#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f57 s LEU -5 N 0.00 4.26 -0.31 3.41 1.43 -1.26 -5.08 118.68 121.13 2f57 s LEU -5 Ca 0.00 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 2f57 s LEU -5 Cb 0.00 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2f57 s LEU -5 CO 0.00 0.18 0.45 -0.47 0.23 0.00 0.00 176.35 176.74 2f57 s TYR -4 N 0.18 3.22 -0.20 0.29 6.14 -1.26 -5.05 117.35 120.67 2f57 s TYR -4 Ca 0.13 0.29 -0.12 0.00 0.64 0.00 0.00 57.07 58.01 2f57 s TYR -4 Cb -0.12 -2.76 -0.05 0.00 0.42 0.00 0.00 41.96 39.45 2f57 s TYR -4 CO 0.02 -0.40 0.22 -0.06 0.64 0.00 0.00 175.55 175.97 2f57 s PHE -3 N 2.24 3.38 0.54 4.97 0.08 -1.26 -5.07 117.98 122.86 2f57 s PHE -3 Ca 0.17 0.40 -0.17 0.00 0.12 0.00 0.00 56.93 57.45 2f57 s PHE -3 Cb -0.16 -2.30 -0.06 0.00 -0.57 0.00 0.00 43.02 39.93 2f57 s PHE -3 CO 0.11 0.15 1.02 -0.65 -0.10 0.00 0.00 175.22 175.76 2f57 s GLN -2 N 0.77 3.67 0.83 0.44 -0.21 -1.26 -5.02 119.66 118.89 2f57 s GLN -2 Ca 0.12 1.14 -0.10 0.00 0.02 0.00 0.00 55.36 56.53 2f57 s GLN -2 Cb -0.13 -2.09 0.09 0.00 1.00 0.00 0.00 33.01 31.89 2f57 s GLN -2 CO 0.03 -0.51 1.11 -1.54 -2.12 0.00 0.00 175.29 172.26 2f57 s SER -1 N -2.72 3.88 0.53 5.90 1.04 -1.26 -4.73 113.70 116.33 2f57 s SER -1 Ca 0.62 1.91 0.22 0.00 0.48 0.00 0.00 55.95 59.19 2f57 s SER -1 Cb -0.13 -2.51 1.42 0.00 0.10 0.00 0.00 66.02 64.89 2f57 s SER -1 CO 0.31 -2.45 2.14 -0.03 0.98 0.00 0.00 173.24 174.18 2f57 h MET 0 N -1.42 0.00 0.00 4.02 4.05 -1.97 0.11 114.93 119.73 2f57 h MET 0 Ca -0.44 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.95 2f57 h MET 0 Cb 1.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2f57 h MET 0 CO 0.48 0.06 -0.13 0.66 0.23 0.00 0.00 176.91 178.21 2f57 h SER 425 N 0.00 0.00 0.38 1.39 4.64 -1.97 -3.25 113.55 114.73 2f57 h SER 425 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 2f57 h SER 425 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 2f57 h SER 425 CO 0.01 0.13 -1.85 -1.14 -0.87 0.00 0.00 176.83 173.11 2f57 n ARG 426 N -3.50 0.65 -0.77 4.77 3.00 0.37 -4.98 116.66 116.19 2f57 n ARG 426 Ca -0.01 0.20 -0.31 0.00 -0.00 0.00 0.00 57.85 57.73 2f57 n ARG 426 Cb 0.29 -1.72 0.16 0.00 0.00 0.00 0.00 32.46 31.19 2f57 n ARG 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2f57 s VAL 427 N -2.64 2.25 0.79 5.15 -7.23 -1.05 -4.95 120.40 112.72 2f57 s VAL 427 Ca -0.06 0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 60.05 2f57 s VAL 427 Cb 0.08 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2f57 s VAL 427 CO 0.83 -0.11 1.07 -1.54 -0.31 0.00 0.00 175.10 175.04 2f57 n SER 428 N -4.19 0.63 -0.31 4.85 3.41 -1.26 -4.76 113.62 112.00 2f57 n SER 428 Ca 0.11 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 2f57 n SER 428 Cb 0.52 -1.45 0.28 0.00 -0.26 0.00 0.00 64.21 63.31 2f57 n SER 428 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2f57 h HIS 429 N -0.71 1.00 -0.57 7.33 2.76 -1.97 -0.36 115.15 122.62 2f57 h HIS 429 Ca -0.46 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.68 2f57 h HIS 429 Cb 1.31 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 2f57 h HIS 429 CO 0.43 0.44 0.15 0.93 -1.30 0.00 0.00 177.93 178.59 2f57 h GLU 430 N 0.91 0.88 0.00 5.26 3.07 -1.99 -0.43 114.58 122.28 2f57 h GLU 430 Ca 0.43 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 2f57 h GLU 430 Cb 0.43 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2f57 h GLU 430 CO -0.20 0.78 -0.51 1.96 -1.40 0.00 0.00 179.01 179.64 2f57 h GLN 431 N 0.85 0.00 -0.28 2.33 1.08 -1.72 -0.45 115.11 116.92 2f57 h GLN 431 Ca 0.19 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2f57 h GLN 431 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2f57 h GLN 431 CO -0.00 0.21 0.08 0.35 -0.95 0.00 0.00 178.83 178.52 2f57 h PHE 432 N 0.00 0.45 -0.75 2.96 3.57 -0.81 -1.81 116.94 120.55 2f57 h PHE 432 Ca -0.02 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 2f57 h PHE 432 Cb 1.21 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 2f57 h PHE 432 CO 0.00 0.49 0.35 -0.09 -2.23 0.00 0.00 178.31 176.83 2f57 h ARG 433 N 0.29 1.08 -0.47 1.11 2.43 -0.98 -2.53 114.38 115.31 2f57 h ARG 433 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2f57 h ARG 433 Cb 0.25 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2f57 h ARG 433 CO -0.00 0.85 0.12 0.00 -1.51 0.00 0.00 179.97 179.43 2f57 h ALA 434 N 1.17 1.32 -0.27 2.80 0.00 -1.04 0.15 119.26 123.40 2f57 h ALA 434 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2f57 h ALA 434 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2f57 h ALA 434 CO -0.03 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.87 2f57 h ALA 435 N 1.44 0.35 -0.33 0.00 0.00 -1.10 -2.77 119.26 116.85 2f57 h ALA 435 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2f57 h ALA 435 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2f57 h ALA 435 CO -0.00 -0.16 -0.18 -0.07 0.00 0.00 0.00 179.25 178.83 2f57 h LEU 436 N 0.36 0.60 -1.80 0.00 3.38 -0.97 -2.95 115.31 113.92 2f57 h LEU 436 Ca 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2f57 h LEU 436 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2f57 h LEU 436 CO -0.02 0.79 0.08 -0.61 0.09 0.00 0.00 178.44 178.76 2f57 h GLN 437 N 0.54 0.20 0.00 1.13 4.15 -0.45 -1.06 115.11 119.62 2f57 h GLN 437 Ca 0.09 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 2f57 h GLN 437 Cb 0.61 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 2f57 h GLN 437 CO 0.04 0.16 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.89 2f57 h LEU 438 N 0.21 0.00 -0.24 -2.39 3.38 -1.32 -3.31 115.31 111.64 2f57 h LEU 438 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2f57 h LEU 438 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2f57 h LEU 438 CO -0.01 0.14 -0.37 1.33 0.09 0.00 0.00 178.44 179.62 2f57 n VAL 439 N -3.33 0.00 -3.04 1.22 0.24 -0.49 -5.01 118.33 107.93 2f57 n VAL 439 Ca -0.00 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.79 2f57 n VAL 439 Cb 0.36 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.78 2f57 n VAL 439 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2f57 s VAL 440 N -1.73 3.38 0.34 3.34 -7.23 -0.67 -4.86 120.40 112.97 2f57 s VAL 440 Ca 0.05 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.11 2f57 s VAL 440 Cb 0.07 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 2f57 s VAL 440 CO 0.35 -0.10 1.19 -0.44 -0.31 0.00 0.00 175.10 175.78 2f57 s SER 441 N -4.30 6.85 0.80 4.85 0.01 0.46 -4.96 113.70 117.41 2f57 s SER 441 Ca 0.52 2.42 -0.11 0.00 1.31 0.00 0.00 55.95 60.09 2f57 s SER 441 Cb -0.10 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.57 2f57 s SER 441 CO 0.35 -0.45 1.09 -2.16 0.41 0.00 0.00 173.24 172.47 2f57 s PRO 442 N -1.87 2.05 0.34 12.44 0.04 -1.26 -4.48 135.00 142.26 2f57 s PRO 442 Ca 0.50 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2f57 s PRO 442 Cb -0.34 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2f57 s PRO 442 CO 0.44 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2f57 n GLY 443 N -1.18 -1.80 2.93 0.56 0.00 -1.26 -4.94 105.19 99.50 2f57 n GLY 443 Ca 0.09 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 2f57 n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f57 s ASP 444 N -4.00 3.67 0.33 1.61 -1.08 -1.26 -4.56 116.67 111.38 2f57 s ASP 444 Ca 0.00 -1.09 0.26 0.00 -0.52 0.00 0.00 52.55 51.20 2f57 s ASP 444 Cb 0.00 -1.13 1.13 0.00 -1.46 0.00 0.00 42.92 41.46 2f57 s ASP 444 CO 0.00 -0.23 1.77 1.55 0.52 0.00 0.00 175.17 178.79 2f57 h PRO 445 N 7.99 0.00 0.00 4.34 0.13 -1.93 -1.81 132.00 140.72 2f57 h PRO 445 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2f57 h PRO 445 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2f57 h PRO 445 CO 0.41 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.72 2f57 n ARG 446 N -2.41 0.11 -0.10 0.86 1.74 -1.26 -1.09 116.66 114.50 2f57 n ARG 446 Ca 0.01 0.46 -0.06 0.00 -0.77 0.00 0.00 57.85 57.49 2f57 n ARG 446 Cb 0.20 -1.75 0.14 0.00 -1.02 0.00 0.00 32.46 30.03 2f57 n ARG 446 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2f57 h GLU 447 N 0.00 0.78 -0.00 5.56 4.81 -1.77 -3.33 114.58 120.63 2f57 h GLU 447 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2f57 h GLU 447 Cb 0.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2f57 h GLU 447 CO 0.00 0.84 -0.37 0.66 -0.73 0.00 0.00 179.01 179.41 2f57 n TYR 448 N -4.18 0.00 -4.87 0.92 0.53 -0.64 -4.99 117.16 103.93 2f57 n TYR 448 Ca 0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.59 2f57 n TYR 448 Cb 0.35 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.52 2f57 n TYR 448 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 2f57 s LEU 449 N -2.20 2.31 0.23 7.72 1.43 -0.25 -1.33 118.68 126.59 2f57 s LEU 449 Ca 0.05 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2f57 s LEU 449 Cb 0.07 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2f57 s LEU 449 CO 0.34 0.27 0.39 0.00 0.23 0.00 0.00 176.35 177.58 2f57 s ALA 450 N -0.82 0.06 -0.69 4.21 0.00 0.27 -4.58 121.76 120.23 2f57 s ALA 450 Ca 0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2f57 s ALA 450 Cb -0.10 1.11 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 2f57 s ALA 450 CO 0.03 -0.78 0.58 0.27 0.00 0.00 0.00 175.76 175.86 2f57 n ASN 451 N -0.34 -3.16 -4.67 0.00 2.04 -1.26 0.11 115.26 107.97 2f57 n ASN 451 Ca -0.01 -0.40 -0.43 0.00 -0.44 0.00 0.00 54.58 53.30 2f57 n ASN 451 Cb 0.63 -3.31 -0.02 0.00 -2.53 0.00 0.00 39.78 34.54 2f57 n ASN 451 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 2f57 s PHE 452 N -3.22 3.09 -0.12 -2.53 0.08 -1.26 -4.19 117.98 109.82 2f57 s PHE 452 Ca 0.11 1.18 0.02 0.00 0.12 0.00 0.00 56.93 58.36 2f57 s PHE 452 Cb -0.01 -3.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 2f57 s PHE 452 CO 0.44 -1.31 -0.17 0.42 -0.10 0.00 0.00 175.22 174.51 2f57 s ILE 453 N 2.80 1.66 0.21 0.64 1.09 -0.02 -4.96 121.20 122.61 2f57 s ILE 453 Ca 0.54 -0.73 -0.30 0.00 -1.10 0.00 0.00 60.65 59.06 2f57 s ILE 453 Cb -0.22 -1.51 -0.09 0.00 -1.06 0.00 0.00 42.46 39.59 2f57 s ILE 453 CO 0.17 0.47 1.30 -0.54 -0.10 0.00 0.00 174.94 176.25 2f57 s LYS 454 N 1.05 4.39 0.00 2.79 -0.14 -1.26 -0.72 119.74 125.85 2f57 s LYS 454 Ca -0.04 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.62 2f57 s LYS 454 Cb -0.15 -3.