71 0.27 -0.77 2.37 4.81 -0.53 0.35 114.58 121.79 2f57 h GLU 635 Ca 0.26 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2f57 h GLU 635 Cb 0.07 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2f57 h GLU 635 CO -0.12 0.18 0.40 0.52 -0.73 0.00 0.00 179.01 179.26 2f57 h MET 636 N 0.28 1.09 0.15 1.92 2.86 -0.41 0.27 114.93 121.09 2f57 h MET 636 Ca 0.28 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2f57 h MET 636 Cb 0.38 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2f57 h MET 636 CO -0.34 0.82 -0.07 0.82 1.06 0.00 0.00 176.91 179.20 2f57 h ILE 637 N 1.07 0.68 0.00 -1.22 2.04 -0.74 -3.38 117.51 115.96 2f57 h ILE 637 Ca 0.27 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2f57 h ILE 637 Cb 0.07 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2f57 h ILE 637 CO -0.04 0.19 -0.94 0.44 0.00 0.00 0.00 178.15 177.81 2f57 h ASP 638 N -0.95 0.00 0.00 1.72 3.32 -0.37 -3.46 116.42 116.68 2f57 h ASP 638 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2f57 h ASP 638 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2f57 h ASP 638 CO 0.03 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 2f57 n GLY 639 N 1.26 0.65 3.43 2.75 0.00 0.95 -5.03 105.19 109.20 2f57 n GLY 639 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2f57 n GLY 639 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2f57 s GLU 640 N -0.78 1.14 0.92 1.61 -1.05 -1.23 -4.67 118.70 114.64 2f57 s GLU 640 Ca 0.00 -0.23 -0.13 0.00 -0.15 0.00 0.00 54.97 54.47 2f57 s GLU 640 Cb 0.00 0.52 0.15 0.00 -0.44 0.00 0.00 34.13 34.36 2f57 s GLU 640 CO 0.00 -0.44 1.15 -1.25 0.95 0.00 0.00 175.26 175.67 2f57 s PRO 641 N -2.70 1.04 0.59 -4.83 0.04 -1.26 -3.95 135.00 123.93 2f57 s PRO 641 Ca -0.04 0.23 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 2f57 s PRO 641 Cb -0.01 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2f57 s PRO 641 CO -0.04 -2.26 1.30 -2.30 0.04 0.00 0.00 177.00 173.75 2f57 n PRO 642 N -3.80 1.40 -2.07 0.56 -0.02 -1.26 -3.37 135.00 126.44 2f57 n PRO 642 Ca 0.07 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 2f57 n PRO 642 Cb 0.59 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2f57 n PRO 642 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2f57 n TYR 643 N -1.44 -0.57 0.29 6.00 4.01 -1.26 -4.87 117.16 119.31 2f57 n TYR 643 Ca 0.13 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.05 2f57 n TYR 643 Cb 0.46 -3.44 0.73 0.00 -0.31 0.00 0.00 39.34 36.78 2f57 n TYR 643 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2f57 h PHE 644 N 0.00 0.00 0.00 -0.72 3.57 -1.94 -0.99 116.94 116.85 2f57 h PHE 644 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2f57 h PHE 644 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2f57 h PHE 644 CO 0.50 0.00 0.00 0.27 -2.23 0.00 0.00 178.31 176.85 2f57 n ASN 645 N -3.05 0.14 -4.90 0.41 6.94 -1.26 -4.85 115.26 108.70 2f57 n ASN 645 Ca 0.00 0.51 -0.32 0.00 -0.02 0.00 0.00 54.58 54.76 2f57 n ASN 645 Cb 0.28 -0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 2f57 n ASN 645 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2f57 s GLU 646 N -3.02 3.60 0.39 -3.83 2.02 -0.38 -5.06 118.70 112.42 2f57 s GLU 646 Ca 0.13 -0.