#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c4z s PRO 498 N 0.00 3.51 0.35 3.52 0.04 -1.26 -4.93 135.00 136.24 1c4z s PRO 498 Ca 0.00 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1c4z s PRO 498 Cb 0.00 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1c4z s PRO 498 CO 0.00 -0.52 0.00 0.66 0.04 0.00 0.00 177.00 177.18 1c4z n TYR 499 N -2.64 -2.57 0.02 0.56 0.53 -1.25 -4.84 117.16 106.96 1c4z n TYR 499 Ca 0.05 1.39 -0.06 0.00 -1.02 0.00 0.00 57.90 58.26 1c4z n TYR 499 Cb 0.55 -2.37 -0.04 0.00 -1.03 0.00 0.00 39.34 36.44 1c4z n TYR 499 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1c4z h LEU 500 N 0.19 -0.14 -2.82 7.72 6.46 -1.57 -3.47 115.31 121.67 1c4z h LEU 500 Ca 0.00 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1c4z h LEU 500 Cb 0.52 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1c4z h LEU 500 CO 0.00 0.43 -0.23 0.54 -0.62 0.00 0.00 178.44 178.55 1c4z n ARG 501 N -4.86 -0.77 -3.71 1.25 1.74 -1.22 -4.94 116.66 104.14 1c4z n ARG 501 Ca -0.04 1.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.66 1c4z n ARG 501 Cb 0.17 -1.88 -0.12 0.00 -1.02 0.00 0.00 32.46 29.60 1c4z n ARG 501 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1c4z s LEU 502 N -0.29 4.10 -0.35 0.55 1.43 -0.80 -5.00 118.68 118.32 1c4z s LEU 502 Ca -0.01 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 1c4z s LEU 502 Cb 0.00 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1c4z s LEU 502 CO 0.16 -0.24 0.18 -0.75 0.23 0.00 0.00 176.35 175.93 1c4z s LYS 503 N 1.53 2.90 0.39 1.70 2.20 -1.26 -0.29 119.74 126.90 1c4z s LYS 503 Ca 0.03 -1.02 0.05 0.00 -0.36 0.00 0.00 55.97 54.67 1c4z s LYS 503 Cb -0.18 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1c4z s LYS 503 CO 0.04 -0.63 0.20 0.14 -0.36 0.00 0.00 175.35 174.74 1c4z s VAL 504 N 1.54 0.30 -0.03 4.02 -7.23 0.23 -4.91 120.40 114.33 1c4z s VAL 504 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1c4z s VAL 504 Cb -0.19 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.39 1c4z s VAL 504 CO 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.81 1c4z s ARG 505 N -3.57 0.69 0.63 4.82 1.70 -1.26 0.19 118.95 122.14 1c4z s ARG 505 Ca 0.30 -0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 55.28 1c4z s ARG 505 Cb 0.02 -0.71 -0.06 0.00 -0.57 0.00 0.00 34.95 33.62 1c4z s ARG 505 CO 0.20 -0.04 0.58 0.54 -1.08 0.00 0.00 175.30 175.50 1c4z n ARG 506 N 3.82 0.48 -2.75 3.89 1.74 -1.26 -3.10 116.66 119.48 1c4z n ARG 506 Ca -0.23 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1c4z n ARG 506 Cb 0.52 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1c4z n ARG 506 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1c4z n ASP 507 N 0.06 -6.45 0.00 0.55 9.92 -1.26 -4.72 116.55 114.65 1c4z n ASP 507 Ca 0.11 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1c4z n ASP 507 Cb 0.48 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.58 1c4z n ASP 507 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1c4z n HIS 508 N -1.80 0.00 0.22 1.24 8.25 -1.18 -5.08 115.22 116.88 1c4z n HIS 508 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1c4z n HIS 508 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1c4z n HIS 508 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1c4z h ILE 509 N 0.00 0.00 -0.66 1.59 2.04 -1.83 -1.22 117.51 117.44 1c4z h ILE 509 Ca 0.00 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.89 1c4z h ILE 509 Cb 0.00 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.95 1c4z h ILE 509 CO 0.00 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.32 1c4z h ILE 510 N -0.66 0.25 0.85 -0.67 2.04 -1.98 0.10 117.51 117.44 1c4z h ILE 510 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1c4z h ILE 510 Cb 0.44 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1c4z h ILE 510 CO 0.10 0.00 -0.43 0.44 0.00 0.00 0.00 178.15 178.26 1c4z h ASP 511 N -0.06 -1.03 0.09 1.72 5.19 -1.97 -1.62 116.42 118.74 1c4z h ASP 511 Ca 0.30 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1c4z h ASP 511 Cb 0.53 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 1c4z h ASP 511 CO -0.70 -0.71 -0.12 0.44 -3.12 0.00 0.00 179.24 175.03 1c4z h ASP 512 N -1.17 0.06 -0.17 6.45 3.45 -1.02 -2.35 116.42 121.67 1c4z h ASP 512 Ca -0.11 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1c4z h ASP 512 Cb 0.91 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 1c4z h ASP 512 CO 0.17 0.19 0.08 0.00 -1.57 0.00 0.00 179.24 178.11 1c4z h ALA 513 N 1.82 0.22 0.01 3.45 0.00 -0.75 -0.20 119.26 123.82 1c4z h ALA 513 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c4z h ALA 513 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1c4z h ALA 513 CO 0.02 -0.21 -0.00 -0.07 0.00 0.00 0.00 179.25 178.98 1c4z h LEU 514 N 0.15 -0.01 0.13 0.00 3.38 -0.84 0.46 115.31 118.58 1c4z h LEU 514 Ca 0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1c4z h LEU 514 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1c4z h LEU 514 CO -0.01 0.01 -0.32 0.58 0.09 0.00 0.00 178.44 178.79 1c4z h VAL 515 N -0.02 0.31 0.21 1.22 2.07 -1.35 0.34 116.25 119.03 1c4z h VAL 515 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1c4z h VAL 515 Cb 0.02 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1c4z h VAL 515 CO 0.00 0.00 -0.24 -0.09 0.02 0.00 0.00 177.57 177.26 1c4z h ARG 516 N -0.55 -0.44 -0.93 1.57 9.65 -0.88 -2.72 114.38 120.08 1c4z h ARG 516 Ca 0.03 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.10 1c4z h ARG 516 Cb 0.58 0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.18 1c4z h ARG 516 CO -0.19 -0.29 0.60 -0.07 2.80 0.00 0.00 179.97 182.82 1c4z h LEU 517 N -0.46 0.68 0.33 3.80 3.38 -0.88 -1.58 115.31 120.58 1c4z h LEU 517 Ca -0.03 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c4z h LEU 517 Cb 0.40 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1c4z h LEU 517 CO -0.04 0.32 -0.47 -0.33 0.09 0.00 0.00 178.44 178.00 1c4z h GLU 518 N 0.71 -0.82 -0.25 1.13 5.08 -0.77 -1.48 114.58 118.18 1c4z h GLU 518 Ca 0.49 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.96 1c4z h GLU 518 Cb 0.79 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 1c4z h GLU 518 CO -0.24 -0.55 -0.15 0.52 -1.00 0.00 0.00 179.01 177.59 1c4z h MET 519 N -0.85 -0.12 -0.84 2.33 2.86 -1.00 -1.28 114.93 116.02 1c4z h MET 519 Ca -0.03 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.78 1c4z h MET 519 Cb 0.79 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 1c4z h MET 519 CO -0.15 -0.08 0.55 0.82 1.06 0.00 0.00 176.91 179.11 1c4z h ILE 520 N -0.13 0.79 0.31 -1.22 2.04 -1.21 -1.59 117.51 116.50 1c4z h ILE 520 Ca 0.14 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1c4z h ILE 520 Cb 0.33 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1c4z h ILE 520 CO -0.33 0.10 -0.15 0.00 0.00 0.00 0.00 178.15 177.78 1c4z h ALA 521 N 1.62 -0.41 -0.96 1.87 0.00 -0.17 -3.05 119.26 118.16 1c4z h ALA 521 Ca 0.43 -0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.42 1c4z h ALA 521 Cb 0.85 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.62 1c4z h ALA 521 CO -0.17 -0.57 0.06 1.98 0.00 0.00 0.00 179.25 180.54 1c4z h MET 522 N -0.73 0.03 -4.32 0.00 1.85 -0.59 -2.70 114.93 108.48 1c4z h MET 522 Ca -0.04 -0.00 -0.73 0.00 -0.61 0.00 0.00 59.70 58.31 1c4z h MET 522 Cb 0.49 -0.01 -0.25 0.00 0.43 0.00 0.00 31.60 32.27 1c4z h MET 522 CO 0.07 0.02 -0.36 -2.00 -0.40 0.00 0.00 176.91 174.24 1c4z s GLU 523 N -5.99 2.84 -0.38 0.39 2.12 -0.76 -4.77 118.70 112.14 1c4z s GLU 523 Ca -0.13 -1.46 -0.24 0.00 0.36 0.00 0.00 54.97 53.50 1c4z s GLU 523 Cb 0.28 -4.04 0.04 0.00 0.26 0.00 0.00 34.13 30.67 1c4z s GLU 523 CO 0.78 -1.06 0.51 -1.71 -0.54 0.00 0.00 175.26 173.24 1c4z n ASN 524 N 5.10 -6.62 0.29 -1.70 2.85 -1.22 -4.77 115.26 109.20 1c4z n ASN 524 Ca -0.12 0.26 0.18 0.00 -0.11 0.00 0.00 54.58 54.80 1c4z n ASN 524 Cb 0.43 -3.14 0.95 0.00 1.24 0.00 0.00 39.78 39.26 1c4z n ASN 524 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1c4z h PRO 525 N 2.32 0.00 -0.93 1.20 0.11 -1.62 -2.41 132.00 130.68 1c4z h PRO 525 Ca -0.28 