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2f57 s LYS 454 CO -0.04 -0.24 0.42 0.44 -0.76 0.00 0.00 175.35 175.17 2f57 n ILE 455 N 2.49 0.17 -3.58 2.17 -5.35 0.75 -4.91 119.36 111.09 2f57 n ILE 455 Ca 0.06 -0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.15 2f57 n ILE 455 Cb 0.43 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 2f57 n ILE 455 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2f57 s GLY 456 N -0.17 -0.30 0.02 3.28 0.00 -1.10 -4.97 107.32 104.09 2f57 s GLY 456 Ca 0.00 1.62 -0.13 0.00 0.00 0.00 0.00 44.72 46.21 2f57 s GLY 456 CO 0.00 0.60 0.28 -0.54 0.00 0.00 0.00 173.10 173.44 2f57 s GLU 457 N -2.30 0.73 0.16 2.90 8.01 -1.26 -1.30 118.70 125.63 2f57 s GLU 457 Ca 0.07 -0.40 0.00 0.00 0.01 0.00 0.00 54.97 54.65 2f57 s GLU 457 Cb -0.01 0.31 0.00 0.00 -4.31 0.00 0.00 34.13 30.13 2f57 s GLU 457 CO -0.05 -0.22 0.00 0.41 0.01 0.00 0.00 175.26 175.41 2f57 n GLY 458 N 0.89 -2.72 0.07 -1.39 0.00 0.37 -4.96 105.19 97.46 2f57 n GLY 458 Ca -0.20 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.58 2f57 n GLY 458 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2f57 n SER 459 N -2.68 0.61 0.12 1.61 7.64 -1.26 -4.50 113.62 115.16 2f57 n SER 459 Ca -0.02 0.15 0.09 0.00 1.01 0.00 0.00 58.87 60.09 2f57 n SER 459 Cb 0.18 0.85 0.02 0.00 -1.01 0.00 0.00 64.21 64.25 2f57 n SER 459 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2f57 h THR 460 N 0.00 0.15 -0.02 0.44 2.02 -1.94 -3.50 112.91 110.06 2f57 h THR 460 Ca 0.00 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2f57 h THR 460 Cb 0.94 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2f57 h THR 460 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 2f57 n GLY 461 N 1.21 1.53 3.06 2.16 0.00 -1.26 -1.23 105.19 110.65 2f57 n GLY 461 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2f57 n GLY 461 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f57 s ILE 462 N -1.12 0.39 -0.10 -0.61 1.10 0.11 0.14 121.20 121.12 2f57 s ILE 462 Ca 0.00 -1.25 0.04 0.00 -0.51 0.00 0.00 60.65 58.93 2f57 s ILE 462 Cb 0.00 -0.78 -0.00 0.00 0.15 0.00 0.00 42.46 41.83 2f57 s ILE 462 CO 0.00 -0.57 -0.24 -0.69 -2.11 0.00 0.00 174.94 171.33 2f57 s VAL 463 N -2.06 2.07 0.14 4.00 1.01 -0.42 -0.12 120.40 125.03 2f57 s VAL 463 Ca -0.06 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2f57 s VAL 463 Cb -0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2f57 s VAL 463 CO -0.02 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.47 2f57 s ILE 465 N -2.06 4.94 0.32 0.00 1.09 0.10 -0.20 121.20 125.40 2f57 s ILE 465 Ca 0.13 0.02 0.05 0.00 -1.10 0.00 0.00 60.65 59.74 2f57 s ILE 465 Cb -0.05 -3.21 -0.06 0.00 -1.06 0.00 0.00 42.46 38.07 2f57 s ILE 465 CO 0.05 0.49 0.03 0.00 -0.10 0.00 0.00 174.94 175.40 2f57 s ALA 466 N 0.08 2.46 -0.14 9.38 0.00 -0.58 -0.84 121.76 132.11 2f57 s ALA 466 Ca 0.06 -2.06 0.01 0.00 0.00 0.00 0.00 51.96 49.98 2f57 s ALA 466 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2f57 s ALA 466 CO 0.00 -0.23 -0.18 0.99 0.00 0.00 0.00 175.76 176.34 2f57 s THR 467 N -3.16 2.41 0.00 0.00 2.01 0.30 -1.69 115.64 115.52 2f57 s THR 467 Ca 0.35 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2f57 s THR 467 Cb 0.08 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.54 2f57 s THR 467 CO 0.15 0.53 1.53 -0.70 -0.69 0.00 0.00 174.62 175.44 2f57 s GLU 468 N 0.74 4.23 0.23 4.92 2.12 0.65 -0.56 118.70 131.02 2f57 s GLU 468 Ca -0.08 2.12 0.01 0.00 0.36 0.00 0.00 54.97 57.38 2f57 s GLU 468 Cb -0.16 -3.69 0.24 0.00 0.26 0.00 0.00 34.13 30.79 2f57 s GLU 468 CO 0.01 -0.69 1.59 0.87 -0.54 0.00 0.00 175.26 176.49 2f57 h LYS 469 N 8.40 0.45 -0.24 4.30 1.57 -1.54 0.56 116.57 130.08 2f57 h LYS 469 Ca -0.39 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.02 2f57 h LYS 469 Cb 1.18 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2f57 h LYS 469 CO 0.93 0.83 -0.37 1.12 -0.57 0.00 0.00 179.45 181.38 2f57 h HIS 470 N 0.36 0.61 0.00 -1.35 -0.00 -1.92 -3.38 115.15 109.48 2f57 h HIS 470 Ca 0.02 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.16 2f57 h HIS 470 Cb 0.96 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 2f57 h HIS 470 CO 0.03 0.82 -1.26 0.25 -0.00 0.00 0.00 177.93 177.76 2f57 n THR 471 N -4.05 0.25 -0.67 6.12 -2.24 -1.20 -5.01 114.28 107.48 2f57 n THR 471 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2f57 n THR 471 Cb 0.49 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 2.72 0.81 3.77 3.38 0.00 0.19 -5.04 105.19 111.03 2f57 n GLY 472 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2f57 n GLY 472 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f57 s LYS 473 N -0.33 4.30 0.07 1.61 2.20 -1.24 -4.64 119.74 121.71 2f57 s LYS 473 Ca 0.00 2.30 -0.26 0.00 -0.36 0.00 0.00 55.97 57.65 2f57 s LYS 473 Cb 0.00 -3.05 -0.06 0.00 -1.51 0.00 0.00 37.83 33.21 2f57 s LYS 473 CO 0.00 -0.27 0.81 -0.65 -0.36 0.00 0.00 175.35 174.88 2f57 s GLN 474 N -1.83 4.54 0.12 4.03 -0.21 -1.26 -0.26 119.66 124.80 2f57 s GLN 474 Ca 0.50 1.15 0.04 0.00 0.02 0.00 0.00 55.36 57.07 2f57 s GLN 474 Cb -0.41 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 2f57 s GLN 474 CO 0.55 0.29 -0.09 0.14 -2.12 0.00 0.00 175.29 174.06 2f57 s VAL 475 N -0.14 1.00 -0.09 1.09 -7.23 -0.68 -4.49 120.40 109.86 2f57 s VAL 475 Ca 0.40 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 2f57 s VAL 475 Cb -0.21 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2f57 s VAL 475 CO 0.25 -0.73 0.15 0.00 -0.31 0.00 0.00 175.10 174.45 2f57 s ALA 476 N -3.18 3.89 -0.16 1.32 0.00 0.25 -1.53 121.76 122.35 2f57 s ALA 476 Ca 0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 2f57 s ALA 476 Cb 0.02 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.24 2f57 s ALA 476 CO -0.01 0.66 -0.08 0.08 0.00 0.00 0.00 175.76 176.41 2f57 s VAL 477 N -1.12 1.27 -0.24 0.00 1.01 0.72 0.67 120.40 122.72 2f57 s VAL 477 Ca 0.19 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2f57 s VAL 477 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2f57 s VAL 477 CO 0.08 0.22 0.55 -0.75 0.00 0.00 0.00 175.10 175.20 2f57 s LYS 478 N 1.58 4.13 -0.28 2.72 2.47 0.20 -0.93 119.74 129.62 2f57 s LYS 478 Ca 0.02 0.43 -0.05 0.00 -1.56 0.00 0.00 55.97 54.80 2f57 s LYS 478 Cb -0.15 -3.62 0.02 0.00 -1.46 0.00 0.00 37.83 32.62 2f57 s LYS 478 CO -0.08 -0.29 0.03 0.15 0.16 0.00 0.00 175.35 175.31 2f57 s LYS 479 N 2.12 2.93 -0.10 4.03 1.02 0.83 -0.42 119.74 130.16 2f57 s LYS 479 Ca 0.24 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 55.32 2f57 s LYS 479 Cb -0.16 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2f57 s LYS 479 CO 0.09 -0.46 -0.21 -1.64 -0.92 0.00 0.00 175.35 172.21 2f57 s MET 480 N 1.42 2.99 -0.26 1.68 -1.94 -0.13 0.05 119.30 123.12 2f57 s MET 480 Ca 0.01 -0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 2f57 s MET 480 Cb -0.17 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 2f57 s MET 480 CO 0.00 0.26 1.38 0.34 -0.01 0.00 0.00 175.02 176.99 2f57 s ASP 481 N 0.17 6.63 0.50 3.03 2.15 -0.37 -0.89 116.67 127.90 2f57 s ASP 481 Ca -0.12 1.39 0.28 0.00 0.43 0.00 0.00 52.55 54.53 2f57 s ASP 481 Cb -0.16 -2.54 1.31 0.00 -0.30 0.00 0.00 42.92 41.23 2f57 s ASP 481 CO 0.07 -1.08 1.99 -0.07 -0.17 0.00 0.00 175.17 175.90 2f57 h LEU 482 N 10.93 0.00 -0.31 -1.34 3.38 -1.30 -2.42 115.31 124.26 2f57 h LEU 482 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2f57 h LEU 482 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2f57 h LEU 482 CO 1.02 0.14 0.00 0.54 0.09 0.00 0.00 178.44 180.22 2f57 n ARG 483 N -3.46 0.19 0.00 1.13 1.74 -1.26 -3.11 116.66 111.89 2f57 n ARG 483 Ca -0.01 0.29 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 2f57 n ARG 483 Cb 0.30 -1.79 0.11 0.00 -1.02 0.00 0.00 32.46 30.07 2f57 n ARG 483 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2f57 n LYS 484 N -2.14 1.90 -2.57 5.56 5.02 -0.91 -4.94 118.16 120.08 2f57 n LYS 484 Ca 0.04 -1.54 -0.43 0.00 -2.02 0.00 0.00 58.31 54.36 2f57 n LYS 484 Cb 0.32 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 2f57 n LYS 484 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2f57 s GLN 485 N -2.16 3.89 0.06 1.97 -1.52 -1.18 -4.89 119.66 115.83 2f57 s GLN 485 Ca 0.26 0.91 0.23 0.00 -1.95 0.00 0.00 55.36 54.81 2f57 s GLN 485 Cb 0.19 -3.84 0.12 0.00 -0.22 0.00 0.00 33.01 29.26 2f57 s GLN 485 CO 0.39 -1.15 1.09 1.04 -0.25 0.00 0.00 175.29 176.41 2f57 n GLN 486 N 7.37 0.28 -3.10 2.91 6.02 -1.26 -4.33 117.38 125.26 2f57 n GLN 486 Ca 0.13 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.84 2f57 n GLN 486 Cb 0.48 -1.61 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 2f57 n GLN 486 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2f57 n ARG 487 N -1.97 3.23 -0.23 -1.09 3.00 -1.26 -4.91 116.66 113.42 2f57 n ARG 487 Ca 0.02 -4.76 -0.01 0.00 -0.01 0.00 0.00 57.85 53.09 2f57 n ARG 487 Cb 0.43 -2.28 0.10 0.00 0.00 0.00 0.00 32.46 30.71 2f57 n ARG 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f57 h ARG 488 N 3.68 0.65 -0.15 5.56 3.08 -1.94 -2.07 114.38 123.19 2f57 h ARG 488 Ca 0.19 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 2f57 h ARG 488 Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2f57 h ARG 488 CO 0.89 0.43 -0.70 1.49 -1.07 0.00 0.00 179.97 181.01 2f57 h GLU 489 N 0.67 0.63 -0.66 0.04 4.81 -1.92 -1.16 114.58 116.99 2f57 h GLU 489 Ca 0.31 -0.48 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 2f57 h GLU 489 Cb 0.21 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2f57 h GLU 489 CO -0.19 1.10 0.23 -0.07 -0.73 0.00 0.00 179.01 179.35 2f57 h LEU 490 N 0.44 0.92 -0.20 1.64 3.38 -1.83 0.16 115.31 119.82 2f57 h LEU 490 Ca -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2f57 h LEU 490 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2f57 h LEU 490 CO 0.14 0.84 0.06 0.25 0.09 0.00 0.00 178.44 179.82 2f57 h LEU 491 N 0.97 0.30 -0.15 1.67 5.85 -1.17 -0.10 115.31 122.68 2f57 h LEU 491 Ca 0.22 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2f57 h LEU 491 Cb 0.23 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2f57 h LEU 491 CO -0.01 0.43 -0.08 0.15 -0.34 