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.75 2f57 s GLU 646 Cb 0.17 -2.90 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 2f57 s GLU 646 CO 0.52 0.50 1.02 -2.30 0.02 0.00 0.00 175.26 175.03 2f57 n PRO 647 N 0.24 1.41 -0.23 0.39 -0.02 -1.26 -4.64 135.00 130.89 2f57 n PRO 647 Ca -0.04 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 2f57 n PRO 647 Cb 0.52 -2.02 0.14 0.00 -0.02 0.00 0.00 33.50 32.12 2f57 n PRO 647 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2f57 h PRO 648 N 1.71 0.16 -0.19 0.52 0.11 -1.95 0.77 132.00 133.13 2f57 h PRO 648 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 2f57 h PRO 648 Cb 1.33 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2f57 h PRO 648 CO 0.58 0.11 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.17 2f57 h LEU 649 N 0.16 0.34 -0.28 2.35 3.38 -1.99 -0.19 115.31 119.08 2f57 h LEU 649 Ca 0.37 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 2f57 h LEU 649 Cb 0.61 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2f57 h LEU 649 CO -0.54 0.58 -0.17 -0.61 0.09 0.00 0.00 178.44 177.78 2f57 h GLN 650 N 0.31 0.61 -0.74 1.13 4.15 -1.59 -2.04 115.11 116.94 2f57 h GLN 650 Ca 0.05 -0.28 0.08 0.00 0.77 0.00 0.00 58.65 59.26 2f57 h GLN 650 Cb 0.58 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 2f57 h GLN 650 CO 0.04 0.87 0.41 0.00 -1.93 0.00 0.00 178.83 178.22 2f57 h ALA 651 N 0.73 1.02 -0.62 3.38 0.00 -0.48 -2.33 119.26 120.96 2f57 h ALA 651 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2f57 h ALA 651 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2f57 h ALA 651 CO 0.05 0.07 0.25 0.52 0.00 0.00 0.00 179.25 180.14 2f57 h MET 652 N 0.73 0.92 -0.81 0.00 2.86 -0.86 -0.16 114.93 117.60 2f57 h MET 652 Ca 0.34 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.89 2f57 h MET 652 Cb 0.27 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 2f57 h MET 652 CO -0.22 0.77 0.49 0.00 1.06 0.00 0.00 176.91 179.01 2f57 h ARG 653 N 0.86 0.85 -0.37 1.72 3.08 -1.07 0.57 114.38 120.03 2f57 h ARG 653 Ca 0.21 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2f57 h ARG 653 Cb 0.19 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2f57 h ARG 653 CO -0.02 0.56 0.15 0.00 -1.07 0.00 0.00 179.97 179.59 2f57 h ARG 654 N 0.88 0.55 -0.49 0.04 3.08 -0.85 -0.53 114.38 117.06 2f57 h ARG 654 Ca 0.36 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.34 2f57 h ARG 654 Cb 0.22 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2f57 h ARG 654 CO -0.19 0.53 0.29 0.82 -1.07 0.00 0.00 179.97 180.36 2f57 h ILE 655 N 0.45 1.05 -0.46 2.04 2.04 -0.71 0.82 117.51 122.75 2f57 h ILE 655 Ca 0.12 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 2f57 h ILE 655 Cb 0.19 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2f57 h ILE 655 CO -0.01 0.11 0.09 -0.09 0.00 0.00 0.00 178.15 178.25 2f57 h ARG 656 N 0.59 0.69 0.00 2.37 2.43 -0.62 -3.35 114.38 116.49 2f57 h ARG 656 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2f57 h ARG 656 Cb 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2f57 h ARG 656 CO -0.09 0.64 -0.77 -0.25 -1.51 0.00 0.00 179.97 178.00 2f57 n ASP 657 N -4.29 1.06 -4.84 -3.80 8.00 -0.23 -5.01 116.55 107.45 2f57 n ASP 657 Ca 0.03 -0.54 -0.22 0.00 0.71 0.00 0.00 54.79 54.78 2f57 n ASP 657 Cb 0.22 1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 42.41 2f57 n ASP 657 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2f57 s SER 658 N -2.32 4.99 0.88 -2.24 0.01 0.26 -5.05 113.70 110.22 2f57 s