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.11 1c4z h PRO 525 Cb 1.12 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1c4z h PRO 525 CO 0.18 0.00 0.35 0.00 -0.21 0.00 0.00 178.00 178.32 1c4z h ALA 526 N 1.70 1.53 -0.24 -0.75 0.00 -1.89 1.12 119.26 120.72 1c4z h ALA 526 Ca 0.03 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1c4z h ALA 526 Cb 0.41 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1c4z h ALA 526 CO -0.00 -0.53 0.53 -0.44 0.00 0.00 0.00 179.25 178.82 1c4z h ASP 527 N 0.23 0.00 0.00 0.00 5.19 -1.75 1.14 116.42 121.23 1c4z h ASP 527 Ca 0.63 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.04 1c4z h ASP 527 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1c4z h ASP 527 CO -0.66 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 175.64 1c4z n LEU 528 N -3.17 0.00 -0.50 1.55 4.77 0.39 -2.58 117.00 117.46 1c4z n LEU 528 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1c4z n LEU 528 Cb 0.64 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.86 1c4z n LEU 528 CO 0.18 0.00 0.60 0.29 -1.33 0.00 0.00 177.39 177.13 1c4z n LYS 529 N -0.80 2.88 -3.50 3.23 5.02 0.39 -4.92 118.16 120.46 1c4z n LYS 529 Ca 0.12 -1.97 -0.19 0.00 -2.02 0.00 0.00 58.31 54.24 1c4z n LYS 529 Cb 0.05 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 1c4z n LYS 529 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1c4z s LYS 530 N -1.12 3.01 0.15 1.97 1.02 -1.06 -5.03 119.74 118.67 1c4z s LYS 530 Ca 0.19 -1.09 -0.34 0.00 0.02 0.00 0.00 55.97 54.75 1c4z s LYS 530 Cb 0.11 -2.74 -0.13 0.00 -0.52 0.00 0.00 37.83 34.54 1c4z s LYS 530 CO 0.12 0.04 1.62 0.94 -0.92 0.00 0.00 175.35 177.14 1c4z n GLN 531 N -1.60 2.21 -2.51 1.68 7.27 -1.26 -4.49 117.38 118.68 1c4z n GLN 531 Ca 0.00 0.80 -0.42 0.00 0.07 0.00 0.00 57.00 57.45 1c4z n GLN 531 Cb 0.59 -2.58 -0.03 0.00 2.41 0.00 0.00 30.24 30.63 1c4z n GLN 531 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c4z s LEU 532 N 1.21 4.28 -0.20 1.69 2.96 -1.26 -1.78 118.68 125.58 1c4z s LEU 532 Ca 0.80 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.49 1c4z s LEU 532 Cb -0.66 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.51 1c4z s LEU 532 CO 0.38 -0.53 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.28 1c4z s TYR 533 N 2.03 2.61 -0.08 5.38 5.04 -1.26 -4.88 117.35 126.19 1c4z s TYR 533 Ca 0.54 -1.69 -0.08 0.00 -2.44 0.00 0.00 57.07 53.40 1c4z s TYR 533 Cb -0.24 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.29 1c4z s TYR 533 CO 0.22 -0.77 0.20 0.08 -1.34 0.00 0.00 175.55 173.94 1c4z s VAL 534 N 1.33 5.40 -0.10 3.14 1.01 -1.26 -1.90 120.40 128.03 1c4z s VAL 534 Ca -0.01 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 1c4z s VAL 534 Cb -0.16 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1c4z s VAL 534 CO -0.09 0.58 -0.06 -1.61 0.00 0.00 0.00 175.10 173.92 1c4z s GLU 535 N -1.14 1.30 -0.10 2.72 2.02 0.60 -4.59 118.70 119.50 1c4z s GLU 535 Ca 0.18 -0.17 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 1c4z s GLU 535 Cb -0.13 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1c4z s GLU 535 CO 0.07 -0.25 0.58 -0.06 0.02 0.00 0.00 175.26 175.62 1c4z s PHE 536 N 1.67 3.53 -0.09 1.61 0.40 -1.25 -0.60 117.98 123.26 1c4z s PHE 536 Ca 0.03 1.04 -0.29 0.00 -0.60 0.00 0.00 56.93 57.11 1c4z s PHE 536 Cb -0.13 -2.67 -0.07 0.00 0.51 0.00 0.00 43.02 40.66 1c4z s PHE 536 CO -0.06 0.11 2.07 -2.00 0.70 0.00 0.00 175.22 176.04 1c4z s GLU 537 N 0.78 3.66 0.00 0.44 2.12 0.49 -1.62 118.70 124.58 1c4z s GLU 537 Ca 0.31 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.95 1c4z s GLU 537 Cb -0.16 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 29.97 1c4z s GLU 537 CO 0.13 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.77 1c4z n GLY 538 N 5.11 0.88 2.89 -1.50 0.00 -1.26 -4.90 105.19 106.40 1c4z n GLY 538 Ca 0.24 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1c4z n GLY 538 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c4z s GLU 539 N -0.55 1.17 0.76 1.61 2.02 -0.64 -5.11 118.70 117.96 1c4z s GLU 539 Ca 0.00 -1.57 -0.14 0.00 0.02 0.00 0.00 54.97 53.28 1c4z s GLU 539 Cb 0.00 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.60 1c4z s GLU 539 CO 0.00 -0.97 1.19 -0.65 0.02 0.00 0.00 175.26 174.85 1c4z s GLN 540 N 1.15 1.99 0.00 1.61 -0.21 -1.26 -4.64 119.66 118.29 1c4z s GLN 540 Ca 0.11 1.71 0.00 0.00 0.02 0.00 0.00 55.36 57.20 1c4z s GLN 540 Cb -0.19 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.00 1c4z s GLN 540 CO -0.15 -1.93 0.00 0.41 -2.12 0.00 0.00 175.29 171.50 1c4z n GLY 541 N 0.30 -1.29 2.90 3.09 0.00 -1.26 -5.10 105.19 103.84 1c4z n GLY 541 Ca 0.13 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 1c4z n GLY 541 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c4z s VAL 542 N -1.58 0.58 -0.52 1.61 1.01 -1.26 -5.10 120.40 115.15 1c4z s VAL 542 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 1c4z s VAL 542 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1c4z s VAL 542 CO 0.00 0.23 1.04 -0.62 0.00 0.00 0.00 175.10 175.75 1c4z s ASP 543 N 0.87 6.48 -0.02 3.32 2.15 -1.26 -4.80 116.67 123.41 1c4z s ASP 543 Ca -0.12 0.08 0.19 0.00 0.43 0.00 0.00 52.55 53.13 1c4z s ASP 543 Cb -0.14 -2.49 0.56 0.00 -0.30 0.00 0.00 42.92 40.55 1c4z s ASP 543 CO 0.01 -1.24 1.47 -0.62 -0.17 0.00 0.00 175.17 174.61 1c4z n GLU 544 N 7.70 2.89 0.00 4.34 1.02 -1.26 -4.92 120.64 130.42 1c4z n GLU 544 Ca 0.07 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1c4z n GLU 544 Cb 0.48 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1c4z n GLU 544 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c4z n GLY 545 N 1.24 2.53 0.21 0.62 0.00 -1.26 -4.97 105.19 103.56 1c4z n GLY 545 Ca 0.21 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1c4z n GLY 545 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c4z h GLY 546 N 0.00 0.71 0.96 -0.02 0.00 -1.92 0.60 103.07 103.40 1c4z h GLY 546 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1c4z h GLY 546 CO 0.00 0.49 0.09 -2.08 0.00 0.00 0.00 176.54 175.03 1c4z h VAL 547 N 0.48 1.01 -0.67 4.60 2.07 -1.90 0.82 116.25 122.65 1c4z h VAL 547 Ca 0.10 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1c4z h VAL 547 Cb 0.48 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1c4z h VAL 547 CO 0.02 0.03 0.36 0.28 0.02 0.00 0.00 177.57 178.28 1c4z h SER 548 N 0.18 0.51 -0.53 0.57 0.02 -1.82 0.85 113.55 113.34 1c4z h SER 548 Ca 0.06 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1c4z h SER 548 Cb 0.00 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1c4z h SER 548 CO -0.03 0.32 0.30 0.50 -1.14 0.00 0.00 176.83 176.77 1c4z h LYS 549 N 0.65 0.73 0.19 3.45 3.64 0.18 -2.16 116.57 123.25 1c4z h LYS 549 Ca 0.31 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1c4z h LYS 549 Cb 0.24 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1c4z h LYS 549 CO -0.21 0.56 -0.28 1.49 -2.27 0.00 0.00 179.45 178.73 1c4z h GLU 550 N 0.70 -0.52 -0.93 1.90 4.81 0.20 -1.81 114.58 118.93 1c4z h GLU 550 Ca 0.19 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.55 1c4z h GLU 550 Cb 0.03 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.41 1c4z h GLU 550 CO -0.03 -0.35 -0.55 0.35 -0.73 0.00 0.00 179.01 177.70 1c4z h PHE 551 N -0.54 -1.72 -0.43 0.92 3.57 -0.57 -0.47 116.94 117.69 1c4z h PHE 551 Ca 0.01 0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1c4z h PHE 551 Cb 0.54 0.87 -0.09 0.00 2.79 0.00 0.00 35.95 40.06 1c4z h PHE 551 CO -0.22 -0.39 -0.33 0.74 -2.23 0.00 0.00 178.31 175.87 1c4z h PHE 552 N -0.05 -0.93 -0.38 0.41 0.04 -0.92 -1.44 116.94 113.67 1c4z h PHE 552 Ca 0.18 0.06 0.07 0.00 2.80 0.00 0.00 57.97 61.08 1c4z h PHE 552 Cb 0.47 0.47 -0.06 0.00 2.20 0.00 0.00 35.95 39.03 1c4z h PHE 552 CO -0.96 -0.39 0.01 1.96 -0.60 0.00 0.00 178.31 178.34 1c4z h GLN 553 N -0.24 0.12 0.22 1.51 4.20 -0.30 -0.91 115.11 119.71 1c4z h GLN 553 Ca 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1c4z h GLN 553 Cb 0.54 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1c4z h GLN 553 CO -0.56 0.08 -0.10 -0.07 -0.67 0.00 0.00 178.83 177.50 1c4z h LEU 