0.00 0.00 178.44 178.59 2f57 h PHE 492 N 0.15 -0.18 -0.81 1.25 3.57 -0.94 -0.77 116.94 119.21 2f57 h PHE 492 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2f57 h PHE 492 Cb 0.24 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2f57 h PHE 492 CO 0.00 -0.12 0.48 -0.91 -2.23 0.00 0.00 178.31 175.53 2f57 h ASN 493 N -0.07 0.97 -0.54 0.41 2.35 -0.90 -2.61 115.58 115.20 2f57 h ASN 493 Ca 0.08 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2f57 h ASN 493 Cb 0.19 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2f57 h ASN 493 CO -0.19 0.76 0.34 -0.08 -1.65 0.00 0.00 177.43 176.61 2f57 h GLU 494 N 1.11 0.72 -0.74 0.81 4.81 -0.66 -2.77 114.58 117.87 2f57 h GLU 494 Ca 0.29 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2f57 h GLU 494 Cb -0.03 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 2f57 h GLU 494 CO -0.05 0.51 0.45 0.28 -0.73 0.00 0.00 179.01 179.47 2f57 h VAL 495 N 0.73 1.21 -0.34 0.32 2.07 -0.78 -1.19 116.25 118.27 2f57 h VAL 495 Ca 0.19 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2f57 h VAL 495 Cb -0.04 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2f57 h VAL 495 CO -0.04 0.21 0.21 0.58 0.02 0.00 0.00 177.57 178.55 2f57 h VAL 496 N 1.01 1.05 -0.09 2.57 2.07 -1.43 -1.51 116.25 119.92 2f57 h VAL 496 Ca 0.26 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2f57 h VAL 496 Cb -0.04 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2f57 h VAL 496 CO -0.05 0.08 0.05 0.40 0.02 0.00 0.00 177.57 178.07 2f57 h ILE 497 N 0.42 1.06 -0.07 4.57 1.08 -1.14 -1.32 117.51 122.11 2f57 h ILE 497 Ca 0.13 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2f57 h ILE 497 Cb -0.02 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2f57 h ILE 497 CO -0.05 0.05 0.00 0.24 -0.69 0.00 0.00 178.15 177.71 2f57 h MET 498 N 0.08 0.09 -0.25 2.37 2.86 -1.20 -1.53 114.93 117.35 2f57 h MET 498 Ca 0.03 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 2f57 h MET 498 Cb 0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2f57 h MET 498 CO -0.01 0.10 -0.32 -0.09 1.06 0.00 0.00 176.91 177.65 2f57 h ARG 499 N 0.10 0.67 0.00 1.72 2.43 -0.65 -3.39 114.38 115.25 2f57 h ARG 499 Ca 0.02 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 2f57 h ARG 499 Cb 0.06 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2f57 h ARG 499 CO 0.00 0.99 -1.70 -0.25 -1.51 0.00 0.00 179.97 177.50 2f57 n ASP 500 N -4.26 0.34 -4.27 -3.80 8.00 -0.56 -4.92 116.55 107.08 2f57 n ASP 500 Ca -0.05 0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 2f57 n ASP 500 Cb 0.49 1.24 -0.16 0.00 -0.02 0.00 0.00 41.12 42.67 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 -3.29 2.46 -0.05 1.24 2.02 -0.61 -5.10 117.35 114.02 2f57 s TYR 501 Ca -0.06 -0.73 -0.03 0.00 -0.37 0.00 0.00 57.07 55.88 2f57 s TYR 501 Cb 0.11 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 40.09 2f57 s TYR 501 CO 0.86 -0.22 0.11 -1.01 -1.57 0.00 0.00 175.55 173.72 2f57 s HIS 502 N -0.14 -0.12 -0.12 2.71 3.76 -1.26 -4.72 115.29 115.41 2f57 s HIS 502 Ca -0.04 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.92 2f57 s HIS 502 Cb -0.14 -0.04 0.08 0.00 1.11 0.00 0.00 32.58 33.58 2f57 s HIS 502 CO 0.04 -0.11 0.73 -1.58 -0.85 0.00 0.00 174.74 172.97 2f57 s HIS 503 N 0.64 -0.66 0.42 1.40 5.04 -1.26 -5.05 115.29 115.82 2f57 s HIS 503 Ca -0.05 1.28 0.40 0.00 -1.54 0.00 0.00 55.06 55.15 2f57 s HIS 503 Cb -0.07 0.38 1.98 0.00 0.04 0.00 0.00 32.58 34.91 2f57 s HIS 503 CO -0.03 -0.52 2.20 -0.44 -2.34 0.00 0.00 174.74 173.61 2f57 h ASP 504 N 3.47 0.00 -0.45 9.88 3.32 -1.99 -1.41 116.42 129.24 2f57 h ASP 504 Ca -0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 2f57 h ASP 504 Cb 1.15 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 2f57 h ASP 504 CO 0.30 0.00 0.07 0.59 -1.72 0.00 0.00 179.24 178.48 2f57 n ASN 505 N -3.08 4.02 -4.04 6.45 4.13 -1.26 -4.87 115.26 116.62 2f57 n ASN 505 Ca -0.01 -3.23 -0.24 0.00 1.68 0.00 0.00 54.58 52.78 2f57 n ASN 505 Cb 0.17 -0.63 -0.16 0.00 -1.54 0.00 0.00 39.78 37.61 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 -2.96 1.14 0.12 2.41 1.01 -0.53 -0.18 120.40 121.40 2f57 s VAL 506 Ca 0.47 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 2f57 s VAL 506 Cb 0.39 -1.03 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 2f57 s VAL 506 CO 0.09 0.35 1.74 -0.69 0.00 0.00 0.00 175.10 176.59 2f57 s VAL 507 N 0.54 2.64 -0.04 2.92 1.01 -0.20 -4.57 120.40 122.69 2f57 s VAL 507 Ca -0.12 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2f57 s VAL 507 Cb -0.15 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2f57 s VAL 507 CO 0.03 0.00 0.60 -0.62 0.00 0.00 0.00 175.10 175.12 2f57 s ASP 508 N 2.29 6.94 -0.31 3.32 2.15 -1.26 -4.95 116.67 124.84 2f57 s ASP 508 Ca 0.77 1.12 -0.18 0.00 0.43 0.00 0.00 52.55 54.69 2f57 s ASP 508 Cb -0.44 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 39.80 2f57 s ASP 508 CO 0.34 0.03 0.53 -0.32 -0.17 0.00 0.00 175.17 175.58 2f57 s MET 509 N 0.16 3.83 -0.02 4.34 -2.45 -1.26 -1.33 119.30 122.56 2f57 s MET 509 Ca 0.32 0.07 -0.24 0.00 -1.25 0.00 0.00 55.69 54.59 2f57 s MET 509 Cb -0.18 -3.74 -0.20 0.00 1.25 0.00 0.00 34.83 31.96 2f57 s MET 509 CO 0.16 -0.52 1.17 1.88 1.05 0.00 0.00 175.02 178.76 2f57 h TYR 510 N 8.27 0.19 -2.23 4.11 0.05 -0.99 -3.46 116.97 122.91 2f57 h TYR 510 Ca -0.28 -0.08 0.10 0.00 0.05 0.00 0.00 58.73 58.53 2f57 h TYR 510 Cb 1.13 -0.03 -0.16 0.00 1.01 0.00 0.00 36.73 38.68 2f57 h TYR 510 CO 0.74 0.73 0.49 -1.54 -1.05 0.00 0.00 178.16 177.54 2f57 s SER 511 N -6.04 -0.37 0.14 3.88 1.04 -1.13 -5.04 113.70 106.18 2f57 s SER 511 Ca -0.16 0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.38 2f57 s SER 511 Cb 0.02 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2f57 s SER 511 CO 0.72 -0.60 -0.16 -0.44 0.98 0.00 0.00 173.24 173.73 2f57 s SER 512 N -2.36 2.29 0.12 7.02 0.01 -1.26 -0.40 113.70 119.12 2f57 s SER 512 Ca 0.04 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 2f57 s SER 512 Cb -0.01 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2f57 s SER 512 CO -0.08 -0.09 0.27 -0.31 0.41 0.00 0.00 173.24 173.44 2f57 s TYR 513 N -2.02 0.14 -0.18 2.43 2.02 -0.13 -0.40 117.35 119.21 2f57 s TYR 513 Ca 0.11 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2f57 s TYR 513 Cb -0.06 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.50 2f57 s TYR 513 CO 0.04 -0.64 -0.03 -0.51 -1.57 0.00 0.00 175.55 172.84 2f57 s LEU 514 N -2.88 3.15 -0.29 -1.29 1.43 -1.26 -0.56 118.68 116.99 2f57 s LEU 514 Ca 0.08 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2f57 s LEU 514 Cb 0.04 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.56 2f57 s LEU 514 CO -0.08 0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 175.90 2f57 s VAL 515 N 0.76 1.88 0.00 -1.59 1.01 -0.21 -4.86 120.40 117.39 2f57 s VAL 515 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2f57 s VAL 515 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 2f57 s VAL 515 CO 0.02 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2f57 n GLY 516 N 4.48 3.59 1.21 4.51 0.00 -1.26 -1.40 105.19 116.33 2f57 n GLY 516 Ca -0.06 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2f57 n GLY 516 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f57 n ASP 517 N 4.84 3.45 -4.56 1.61 8.00 -1.26 -4.88 116.55 123.74 2f57 n ASP 517 Ca 0.00 -2.46 -0.33 0.00 0.71 0.00 0.00 54.79 52.71 2f57 n ASP 517 Cb 0.00 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.41 2f57 n ASP 517 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2f57 s GLU 518 N -1.91 2.61 -0.24 -1.24 2.02 -0.49 -0.83 118.70 118.61 2f57 s GLU 518 Ca 0.29 -0.65 -0.16 0.00 0.02 0.00 0.00 54.97 54.47 2f57 s GLU 518 Cb 0.22 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2f57 s GLU 518 CO 0.09 0.63 0.44 -1.17 0.02 0.00 0.00 175.26 175.27 2f57 s LEU 519 N -1.00 4.08 -0.25 1.80 2.96 -0.07 -1.04 118.68 125.16 2f57 s LEU 519 Ca 0.14 0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2f57 s LEU 519 Cb -0.11 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 2f57 s LEU 519 CO 0.03 -0.19 0.09 0.26 -1.32 0.00 0.00 176.35 175.22 2f57 s TRP 520 N 1.93 3.12 -0.26 5.38 0.52 0.28 -0.96 118.94 128.95 2f57 s TRP 520 Ca 0.19 -0.29 -0.04 0.00 0.02 0.00 0.00 56.10 55.98 2f57 s TRP 520 Cb -0.15 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.94 2f57 s TRP 520 CO 0.09 -0.28 -0.02 0.08 0.02 0.00 0.00 176.95 176.85 2f57 s VAL 521 N 1.51 3.29 -0.36 4.03 1.01 0.44 -0.95 120.40 129.37 2f57 s VAL 521 Ca 0.06 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 2f57 s VAL 521 Cb -0.15 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2f57 s VAL 521 CO 0.05 0.20 0.43 -0.69 0.00 0.00 0.00 175.10 175.08 2f57 s VAL 522 N 1.41 5.10 0.27 2.92 1.01 0.47 -0.62 120.40 130.96 2f57 s VAL 522 Ca 0.02 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2f57 s VAL 522 Cb -0.16 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2f57 s VAL 522 CO -0.02 -0.18 -0.12 -0.04 0.00 0.00 0.00 175.10 174.73 2f57 s MET 523 N 2.17 1.58 0.36 2.72 -1.94 0.21 -0.29 119.30 124.11 2f57 s MET 523 Ca 0.14 -1.76 -0.27 0.00 -1.71 0.00 0.00 55.69 52.08 2f57 s MET 523 Cb -0.16 -1.42 -0.10 0.00 2.01 0.00 0.00 34.83 35.16 2f57 s MET 523 CO 0.13 0.17 1.29 -1.83 -0.01 0.00 0.00 175.02 174.77 2f57 s GLU 524 N -3.63 4.19 -0.41 2.03 -1.05 -0.44 -0.58 118.70 118.81 2f57 s GLU 524 Ca 0.28 2.15 -0.20 0.00 -0.15 0.00 0.00 54.97 57.06 2f57 s GLU 524 Cb 0.00 -2.92 0.02 0.00 -0.44 0.00 0.00 34.13 30.78 2f57 s GLU 524 CO 0.12 -0.30 0.61 0.12 0.95 0.00 0.00 175.26 176.76 2f57 s PHE 525 N -1.21 3.10 -0.17 4.83 5.36 -1.26 -4.52 117.98 124.11 2f57 s PHE 525 Ca 0.52 0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.46 2f57 s PHE 525 Cb -0.38 -3.23 -0.03 0.00 -0.34 0.00 0.00 43.02 39.04 2f57 s PHE 525 CO 0.50 -0.78 -0.00 -0.51 -1.46 0.00 0.00 175.22 172.97 2f57 s LEU 526 N 2.70 3.43 0.00 6.12 1.02 -1.26 -4.98 118.68 125.71 2f57 s LEU 526 Ca 0.22 -0.07 0.11 0.00 0.02 0.00 0.00 54.13 54.41 2f57 s LEU 526 Cb -0.15 -1.85 0.26 0.00 0.02 0.00 0.00 46.19 44.48 2f57 s LEU 526 CO 0.17 0.16 1.17 -0.62 0.02 0.00 0.00 176.35 177.25 2f57 n GLU 527 N 3.62 2.35 -0.15 1.70 1.02 -1.24 -4.60 120.64 123.33 2f57 n GLU 527 Ca -0.17 -1.87 0.11 0.00 -0.02 0.00 0.00 57.16 55.21 2f57 n GLU 527 Cb 0.52 -1.26 0.27 0.00 -0.02 0.00 0.00 31.44 30.95 2f57 n GLU 527 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f57 n GLY 528 N 0.57 1.19 7.00 0.62 0.00 0.34 -4.73 105.19 110.19 2f57 n GLY 528 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.36 -1.66 3.84 -0.02 0.00 -1.25 -4.55 105.19 102.91 2f57 n GLY 529 Ca 0.18 -1.30 -0.22 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 -1.23 3.62 0.39 4.61 0.00 -1.26 -1.29 121.76 126.60 2f57 s ALA 530 Ca 0.00 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.75 2f57 s ALA 530 Cb 0.00 -1.35 0.97 0.00 0.00 0.00 0.00 23.12 22.74 2f57 s ALA 530 CO 0.00 0.28 1.93 1.25 0.00 0.00 0.00 175.76 179.22 2f57 h LEU 531 N 1.56 0.00 -0.84 0.00 5.85 -0.77 -2.96 115.31 118.15 2f57 h LEU 531 Ca -0.49 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.39 2f57 h LEU 531 Cb 1.23 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 2f57 h LEU 531 CO 0.61 0.25 0.42 0.74 -0.34 0.00 0.00 178.44 180.13 2f57 h THR 532 N 0.00 0.70 -0.53 1.05 2.02 -1.81 -1.02 112.91 113.31 2f57 h THR 532 Ca -0.00 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2f57 h THR 532 Cb 0.49 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2f57 h THR 532 CO 0.03 0.11 0.32 -0.78 0.37 0.00 0.00 175.52 175.57 2f57 h ASP 533 N 0.59 0.63 0.07 4.18 3.58 -1.88 -2.20 116.42 121.39 2f57 h ASP 533 Ca 0.47 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.89 2f57 h ASP 533 Cb 0.69 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2f57 h ASP 533 CO -0.38 0.48 -0.04 0.40 -2.88 0.00 0.00 179.24 176.82 2f57 h ILE 534 N 0.73 1.21 0.00 2.25 2.04 -1.36 -3.10 117.51 119.28 2f57 h ILE 534 Ca 0.19 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 2f57 h ILE 534 Cb -0.03 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2f57 h ILE 534 CO -0.04 0.30 -0.01 -0.37 0.00 0.00 0.00 178.15 178.03 2f57 h VAL 535 N -0.70 0.03 0.00 1.67 -1.51 -1.11 0.16 116.25 114.79 2f57 h VAL 535 Ca -0.01 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2f57 h VAL 535 Cb 0.57 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2f57 h VAL 535 CO 0.02 0.01 -0.58 0.35 -1.23 0.00 0.00 177.57 176.14 2f57 n THR 536 N -3.11 0.19 0.00 7.19 -2.24 -0.85 -4.42 114.28 111.04 2f57 n THR 536 Ca 0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2f57 n THR 536 Cb 0.33 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2f57 n THR 536 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2f57 n HIS 537 N -1.83 0.00 -4.37 4.78 8.25 -0.84 -5.09 115.22 116.11 2f57 n HIS 537 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 2f57 n HIS 537 Cb 0.39 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 2f57 n HIS 537 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2f57 s THR 538 N -1.15 0.92 -0.36 1.59 2.01 0.51 -5.08 115.64 114.09 2f57 s THR 538 Ca 0.00 -2.01 -0.03 0.00 0.31 0.00 0.00 61.69 59.96 2f57 s THR 538 Cb 0.00 -2.64 0.08 0.00 0.01 0.00 0.00 72.50 69.95 2f57 s THR 538 CO 0.00 -0.07 0.13 -0.60 -0.69 0.00 0.00 174.62 173.38 2f57 s ARG 539 N -3.94 2.26 0.39 4.92 6.06 -1.26 -4.58 118.95 122.79 2f57 s ARG 539 Ca 0.35 -1.53 -0.25 0.00 -2.50 0.00 0.00 55.73 51.80 2f57 s ARG 539 Cb 0.08 -3.45 -0.09 0.00 0.06 0.00 0.00 34.95 31.56 2f57 s ARG 539 CO 0.13 -0.86 1.10 -1.64 -2.50 0.00 0.00 175.30 171.53 2f57 s MET 540 N 1.23 4.15 0.65 5.12 -1.94 -1.26 -5.05 119.30 122.19 2f57 s MET 540 Ca 0.02 1.68 -0.03 0.00 -1.71 0.00 0.00 55.69 55.65 2f57 s MET 540 Cb -0.21 -2.65 0.06 0.00 2.01 0.00 0.00 34.83 34.03 2f57 s MET 540 CO -0.02 -0.19 0.92 0.54 -0.01 0.00 0.00 175.02 176.26 2f57 s ASN 541 N -1.32 4.94 0.33 3.03 2.20 -1.26 -4.89 114.94 117.97 2f57 s ASN 541 Ca 0.56 0.22 0.09 0.00 -0.94 0.00 0.00 52.86 52.79 2f57 s ASN 541 Cb -0.27 -0.93 0.59 0.00 -2.00 0.00 0.00 41.25 38.64 2f57 s ASN 541 CO 0.33 -1.45 1.78 -0.33 -2.94 0.00 0.00 177.10 174.49 2f57 h GLU 542 N -0.35 0.19 -0.46 3.55 5.08 -1.98 -0.51 114.58 120.11 2f57 h GLU 542 Ca -0.43 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2f57 h GLU 542 Cb 1.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2f57 h GLU 542 CO 0.55 0.50 0.23 1.49 -1.00 0.00 0.00 179.01 180.79 2f57 h GLU 543 N 0.16 0.44 -0.31 2.33 4.81 -1.95 0.49 114.58 120.55 2f57 h GLU 543 Ca 0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2f57 h GLU 543 Cb 0.67 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2f57 h GLU 543 CO 0.05 0.29 -0.11 1.96 -0.73 0.00 0.00 179.01 180.47 2f57 h GLN 544 N 0.45 0.62 -0.50 1.92 4.20 -1.74 -1.45 115.11 118.60 2f57 h GLN 544 Ca 0.20 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2f57 h GLN 544 Cb 0.11 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2f57 h GLN 544 CO -0.14 0.82 0.26 0.82 -0.67 0.00 0.00 178.83 179.93 2f57 h ILE 545 N 0.38 0.98 -0.57 2.54 2.04 -0.95 -1.88 117.51 120.06 2f57 h ILE 545 Ca 0.07 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2f57 h ILE 545 Cb 0.62 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2f57 h ILE 545 CO 0.04 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.56 2f57 h ALA 546 N 1.26 1.43 -0.23 1.87 0.00 -0.75 -0.56 119.26 122.28 2f57 h ALA 546 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2f57 h ALA 546 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2f57 h ALA 546 CO -0.14 0.45 0.06 1.15 0.00 0.00 0.00 179.25 180.77 2f57 h THR 547 N 0.79 1.21 0.11 0.00 2.02 -0.79 0.74 112.91 116.99 2f57 h THR 547 Ca 0.20 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2f57 h THR 547 Cb 0.07 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2f57 h THR 547 CO -0.03 0.21 -0.10 0.58 0.37 0.00 0.00 175.52 176.55 2f57 h VAL 548 N 0.19 0.77 -0.88 3.16 2.07 -1.05 -2.32 116.25 118.19 2f57 h VAL 548 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2f57 h VAL 548 Cb 0.27 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2f57 h VAL 548 CO 0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 2f57 h LEU 550 N 1.11 0.52 -0.31 0.00 5.85 -0.74 0.82 115.31 122.56 2f57 h LEU 550 Ca 0.35 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2f57 h LEU 550 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2f57 h LEU 550 CO -0.12 0.52 0.17 0.28 -0.34 0.00 0.00 178.44 178.95 2f57 h SER 551 N 0.49 0.38 -0.39 1.25 0.02 -1.07 -0.62 113.55 113.62 2f57 h SER 551 Ca 0.13 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2f57 h SER 551 Cb 0.14 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2f57 h SER 551 CO -0.02 0.35 -0.17 0.58 -1.14 0.00 0.00 176.83 176.44 2f57 h VAL 552 N 0.38 1.28 -0.21 2.27 2.07 -1.04 -2.64 116.25 118.36 2f57 h VAL 552 Ca 0.11 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2f57 h VAL 552 Cb 0.05 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2f57 h VAL 552 CO -0.02 0.43 -0.11 -0.07 0.02 0.00 0.00 177.57 177.82 2f57 h LEU 553 N 0.61 0.32 -0.33 2.57 3.38 -0.69 0.74 115.31 121.90 2f57 h LEU 553 Ca 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2f57 h LEU 553 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2f57 h LEU 553 CO 0.05 0.47 0.10 0.03 0.09 0.00 0.00 178.44 179.18 2f57 h ARG 554 N 0.32 0.51 -0.18 1.13 3.08 -1.00 0.12 114.38 118.36 2f57 h ARG 554 Ca 0.06 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2f57 h ARG 554 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2f57 h ARG 554 CO 0.02 0.55 0.03 0.00 -1.07 0.00 0.00 179.97 179.51 2f57 h ALA 555 N 0.94 0.18 -0.73 0.04 0.00 -1.04 -2.54 119.26 116.11 2f57 h ALA 555 Ca 0.11 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2f57 h ALA 555 Cb 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2f57 h ALA 555 CO -0.00 -0.40 0.20 -0.07 0.00 0.00 0.00 179.25 178.97 2f57 h LEU 556 N 0.10 1.08 -0.53 0.00 3.38 -0.75 -0.65 115.31 117.94 2f57 h LEU 556 Ca 0.08 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.94 2f57 h LEU 556 Cb 0.08 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.44 2f57 h LEU 556 CO -0.11 1.02 -0.19 -1.28 0.09 0.00 0.00 178.44 177.97 2f57 h SER 557 N 1.09 -0.67 0.05 -0.43 0.87 -0.58 0.46 113.55 114.35 2f57 h SER 557 Ca 0.23 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2f57 h SER 557 Cb 0.35 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2f57 h SER 557 CO -0.00 -0.22 -0.02 0.22 -0.53 0.00 0.00 176.83 176.27 2f57 h TYR 558 N -0.06 -0.06 -0.18 2.24 3.20 -1.14 -2.76 116.97 118.21 2f57 h TYR 558 Ca 0.25 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2f57 h TYR 558 Cb 0.45 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2f57 h TYR 558 CO -0.49 0.23 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.17 2f57 h LEU 559 N -0.36 0.34 -1.33 2.82 3.38 -0.79 -2.87 115.31 116.50 2f57 h LEU 559 Ca -0.01 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2f57 h LEU 559 Cb 0.32 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2f57 h LEU 559 CO 0.01 0.60 0.33 0.45 0.09 0.00 0.00 178.44 179.92 2f57 h HIS 560 N 0.07 0.76 0.00 1.13 3.86 -0.15 -0.47 115.15 120.35 2f57 h HIS 560 Ca 0.05 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2f57 h HIS 560 Cb 0.44 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2f57 h HIS 560 CO 0.04 0.52 -0.09 -0.97 0.86 0.00 0.00 177.93 178.30 2f57 h ASN 561 N 0.80 0.00 -0.15 2.45 -1.24 -1.29 -1.55 115.58 114.60 2f57 h ASN 561 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2f57 h ASN 561 Cb -0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2f57 h ASN 561 CO -0.04 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.19 2f57 n GLN 562 N -3.39 2.03 -1.00 6.67 1.13 -0.36 -4.95 117.38 117.51 2f57 n GLN 562 Ca -0.01 -1.53 -0.00 0.00 -1.94 0.00 0.00 57.00 53.52 2f57 n GLN 562 Cb 0.26 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.28 0.47 3.71 1.08 0.00 -0.58 -4.85 105.19 106.30 2f57 n GLY 563 Ca 0.17 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 5.10 -0.17 1.61 1.01 -0.33 -0.08 120.40 125.55 2f57 s VAL 564 Ca 0.00 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.14 2f57 s VAL 564 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2f57 s VAL 564 CO 0.00 0.26 -0.07 -0.63 0.00 0.00 0.00 175.10 174.66 2f57 s