SER 658 Ca 0.02 -0.73 -0.11 0.00 1.31 0.00 0.00 55.95 56.43 2f57 s SER 658 Cb 0.08 -0.67 0.13 0.00 0.21 0.00 0.00 66.02 65.77 2f57 s SER 658 CO 0.43 -0.53 1.17 -0.76 0.41 0.00 0.00 173.24 173.95 2f57 s LEU 659 N -4.04 2.94 0.64 2.44 1.43 -1.26 -4.89 118.68 115.93 2f57 s LEU 659 Ca 0.45 2.26 -0.18 0.00 -1.03 0.00 0.00 54.13 55.62 2f57 s LEU 659 Cb -0.03 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.59 2f57 s LEU 659 CO 0.26 -2.99 1.09 -2.65 0.23 0.00 0.00 176.35 172.29 2f57 n PRO 660 N -3.96 0.91 -2.44 1.29 -0.02 -1.26 -4.94 135.00 124.58 2f57 n PRO 660 Ca 0.12 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 2f57 n PRO 660 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2f57 n PRO 660 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2f57 s PRO 661 N -3.09 3.67 0.23 0.52 0.04 -1.26 -5.06 135.00 130.05 2f57 s PRO 661 Ca 0.79 1.40 0.10 0.00 0.04 0.00 0.00 61.00 63.32 2f57 s PRO 661 Cb -0.39 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2f57 s PRO 661 CO 0.44 -0.55 -0.11 1.03 0.04 0.00 0.00 177.00 177.86 2f57 s ARG 662 N -3.32 1.99 0.13 4.56 0.52 -1.26 -5.05 118.95 116.52 2f57 s ARG 662 Ca 0.68 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 2f57 s ARG 662 Cb -0.18 -2.03 -0.09 0.00 0.52 0.00 0.00 34.95 33.17 2f57 s ARG 662 CO 0.23 0.38 1.54 0.08 0.02 0.00 0.00 175.30 177.55 2f57 s VAL 663 N -2.09 2.90 0.13 3.52 1.01 -1.26 -4.93 120.40 119.69 2f57 s VAL 663 Ca 0.28 0.59 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 2f57 s VAL 663 Cb -0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 2f57 s VAL 663 CO 0.16 0.03 1.59 0.50 0.00 0.00 0.00 175.10 177.38 2f57 h LYS 664 N 7.13 0.77 -2.01 2.72 1.63 -1.97 -3.00 116.57 121.83 2f57 h LYS 664 Ca -0.42 -0.24 -0.67 0.00 -0.85 0.00 0.00 60.65 58.47 2f57 h LYS 664 Cb 1.20 -0.07 -0.23 0.00 -0.60 0.00 0.00 32.23 32.53 2f57 h LYS 664 CO 0.91 0.83 0.82 -0.25 -3.45 0.00 0.00 179.45 178.31 2f57 n ASP 665 N -4.41 7.13 -0.04 4.20 8.00 -1.26 -4.72 116.55 125.45 2f57 n ASP 665 Ca -0.00 -3.59 0.16 0.00 0.71 0.00 0.00 54.79 52.07 2f57 n ASP 665 Cb 0.29 -1.14 0.59 0.00 -0.02 0.00 0.00 41.12 40.85 2f57 n ASP 665 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2f57 h LEU 666 N 3.41 0.19 -1.70 0.64 5.85 -1.93 -0.66 115.31 121.11 2f57 h LEU 666 Ca 0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.23 2f57 h LEU 666 Cb 0.30 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2f57 h LEU 666 CO 1.22 0.10 0.00 1.12 -0.34 0.00 0.00 178.44 180.54 2f57 h HIS 667 N 0.20 0.00 -0.02 1.25 2.07 -1.89 -0.69 115.15 116.07 2f57 h HIS 667 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 2f57 h HIS 667 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 2f57 h HIS 667 CO -0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 2f57 n LYS 668 N -2.56 1.66 -4.24 5.12 4.76 -0.26 -4.90 118.16 117.74 2f57 n LYS 668 Ca -0.01 -0.96 -0.34 0.00 -2.87 0.00 0.00 58.31 54.13 2f57 n LYS 668 Cb 0.11 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.71 2f57 n LYS 668 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f57 s VAL 669 N -1.99 4.28 0.81 -0.18 1.01 -0.27 -5.06 120.40 119.00 2f57 s VAL 669 Ca 0.38 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2f57 s VAL 669 Cb 0.21 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.78 2f57 s VAL 669 CO 0.33 0.49 1.10 -0.94 0.00 0.00 0.00 175.10 176.09 2f57 s SER 670 N 0.27 4.08 0.25 3.32 1.04 -1.26 -4.82 113.70 116.59 2f57 s SER 670 Ca -0.00 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.28 2f57 s SER 670 Cb -0.13 -2.52 0.37 0.00 0.10 0.00 0.00 66.02 63.84 2f57 s SER 670 CO 0.02 -2.32 1.84 0.28 0.98 0.00 0.00 173.24 174.04 2f57 h SER 671 N -1.32 0.81 -0.61 7.02 0.02 -1.99 -0.98 113.55 116.50 2f57 h SER 671 Ca -0.44 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.44 2f57 h SER 671 Cb 1.