554 N 0.12 -0.25 -0.18 1.46 3.38 -0.65 0.14 115.31 119.34 1c4z h LEU 554 Ca 0.19 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1c4z h LEU 554 Cb 0.26 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1c4z h LEU 554 CO -0.30 -0.10 0.04 0.58 0.09 0.00 0.00 178.44 178.75 1c4z h VAL 555 N -0.38 0.93 -0.81 1.22 2.07 -1.17 -0.11 116.25 118.00 1c4z h VAL 555 Ca -0.03 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1c4z h VAL 555 Cb 0.29 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1c4z h VAL 555 CO 0.05 0.02 0.47 0.58 0.02 0.00 0.00 177.57 178.71 1c4z h VAL 556 N 0.12 0.93 -0.07 2.57 2.07 -1.10 -1.73 116.25 119.04 1c4z h VAL 556 Ca 0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1c4z h VAL 556 Cb 0.07 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1c4z h VAL 556 CO -0.10 0.15 0.02 -0.08 0.02 0.00 0.00 177.57 177.57 1c4z h GLU 557 N 0.80 0.11 0.04 1.57 4.22 0.16 -2.79 114.58 118.69 1c4z h GLU 557 Ca 0.39 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.80 1c4z h GLU 557 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1c4z h GLU 557 CO -0.23 0.31 -0.02 1.49 -2.18 0.00 0.00 179.01 178.38 1c4z h GLU 558 N -0.11 -0.05 -0.95 1.92 4.81 -0.80 -3.05 114.58 116.35 1c4z h GLU 558 Ca 0.02 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1c4z h GLU 558 Cb 0.25 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1c4z h GLU 558 CO 0.00 0.15 0.59 0.82 -0.73 0.00 0.00 179.01 179.84 1c4z h ILE 559 N -0.25 0.98 -0.40 2.32 1.08 -1.38 -2.11 117.51 117.74 1c4z h ILE 559 Ca -0.01 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1c4z h ILE 559 Cb 0.22 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1c4z h ILE 559 CO 0.01 0.18 0.00 0.49 -0.69 0.00 0.00 178.15 178.14 1c4z n PHE 560 N -4.62 1.33 -3.34 1.37 3.01 -1.05 -4.50 117.46 109.66 1c4z n PHE 560 Ca 0.16 -0.47 -0.38 0.00 1.01 0.00 0.00 57.45 57.77 1c4z n PHE 560 Cb 0.27 -0.34 -0.06 0.00 -0.01 0.00 0.00 39.48 39.34 1c4z n PHE 560 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1c4z s ASN 561 N -0.57 6.73 0.40 4.37 3.84 -0.80 -4.96 114.94 123.95 1c4z s ASN 561 Ca 0.36 0.87 0.18 0.00 0.21 0.00 0.00 52.86 54.48 1c4z s ASN 561 Cb 0.27 -2.29 1.10 0.00 -0.55 0.00 0.00 41.25 39.78 1c4z s ASN 561 CO 0.12 0.07 1.77 -0.65 -2.79 0.00 0.00 177.10 175.62 1c4z h PRO 562 N 6.26 0.39 -0.88 0.43 0.11 -1.88 -2.70 132.00 133.74 1c4z h PRO 562 Ca -0.43 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 65.85 1c4z h PRO 562 Cb 1.19 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 32.04 1c4z h PRO 562 CO 0.73 0.26 -0.13 -0.25 -0.21 0.00 0.00 178.00 178.39 1c4z n ASP 563 N -4.63 -0.24 -0.18 -2.05 10.43 -1.26 0.20 116.55 118.82 1c4z n ASP 563 Ca 0.25 1.50 0.14 0.00 2.57 0.00 0.00 54.79 59.25 1c4z n ASP 563 Cb 0.87 -0.49 0.49 0.00 1.84 0.00 0.00 41.12 43.83 1c4z n ASP 563 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1c4z n ILE 564 N -5.37 0.00 -4.10 0.53 3.06 -1.02 -4.99 119.36 107.48 1c4z n ILE 564 Ca 0.16 -0.09 -0.32 0.00 -2.50 0.00 0.00 62.75 60.00 1c4z n ILE 564 Cb 0.52 0.15 -0.04 0.00 0.54 0.00 0.00 39.64 40.82 1c4z n ILE 564 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1c4z n GLY 565 N 1.31 -0.35 0.03 4.50 0.00 0.53 -4.88 105.19 106.33 1c4z n GLY 565 Ca 0.13 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1c4z n GLY 565 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1c4z n MET 566 N -4.57 0.68 -3.87 1.61 2.81 -1.26 -4.42 117.12 108.10 1c4z n MET 566 Ca -0.27 -0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.35 1c4z n MET 566 Cb 0.66 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.54 1c4z n MET 566 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1c4z s PHE 567 N -3.23 -0.02 0.11 2.03 0.40 -1.26 -2.33 117.98 113.67 1c4z s PHE 567 Ca -0.08 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1c4z s PHE 567 Cb 0.12 0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.61 1c4z s PHE 567 CO 0.85 -0.02 0.28 0.95 0.70 0.00 0.00 175.22 177.98 1c4z s THR 568 N -0.05 5.30 -0.01 0.64 -4.23 -0.73 -4.67 115.64 111.89 1c4z s THR 568 Ca -0.01 -0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1c4z s THR 568 Cb -0.01 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1c4z s THR 568 CO 0.00 0.05 -0.17 -0.47 -0.54 0.00 0.00 174.62 173.49 1c4z s TYR 569 N -1.62 2.60 -0.39 3.99 5.04 -1.26 -1.90 117.35 123.81 1c4z s TYR 569 Ca 0.37 -0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.76 1c4z s TYR 569 Cb -0.12 -1.55 0.11 0.00 0.35 0.00 0.00 41.96 40.75 1c4z s TYR 569 CO 0.27 0.19 0.17 0.34 -1.34 0.00 0.00 175.55 175.18 1c4z s ASP 570 N -1.01 5.12 0.31 4.32 3.68 -0.67 -4.98 116.67 123.44 1c4z s ASP 570 Ca 0.13 -2.09 0.02 0.00 2.13 0.00 0.00 52.55 52.74 1c4z s ASP 570 Cb -0.10 -1.77 0.76 0.00 -1.45 0.00 0.00 42.92 40.35 1c4z s ASP 570 CO 0.02 -0.49 1.58 -0.33 0.13 0.00 0.00 175.17 176.08 1c4z h GLU 571 N 7.90 0.02 -0.33 4.34 4.39 -1.98 0.42 114.58 129.34 1c4z h GLU 571 Ca -0.10 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1c4z h GLU 571 Cb 1.04 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.62 1c4z h GLU 571 CO 0.65 0.02 -0.05 1.03 -1.16 0.00 0.00 179.01 179.50 1c4z h SER 572 N 0.02 -0.24 0.00 1.42 0.87 -1.98 -3.28 113.55 110.37 1c4z h SER 572 Ca 0.60 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.25 1c4z h SER 572 Cb 1.24 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1c4z h SER 572 CO -0.89 -0.08 -0.92 0.35 -0.53 0.00 0.00 176.83 174.76 1c4z n THR 573 N -5.23 0.00 -3.40 2.23 -2.24 -0.35 -5.01 114.28 100.27 1c4z n THR 573 Ca 0.01 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1c4z n THR 573 Cb 0.18 0.83 0.09 0.00 -2.10 0.00 0.00 70.33 69.32 1c4z n THR 573 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1c4z n LYS 574 N -1.50 -6.58 -4.22 -0.78 5.02 0.13 -5.03 118.16 105.21 1c4z n LYS 574 Ca 0.02 0.82 -0.13 0.00 -2.02 0.00 0.00 58.31 56.99 1c4z n LYS 574 Cb 0.27 -5.75 -0.10 0.00 -0.02 0.00 0.00 35.03 29.43 1c4z n LYS 574 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1c4z s LEU 575 N -6.33 2.36 0.24 -0.35 1.43 -1.25 -4.82 118.68 109.98 1c4z s LEU 575 Ca 0.08 -1.08 0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1c4z s LEU 575 Cb -0.04 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 1c4z s LEU 575 CO 0.70 -0.47 -0.10 -0.36 0.23 0.00 0.00 176.35 176.35 1c4z s PHE 576 N -3.55 2.53 0.09 0.29 0.40 0.56 -1.66 117.98 116.63 1c4z s PHE 576 Ca 0.18 -0.26 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1c4z s PHE 576 Cb 0.05 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1c4z s PHE 576 CO 0.00 0.62 0.11 -0.46 0.70 0.00 0.00 175.22 176.19 1c4z s TRP 577 N -2.18 0.40 0.38 0.36 -0.11 -0.80 -4.10 118.94 112.89 1c4z s TRP 577 Ca 0.29 -0.85 -0.27 0.00 1.22 0.00 0.00 56.10 56.49 1c4z s TRP 577 Cb -0.07 -0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 31.59 1c4z s TRP 577 CO 0.17 -0.51 1.27 -0.06 -4.62 0.00 0.00 176.95 173.20 1c4z s PHE 578 N -3.92 2.94 -0.36 5.86 0.40 -1.26 -1.77 117.98 119.88 1c4z s PHE 578 Ca 0.10 1.