ILE 565 N 0.95 3.49 0.03 2.22 1.01 0.62 -3.70 121.20 125.82 2f57 s ILE 565 Ca 0.31 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2f57 s ILE 565 Cb -0.16 -2.53 -0.18 0.00 0.01 0.00 0.00 42.46 39.60 2f57 s ILE 565 CO 0.13 0.48 1.23 -0.74 0.00 0.00 0.00 174.94 176.04 2f57 h HIS 566 N 7.15 0.55 0.00 3.97 -0.00 -1.91 0.04 115.15 124.95 2f57 h HIS 566 Ca -0.33 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 2f57 h HIS 566 Cb 1.19 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2f57 h HIS 566 CO 0.54 0.96 0.00 0.54 -0.00 0.00 0.00 177.93 179.97 2f57 n ARG 567 N -4.37 0.00 -2.39 5.26 1.74 -1.26 -3.25 116.66 112.39 2f57 n ARG 567 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2f57 n ARG 567 Cb 0.51 -3.31 0.05 0.00 -1.02 0.00 0.00 32.46 28.69 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 0.00 0.81 -4.71 0.55 2.03 -1.26 -4.43 116.55 109.55 2f57 n ASP 568 Ca 0.00 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 2f57 n ASP 568 Cb 0.00 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 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 -2.09 3.22 -0.06 5.18 1.01 -1.26 -4.81 121.20 122.38 2f57 s ILE 569 Ca 0.24 0.83 -0.31 0.00 0.00 0.00 0.00 60.65 61.41 2f57 s ILE 569 Cb 0.34 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 39.39 2f57 s ILE 569 CO -0.08 0.05 1.08 -1.59 0.00 0.00 0.00 174.94 174.39 2f57 s LYS 570 N 1.44 0.60 0.47 2.79 -2.85 -1.26 -4.73 119.74 116.21 2f57 s LYS 570 Ca 0.66 -0.26 0.16 0.00 -1.00 0.00 0.00 55.97 55.54 2f57 s LYS 570 Cb -0.38 0.26 1.14 0.00 -2.06 0.00 0.00 37.83 36.79 2f57 s LYS 570 CO 0.30 -0.27 2.01 0.66 0.10 0.00 0.00 175.35 178.16 2f57 h SER 571 N 2.00 0.23 0.11 0.03 4.64 -1.93 -1.61 113.55 117.02 2f57 h SER 571 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2f57 h SER 571 Cb 1.21 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2f57 h SER 571 CO 0.27 0.14 -0.05 0.44 -0.87 0.00 0.00 176.83 176.76 2f57 h ASP 572 N 0.26 0.00 -0.17 4.97 3.32 -1.95 -2.23 116.42 120.62 2f57 h ASP 572 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2f57 h ASP 572 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2f57 h ASP 572 CO -0.04 0.05 0.00 -1.20 -1.72 0.00 0.00 179.24 176.33 2f57 n SER 573 N -3.97 2.89 -4.45 6.45 7.64 -0.61 -4.83 113.62 116.74 2f57 n SER 573 Ca -0.03 -1.92 -0.38 0.00 1.01 0.00 0.00 58.87 57.56 2f57 n SER 573 Cb 0.14 -0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.80 4.54 0.23 0.44 -1.09 -0.85 -0.23 121.20 122.44 2f57 s ILE 574 Ca 0.33 -0.26 0.08 0.00 -2.23 0.00 0.00 60.65 58.57 2f57 s ILE 574 Cb 0.21 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 2f57 s ILE 574 CO 0.31 0.20 0.04 -0.76 -1.23 0.00 0.00 174.94 173.49 2f57 s LEU 575 N 1.63 3.35 0.02 2.97 1.43 -0.14 -0.62 118.68 127.31 2f57 s LEU 575 Ca 0.05 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2f57 s LEU 575 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2f57 s LEU 575 CO 0.06 0.02 -0.23 -0.76 0.23 0.00 0.00 176.35 175.67 2f57 s LEU 576 N -3.47 2.11 0.73 1.79 1.02 -0.41 -0.86 118.68 119.60 2f57 s LEU 576 Ca 0.30 -0.48 -0.11 0.00 0.02 0.00 0.00 54.13 53.86 2f57 s LEU 576 Cb -0.08 -1.11 0.03 0.00 0.02 0.00 0.00 46.19 45.05 2f57 s LEU 576 CO 0.20 0.23 1.10 0.42 0.02 0.00 0.00 176.35 178.32 2f57 s THR 577 N -0.68 3.32 0.51 5.49 -4.23 -0.43 -0.50 115.64 119.12 2f57 s THR 577 Ca 0.09 0.43 0.18 0.00 -1.18 0.00 0.00 61.69 61.20 2f57 s THR 577 Cb -0.09 -3.36 0.30 0.00 1.34 0.00 0.00 72.50 70.70 2f57 s THR 577 CO 0.01 -0.56 2.10 0.77 -0.54 0.00 0.00 174.62 176.40 2f57 h SER 578 N -0.78 0.04 -0.54 3.99 4.64 -1.91 -2.13 113.55 116.86 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 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2f57 h SER 578 CO 0.63 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 2f57 n ASP 579 N -4.49 3.06 0.00 4.97 5.75 -1.26 -4.94 116.55 119.63 2f57 n ASP 579 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2f57 n ASP 579 Cb 0.23 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.42 0.90 3.85 6.12 0.00 -0.80 -4.11 105.19 112.56 2f57 n GLY 580 Ca 0.19 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.53 3.98 -0.13 1.61 0.52 -1.26 -4.62 118.95 118.52 2f57 s ARG 581 Ca 0.00 0.85 0.03 0.00 -0.52 0.00 0.00 55.73 56.08 2f57 s ARG 581 Cb 0.00 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2f57 s ARG 581 CO 0.00 -0.12 -0.21 0.42 0.02 0.00 0.00 175.30 175.41 2f57 s ILE 582 N -2.40 2.20 -0.02 1.52 -1.09 -1.26 -1.31 121.20 118.84 2f57 s ILE 582 Ca 0.57 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2f57 s ILE 582 Cb -0.10 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2f57 s ILE 582 CO 0.26 0.55 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.94 2f57 s LYS 583 N 0.62 0.44 0.08 2.79 1.02 -0.04 -4.62 119.74 120.02 2f57 s LYS 583 Ca -0.11 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 2f57 s LYS 583 Cb -0.16 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 2f57 s LYS 583 CO 0.03 0.01 0.97 -1.17 -0.92 0.00 0.00 175.35 174.27 2f57 s LEU 584 N 0.33 4.46 0.00 3.17 2.96 0.75 -0.97 118.68 129.38 2f57 s LEU 584 Ca -0.03 1.75 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 2f57 s LEU 584 Cb -0.07 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2f57 s LEU 584 CO -0.00 -0.13 0.16 -1.54 -1.32 0.00 0.00 176.35 173.52 2f57 n SER 585 N 3.14 0.89 -3.01 3.68 3.41 0.68 -1.04 113.62 121.37 2f57 n SER 585 Ca 0.03 -3.07 -0.14 0.00 -0.26 0.00 0.00 58.87 55.44 2f57 n SER 585 Cb 0.50 1.09 0.02 0.00 -0.26 0.00 0.00 64.21 65.55 2f57 n SER 585 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2f57 n ASP 586 N -1.59 -7.33 -1.68 4.04 4.64 -1.26 -4.83 116.55 108.53 2f57 n ASP 586 Ca -0.03 0.47 -0.06 0.00 -1.38 0.00 0.00 54.79 53.78 2f57 n ASP 586 Cb 0.58 -4.35 0.20 0.00 -1.04 0.00 0.00 41.12 36.52 2f57 n ASP 586 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2f57 n PHE 587 N -0.09 1.83 0.30 -0.67 3.72 -1.26 -4.55 117.46 116.74 2f57 n PHE 587 Ca 0.05 -1.00 0.15 0.00 -0.05 0.00 0.00 57.45 56.61 2f57 n PHE 587 Cb 0.46 -0.58 0.92 0.00 -0.94 0.00 0.00 39.48 39.35 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 3.05 0.00 -1.80 1.37 0.00 -1.91 -2.00 103.07 101.79 2f57 h GLY 588 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2f57 h GLY 588 CO 0.57 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.80 2f57 n PHE 589 N -3.83 0.71 -1.43 5.60 3.72 -1.26 -4.71 117.46 116.26 2f57 n PHE 589 Ca -0.03 -0.53 -0.30 0.00 -0.05 0.00 0.00 57.45 56.54 2f57 n PHE 589 Cb 0.08 -0.06 0.11 0.00 -0.94 0.00 0.00 39.48 38.68 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 -3.07 0.35 -0.16 0.00 0.00 -0.00 -4.88 121.76 113.99 2f57 s ALA 591 Ca 0.62 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2f57 s ALA 591 Cb -0.16 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2f57 s ALA 591 CO 0.55 -0.33 -0.20 -1.14 0.00 0.00 0.00 175.76 174.63 2f57 s GLN 592 N -3.33 2.97 0.30 0.00 2.00 -1.26 -0.27 119.66 120.06 2f57 s GLN 592 Ca 0.01 -0.83 0.07 0.00 -2.00 0.00 0.00 55.36 52.61 2f57 s GLN 592 Cb 0.04 -2.49 -0.02 0.00 0.80 0.00 0.00 33.01 31.33 2f57 s GLN 592 CO -0.08 -0.14 0.34 0.14 -0.50 0.00 0.00 175.29 175.05 2f57 s VAL 593 N 1.12 4.26 0.30 1.34 -7.23 0.89 -5.00 120.40 116.07 2f57 s VAL 593 Ca 0.00 -1.18 -0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2f57 s VAL 593 Cb -0.14 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.36 2f57 s VAL 593 CO -0.09 -0.24 0.50 -0.94 -0.31 0.00 0.00 175.10 174.03 2f57 s SER 594 N -4.01 0.28 0.30 4.85 1.04 -0.70 -4.53 113.70 110.92 2f57 s SER 594 Ca 0.39 -1.16 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 2f57 s SER 594 Cb -0.08 0.64 0.50 0.00 0.10 0.00 0.00 66.02 67.17 2f57 s SER 594 CO 0.28 -1.25 1.92 0.07 0.98 0.00 0.00 173.24 175.24 2f57 h LYS 595 N 2.18 1.04 -0.21 4.02 -0.00 -2.00 0.05 116.57 121.65 2f57 h LYS 595 Ca -0.28 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.65 60.23 2f57 h LYS 595 Cb 1.25 -0.23 -0.00 0.00 -0.00 0.00 0.00 32.23 33.24 2f57 h LYS 595 CO 0.38 0.69 -0.18 1.05 -0.00 0.00 0.00 179.45 181.38 2f57 h GLU 596 N 1.07 0.49 -2.70 0.07 4.11 -2.03 -3.37 114.58 112.21 2f57 h GLU 596 Ca 0.38 -0.25 -0.61 0.00 0.07 0.00 0.00 59.36 58.95 2f57 h GLU 596 Cb 0.13 0.01 -0.41 0.00 0.50 0.00 0.00 28.75 28.98 2f57 h GLU 596 CO -0.13 0.82 -0.73 0.28 0.07 0.00 0.00 179.01 179.32 2f57 n VAL 597 N -4.46 0.75 0.31 -1.06 0.31 -1.07 -4.98 118.33 108.14 2f57 n VAL 597 Ca -0.05 -4.44 0.15 0.00 -0.01 0.00 0.00 64.34 59.99 2f57 n VAL 597 Cb 0.39 -2.01 0.52 0.00 -0.91 0.00 0.00 33.84 31.83 2f57 n VAL 597 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2f57 h PRO 598 N 5.22 0.00 -5.29 5.55 0.13 -1.17 -1.86 132.00 134.59 2f57 h PRO 598 Ca 0.19 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.92 2f57 h PRO 598 Cb 0.79 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.73 2f57 h PRO 598 CO 0.61 0.00 -0.77 0.15 -0.23 0.00 0.00 178.00 177.77 2f57 s LYS 599 N -3.46 0.87 0.31 0.86 1.02 -1.26 -4.63 119.74 113.44 2f57 s LYS 599 Ca 0.04 -1.06 0.07 0.00 0.02 0.00 0.00 55.97 55.04 2f57 s LYS 599 Cb 0.08 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 2f57 s LYS 599 CO 0.55 0.16 0.27 1.03 -0.92 0.00 0.00 175.35 176.44 2f57 s ARG 600 N -2.17 2.82 -0.45 1.68 1.81 -0.07 -4.84 118.95 117.73 2f57 s ARG 600 Ca 0.02 -1.20 0.09 0.00 -1.72 0.00 0.00 55.73 52.92 2f57 s ARG 600 Cb -0.07 -2.52 0.30 0.00 -0.45 0.00 0.00 34.95 32.20 2f57 s ARG 600 CO 0.02 0.20 0.69 1.63 -0.68 0.00 0.00 175.30 177.16 2f57 n LYS 601 N -1.32 1.45 -3.71 3.54 5.02 -1.26 -0.60 118.16 121.28 2f57 n LYS 601 Ca -0.04 -3.73 -0.30 0.00 -2.02 0.00 0.00 58.31 52.22 2f57 n LYS 601 Cb 0.59 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 2f57 n LYS 601 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2f57 s LEU 603 N -2.15 2.30 0.01 -0.35 2.96 -1.26 -4.82 118.68 115.36 2f57 s LEU 603 Ca 0.40 -2.01 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 2f57 s LEU 603 Cb 0.25 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 2f57 s LEU 603 CO -0.09 -0.36 -0.04 0.68 -1.32 0.00 0.00 176.35 175.22 2f57 s VAL 604 N 1.16 0.29 -5.00 1.68 -7.23 -1.26 -5.14 120.40 104.90 