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2f57 h SER 671 CO 0.49 0.50 -0.00 1.62 -1.14 0.00 0.00 176.83 178.29 2f57 h VAL 672 N 0.93 1.27 -0.42 2.27 3.04 -2.00 -1.27 116.25 120.07 2f57 h VAL 672 Ca 0.39 -1.16 -0.12 0.00 -1.01 0.00 0.00 66.70 64.80 2f57 h VAL 672 Cb 0.25 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 2f57 h VAL 672 CO -0.20 0.42 -0.21 0.25 -1.01 0.00 0.00 177.57 176.82 2f57 h LEU 673 N 0.98 0.85 -0.73 3.16 5.85 -1.86 -2.12 115.31 121.44 2f57 h LEU 673 Ca 0.17 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2f57 h LEU 673 Cb 0.57 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2f57 h LEU 673 CO 0.03 1.03 0.42 0.03 -0.34 0.00 0.00 178.44 179.62 2f57 h ARG 674 N 0.73 0.74 -0.65 1.25 3.08 -0.86 -0.15 114.38 118.52 2f57 h ARG 674 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2f57 h ARG 674 Cb 0.74 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2f57 h ARG 674 CO 0.06 0.49 0.28 0.78 -1.07 0.00 0.00 179.97 180.51 2f57 h GLY 675 N 0.77 1.02 0.99 0.04 0.00 -1.04 0.29 103.07 105.14 2f57 h GLY 675 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2f57 h GLY 675 CO -0.18 0.51 0.10 -2.75 0.00 0.00 0.00 176.54 174.21 2f57 h PHE 676 N 0.91 0.18 -0.71 5.60 3.57 -1.06 -2.79 116.94 122.64 2f57 h PHE 676 Ca 0.22 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2f57 h PHE 676 Cb 0.17 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2f57 h PHE 676 CO 0.01 0.12 0.20 1.25 -2.23 0.00 0.00 178.31 177.65 2f57 h LEU 677 N 0.20 1.05 -2.53 0.59 5.85 -0.77 -2.34 115.31 117.36 2f57 h LEU 677 Ca 0.06 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2f57 h LEU 677 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 2f57 h LEU 677 CO -0.02 0.99 -0.00 0.44 -0.34 0.00 0.00 178.44 179.51 2f57 h ASP 678 N 1.07 0.00 1.68 1.25 3.32 -0.73 -1.29 116.42 121.72 2f57 h ASP 678 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2f57 h ASP 678 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2f57 h ASP 678 CO -0.00 0.00 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.18 2f57 h LEU 679 N 0.00 0.00 0.04 1.55 3.38 -1.16 -3.38 115.31 115.75 2f57 h LEU 679 Ca -0.00 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2f57 h LEU 679 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2f57 h LEU 679 CO 0.00 0.00 -2.23 0.23 0.09 0.00 0.00 178.44 176.53 2f57 n MET 680 N -2.92 0.68 -2.39 1.13 2.81 -0.58 -1.15 117.12 114.70 2f57 n MET 680 Ca 0.03 0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.74 2f57 n MET 680 Cb 0.53 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2f57 n MET 680 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2f57 n LEU 681 N -3.53 7.14 -4.33 4.03 4.77 -0.64 -4.05 117.00 120.39 2f57 n LEU 681 Ca -0.41 -4.92 -0.33 0.00 -0.03 0.00 0.00 56.01 50.32 2f57 n LEU 681 Cb 0.98 -1.