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1c4z s PHE 578 Cb 0.06 -3.61 -0.01 0.00 0.51 0.00 0.00 43.02 39.98 1c4z s PHE 578 CO -0.08 -1.84 0.38 1.21 0.70 0.00 0.00 175.22 175.59 1c4z s ASN 579 N -0.76 6.19 0.58 1.36 3.84 -0.98 -4.73 114.94 120.44 1c4z s ASN 579 Ca 0.55 -0.30 0.36 0.00 0.21 0.00 0.00 52.86 53.68 1c4z s ASN 579 Cb -0.37 -2.20 1.68 0.00 -0.55 0.00 0.00 41.25 39.81 1c4z s ASN 579 CO 0.48 -0.38 2.10 -0.65 -2.79 0.00 0.00 177.10 175.86 1c4z h PRO 580 N 8.51 0.00 0.00 0.43 0.11 -1.91 -2.24 132.00 136.90 1c4z h PRO 580 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1c4z h PRO 580 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1c4z h PRO 580 CO 0.71 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.95 1c4z n SER 581 N -3.15 0.08 -4.56 -2.05 7.64 -1.26 -4.84 113.62 105.48 1c4z n SER 581 Ca -0.01 0.51 -0.41 0.00 1.01 0.00 0.00 58.87 59.97 1c4z n SER 581 Cb 0.23 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1c4z n SER 581 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1c4z n SER 582 N -1.58 2.70 -4.82 6.43 2.88 -0.85 -4.95 113.62 113.43 1c4z n SER 582 Ca 0.07 -0.09 -0.37 0.00 -1.33 0.00 0.00 58.87 57.15 1c4z n SER 582 Cb 0.34 -1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.21 1c4z n SER 582 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1c4z s PHE 583 N 9.95 3.63 -1.06 0.66 5.36 -1.26 -4.57 117.98 130.68 1c4z s PHE 583 Ca 1.01 0.76 -0.19 0.00 -0.96 0.00 0.00 56.93 57.56 1c4z s PHE 583 Cb -0.33 -2.20 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1c4z s PHE 583 CO 0.33 0.57 0.71 0.39 -1.46 0.00 0.00 175.22 175.76 1c4z n GLU 584 N 2.31 -1.01 -0.60 10.12 -0.58 -1.26 -4.92 120.64 124.70 1c4z n GLU 584 Ca -0.15 0.50 0.03 0.00 -0.42 0.00 0.00 57.16 57.12 1c4z n GLU 584 Cb 0.53 -3.39 0.05 0.00 -0.57 0.00 0.00 31.44 28.06 1c4z n GLU 584 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1c4z n THR 585 N -3.89 0.59 -0.28 2.62 -2.24 -1.26 -4.88 114.28 104.94 1c4z n THR 585 Ca -0.14 -0.94 0.06 0.00 -2.27 0.00 0.00 64.05 60.76 1c4z n THR 585 Cb 0.60 0.37 0.20 0.00 -2.10 0.00 0.00 70.33 69.40 1c4z n THR 585 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1c4z h GLU 586 N 0.26 0.55 0.20 -0.78 3.07 -1.94 -1.51 114.58 114.43 1c4z h GLU 586 Ca -0.04 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1c4z h GLU 586 Cb 1.37 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1c4z h GLU 586 CO 0.02 0.36 -0.10 0.78 -1.40 0.00 0.00 179.01 178.67 1c4z h GLY 587 N 0.56 -0.28 0.38 -3.84 0.00 -1.99 -1.48 103.07 96.42 1c4z h GLY 587 Ca 0.44 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.94 1c4z h GLY 587 CO -0.37 -0.10 0.02 1.46 0.00 0.00 0.00 176.54 177.55 1c4z h GLN 588 N -0.35 0.12 -0.84 4.80 7.50 -1.74 0.11 115.11 124.70 1c4z h GLN 588 Ca -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1c4z h GLN 588 Cb 0.27 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.74 1c4z h GLN 588 CO 0.05 0.08 0.48 0.74 -1.50 0.00 0.00 178.83 178.68 1c4z h PHE 589 N 0.13 1.13 -0.34 2.96 0.04 -1.27 -1.30 116.94 118.29 1c4z h PHE 589 Ca 0.20 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 1c4z h PHE 589 Cb 0.28 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1c4z h PHE 589 CO -0.26 0.77 -0.03 1.15 -0.60 0.00 0.00 178.31 179.35 1c4z h THR 590 N 1.16 1.21 0.70 -1.55 2.02 -0.34 -2.56 112.91 113.54 1c4z h THR 590 Ca 0.30 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1c4z h THR 590 Cb -0.00 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1c4z h THR 590 CO -0.05 0.29 -0.33 0.25 0.37 0.00 0.00 175.52 176.04 1c4z h LEU 591 N 0.52 -0.79 -2.59 2.58 5.85 0.34 0.50 115.31 121.73 1c4z h LEU 591 Ca 0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1c4z h LEU 591 Cb 0.37 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1c4z h LEU 591 CO 0.01 -0.50 -0.00 0.16 -0.34 0.00 0.00 178.44 177.78 1c4z h ILE 592 N -1.05 0.41 0.86 4.05 -0.00 -1.46 0.27 117.51 120.58 1c4z h ILE 592 Ca -0.10 -0.01 -0.04 0.00 -0.00 0.00 0.00 64.86 64.71 1c4z h ILE 592 Cb 0.74 1.01 0.01 0.00 -0.00 0.00 0.00 36.82 38.58 1c4z h ILE 592 CO 0.16 0.00 -0.41 1.23 -0.00 0.00 0.00 178.15 179.13 1c4z h GLY 593 N 0.01 -1.20 0.51 0.16 0.00 -0.97 0.37 103.07 101.96 1c4z h GLY 593 Ca -0.00 0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.88 1c4z h GLY 593 CO 0.00 -0.44 0.58 -2.22 0.00 0.00 0.00 176.54 174.47 1c4z h ILE 594 N -1.24 0.93 -0.13 2.60 2.04 0.23 -2.00 117.51 119.93 1c4z h ILE 594 Ca -0.12 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1c4z h ILE 594 Cb 0.89 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1c4z h ILE 594 CO 0.19 0.17 0.07 0.58 0.00 0.00 0.00 178.15 179.17 1c4z h VAL 595 N 0.95 1.09 -0.90 1.67 2.07 -0.24 -1.22 116.25 119.67 1c4z h VAL 595 Ca 0.46 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1c4z h VAL 595 Cb 0.42 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1c4z h VAL 595 CO -0.25 0.08 0.59 -0.07 0.02 0.00 0.00 177.57 177.93 1c4z h LEU 596 N 0.12 0.88 -0.39 2.57 4.07 0.43 -0.82 115.31 122.17 1c4z h LEU 596 Ca 0.05 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1c4z h LEU 596 Cb 0.06 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1c4z h LEU 596 CO -0.01 0.56 0.08 1.23 -1.08 0.00 0.00 178.44 179.21 1c4z h GLY 597 N 0.99 0.69 1.59 0.83 0.00 -1.04 -2.94 103.07 103.20 1c4z h GLY 597 Ca 0.39 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1c4z h GLY 597 CO -0.15 0.42 -0.01 1.41 0.00 0.00 0.00 176.54 178.20 1c4z h LEU 598 N 0.50 0.48 -1.14 3.11 3.38 -0.42 -2.45 115.31 118.77 1c4z h LEU 598 Ca 0.12 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1c4z h LEU 598 Cb 0.35 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1c4z h LEU 598 CO 0.01 0.56 0.59 0.00 0.09 0.00 0.00 178.44 179.68 1c4z h ALA 599 N 1.50 1.48 -0.32 1.53 0.00 -1.00 -0.53 119.26 121.92 1c4z h ALA 599 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1c4z h ALA 599 Cb 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1c4z h ALA 599 CO 0.01 0.41 -0.50 0.82 0.00 0.00 0.00 179.25 179.99 1c4z h ILE 600 N 1.07 1.27 0.00 0.00 2.04 -1.39 -1.43 117.51 119.08 1c4z h ILE 600 Ca 0.38 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1c4z h ILE 600 Cb 0.12 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1c4z h ILE 600 CO -0.13 0.55 0.00 -1.22 0.00 0.00 0.00 178.15 177.35 1c4z n TYR 601 N -4.02 0.00 -1.22 1.37 4.02 -0.75 -3.02 117.16 113.53 1c4z n TYR 601 Ca -0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.94 1c4z n TYR 601 Cb 0.60 -0.32 0.14 0.00 -0.02 0.00 0.00 39.34 39.74 1c4z n TYR 601 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1c4z n ASN 602 N -1.32 2.10 -4.36 7.72 4.13 -0.28 -4.87 115.26 118.38 1c4z n ASN 602 Ca 0.10 -3.15 -0.36 0.00 1.68 0.00 0.00 54.58 52.84 1c4z n ASN 602 Cb 0.20 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 37.94 1c4z n ASN 602 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1c4z n ASN 603 N -1.29 -1.21 -4.11 6.41 5.15 -1.09 -4.92 115.26 114.19 1c4z n ASN 603 Ca 0.16 -1.18 -0.34 0.00 -0.60 0.00 0.00 54.58 52.62 1c4z n ASN 603 Cb 0.66 -1.99 -0.14 0.00 -0.53 0.00 0.00 39.78 37.78 1c4z n ASN 603 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c4z s ILE 605 N 1.14 4.34 0.20 0.00 -4.36 -1.26 -4.53 121.20 116.73 1c4z s ILE 605 Ca -0.03 2.01 0.03 0.00 -0.26 0.00 0.00 60.65 62.39 1c4z s ILE 605 Cb -0.20 -4.28 -0.03 0.00 1.25 0.00 0.00 42.46 39.19 1c4z s ILE 605 CO -0.04 0.34 0.34 -0.76 0.24 0.00 0.00 174.94 175.07 1c4z s LEU 606 N -0.24 4.29 -1.17 0.37 1.43 0.15 -4.99 118.68 118.54 1c4z s LEU 606 Ca 0.46 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1c4z s LEU 606 Cb -0.25 -2.96 0.23 0.00 0.03 0.00 0.00 46.19 43.24 1c4z s LEU 606 CO 0.31 -0.02 2.03 -0.67 0.23 0.00 0.00 176.35 178.22 1c4z n ASP 607 N -0.91 7.43 -4.66 2.29 4.64 -1.26 -4.48 116.55 119.59 1c4z n ASP 607 Ca -0.07 -3.41 -0.33 0.00 -1.38 0.00 0.00 54.79 49.60 1c4z n ASP 607 Cb 0.55 -1.27 -0.09 0.00 -1.04 0.00 0.00 41.12 39.26 1c4z n ASP 607 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1c4z s VAL 608 N -2.65 4.05 -0.31 5.18 -7.23 -1.26 -5.07 120.40 113.11 1c4z s VAL 608 Ca 0.44 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1c4z s VAL 608 Cb 0.17 -2.78 0.10 0.00 0.56 0.00 0.00 36.38 34.43 1c4z s VAL 608 CO -0.09 0.42 0.06 -1.00 -0.31 0.00 0.00 175.10 174.19 1c4z s HIS 609 N -1.03 2.56 0.12 2.82 3.76 -1.26 -5.00 115.29 117.27 1c4z s HIS 609 Ca 0.18 -2.22 0.10 0.00 -0.15 0.00 0.00 55.06 52.97 1c4z s HIS 609 Cb -0.11 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 1c4z s HIS 609 CO 0.08 -0.89 -0.21 -0.06 -0.85 0.00 0.00 174.74 172.80 1c4z s PHE 610 N 1.32 2.44 0.62 1.40 2.99 -1.26 -0.32 117.98 125.17 1c4z s PHE 610 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 56.93 56.58 1c4z s PHE 610 Cb -0.18 -1.30 -0.03 0.00 0.00 0.00 0.00 43.02 41.51 1c4z s PHE 610 CO -0.17 0.37 1.04 -1.25 -0.00 0.00 0.00 175.22 175.22 1c4z s PRO 611 N -2.14 3.35 0.62 0.24 0.04 -1.26 -4.89 135.00 130.97 1c4z s PRO 611 Ca 0.17 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.47 1c4z s PRO 611 Cb -0.10 -2.04 1.44 0.00 0.04 0.00 0.00 34.50 33.84 1c4z s PRO 611 CO 0.09 -0.77 1.84 1.98 0.04 0.00 0.00 177.00 180.18 1c4z h MET 612 N -0.03 0.00 -0.48 4.56 4.05 -1.93 -2.07 114.93 119.02 1c4z h MET 612 Ca -0.45 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 1c4z h MET 612 Cb 1.20 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.98 1c4z h MET 612 CO 0.59 0.00 0.32 0.28 0.23 0.00 0.00 176.91 178.33 1c4z h VAL 613 N 0.00 1.00 -0.57 -5.77 2.07 -1.90 -2.37 116.25 108.71 1c4z h VAL 613 Ca 0.14 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1c4z h VAL 613 Cb 1.10 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1c4z h VAL 613 CO -0.00 0.09 0.27 0.58 0.02 0.00 0.00 177.57 178.53 1c4z h VAL 614 N 0.47 1.21 -0.04 2.57 2.07 -1.74 -0.58 116.25 120.21 1c4z h VAL 614 Ca 0.20 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1c4z h VAL 614 Cb 0.22 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1c4z h VAL 614 CO -0.05 0.24 -0.59 1.88 0.02 0.00 0.00 177.57 179.06 1c4z h TYR 615 N 0.77 0.15 -0.47 1.57 -1.99 -1.63 -1.74 116.97 113.63 1c4z h TYR 615 Ca 0.20 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.80 1c4z h TYR 615 Cb 0.12 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 1c4z h TYR 615 CO -0.00 0.68 0.04 0.00 -0.00 0.00 0.00 178.16 178.88 1c4z h ARG 616 N 0.09 0.80 -0.11 4.88 3.08 -0.93 -2.67 114.38 119.53 1c4z h ARG 616 Ca -0.01 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1c4z h ARG 616 Cb 1.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1c4z h ARG 616 CO 0.08 0.83 -0.22 0.87 -1.07 0.00 0.00 179.97 180.47 1c4z h LYS 617 N 0.66 0.18 -0.04 0.04 1.57 -0.91 -1.26 116.57 116.82 1c4z h LYS 617 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1c4z h LYS 617 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1c4z h LYS 617 CO 0.02 0.40 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.06 1c4z h LEU 618 N 0.17 0.06 -1.07 2.94 3.38 -0.99 0.28 115.31 120.08 1c4z h LEU 618 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1c4z h LEU 618 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1c4z h LEU 618 CO 0.03 0.23 0.00 0.23 0.09 0.00 0.00 178.44 179.03 1c4z n MET 619 N -4.31 1.69 0.00 1.13 2.81 -0.55 -4.91 117.12 112.98 1c4z n MET 619 Ca -0.02 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 1c4z n MET 619 Cb 0.25 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1c4z n MET 619 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c4z n GLY 620 N 1.05 1.41 3.71 3.03 0.00 0.09 -5.04 105.19 109.44 1c4z n GLY 620 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1c4z n GLY 620 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c4z s LYS 621 N -0.58 4.54 0.81 1.61 1.02 -0.74 -4.94 119.74 121.45 1c4z s LYS 621 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 1c4z s LYS 621 Cb 0.00 -3.44 0.08 0.00 -0.52 0.00 0.00 37.83 33.95 1c4z s LYS 621 CO 0.00 -0.09 1.09 0.15 -0.92 0.00 0.00 175.35 175.58 1c4z s LYS 622 N 1.05 1.91 0.65 1.68 1.02 -1.26 -3.23 119.74 121.55 1c4z s LYS 622 Ca 0.53 1.10 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 1c4z s LYS 622 Cb -0.22 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1c4z s LYS 622 CO 0.28 -1.87 1.04 0.20 -0.92 0.00 0.00 175.35 174.08 1c4z s GLY 623 N -3.35 1.66 0.26 -3.33 0.00 -1.26 -4.89 107.32 96.40 1c4z s GLY 623 Ca 0.62 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 1c4z s GLY 623 CO 0.56 0.23 0.28 -0.51 0.00 0.00 0.00 173.10 173.66 1c4z s THR 624 N -3.15 0.00 0.18 0.90 -4.23 -1.26 -4.74 115.64 103.34 1c4z s THR 624 Ca 0.56 -1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 1c4z s THR 624 Cb -0.12 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.40 1c4z s THR 624 CO 0.54 0.00 1.62 0.15 -0.54 0.00 0.00 174.62 176.39 1c4z h PHE 625 N 2.38 -0.59 -0.67 3.99 3.57 -1.90 0.10 116.94 123.83 1c4z h PHE 625 Ca -0.31 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1c4z h PHE 625 Cb 1.25 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1c4z h PHE 625 CO 0.78 -0.31 0.39 -0.09 -2.23 0.00 0.00 178.31 176.85 1c4z h ARG 626 N -0.12 0.90 -0.14 1.11 2.43 -2.01 -2.07 114.38 114.49 1c4z h ARG 626 Ca 0.23 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1c4z h ARG 626 Cb 0.48 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1c4z h ARG 626 CO -0.58 0.64 0.02 -0.44 -1.51 0.00 0.00 179.97 178.10 1c4z h ASP 627 N 0.92 0.17 -0.20 -3.80 3.32 -1.22 -1.76 116.42 113.84 1c4z h ASP 627 Ca 0.24 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.33 1c4z h ASP 627 Cb -0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1c4z h ASP 627 CO -0.04 0.20 0.17 -0.07 -1.72 0.00 0.00 179.24 177.77 1c4z h LEU 628 N 0.19 0.00 -0.92 1.55 3.38 -0.61 -2.65 115.31 116.26 1c4z h LEU 628 Ca 0.05 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.28 1c4z h LEU 628 Cb 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 1c4z h LEU 628 CO -0.00 0.00 0.33 1.23 0.09 0.00 0.00 178.44 180.09 1c4z h GLY 629 N 0.00 1.57 0.28 0.83 0.00 -1.39 -0.40 103.07 103.95 1c4z h GLY 629 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1c4z h GLY 629 CO -0.00 -0.41 -1.76 1.22 0.00 0.00 0.00 176.54 175.59 1c4z n ASP 630 N -5.18 0.24 0.01 0.19 10.43 -1.00 -3.82 116.55 117.42 1c4z n ASP 630 Ca 0.24 0.10 -0.18 0.00 2.57 0.00 0.00 54.79 57.52 1c4z n ASP 630 Cb 0.77 1.47 -0.14 0.00 1.84 0.00 0.00 41.12 45.06 1c4z n ASP 630 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1c4z h SER 631 N 0.00 0.33 -2.21 -2.24 4.64 -1.34 -3.43 113.55 109.30 1c4z h SER 631 Ca -0.05 -0.69 -0.58 0.00 -0.47 0.00 0.00 61.79 60.01 1c4z h SER 631 Cb 1.12 -0.11 -0.39 0.00 -0.31 0.00 0.00 62.40 62.71 1c4z h SER 631 CO 0.00 1.61 -1.00 1.41 -0.87 0.00 0.00 176.83 177.99 1c4z n HIS 632 N -3.38 -0.21 -0.12 4.77 8.25 -0.23 -4.97 115.22 119.33 1c4z n HIS 632 Ca -0.26 -3.52 -0.05 0.00 -0.26 0.00 0.00 57.72 53.63 1c4z n HIS 632 Cb 1.05 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 32.07 1c4z n HIS 632 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1c4z h PRO 633 N 4.75 0.12 -0.36 -0.41 0.11 -1.66 -1.12 132.00 133.44 1c4z h PRO 633 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1c4z h PRO 633 Cb 0.87 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1c4z h PRO 633 CO 0.46 0.08 0.19 -0.24 -0.21 0.00 0.00 178.00 178.27 1c4z h VAL 634 N 0.12 1.15 -0.15 3.15 3.04 -1.91 -1.29 116.25 120.35 1c4z h VAL 634 Ca 0.19 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1c4z h VAL 634 Cb 0.27 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 1c4z h VAL 634 CO -0.31 0.15 -0.04 0.25 -1.01 0.00 0.00 177.57 176.61 1c4z h LEU 635 N 0.45 0.20 -0.21 3.16 6.46 -1.87 -1.94 115.31 121.57 1c4z h LEU 635 Ca 0.12 -0.03 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 1c4z h LEU 635 Cb 0.07 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1c4z h LEU 635 CO -0.02 0.28 -0.60 0.22 -0.62 0.00 0.00 178.44 177.71 1c4z h TYR 636 N 0.22 1.00 -0.67 1.25 5.03 -0.66 -2.25 116.97 120.89 1c4z h TYR 636 Ca 0.05 -0.40 -0.00 0.00 2.58 0.00 0.00 58.73 60.96 1c4z h TYR 636 Cb 0.22 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1c4z h TYR 636 CO 0.00 1.21 0.40 1.96 -1.32 0.00 0.00 178.16 180.41 1c4z h GLN 637 N 0.50 0.91 0.84 1.82 1.08 -0.87 0.19 115.11 119.57 1c4z h GLN 637 Ca -0.02 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1c4z h GLN 637 Cb 1.22 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1c4z h GLN 637 CO 0.13 0.65 -0.40 0.77 -0.95 0.00 0.00 178.83 179.03 1c4z h SER 638 N 0.91 -0.95 -0.79 1.46 0.02 -1.32 -0.23 113.55 112.64 1c4z h SER 638 Ca 0.24 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1c4z h SER 638 Cb -0.02 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1c4z h SER 638 CO -0.04 -0.67 0.52 -0.07 -1.14 0.00 0.00 176.83 175.42 1c4z h LEU 639 N -1.14 0.64 -0.40 5.07 3.38 -1.23 0.54 115.31 122.17 1c4z h LEU 639 Ca -0.12 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1c4z h LEU 639 Cb 0.86 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1c4z h LEU 639 CO 0.19 0.37 -0.12 0.50 0.09 0.00 0.00 178.44 