2f57 s VAL 604 Ca 0.13 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2f57 s VAL 604 Cb -0.20 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.46 2f57 s VAL 604 CO -0.15 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2f57 n GLY 605 N 2.67 0.49 3.35 2.32 0.00 -1.26 -4.95 105.19 107.82 2f57 n GLY 605 Ca -0.15 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.09 4.29 0.02 2.61 2.01 -1.26 -5.03 115.64 116.19 2f57 s THR 606 Ca 0.00 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 2f57 s THR 606 Cb 0.00 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2f57 s THR 606 CO 0.00 -0.13 0.23 -2.65 -0.69 0.00 0.00 174.62 171.38 2f57 n PRO 607 N 4.93 -0.06 0.31 4.92 -0.02 -1.26 -1.05 135.00 142.78 2f57 n PRO 607 Ca -0.13 0.22 0.20 0.00 -2.02 0.00 0.00 63.50 61.78 2f57 n PRO 607 Cb 0.46 -0.33 0.99 0.00 -0.02 0.00 0.00 33.50 34.61 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 -1.92 -2.45 116.97 118.62 2f57 h TYR 608 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2f57 h TYR 608 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2f57 h TYR 608 CO -0.16 0.00 -0.20 0.91 -1.05 0.00 0.00 178.16 177.66 2f57 n TRP 609 N -3.10 0.00 -2.72 4.88 8.01 -0.21 -4.78 117.44 119.51 2f57 n TRP 609 Ca -0.01 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.78 2f57 n TRP 609 Cb 0.17 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.41 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 -1.90 4.78 0.56 -0.99 -1.94 -0.93 -3.96 119.30 114.93 2f57 s MET 610 Ca 0.19 1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.49 2f57 s MET 610 Cb 0.16 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 2f57 s MET 610 CO 0.36 0.44 1.09 0.00 -0.01 0.00 0.00 175.02 176.90 2f57 s ALA 611 N -1.25 2.71 0.27 3.03 0.00 -1.26 -4.90 121.76 120.35 2f57 s ALA 611 Ca 0.43 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 2f57 s ALA 611 Cb -0.25 -3.30 0.36 0.00 0.00 0.00 0.00 23.12 19.92 2f57 s ALA 611 CO 0.32 -0.76 1.91 -1.35 0.00 0.00 0.00 175.76 175.88 2f57 h PRO 612 N 0.93 1.21 0.00 0.00 0.11 -1.90 -2.33 132.00 130.01 2f57 h PRO 612 Ca -0.49 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 2f57 h PRO 612 Cb 1.24 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2f57 h PRO 612 CO 0.57 0.80 -0.25 1.05 -0.21 0.00 0.00 178.00 179.96 2f57 h GLU 613 N 1.25 0.00 -0.13 1.05 9.09 -1.92 0.27 114.58 124.18 2f57 h GLU 613 Ca 0.39 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.69 2f57 h GLU 613 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2f57 h GLU 613 CO -0.12 0.25 -0.33 0.28 0.05 0.00 0.00 179.01 179.14 2f57 h VAL 614 N 0.00 1.37 0.00 -1.06 2.07 -1.70 0.10 116.25 117.03 2f57 h VAL 614 Ca -0.00 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 2f57 h VAL 614 Cb 0.46 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2f57 h VAL 614 CO 0.03 0.48 -0.31 0.40 0.02 0.00 0.00 177.57 178.19 2f57 h ILE 615 N 0.06 1.22 0.00 4.57 2.04 -0.96 -1.77 117.51 122.68 2f57 h ILE 615 Ca -0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2f57 h ILE 615 Cb 0.94 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2f57 h ILE 615 CO 0.07 0.31 0.00 -1.20 0.00 0.00 0.00 178.15 177.33 2f57 n SER 616 N -4.16 0.00 -3.31 1.72 7.64 0.92 -4.93 113.62 111.50 2f57 n SER 616 Ca -0.02 0.07 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 2f57 n SER 616 Cb 0.36 -0.36 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.36 -6.95 -3.77 1.43 5.12 -0.66 -5.02 116.66 105.44 2f57 n ARG 617 Ca 0.12 0.77 -0.26 0.00 -1.93 0.00 0.00 57.85 56.54 2f57 n ARG 617 Cb 0.27 -5.61 -0.03 0.00 -1.16 0.00 0.00 32.46 25.93 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 -6.55 4.26 0.26 0.55 1.43 -0.02 -5.04 118.68 113.56 2f57 s LEU 618 Ca 0.37 0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 53.47 2f57 s LEU 618 Cb -0.16 -3.08 -0.12 0.00 0.03 0.00 0.00 46.19 42.86 2f57 s LEU 618 CO 0.67 -0.03 1.65 -2.65 0.23 0.00 0.00 176.35 176.22 2f57 n PRO 619 N -0.72 2.74 -4.16 1.29 -0.02 -1.26 -4.63 135.00 128.23 2f57 n PRO 619 Ca -0.06 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 2f57 n PRO 619 Cb 0.54 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 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 0.48 0.85 0.00 6.00 -0.85 0.23 -4.92 117.35 119.14 2f57 s TYR 620 Ca 0.69 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 2f57 s TYR 620 Cb -0.50 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.33 2f57 s TYR 620 CO 0.42 -0.22 0.00 0.41 -1.52 0.00 0.00 175.55 174.64 2f57 n GLY 621 N -0.03 5.37 0.30 5.49 0.00 -1.26 -0.89 105.19 114.17 2f57 n GLY 621 Ca -0.12 -1.54 0.20 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.04 2.61 1.35 -1.93 -2.92 112.91 111.99 2f57 h THR 622 Ca 0.00 -0.12 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2f57 h THR 622 Cb 0.00 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2f57 h THR 622 CO 0.00 0.00 0.04 -0.33 -0.25 0.00 0.00 175.52 174.98 2f57 h GLU 623 N 0.00 0.00 -0.32 4.72 3.07 -1.95 -2.40 114.58 117.71 2f57 h GLU 623 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2f57 h GLU 623 Cb 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 2f57 h GLU 623 CO 0.00 0.00 0.14 -0.39 -1.40 0.00 0.00 179.01 177.36 2f57 h VAL 624 N 0.00 1.12 -0.00 3.13 -1.51 -1.93 -1.83 116.25 115.23 2f57 h VAL 624 Ca 0.02 -0.35 -0.07 0.00 -1.23 0.00 0.00 66.70 65.07 2f57 h VAL 624 Cb 0.10 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2f57 h VAL 624 CO -0.00 0.14 -0.33 0.44 -1.23 0.00 0.00 177.57 176.59 2f57 h ASP 625 N 0.44 0.01 -0.14 4.19 3.32 -1.69 -2.14 116.42 120.41 2f57 h ASP 625 Ca 0.11 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 2f57 h ASP 625 Cb 0.07 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2f57 h ASP 625 CO -0.01 0.33 -0.40 0.40 -1.72 0.00 0.00 179.24 177.84 2f57 h ILE 626 N 0.00 1.29 -0.05 0.35 1.08 -1.47 0.21 117.51 118.93 2f57 h ILE 626 Ca -0.00 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.89 2f57 h ILE 626 Cb 0.58 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 2f57 h ILE 626 CO 0.04 0.50 0.01 -0.25 -0.69 0.00 0.00 178.15 177.77 2f57 h TRP 627 N 0.55 0.10 -0.90 1.37 2.91 -1.38 -2.05 115.95 116.55 2f57 h TRP 627 Ca 0.05 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.06 2f57 h TRP 627 Cb 0.93 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.51 2f57 h TRP 627 CO 0.04 0.32 0.59 0.77 -1.03 0.00 0.00 178.44 179.13 2f57 h SER 628 N -0.15 1.02 -0.40 2.65 0.02 -1.29 -1.49 113.55 113.91 2f57 h SER 628 Ca 0.02 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2f57 h SER 628 Cb 0.27 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2f57 h SER 628 CO 0.00 0.74 0.11 0.25 -1.14 0.00 0.00 176.83 176.79 2f57 h LEU 629 N 1.21 0.08 -0.97 5.07 5.85 -0.90 -1.30 115.31 124.36 2f57 h LEU 629 Ca 0.33 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.21 2f57 h LEU 629 Cb -0.13 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2f57 h LEU 629 CO -0.08 0.08 0.60 1.23 -0.34 0.00 0.00 178.44 179.94 2f57 h GLY 630 N 0.26 1.53 1.22 3.75 0.00 -0.56 0.53 103.07 109.81 2f57 h GLY 630 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2f57 h GLY 630 CO -0.22 0.21 0.07 -2.22 0.00 0.00 0.00 176.54 174.38 2f57 h ILE 631 N 1.01 1.25 -0.13 2.60 1.08 -0.79 -1.91 117.51 120.62 2f57 h ILE 631 Ca 0.46 -1.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.86 2f57 h ILE 631 Cb 0.36 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2f57 h ILE 631 CO -0.23 0.37 -0.25 -0.03 -0.69 0.00 0.00 178.15 177.31 2f57 h MET 632 N 0.90 0.23 -0.77 2.37 4.05 -0.12 -0.41 114.93 121.18 2f57 h MET 632 Ca 0.18 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.48 2f57 h MET 632 Cb 0.42 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 2f57 h MET 632 CO 0.01 0.47 0.28 0.28 0.23 0.00 0.00 176.91 178.19 2f57 h VAL 633 N 0.21 1.26 -0.52 -5.77 2.07 -0.41 -0.54 116.25 112.54 2f57 h VAL 633 Ca 0.03 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2f57 h VAL 633 Cb 0.56 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2f57 h VAL 633 CO 0.04 0.34 0.03 0.40 0.02 0.00 0.00 177.57 178.40 2f57 h ILE 634 N 1.12 1.25 -0.60 4.57 2.04 -0.69 -0.25 117.51 124.95 2f57 h ILE 634 Ca 0.25 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.19 2f57 h ILE 634 Cb 0.25 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2f57 h ILE 634 CO -0.02 0.36 0.23 -0.33 0.00 0.00 0.00 178.15 178.40 2f57 h GLU 635 N 0.81 0.41 0.00 2.37 5.08 -0.47 0.21 114.58 122.99 2f57 h GLU 635 Ca 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2f57 h GLU 635 Cb 0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2f57 h GLU 635 CO 0.02 0.27 -0.24 0.52 -1.00 0.00 0.00 179.01 178.58 2f57 h MET 636 N 0.42 0.00 0.00 2.33 2.86 -0.05 0.36 114.93 120.85 2f57 h MET 636 Ca 0.30 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.81 2f57 h MET 636 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2f57 h MET 636 CO -0.29 0.24 -0.74 0.82 1.06 0.00 0.00 176.91 178.00 2f57 h ILE 637 N 0.00 1.08 -0.00 -1.22 2.04 -0.49 -3.40 117.51 115.51 2f57 h ILE 637 Ca -0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2f57 h ILE 637 Cb 0.71 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2f57 h ILE 637 CO 0.03 0.37 -0.73 0.47 0.00 0.00 0.00 178.15 178.29 2f57 n ASP 638 N -4.52 1.08 0.00 1.72 8.00 0.68 -4.98 116.55 118.54 2f57 n ASP 638 Ca -0.22 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2f57 n ASP 638 Cb 0.55 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 2f57 n ASP 638 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f57 n GLY 639 N 1.38 2.56 3.23 0.44 0.00 0.13 -5.01 105.19 107.92 2f57 n GLY 639 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2f57 n GLY 639 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f57 s GLU 640 N -0.77 0.80 0.78 1.61 2.02 -1.24 -4.51 118.70 117.40 2f57 s GLU 640 Ca 0.00 -0.65 -0.11 0.00 0.02 0.00 0.00 54.97 54.23 2f57 s GLU 640 Cb 0.00 0.34 0.06 0.00 0.10 0.00 0.00 34.13 34.63 2f57 s GLU 640 CO 0.00 -0.26 1.08 -1.25 0.02 0.00 0.00 175.26 174.86 2f57 s PRO 641 N -2.91 2.18 0.55 0.39 0.04 -1.26 -3.86 135.00 130.13 2f57 s PRO 641 Ca -0.02 