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 2f57 n LEU 681 CO 0.29 1.73 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.95 2f57 s VAL 682 N -1.26 2.99 0.11 4.08 1.01 -1.26 -4.78 120.40 121.29 2f57 s VAL 682 Ca 0.42 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2f57 s VAL 682 Cb 0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2f57 s VAL 682 CO -0.02 0.50 1.64 0.03 0.00 0.00 0.00 175.10 177.26 2f57 h ARG 683 N 7.14 0.45 -6.41 2.72 3.08 -1.97 -3.40 114.38 115.99 2f57 h ARG 683 Ca -0.31 -0.09 -0.57 0.00 0.07 0.00 0.00 59.98 59.08 2f57 h ARG 683 Cb 1.20 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 2f57 h ARG 683 CO 0.57 0.48 0.87 -2.00 -1.07 0.00 0.00 179.97 178.82 2f57 s GLU 684 N -5.49 3.98 0.48 0.04 2.56 -1.26 -4.77 118.70 114.23 2f57 s GLU 684 Ca -0.13 0.94 0.16 0.00 0.00 0.00 0.00 54.97 55.93 2f57 s GLU 684 Cb 0.09 -3.78 1.15 0.00 2.00 0.00 0.00 34.13 33.59 2f57 s GLU 684 CO 0.73 -1.03 2.06 -1.00 -0.56 0.00 0.00 175.26 175.46 2f57 h PRO 685 N 8.39 0.21 0.00 4.30 0.13 -1.96 -1.08 132.00 141.99 2f57 h PRO 685 Ca -0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2f57 h PRO 685 Cb 1.06 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2f57 h PRO 685 CO 1.06 0.14 0.00 0.66 -0.23 0.00 0.00 178.00 179.62 2f57 h SER 686 N 0.21 0.00 -0.25 1.44 4.64 -1.95 -2.09 113.55 115.56 2f57 h SER 686 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2f57 h SER 686 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2f57 h SER 686 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2f57 n GLN 687 N -2.49 2.13 -3.15 4.77 1.13 -0.42 -4.95 117.38 114.40 2f57 n GLN 687 Ca 0.01 -1.98 -0.38 0.00 -1.94 0.00 0.00 57.00 52.71 2f57 n GLN 687 Cb 0.21 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 2f57 n GLN 687 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2f57 s ARG 688 N -1.39 4.30 0.61 -1.09 3.52 -0.79 -4.96 118.95 119.15 2f57 s ARG 688 Ca 0.30 0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 56.59 2f57 s ARG 688 Cb 0.18 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 2f57 s ARG 688 CO 0.26 0.54 1.19 0.00 -0.81 0.00 0.00 175.30 176.48 2f57 s ALA 689 N -1.26 2.51 0.63 6.12 0.00 -0.30 -5.03 121.76 124.43 2f57 s ALA 689 Ca 0.35 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 2f57 s ALA 689 Cb -0.19 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2f57 s ALA 689 CO 0.22 -1.21 0.95 0.95 0.00 0.00 0.00 175.76 176.66 2f57 s THR 690 N -1.70 3.36 0.19 0.00 -4.23 -1.26 -4.91 115.64 107.09 2f57 s THR 690 Ca 0.76 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.16 2f57 s THR 690 Cb -0.29 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2f57 s THR 690 CO 0.34 -0.39 1.86 0.00 -0.54 0.00 0.00 174.62 175.89 2f57 h ALA 691 N -0.32 0.82 -0.88 3.99 0.00 -1.93 -0.37 119.26 120.58 2f57 h ALA 691 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2f57 h ALA 691 Cb 1.27 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2f57 h ALA 691 CO 0.61 0.25 0.51 0.37 0.00 0.00 0.00 179.25 180.99 2f57 h GLN 692 N 0.88 1.21 -0.38 0.00 5.75 -1.93 -1.31 115.11 119.33 2f57 h GLN 692 Ca 0.24 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2f57 h GLN 692 Cb -0.10 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.19 2f57 h GLN 692 CO -0.05 0.87 0.10 0.93 -2.65 0.00 0.00 178.83 178.02 2f57 h GLU 693 N 1.22 0.60 0.00 1.69 