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 2f57 s PRO 641 Cb 0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2f57 s PRO 641 CO -0.06 -1.61 1.03 -2.30 0.04 0.00 0.00 177.00 174.11 2f57 n PRO 642 N -3.46 1.14 -1.44 0.56 -0.02 -1.26 -2.82 135.00 127.69 2f57 n PRO 642 Ca 0.08 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 2f57 n PRO 642 Cb 0.55 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.31 0.00 0.27 6.00 4.01 -1.26 -4.85 117.16 120.01 2f57 n TYR 643 Ca 0.12 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.00 2f57 n TYR 643 Cb 0.45 -2.79 0.71 0.00 -0.31 0.00 0.00 39.34 37.40 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 -1.90 0.02 116.94 117.91 2f57 h PHE 644 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2f57 h PHE 644 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2f57 h PHE 644 CO 0.48 0.10 0.00 0.27 -2.23 0.00 0.00 178.31 176.94 2f57 n ASN 645 N -3.37 0.00 -4.78 0.41 6.94 -1.26 -4.83 115.26 108.37 2f57 n ASN 645 Ca -0.01 0.16 -0.22 0.00 -0.02 0.00 0.00 54.58 54.49 2f57 n ASN 645 Cb 0.28 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 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 -2.71 2.72 0.54 -3.83 2.02 -0.01 -5.11 118.70 112.33 2f57 s GLU 646 Ca 0.16 -1.20 -0.22 0.00 0.02 0.00 0.00 54.97 53.73 2f57 s GLU 646 Cb 0.13 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2f57 s GLU 646 CO 0.33 0.34 1.34 -2.14 0.02 0.00 0.00 175.26 175.14 2f57 s PRO 647 N -3.82 3.18 0.21 0.39 0.02 -1.26 -4.73 135.00 129.00 2f57 s PRO 647 Ca 0.34 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 2f57 s PRO 647 Cb -0.07 -2.26 0.24 0.00 0.02 0.00 0.00 34.50 32.44 2f57 s PRO 647 CO 0.24 -1.14 1.83 -1.00 -0.33 0.00 0.00 177.00 176.60 2f57 h PRO 648 N 1.48 0.77 -0.12 5.54 0.13 -1.95 0.11 132.00 137.96 2f57 h PRO 648 Ca -0.51 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 2f57 h PRO 648 Cb 1.30 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2f57 h PRO 648 CO 0.57 0.51 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.46 2f57 h LEU 649 N 0.79 0.23 -0.21 1.56 3.38 -1.99 0.06 115.31 119.14 2f57 h LEU 649 Ca 0.31 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 2f57 h LEU 649 Cb 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2f57 h LEU 649 CO -0.16 0.55 -0.13 -0.61 0.09 0.00 0.00 178.44 178.18 2f57 h GLN 650 N 0.20 0.45 -0.68 1.13 4.15 -1.53 -2.65 115.11 116.19 2f57 h GLN 650 Ca 0.03 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.29 2f57 h GLN 650 Cb 0.67 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 2f57 h GLN 650 CO 0.05 0.76 0.40 0.00 -1.93 0.00 0.00 178.83 178.11 2f57 h ALA 651 N 0.68 0.91 -0.58 3.38 0.00 -0.49 -2.12 119.26 121.03 2f57 h ALA 651 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2f57 h ALA 651 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2f57 h ALA 651 CO 0.04 0.10 0.39 0.52 0.00 0.00 0.00 179.25 180.30 2f57 h MET 652 N 0.75 0.70 -0.62 0.00 2.86 -0.94 -1.03 114.93 116.65 2f57 h MET 652 Ca 0.30 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2f57 h MET 652 Cb 0.14 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 2f57 h MET 652 CO -0.16 0.46 0.14 0.00 1.06 0.00 0.00 176.91 178.41 2f57 h ARG 653 N 0.72 0.98 -0.14 1.72 3.08 -1.02 -1.69 114.38 118.03 2f57 h ARG 653 Ca 0.23 -0.22 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 2f57 h ARG 653 Cb 0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2f57 h ARG 653 CO -0.06 0.88 -0.69 0.00 -1.07 0.00 0.00 179.97 179.03 2f57 h ARG 654 N 0.93 0.58 -0.43 0.04 3.08 -1.03 -1.80 114.38 115.75 2f57 h ARG 654 Ca 0.20 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2f57 h ARG 654 Cb 0.35 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2f57 h ARG 654 CO 0.00 1.06 0.20 0.82 -1.07 0.00 0.00 179.97 180.98 2f57 h ILE 655 N 0.41 1.18 -0.33 2.04 2.04 -1.13 0.11 117.51 121.82 2f57 h ILE 655 Ca -0.02 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 2f57 h ILE 655 Cb 1.27 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2f57 h ILE 655 CO 0.13 0.20 -0.20 -0.09 0.00 0.00 0.00 178.15 178.19 2f57 h ARG 656 N 0.55 0.62 0.00 2.37 2.43 -1.17 -3.36 114.38 115.82 2f57 h ARG 656 Ca 0.15 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2f57 h ARG 656 Cb 0.13 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2f57 h ARG 656 CO -0.02 0.78 -0.93 -0.25 -1.51 0.00 0.00 179.97 178.05 2f57 n ASP 657 N -4.14 1.87 -4.95 -3.80 8.00 -0.69 -4.99 116.55 107.86 2f57 n ASP 657 Ca 0.00 -0.31 -0.19 0.00 0.71 0.00 0.00 54.79 55.00 2f57 n ASP 657 Cb 0.39 1.21 -0.01 0.00 -0.02 0.00 0.00 41.12 42.69 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 -2.42 5.63 0.81 -2.24 0.01 0.02 -5.06 113.70 110.44 2f57 s SER 658 Ca -0.00 -0.38 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 2f57 s SER 658 Cb 0.06 -0.97 0.08 0.00 0.21 0.00 0.00 66.02 65.40 2f57 s SER 658 CO 0.34 -0.51 1.18 -0.76 0.41 0.00 0.00 173.24 173.90 2f57 s LEU 659 N -4.16 3.11 0.60 2.44 1.43 -1.26 -4.88 118.68 115.95 2f57 s LEU 659 Ca 0.46 2.26 -0.19 0.00 -1.03 0.00 0.00 54.13 55.63 2f57 s LEU 659 Cb -0.08 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 2f57 s LEU 659 CO 0.30 -2.59 1.05 -2.65 0.23 0.00 0.00 176.35 172.68 2f57 n PRO 660 N -3.39 1.01 -2.33 1.29 -0.02 -1.26 -4.92 135.00 125.38 2f57 n PRO 660 Ca 0.13 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 2f57 n PRO 660 Cb 0.51 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.83 3.48 0.32 0.52 0.04 -1.26 -5.06 135.00 130.20 2f57 s PRO 661 Ca 0.76 1.52 0.10 0.00 0.04 0.00 0.00 61.00 63.42 2f57 s PRO 661 Cb -0.42 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 2f57 s PRO 661 CO 0.47 -0.73 -0.11 1.03 0.04 0.00 0.00 177.00 177.70 2f57 s ARG 662 N -3.31 1.85 0.88 4.56 0.52 -1.26 -5.06 118.95 117.13 2f57 s ARG 662 Ca 0.71 -1.82 -0.11 0.00 -0.52 0.00 0.00 55.73 53.99 2f57 s ARG 662 Cb -0.21 -1.80 0.12 0.00 0.52 0.00 0.00 34.95 33.58 2f57 s ARG 662 CO 0.25 0.22 1.10 0.14 0.02 0.00 0.00 175.30 177.03 2f57 s VAL 663 N -2.54 2.70 0.13 3.52 -7.23 -1.26 -4.96 120.40 110.75 2f57 s VAL 663 Ca 0.32 0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.58 2f57 s VAL 663 Cb -0.01 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2f57 s VAL 663 CO 0.17 -0.30 1.54 0.11 -0.31 0.00 0.00 175.10 176.31 2f57 h LYS 664 N -1.57 0.76 -3.25 4.82 1.57 -1.98 -3.40 116.57 113.53 2f57 h LYS 664 Ca -0.47 -0.28 -0.61 0.00 -1.87 0.00 0.00 60.65 57.42 2f57 h LYS 664 Cb 1.26 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 2f57 h LYS 664 CO 0.50 0.88 -0.73 -0.51 -0.57 0.00 0.00 179.45 179.02 2f57 s ASP 665 N -6.35 3.87 0.34 0.86 1.01 -1.26 -4.99 116.67 110.14 2f57 s ASP 665 Ca -0.13 -2.47 0.07 0.00 0.71 0.00 0.00 52.55 50.74 2f57 s ASP 665 Cb 0.10 -1.12 0.77 0.00 1.01 0.00 0.00 42.92 43.68 2f57 s ASP 665 CO 0.81 -0.30 1.85 -0.07 0.21 0.00 0.00 175.17 177.68 2f57 h LEU 666 N 6.99 0.71 -0.40 1.23 3.38 -1.95 -0.92 115.31 124.36 2f57 h LEU 666 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2f57 h LEU 666 Cb 0.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2f57 h LEU 666 CO 0.51 0.35 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2f57 n HIS 667 N -4.59 0.50 -0.35 1.13 1.44 -1.26 -2.70 115.22 109.39 2f57 n HIS 667 Ca 0.18 0.19 0.11 0.00 -2.01 0.00 0.00 57.72 56.20 2f57 n HIS 667 Cb 0.47 -0.81 0.33 0.00 0.12 0.00 0.00 29.99 30.09 2f57 n HIS 667 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2f57 n LYS 668 N -1.95 2.80 -5.05 -1.40 5.02 -0.35 -4.87 118.16 112.36 2f57 n LYS 668 Ca 0.03 -2.65 -0.28 0.00 -2.02 0.00 0.00 58.31 53.39 2f57 n LYS 668 Cb 0.22 -1.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.47 2f57 n LYS 668 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2f57 s VAL 669 N -1.12 1.73 0.83 -0.18 1.01 -1.10 -5.10 120.40 116.47 2f57 s VAL 669 Ca 0.49 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2f57 s VAL 669 Cb 0.26 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 35.28 2f57 s VAL 669 CO 0.32 0.49 1.16 -0.94 0.00 0.00 0.00 175.10 176.13 2f57 s SER 670 N -0.17 3.58 0.25 3.32 1.04 -1.26 -4.77 113.70 115.68 2f57 s SER 670 Ca -0.01 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.57 2f57 s SER 670 Cb -0.12 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.71 2f57 s SER 670 CO 0.02 -2.67 1.91 0.28 0.98 0.00 0.00 173.24 173.76 2f57 h SER 671 N -1.21 1.08 -0.40 7.02 0.02 -1.98 -0.56 113.55 117.52 2f57 h SER 671 Ca -0.45 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 2f57 h SER 671 Cb 1.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2f57 h SER 671 CO 0.46 0.76 -0.21 1.62 -1.14 0.00 0.00 176.83 178.32 2f57 h VAL 672 N 1.26 1.27 -0.20 2.27 3.04 -1.99 -0.94 116.25 120.96 2f57 h VAL 672 Ca 0.37 -1.35 -0.20 0.00 -1.01 0.00 0.00 66.70 64.51 2f57 h VAL 672 Cb -0.08 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2f57 h VAL 672 CO -0.10 0.46 -0.67 0.25 -1.01 0.00 0.00 177.57 176.50 2f57 h LEU 673 N 0.78 0.91 -0.83 3.16 5.85 -1.86 -1.77 115.31 121.55 2f57 h LEU 673 Ca 0.11 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2f57 h LEU 673 Cb 0.75 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2f57 h LEU 673 CO 0.06 1.34 0.52 0.03 -0.34 0.00 0.00 178.44 180.04 2f57 h ARG 674 N 0.57 0.94 -0.60 1.25 3.08 -1.02 -0.44 114.38 118.16 2f57 h ARG 674 Ca -0.02 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2f57 h ARG 674 Cb 1.28 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2f57 h ARG 674 CO 0.14 0.62 0.09 0.78 -1.07 0.00 0.00 179.97 180.53 2f57 h GLY 675 N 0.97 1.09 1.00 0.04 0.00 -1.04 -0.06 103.07 105.06 2f57 h GLY 675 Ca 0.35 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2f57 h GLY 675 CO -0.15 0.68 0.05 -2.75 0.00 0.00 0.00 176.54 174.36 2f57 h PHE 676 N 0.91 0.09 -0.74 5.60 3.57 -1.09 -2.68 116.94 122.60 2f57 h PHE 676 Ca 0.18 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2f57 h PHE 676 Cb 0.44 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2f57 h PHE 676 CO 0.03 0.06 0.29 1.25 -2.23 0.00 0.00 178.31 177.71 2f57 h LEU 677 N 0.09 1.03 -2.44 0.59 5.85 -0.86 -2.15 115.31 117.43 2f57 h LEU 677 Ca 0.03 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2f57 