5.08 -1.84 -3.04 114.58 118.29 2f57 h GLU 693 Ca 0.31 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2f57 h GLU 693 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2f57 h GLU 693 CO -0.06 0.63 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.33 2f57 h LEU 694 N 0.47 0.00 -2.37 1.33 3.38 -0.66 -2.10 115.31 115.35 2f57 h LEU 694 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2f57 h LEU 694 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2f57 h LEU 694 CO -0.00 0.18 -0.01 -0.07 0.09 0.00 0.00 178.44 178.63 2f57 h LEU 695 N 0.00 0.00 -0.90 1.67 3.38 -1.12 -1.27 115.31 117.07 2f57 h LEU 695 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f57 h LEU 695 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2f57 h LEU 695 CO 0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2f57 n GLY 696 N -1.27 -0.04 3.76 0.83 0.00 -0.79 -4.92 105.19 102.75 2f57 n GLY 696 Ca -0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2f57 n GLY 696 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2f57 s HIS 697 N -1.96 3.42 0.56 1.61 5.04 -0.48 -4.92 115.29 118.55 2f57 s HIS 697 Ca 0.37 1.57 0.28 0.00 -1.54 0.00 0.00 55.06 55.74 2f57 s HIS 697 Cb 0.20 -3.41 1.47 0.00 0.04 0.00 0.00 32.58 30.88 2f57 s HIS 697 CO 0.32 -1.02 1.95 -1.35 -2.34 0.00 0.00 174.74 172.30 2f57 h PRO 698 N 4.05 0.00 -0.96 2.88 0.11 -1.92 -2.04 132.00 134.12 2f57 h PRO 698 Ca -0.47 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2f57 h PRO 698 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 2f57 h PRO 698 CO 0.68 0.00 0.61 0.35 -0.21 0.00 0.00 178.00 179.44 2f57 h PHE 699 N 0.00 1.05 0.00 0.65 3.57 -1.91 -1.58 116.94 118.72 2f57 h PHE 699 Ca 0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2f57 h PHE 699 Cb 1.15 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2f57 h PHE 699 CO 0.00 0.43 0.00 1.28 -2.23 0.00 0.00 178.31 177.79 2f57 n LEU 700 N -4.58 0.00 0.31 0.59 4.77 -0.76 -1.57 117.00 115.75 2f57 n LEU 700 Ca 0.18 0.43 0.19 0.00 -0.03 0.00 0.00 56.01 56.77 2f57 n LEU 700 Cb 0.36 -0.43 0.96 0.00 -2.33 0.00 0.00 43.42 41.98 2f57 n LEU 700 CO 0.29 -0.16 1.09 0.11 -1.33 0.00 0.00 177.39 177.39 2f57 h LYS 701 N 0.00 0.00 0.00 3.23 1.57 -1.43 -2.27 116.57 117.67 2f57 h LYS 701 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f57 h LYS 701 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2f57 h LYS 701 CO 0.00 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 2f57 n LEU 702 N -3.25 0.27 -4.70 2.94 4.77 -0.61 -4.90 117.00 111.53 2f57 n LEU 702 Ca -0.02 0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 56.09 2f57 n LEU 702 Cb 0.17 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2f57 n LEU 702 CO 0.24 -0.14 0.86 0.00 -1.33 0.00 0.00 177.39 177.02 2f57 n ALA 703 N -1.60 1.22 -4.56 -1.18 0.00 -0.86 -4.38 120.51 109.15 2f57 n ALA 703 Ca 0.06 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 2f57 n ALA 703 Cb 0.32 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 2f57 n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f57 n GLY 704 N 0.85 3.40 3.84 0.00 0.00 -1.26 -4.93 105.19 107.10 2f57 n GLY 704 Ca 0.08 -2.36 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 2f57 n GLY 704 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f57 s PRO 705 N -3.89 1.75 0.48 1.61 0.04 -1.26 -4.86 135.00 128.86 2f57 