h LEU 677 Cb -0.01 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2f57 h LEU 677 CO -0.01 0.92 -0.01 0.44 -0.34 0.00 0.00 178.44 179.45 2f57 h ASP 678 N 1.07 0.00 1.68 1.25 3.32 -0.86 -1.50 116.42 121.39 2f57 h ASP 678 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2f57 h ASP 678 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2f57 h ASP 678 CO -0.02 0.01 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.22 2f57 h LEU 679 N 0.00 0.00 0.04 1.55 3.38 -1.04 -3.38 115.31 115.86 2f57 h LEU 679 Ca -0.00 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 2f57 h LEU 679 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2f57 h LEU 679 CO 0.00 0.01 -2.26 0.23 0.09 0.00 0.00 178.44 176.51 2f57 n MET 680 N -2.86 0.68 -2.16 1.13 2.81 -0.75 -1.41 117.12 114.56 2f57 n MET 680 Ca 0.03 0.22 -0.41 0.00 -1.81 0.00 0.00 57.70 55.74 2f57 n MET 680 Cb 0.52 -1.59 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 -3.50 7.47 -4.34 4.03 4.77 -0.64 -4.13 117.00 120.67 2f57 n LEU 681 Ca -0.41 -4.81 -0.34 0.00 -0.03 0.00 0.00 56.01 50.42 2f57 n LEU 681 Cb 0.98 -1.40 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2f57 n LEU 681 CO 0.29 1.79 -0.43 -0.69 -1.33 0.00 0.00 177.39 177.02 2f57 s VAL 682 N -0.66 3.09 0.06 4.08 1.01 -1.26 -4.74 120.40 121.97 2f57 s VAL 682 Ca 0.48 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2f57 s VAL 682 Cb 0.15 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 34.07 2f57 s VAL 682 CO -0.05 0.50 1.51 0.03 0.00 0.00 0.00 175.10 177.09 2f57 h ARG 683 N 7.19 0.24 -6.44 2.72 3.08 -1.97 -3.41 114.38 115.79 2f57 h ARG 683 Ca -0.32 -0.07 -0.57 0.00 0.07 0.00 0.00 59.98 59.10 2f57 h ARG 683 Cb 1.19 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2f57 h ARG 683 CO 0.58 0.44 1.06 -2.00 -1.07 0.00 0.00 179.97 178.98 2f57 s GLU 684 N -5.09 3.68 0.38 0.04 2.56 -1.26 -4.79 118.70 114.22 2f57 s GLU 684 Ca -0.14 1.14 0.11 0.00 0.00 0.00 0.00 54.97 56.07 2f57 s GLU 684 Cb 0.06 -3.99 0.88 0.00 2.00 0.00 0.00 34.13 33.08 2f57 s GLU 684 CO 0.71 -1.42 1.90 -1.35 -0.56 0.00 0.00 175.26 174.54 2f57 h PRO 685 N 10.42 0.59 0.00 4.30 0.11 -1.97 -1.45 132.00 144.00 2f57 h PRO 685 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2f57 h PRO 685 Cb 1.11 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2f57 h PRO 685 CO 1.06 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.90 2f57 h SER 686 N 0.61 0.00 -0.02 -2.05 4.64 -1.95 -2.60 113.55 112.17 2f57 h SER 686 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2f57 h SER 686 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2f57 h SER 686 CO -0.16 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.56 2f57 n GLN 687 N -3.03 1.76 -2.81 4.77 1.13 -0.57 -4.96 117.38 113.68 2f57 n GLN 687 Ca -0.00 -1.46 -0.38 0.00 -1.94 0.00 0.00 57.00 53.22 2f57 n GLN 687 Cb 0.23 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 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 -2.22 4.62 0.56 -1.09 3.52 -0.98 -4.99 118.95 118.38 2f57 s ARG 688 Ca 0.23 1.32 -0.21 0.00 -0.13 0.00 0.00 55.73 56.94 2f57 s ARG 688 Cb 0.19 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 2f57 s ARG 688 CO 0.43 0.36 1.30 0.00 -0.81 0.00 0.00 175.30 176.58 2f57 s ALA 689 N -1.49 2.71 0.45 6.12 0.00 -0.50 -5.03 121.76 124.02 2f57 s ALA 689 Ca 0.47 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 2f57 s ALA 689 Cb -0.20 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 2f57 s ALA 689 CO 0.26 -1.30 0.68 0.95 0.00 0.00 0.00 175.76 176.35 2f57 s THR 690 N -1.40 4.37 0.21 0.00 -4.23 -1.26 -4.92 115.64 108.42 2f57 s THR 690 Ca 0.74 -0.33 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 2f57 s THR 690 Cb -0.37 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.00 2f57 s THR 690 CO 0.42 -0.48 1.83 0.00 -0.54 0.00 0.00 174.62 175.85 2f57 h ALA 691 N 0.39 0.96 -0.46 3.99 0.00 -1.94 -0.88 119.26 121.33 2f57 h ALA 691 Ca -0.47 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.52 2f57 h ALA 691 Cb 1.24 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2f57 h ALA 691 CO 0.59 0.16 0.05 0.37 0.00 0.00 0.00 179.25 180.42 2f57 h GLN 692 N 0.81 0.16 -0.53 0.00 4.15 -1.94 -1.30 115.11 116.46 2f57 h GLN 692 Ca 0.31 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.66 2f57 h GLN 692 Cb 0.12 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2f57 h GLN 692 CO -0.15 0.11 0.10 0.93 -1.93 0.00 0.00 178.83 177.89 2f57 h GLU 693 N 0.17 0.87 -0.11 1.69 5.08 -1.76 -3.10 114.58 117.42 2f57 h GLU 693 Ca 0.23 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2f57 h GLU 693 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2f57 h GLU 693 CO -0.34 0.84 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.20 2f57 h LEU 694 N 0.76 0.19 -2.16 1.33 3.38 -0.75 -2.57 115.31 115.50 2f57 h LEU 694 Ca 0.16 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2f57 h LEU 694 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2f57 h LEU 694 CO 0.01 0.44 0.16 -0.07 0.09 0.00 0.00 178.44 179.07 2f57 h LEU 695 N 0.18 0.00 -1.06 1.67 3.38 -1.16 -1.23 115.31 117.08 2f57 h LEU 695 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2f57 h LEU 695 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2f57 h LEU 695 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2f57 n GLY 696 N -1.48 0.15 3.76 0.83 0.00 -0.97 -4.91 105.19 102.58 2f57 n GLY 696 Ca 0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.92 3.25 0.49 1.61 5.04 -0.47 -4.93 115.29 118.36 2f57 s HIS 697 Ca 0.36 1.51 0.20 0.00 -1.54 0.00 0.00 55.06 55.59 2f57 s HIS 697 Cb 0.20 -3.54 1.24 0.00 0.04 0.00 0.00 32.58 30.52 2f57 s HIS 697 CO 0.31 -1.39 2.01 -1.00 -2.34 0.00 0.00 174.74 172.33 2f57 h PRO 698 N 3.60 0.15 -1.00 2.88 0.13 -1.93 -2.13 132.00 133.71 2f57 h PRO 698 Ca -0.48 -0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.82 2f57 h PRO 698 Cb 1.22 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2f57 h PRO 698 CO 0.66 0.10 0.62 0.35 -0.23 0.00 0.00 178.00 179.50 2f57 h PHE 699 N 0.16 1.05 0.00 1.56 3.57 -1.92 -1.40 116.94 119.96 2f57 h PHE 699 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2f57 h PHE 699 Cb 0.69 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2f57 h PHE 699 CO -0.00 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.61 2f57 n LEU 700 N -4.73 0.44 0.10 0.59 4.77 -0.80 -1.52 117.00 115.85 2f57 n LEU 700 Ca 0.23 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.87 2f57 n LEU 700 Cb 0.56 -0.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.62 2f57 n LEU 700 CO 0.23 -0.26 0.79 0.29 -1.33 0.00 0.00 177.39 177.10 2f57 n LYS 701 N -1.94 0.13 0.00 3.23 5.02 -0.53 -1.62 118.16 122.45 2f57 n LYS 701 Ca 0.05 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 56.94 2f57 n LYS 701 Cb 0.30 -1.79 0.69 0.00 -0.02 0.00 0.00 35.03 34.21 2f57 n LYS 701 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2f57 n LEU 702 N -2.04 0.00 -4.76 -0.35 4.77 -0.57 -4.93 117.00 109.12 2f57 n LEU 702 Ca 0.01 0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 55.99 2f57 n LEU 702 Cb 0.14 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2f57 n LEU 702 CO 0.14 -0.00 1.00 0.00 -1.33 0.00 0.00 177.39 177.20 2f57 s ALA 703 N -2.77 2.98 0.37 -1.18 0.00 -0.64 -4.46 121.76 116.06 2f57 s ALA 703 Ca 0.22 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.54 2f57 s ALA 703 Cb 0.20 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2f57 s ALA 703 CO 0.49 -1.26 0.06 0.41 0.00 0.00 0.00 175.76 175.47 2f57 n GLY 704 N 0.66 3.55 3.84 0.00 0.00 -1.26 -4.92 105.19 107.07 2f57 n GLY 704 Ca 0.08 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.39 1.92 0.43 1.61 0.04 -1.26 -4.85 135.00 129.50 2f57 s PRO 705 Ca 0.05 0.35 0.20 0.00 0.04 0.00 0.00 61.00 61.63 2f57 s PRO 705 Cb -0.00 -1.92 1.14 0.00 0.04 0.00 0.00 34.50 33.76 2f57 s PRO 705 CO 0.03 -1.67 1.85 -1.35 0.04 0.00 0.00 177.00 175.89 2f57 h PRO 706 N -1.12 0.34 -0.16 0.56 0.11 -1.83 -0.60 132.00 129.29 2f57 h PRO 706 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2f57 h PRO 706 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2f57 h PRO 706 CO 0.63 0.22 0.22 0.66 -0.21 0.00 0.00 178.00 179.53 2f57 h SER 707 N 0.35 0.00 1.54 -2.05 4.64 -1.88 -1.12 113.55 115.03 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 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2f57 h SER 707 CO -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 2f57 h ILE 709 N 0.00 1.15 -0.82 0.00 1.08 -1.35 -3.40 117.51 114.17 2f57 h ILE 709 Ca 0.00 -2.88 0.16 0.00 -0.39 0.00 0.00 64.86 61.75 2f57 h ILE 709 Cb 0.77 2.65 -0.10 0.00 -3.07 0.00 0.00 36.82 37.07 2f57 h ILE 709 CO 0.00 0.75 0.38 0.58 -0.69 0.00 0.00 178.15 179.16 2f57 h VAL 710 N 0.03 0.66 0.00 1.67 2.07 -1.57 -1.11 116.25 118.00 2f57 h VAL 710 Ca -0.21 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2f57 h VAL 710 Cb 1.96 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2f57 h VAL 710 CO 0.12 0.09 0.00 -0.65 0.02 0.00 0.00 177.57 177.16 2f57 h PRO 711 N 0.52 0.00 0.00 1.57 0.11 -1.77 -1.87 132.00 130.56 2f57 h PRO 711 Ca 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.51 2f57 h PRO 711 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2f57 h PRO 711 CO -0.41 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.02 2f57 h LEU 712 N 0.00 0.00 -9.87 2.35 3.38 -1.48 -3.47 115.31 106.22 2f57 h LEU 712 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2f57 h LEU 712 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2f57 h LEU 712 CO 0.00 0.30 0.43 -0.04 0.09 0.00 0.00 178.44 179.22 2f57 s MET 713 N -3.23 4.46 0.28 1.13 -1.94 -0.71 -4.85 119.30 114.45 2f57 s MET 713 Ca 0.04 1.64 0.03 0.00 -1.71 0.00 0.00 55.69 55.68 2f57 s MET 713 Cb 0.08 -2.92 0.66 0.00 2.01 0.00 0.00 34.83 34.66 2f57 s MET 713 CO 0.69 0.10 1.75 -0.09 -0.01 0.00 0.00 175.02 177.46 2f57 h ARG 714 N 3.28 0.60 0.00 2.03 2.43 -1.90 -3.51 114.38 117.31 2f57 h ARG 714 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2f57 h ARG 714 Cb 1.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2f57 h ARG 714 CO 0.65 0.40 0.00 1.04 -1.51 0.00 0.00 179.97 180.55