s PRO 705 Ca 0.06 0.28 0.26 0.00 0.04 0.00 0.00 61.00 61.64 2f57 s PRO 705 Cb -0.01 -1.91 1.31 0.00 0.04 0.00 0.00 34.50 33.94 2f57 s PRO 705 CO 0.04 -1.78 1.85 -1.35 0.04 0.00 0.00 177.00 175.81 2f57 h PRO 706 N -1.19 0.18 -0.02 0.56 0.11 -1.83 -1.20 132.00 128.60 2f57 h PRO 706 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2f57 h PRO 706 Cb 1.32 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2f57 h PRO 706 CO 0.63 0.12 0.03 0.66 -0.21 0.00 0.00 178.00 179.23 2f57 h SER 707 N 0.18 0.00 1.34 -2.05 4.64 -1.88 -1.51 113.55 114.27 2f57 h SER 707 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2f57 h SER 707 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2f57 h SER 707 CO -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.86 2f57 n ILE 709 N -2.81 1.58 -0.27 0.00 2.08 -0.58 -4.43 119.36 114.94 2f57 n ILE 709 Ca 0.03 -0.80 0.08 0.00 0.56 0.00 0.00 62.75 62.62 2f57 n ILE 709 Cb 0.38 -0.98 0.22 0.00 -0.75 0.00 0.00 39.64 38.51 2f57 n ILE 709 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2f57 h VAL 710 N 0.00 0.42 0.00 1.39 2.07 -1.49 -0.72 116.25 117.92 2f57 h VAL 710 Ca -0.33 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2f57 h VAL 710 Cb 2.05 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2f57 h VAL 710 CO 0.07 0.04 0.02 -0.65 0.02 0.00 0.00 177.57 177.07 2f57 h PRO 711 N 0.24 0.00 0.00 1.57 0.11 -1.77 -1.96 132.00 130.18 2f57 h PRO 711 Ca 0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.51 2f57 h PRO 711 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2f57 h PRO 711 CO -0.58 0.00 -0.46 -0.07 -0.21 0.00 0.00 178.00 176.68 2f57 h LEU 712 N 0.00 0.00 -9.48 2.35 3.38 -1.41 -3.46 115.31 106.69 2f57 h LEU 712 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2f57 h LEU 712 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2f57 h LEU 712 CO 0.00 0.33 0.43 -0.04 0.09 0.00 0.00 178.44 179.25 2f57 s MET 713 N -3.06 4.55 -0.46 1.13 -1.94 -0.74 -4.84 119.30 113.94 2f57 s MET 713 Ca 0.04 1.55 0.06 0.00 -1.71 0.00 0.00 55.69 55.63 2f57 s MET 713 Cb 0.07 -3.40 0.20 0.00 2.01 0.00 0.00 34.83 33.71 2f57 s MET 713 CO 0.73 -0.06 0.45 0.54 -0.01 0.00 0.00 175.02 176.67 2f57 n ARG 714 N 3.60 0.71 -4.12 2.03 1.74 -1.26 -5.07 116.66 114.29 2f57 n ARG 714 Ca 0.06 -3.45 -0.19 0.00 -0.77 0.00 0.00 57.85 53.50 2f57 n ARG 714 Cb 0.49 -1.64 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 2f57 n ARG 714 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2f57 s GLN 715 N -0.70 0.69 0.53 5.56 -1.52 -1.26 -5.08 119.66 117.88 2f57 s GLN 715 Ca 0.33 -0.07 -0.22 0.00 -1.95 0.00 0.00 55.36 53.46 2f57 s GLN 715 Cb 0.08 -0.73 -0.05 0.00 -0.22 0.00 0.00 33.01 32.09 2f57 s GLN 715 CO -0.15 -0.08 1.26 0.71 -0.25 0.00 0.00 175.29 176.78 2f57 s TYR 716 N 0.86 2.52 -0.12 0.91 2.02 -1.26 -5.03 117.35 117.25 2f57 s TYR 716 Ca -0.11 1.46 -0.03 0.00 -0.37 0.00 0.00 57.07 58.02 2f57 s TYR 716 Cb -0.14 -3.58 -0.03 0.00 -0.40 0.00 0.00 41.96 37.81 2f57 s TYR 716 CO -0.00 -2.26 0.01 1.03 -1.57 0.00 0.00 175.55 172.76 2f57 s ARG 717 N -2.92 3.31 0.00 -0.62 3.00 -1.26 -5.05 118.95 115.40 2f57 s ARG 717 Ca 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 55.73 56.03 2f57 s ARG 717 Cb -0.34 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 31.70 2f57 s ARG 717 CO 0.40 0.55 0.00 0.72 0.00 0.00 0.00 175.30 176.96