179.47 1c4z h LYS 640 N 0.70 0.79 0.00 1.13 3.64 -0.39 -1.55 116.57 120.89 1c4z h LYS 640 Ca 0.37 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1c4z h LYS 640 Cb 0.48 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1c4z h LYS 640 CO -0.14 0.93 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.40 1c4z h ASP 641 N 0.60 0.00 -0.03 4.20 3.45 0.21 0.49 116.42 125.34 1c4z h ASP 641 Ca 0.10 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 1c4z h ASP 641 Cb 0.65 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1c4z h ASP 641 CO 0.04 0.13 0.00 0.25 -1.57 0.00 0.00 179.24 178.10 1c4z h LEU 642 N 0.00 0.04 -0.91 1.55 6.46 0.04 -1.03 115.31 121.47 1c4z h LEU 642 Ca -0.00 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.37 1c4z h LEU 642 Cb 0.38 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1c4z h LEU 642 CO 0.02 0.31 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.70 1c4z h LEU 643 N -0.23 0.35 0.00 2.25 3.38 -0.88 -3.03 115.31 117.16 1c4z h LEU 643 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1c4z h LEU 643 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1c4z h LEU 643 CO 0.00 0.70 -0.12 -0.62 0.09 0.00 0.00 178.44 178.49 1c4z n GLU 644 N -4.05 0.09 -1.67 1.13 1.02 0.11 -4.94 120.64 112.34 1c4z n GLU 644 Ca -0.01 0.06 -0.44 0.00 -0.02 0.00 0.00 57.16 56.75 1c4z n GLU 644 Cb 0.47 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1c4z n GLU 644 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1c4z n TYR 645 N -1.75 2.12 -0.05 -0.32 9.36 -0.40 -4.92 117.16 121.20 1c4z n TYR 645 Ca 0.06 0.49 -0.21 0.00 3.32 0.00 0.00 57.90 61.56 1c4z n TYR 645 Cb 0.37 -2.43 -0.13 0.00 -0.63 0.00 0.00 39.34 36.52 1c4z n TYR 645 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1c4z n GLU 646 N 1.51 0.70 0.00 2.98 -0.58 -1.26 -4.99 120.64 119.01 1c4z n GLU 646 Ca 0.10 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1c4z n GLU 646 Cb 0.33 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1c4z n GLU 646 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c4z n GLY 647 N 1.97 -3.09 3.30 0.62 0.00 -1.26 -4.92 105.19 101.82 1c4z n GLY 647 Ca -0.37 -1.16 -0.46 0.00 0.00 0.00 0.00 46.02 44.04 1c4z n GLY 647 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c4z s ASN 648 N -1.92 6.48 0.14 1.61 3.84 -1.26 -4.97 114.94 118.86 1c4z s ASN 648 Ca 0.00 -2.50 -0.29 0.00 0.21 0.00 0.00 52.86 50.28 1c4z s ASN 648 Cb 0.00 -2.17 -0.07 0.00 -0.55 0.00 0.00 41.25 38.46 1c4z s ASN 648 CO 0.00 -0.61 1.50 0.58 -2.79 0.00 0.00 177.10 175.78 1c4z h VAL 649 N 5.09 0.00 -0.90 -5.21 2.07 -1.91 0.18 116.25 115.57 1c4z h VAL 649 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1c4z h VAL 649 Cb 1.05 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 1c4z h VAL 649 CO 0.81 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 178.76 1c4z h GLU 650 N -0.07 0.50 0.00 1.57 4.81 -1.89 -0.89 114.58 118.61 1c4z h GLU 650 Ca 0.13 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1c4z h GLU 650 Cb 0.41 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1c4z h GLU 650 CO -0.82 0.33 -1.45 -0.25 -0.73 0.00 0.00 179.01 176.09 1c4z n ASP 651 N -4.96 0.82 0.13 1.04 8.00 -0.84 -2.92 116.55 117.83 1c4z n ASP 651 Ca 0.21 0.36 0.06 0.00 0.71 0.00 0.00 54.79 56.13 1c4z n ASP 651 Cb 0.59 0.21 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1c4z n ASP 651 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1c4z h ASP 652 N 0.00 0.00 0.00 -2.24 5.19 -0.17 -3.40 116.42 115.79 1c4z h ASP 652 Ca -0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1c4z h ASP 652 Cb 1.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.10 1c4z h ASP 652 CO 0.04 0.31 -0.21 0.23 -3.12 0.00 0.00 179.24 176.50 1c4z n MET 653 N -3.02 3.27 -0.31 3.56 2.81 -0.38 -5.03 117.12 118.01 1c4z n MET 653 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1c4z n MET 653 Cb 0.68 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 1c4z n MET 653 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1c4z n MET 654 N -0.47 0.00 -4.47 0.03 1.56 -1.15 -4.95 117.12 107.68 1c4z n MET 654 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 1c4z n MET 654 Cb 0.00 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 1c4z n MET 654 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1c4z s ILE 655 N 0.00 1.74 0.42 1.12 -4.36 -1.26 -5.06 121.20 113.80 1c4z s ILE 655 Ca 0.00 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.30 1c4z s ILE 655 Cb 0.00 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 1c4z s ILE 655 CO 0.00 -0.22 0.11 0.35 0.24 0.00 0.00 174.94 175.42 1c4z n THR 656 N -0.67 0.00 0.78 8.37 -2.24 -1.26 -2.63 114.28 116.63 1c4z n THR 656 Ca -0.05 -2.34 0.08 0.00 -2.27 0.00 0.00 64.05 59.47 1c4z n THR 656 Cb 0.64 0.76 0.42 0.00 -2.10 0.00 0.00 70.33 70.05 1c4z n THR 656 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1c4z n PHE 657 N -0.98 0.00 -3.44 4.78 3.01 -1.18 -4.62 117.46 115.03 1c4z n PHE 657 Ca -0.09 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.02 1c4z n PHE 657 Cb 0.61 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.70 1c4z n PHE 657 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1c4z s GLN 658 N -2.64 3.89 0.18 -1.08 0.74 -1.25 -1.73 119.66 117.77 1c4z s GLN 658 Ca 0.15 0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.95 1c4z s GLN 658 Cb 0.11 -2.92 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 1c4z s GLN 658 CO 0.27 0.49 0.11 0.44 -0.55 0.00 0.00 175.29 176.05 1c4z n ILE 659 N 0.73 0.00 -3.82 -2.34 -5.35 0.03 -4.94 119.36 103.67 1c4z n ILE 659 Ca -0.06 -1.22 -0.12 0.00 -0.27 0.00 0.00 62.75 61.09 1c4z n ILE 659 Cb 0.52 0.54 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 1c4z n ILE 659 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1c4z s SER 660 N -2.22 -0.07 -0.15 7.28 1.04 -1.26 -0.79 113.70 117.54 1c4z s SER 660 Ca 0.16 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1c4z s SER 660 Cb 0.01 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1c4z s SER 660 CO 0.11 -0.41 0.00 -1.10 0.98 0.00 0.00 173.24 172.83 1c4z s GLN 661 N -1.41 0.82 0.38 4.02 -1.52 -1.00 -4.95 119.66 116.00 1c4z s GLN 661 Ca -0.14 -0.26 0.01 0.00 -1.95 0.00 0.00 55.36 53.02 1c4z s GLN 661 Cb -0.06 -1.71 -0.02 0.00 -0.22 0.00 0.00 33.01 31.00 1c4z s GLN 661 CO 0.03 -0.48 0.58 0.95 -0.25 0.00 0.00 175.29 176.11 1c4z s THR 662 N 1.85 4.63 -0.21 -0.19 -4.23 -1.26 -3.14 115.64 113.09 1c4z s THR 662 Ca 0.01 -0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.81 1c4z s THR 662 Cb -0.15 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 70.06 1c4z s THR 662 CO -0.07 -0.44 0.55 -1.81 -0.54 0.00 0.00 174.62 172.31 1c4z s ASP 663 N -4.11 -0.62 0.00 3.99 1.11 -1.26 -4.98 116.67 110.80 1c4z s ASP 663 Ca 0.43 1.14 0.00 0.00 0.18 0.00 0.00 52.55 54.30 1c4z s ASP 663 Cb -0.10 1.12 0.00 0.00 1.07 0.00 0.00 42.92 45.01 1c4z s ASP 663 CO 0.36 -0.20 0.00 0.18 1.18 0.00 0.00 175.17 176.69 1c4z n LEU 664 N 3.22 0.00 -1.98 1.23 4.32 -1.26 -3.81 117.00 118.72 1c4z n LEU 664 Ca -0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.80 1c4z n LEU 664 Cb 0.56 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.69 1c4z n LEU 664 CO 0.07 0.00 1.01 0.49 -1.22 0.00 0.00 177.39 177.74 1c4z n PHE 665 N 0.00 2.39 -3.23 -1.77 0.99 -1.26 -4.94 117.46 109.64 1c4z n PHE 665 Ca 0.00 -1.12 -0.16 0.00 -0.00 0.00 0.00 57.45 56.17 1c4z n PHE 665 Cb 0.00 -0.66 0.07 0.00 -1.00 0.00 0.00 39.48 37.89 1c4z n PHE 665 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1c4z n GLY 666 N -0.01 -0.19 3.05 1.37 0.00 -1.25 -4.99 105.19 103.17 1c4z n GLY 666 Ca 0.38 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 1c4z n GLY 666 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c4z s ASN 667 N -3.66 5.48 0.47 1.61 0.01 -1.26 -4.98 114.94 112.61 1c4z s ASN 667 Ca 0.22 -3.50 -0.24 0.00 -0.71 0.00 0.00 52.86 48.63 1c4z s ASN 667 Cb -0.10 -1.83 -0.07 0.00 0.41 0.00 0.00 41.25 39.66 1c4z s ASN 667 CO 0.57 -0.21 1.40 -2.16 -1.51 0.00 0.00 177.10 175.18 1c4z s PRO 668 N -1.00 3.56 0.10 -0.60 0.04 -1.26 -4.01 135.00 131.82 1c4z s PRO 668 Ca 0.24 2.34 0.10 0.00 0.04 0.00 0.00 61.00 63.72 1c4z s PRO 668 Cb -0.11 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1c4z s PRO 668 CO -0.10 -0.89 -0.27 1.41 0.04 0.00 0.00 177.00 177.19 1c4z s MET 669 N -2.56 1.54 -0.04 4.56 1.75 -1.19 -4.97 119.30 118.39 1c4z s MET 669 Ca 0.64 -1.27 -0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1c4z s MET 669 Cb -0.42 -1.93 -0.04 0.00 2.84 0.00 0.00 34.83 35.28 1c4z s MET 669 CO 0.53 0.47 0.14 -1.64 -0.65 0.00 0.00 175.02 173.87 1c4z s MET 670 N -1.79 3.33 -0.02 4.11 -1.94 -1.26 -2.37 119.30 119.36 1c4z s MET 670 Ca 0.13 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.82 1c4z s MET 670 Cb -0.10 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.70 1c4z s MET 670 CO 0.05 0.70 -0.09 -0.47 -0.01 0.00 0.00 175.02 175.20 1c4z s TYR 671 N -1.20 0.92 -0.43 -0.03 5.04 0.03 -4.98 117.35 116.70 1c4z s TYR 671 Ca 0.23 -0.23 -0.16 0.00 -2.44 0.00 0.00 57.07 54.47 1c4z s TYR 671 Cb -0.12 -0.66 0.03 0.00 0.35 0.00 0.00 41.96 41.56 1c4z s TYR 671 CO 0.13 -0.09 0.39 -0.51 -1.34 0.00 0.00 175.55 174.13 1c4z s ASP 672 N 0.18 6.16 0.33 4.32 -0.00 -1.26 -0.79 116.67 125.61 1c4z s ASP 672 Ca -0.03 -0.83 0.25 0.00 -0.00 0.00 0.00 52.55 51.95 1c4z s ASP 672 Cb -0.08 -2.20 1.14 0.00 -0.00 0.00 0.00 42.92 41.78 1c4z s ASP 672 CO 0.00 -0.56 1.77 -0.07 -0.00 0.00 0.00 175.17 176.31 1c4z h LEU 673 N 8.91 0.00 -8.52 1.23 3.38 -1.70 -3.44 115.31 115.17 1c4z h LEU 673 Ca -0.27 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 1c4z h LEU 673 Cb 1.11 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1c4z h LEU 673 CO 0.79 0.00 -0.36 -0.75 0.09 0.00 0.00 178.44 178.20 1c4z s LYS 674 N -3.45 1.53 0.00 1.13 2.20 -1.26 -5.02 119.74 114.87 1c4z s LYS 674 Ca 0.02 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1c4z s LYS 674 Cb 0.09 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1c4z s LYS 674 CO 0.37 -0.59 0.32 -1.91 -0.36 0.00 0.00 175.35 173.18 1c4z n GLU 675 N -0.41 0.00 -2.89 4.03 4.07 -1.26 -3.17 120.64 121.01 1c4z n GLU 675 Ca 0.01 0.27 -0.39 0.00 -0.06 0.00 0.00 57.16 56.99 1c4z n GLU 675 Cb 0.63 -0.82 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 1c4z n GLU 675 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1c4z n ASN 676 N -0.58 6.42 -0.32 4.31 4.13 -1.26 -4.83 115.26 123.13 1c4z n ASN 676 Ca 0.00 -3.55 0.18 0.00 1.68 0.00 0.00 54.58 52.89 1c4z n ASN 676 Cb 0.00 -1.12 0.38 0.00 -1.54 0.00 0.00 39.78 37.50 1c4z n ASN 676 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1c4z h GLY 677 N 4.63 1.68 -0.90 7.41 0.00 -1.86 -1.61 103.07 112.41 1c4z h GLY 677 Ca 0.33 -0.11 0.18 0.00 0.00 0.00 0.00 47.33 47.72 1c4z h GLY 677 CO 1.19 -0.44 -0.24 1.22 0.00 0.00 0.00 176.54 178.27 1c4z n ASP 678 N -5.17 -0.35 -0.02 0.19 9.92 -1.26 -3.10 116.55 116.77 1c4z n ASP 678 Ca 0.26 1.56 -0.01 0.00 -0.53 0.00 0.00 54.79 56.07 1c4z n ASP 678 Cb 0.83 -0.46 -0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1c4z n ASP 678 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1c4z h LYS 679 N 0.00 0.00 -4.42 -1.24 3.64 -1.72 -3.46 116.57 109.38 1c4z h LYS 679 Ca 0.43 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 59.33 1c4z h LYS 679 Cb 0.65 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 1c4z h LYS 679 CO -0.93 0.00 1.40 1.51 -2.27 0.00 0.00 179.45 179.16 1c4z n ILE 680 N -2.98 0.00 -2.73 2.00 3.06 -1.18 -4.86 119.36 112.68 1c4z n ILE 680 Ca -0.01 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.84 1c4z n ILE 680 Cb 0.03 -0.42 -0.06 0.00 0.54 0.00 0.00 39.64 39.73 1c4z n ILE 680 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1c4z s PRO 681 N 7.01 4.83 -0.04 9.51 0.02 -1.26 -3.08 135.00 151.99 1c4z s PRO 681 Ca 1.12 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.34 1c4z s PRO 681 Cb -1.11 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 30.10 1c4z s PRO 681 CO 0.45 0.46 1.05 0.42 -0.33 0.00 0.00 177.00 179.04 1c4z s ILE 682 N -1.02 4.66 0.06 2.83 1.01 -1.08 -4.97 121.20 122.69 1c4z s ILE 682 Ca 0.42 1.92 0.01 0.00 0.00 0.00 0.00 60.65 63.00 1c4z s ILE 682 Cb -0.26 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 37.97 1c4z s ILE 682 CO 0.32 0.07 0.02 0.35 0.00 0.00 0.00 174.94 175.70 1c4z n THR 683 N 4.26 0.00 0.47 2.92 -2.24 -1.26 -3.49 114.28 114.93 1c4z n THR 683 Ca 0.08 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1c4z n THR 683 Cb 0.49 0.12 0.43 0.00 -2.10 0.00 0.00 70.33 69.27 1c4z n THR 683 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1c4z h ASN 684 N 0.24 0.00 0.83 3.42 -0.26 -1.96 -1.33 115.58 116.52 1c4z h ASN 684 Ca -0.05 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 1c4z h ASN 684 Cb 0.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1c4z h ASN 684 CO 0.08 0.00 -1.18 -0.62 -1.06 0.00 0.00 177.43 174.65 1c4z n GLU 685 N -2.46 0.61 0.00 0.81 4.71 -1.26 -4.27 120.64 118.79 1c4z n GLU 685 Ca 0.04 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1c4z n GLU 685 Cb 0.37 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1c4z n GLU 685 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1c4z n ASN 686 N -2.63 1.50 -0.21 1.62 0.23 -1.19 -4.75 115.26 109.84 1c4z n ASN 686 Ca -0.01 -1.62 0.01 0.00 -0.53 0.00 0.00 54.58 52.42 1c4z n ASN 686 Cb 0.57 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.52 1c4z n ASN 686 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1c4z h ARG 687 N 0.00 0.97 -0.25 -3.83 0.11 -1.42 -2.27 114.38 107.69 1c4z h ARG 687 Ca 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 1c4z h ARG 687 Cb 0.41 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1c4z h ARG 687 CO 0.00 0.65 0.13 0.87 0.10 0.00 0.00 179.97 181.71 1c4z h LYS 688 N 1.00 0.36 -0.17 0.08 1.57 -1.86 -1.29 116.57 116.25 1c4z h LYS 688 Ca 0.27 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1c4z h LYS 688 Cb -0.11 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1c4z h LYS 688 CO -0.06 0.35 -0.05 1.49 -0.57 0.00 0.00 179.45 180.61 1c4z h GLU 689 N 0.28 -0.02 -0.66 3.15 4.81 -1.83 -0.90 114.58 119.42 1c4z h GLU 689 Ca 0.09 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 1c4z h GLU 689 Cb 0.10 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.39 1c4z h GLU 689 CO -0.01 -0.01 0.11 0.35 -0.73 0.00 0.00 179.01 178.72 1c4z h PHE 690 N -0.02 0.16 -0.65 0.92 3.57 -1.18 -0.41 116.94 119.33 1c4z h PHE 690 Ca 0.09 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1c4z h PHE 690 Cb 0.15 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1c4z h PHE 690 CO -0.21 -0.09 0.09 0.28 -2.23 0.00 0.00 178.31 176.15 1c4z h VAL 691 N 0.22 1.26 0.26 1.41 2.07 -0.49 -0.56 116.25 120.43 1c4z h VAL 691 Ca 0.36 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1c4z h VAL 691 Cb 0.58 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1c4z h VAL 691 CO -0.48 0.39 -0.13 0.78 0.02 0.00 0.00 177.57 178.15 1c4z h ASN 692 N 1.01 -0.30 -0.75 0.57 2.35 -0.08 0.61 115.58 119.00 1c4z h ASN 692 Ca 0.20 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1c4z h ASN 692 Cb 0.45 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 1c4z h ASN 692 CO 0.02 -0.12 0.48 -0.07 -1.65 0.00 0.00 177.43 176.09 1c4z h LEU 693 N -0.46 0.81 -0.90 1.61 3.38 -1.00 -0.36 115.31 118.38 1c4z h LEU 693 Ca -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1c4z h LEU 693 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1c4z h LEU 693 CO 0.06 0.57 -0.28 0.22 0.09 0.00 0.00 178.44 179.11 1c4z h TYR 694 N 0.96 0.55 -0.33 1.13 -0.00 -1.01 -0.25 116.97 118.02 1c4z h TYR 694 Ca 0.29 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.73 58.79 1c4z h TYR 694 Cb -0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 36.55 1c4z h TYR 694 CO -0.03 0.71 -0.21 0.77 -0.00 0.00 0.00 178.16 179.41 1c4z h SER 695 N 0.42 0.75 0.83 -2.11 0.02 -0.29 -3.24 113.55 109.94 1c4z h SER 695 Ca 0.06 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1c4z h SER 695 Cb 0.70 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1c4z h SER 695 CO 0.05 1.01 -0.48 -0.78 -1.14 0.00 0.00 176.83 175.50 1c4z h ASP 696 N 0.49 -1.18 -4.01 3.07 3.58 -0.80 -2.96 116.42 114.61 1c4z h ASP 696 Ca 0.07 0.06 -0.53 0.00 0.42 0.00 0.00 57.03 57.05 1c4z h ASP 696 Cb 0.76 0.34 0.10 0.00 1.72 0.00 0.00 39.33 42.24 1c4z h ASP 696 CO 0.06 -0.75 0.57 -0.47 -2.88 0.00 0.00 179.24 175.77 1c4z s TYR 697 N -5.96 2.60 0.00 0.28 5.04 -0.13 -0.56 117.35 118.61 1c4z s TYR 697 Ca -0.19 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 1c4z s TYR 697 Cb 0.03 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.70 1c4z s TYR 697 CO 0.60 -2.27 0.00 -0.89 -1.34 0.00 0.00 175.55 171.65 1c4z n ILE 698 N -0.58 0.00 0.00 3.14 2.08 -1.26 -4.65 119.36 118.10 1c4z n ILE 698 Ca 0.08 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.31 1c4z n ILE 698 Cb 0.46 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.22 1c4z n ILE 698 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1c4z h LEU 699 N 0.00 0.00 0.00 1.39 -0.00 -1.38 -3.42 115.31 111.90 1c4z h LEU 699 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1c4z h LEU 699 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1c4z h LEU 699 CO 0.00 0.96 -0.29 0.59 -0.00 0.00 0.00 178.44 179.70 1c4z n ASN 700 N -3.10 0.98 0.23 -0.43 3.02 0.27 -4.79 115.26 111.44 1c4z n ASN 700 Ca -0.12 0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.41 1c4z n ASN 700 Cb 1.00 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 39.78 1c4z n ASN 700 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1c4z h LYS 701 N -0.08 -0.53 0.00 3.52 1.57 -1.84 -2.76 116.57 116.45 1c4z h LYS 701 Ca -0.01 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1c4z h LYS 701 Cb 0.28 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1c4z h LYS 701 CO -0.01 -0.27 -0.02 0.66 -0.57 0.00 0.00 179.45 179.25 1c4z h SER 702 N -0.71 0.00 -0.05 0.86 4.64 -1.83 -2.49 113.55 113.98 1c4z h SER 702 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1c4z h SER 702 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1c4z h SER 702 CO 0.09 0.02 -0.04 1.33 -0.87 0.00 0.00 176.83 177.36 1c4z n VAL 703 N -3.67 1.99 0.00 0.95 0.24 -1.24 -4.60 118.33 112.00 1c4z n VAL 703 Ca -0.03 -2.29 0.00 0.00 -2.04 0.00 0.00 64.34 59.99 1c4z n VAL 703 Cb 0.10 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1c4z n VAL 703 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1c4z n GLU 704 N -1.27 0.00 -0.32 7.34 2.13 -0.94 -1.37 120.64 126.21 1c4z n GLU 704 Ca 0.17 0.57 0.01 0.00 0.66 0.00 0.00 57.16 58.57 1c4z n GLU 704 Cb 0.69 -1.32 0.06 0.00 0.27 0.00 0.00 31.44 31.14 1c4z n GLU 704 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1c4z n LYS 705 N -1.86 -0.16 -0.03 5.31 4.76 -1.26 -0.53 118.16 124.38 1c4z n LYS 705 Ca 0.00 1.32 -0.12 0.00 -2.87 0.00 0.00 58.31 56.64 1c4z n LYS 705 Cb 0.00 -1.96 0.02 0.00 -1.84 0.00 0.00 35.03 31.25 1c4z n LYS 705 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1c4z h GLN 706 N 0.00 0.68 -0.07 1.97 -0.00 -1.93 -2.78 115.11 112.98 1c4z h GLN 706 Ca 0.33 -0.43 -0.16 0.00 -0.00 0.00 0.00 58.65 58.39 1c4z h GLN 706 Cb 0.54 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 1c4z h GLN 706 CO -0.85 1.05 -0.65 0.35 -0.00 0.00 0.00 178.83 178.72 1c4z h PHE 707 N 0.52 0.35 -0.39 0.06 3.57 0.13 -2.21 116.94 118.96 1c4z h PHE 707 Ca 0.01 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.26 1c4z h PHE 707 Cb 1.12 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1c4z h PHE 707 CO 0.06 0.84 -0.19 -0.22 -2.23 0.00 0.00 178.31 176.57 1c4z h LYS 708 N 0.19 0.75 -0.29 1.11 3.64 -0.82 0.32 116.57 121.48 1c4z h LYS 708 Ca -0.01 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1c4z h LYS 708 Cb 1.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1c4z h LYS 708 CO 0.10 0.89 -0.01 0.00 -2.27 0.00 0.00 179.45 178.16 1c4z h ALA 709 N 1.12 0.39 0.04 5.00 0.00 -1.38 0.96 119.26 125.39 1c4z h ALA 709 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1c4z h ALA 709 Cb 0.68 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1c4z h ALA 709 CO 0.05 0.15 -0.36 0.35 0.00 0.00 0.00 179.25 179.44 1c4z h PHE 710 N 0.30 -1.00 -0.63 0.00 -0.00 -0.98 0.13 116.94 114.76 1c4z h PHE 710 Ca 0.08 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 58.06 1c4z h PHE 710 Cb 0.45 0.43 -0.03 0.00 -0.00 0.00 0.00 35.95 36.80 1c4z h PHE 710 CO 0.04 -0.45 0.31 -0.09 -0.00 0.00 0.00 178.31 178.12 1c4z h ARG 711 N -0.54 0.89 -0.64 1.11 2.43 -0.21 -0.20 114.38 117.23 1c4z h ARG 711 Ca 0.05 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1c4z h ARG 711 Cb 0.61 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1c4z h ARG 711 CO -0.26 0.68 0.32 -0.09 -1.51 0.00 0.00 179.97 179.11 1c4z h ARG 712 N 0.89 0.91 -0.29 0.20 2.43 0.04 0.29 114.38 118.84 1c4z h ARG 712 Ca 0.22 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1c4z h ARG 712 Cb 0.07 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1c4z h ARG 712 CO -0.03 0.71 0.05 0.78 -1.51 0.00 0.00 179.97 179.97 1c4z h GLY 713 N 0.88 0.52 0.86 2.80 0.00 -0.15 -0.94 103.07 107.04 1c4z h GLY 713 Ca 0.22 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1c4z h GLY 713 CO -0.03 0.32 0.18 -2.75 0.00 0.00 0.00 176.54 174.27 1c4z h PHE 714 N 0.30 0.34 0.00 5.60 3.57 -0.78 -2.76 116.94 123.21 1c4z h PHE 714 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1c4z h PHE 714 Cb 0.34 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1c4z h PHE 714 CO 0.02 0.19 -0.14 1.25 -2.23 0.00 0.00 178.31 177.40 1c4z h HIS 715 N 0.38 0.00 0.00 0.41 2.76 -0.72 -2.42 115.15 115.56 1c4z h HIS 715 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1c4z h HIS 715 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1c4z h HIS 715 CO -0.09 0.14 0.00 0.52 -1.30 0.00 0.00 177.93 177.20 1c4z h MET 716 N 0.00 0.00 0.00 5.26 2.86 -0.87 -2.00 114.93 120.18 1c4z h MET 716 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1c4z h MET 716 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1c4z h MET 716 CO 0.02 0.00 -0.48 0.28 1.06 0.00 0.00 176.91 177.79 1c4z n VAL 717 N -2.29 0.00 0.98 -2.22 0.31 -1.01 -4.75 118.33 109.34 1c4z n VAL 717 Ca -0.01 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1c4z n VAL 717 Cb 0.08 0.76 -0.00 0.00 -0.91 0.00 0.00 33.84 33.77 1c4z n VAL 717 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1c4z n THR 718 N -1.24 0.00 -0.28 2.52 -1.04 -0.80 -4.94 114.28 108.50 1c4z n THR 718 Ca 0.00 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.43 1c4z n THR 718 Cb 0.00 1.26 0.29 0.00 -1.82 0.00 0.00 70.33 70.06 1c4z n THR 718 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1c4z n ASN 719 N 0.03 -3.69 0.00 8.00 0.23 -0.89 -3.22 115.26 115.71 1c4z n ASN 719 Ca 0.09 -0.72 0.00 0.00 -0.53 0.00 0.00 54.58 53.42 1c4z n ASN 719 Cb 0.46 -1.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.11 1c4z n ASN 719 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1c4z n GLU 720 N -5.59 0.00 -3.37 -3.83 1.02 -1.26 -4.21 120.64 103.40 1c4z n GLU 720 Ca 0.11 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1c4z n GLU 720 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 1c4z n GLU 720 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1c4z n SER 721 N 2.67 4.43 -3.28 1.62 3.41 -1.26 -5.07 113.62 116.15 1c4z n SER 721 Ca 0.00 -3.39 -0.31 0.00 -0.26 0.00 0.00 58.87 54.91 1c4z n SER 721 Cb 0.00 -0.86 0.29 0.00 -0.26 0.00 0.00 64.21 63.38 1c4z n SER 721 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1c4z s PRO 722 N -2.39 -3.26 0.48 4.33 0.04 -1.20 -4.91 135.00 128.09 1c4z s PRO 722 Ca 0.36 0.05 0.27 0.00 0.04 0.00 0.00 61.00 61.72 1c4z s PRO 722 Cb 0.09 -1.35 0.95 0.00 0.04 0.00 0.00 34.50 34.23 1c4z s PRO 722 CO -0.00 -5.07 1.83 -0.07 0.04 0.00 0.00 177.00 173.72 1c4z h LEU 723 N -3.56 0.00-10.23 -3.56 -0.00 -1.96 -3.42 115.31 92.58 1c4z h LEU 723 Ca -0.41 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 56.99 1c4z h LEU 723 Cb 1.34 0.00 0.20 0.00 -0.00 0.00 0.00 40.66 42.20 1c4z h LEU 723 CO 0.25 0.11 0.15 -0.75 -0.00 0.00 0.00 178.44 178.20 1c4z s LYS 724 N -3.53 0.37 0.00 1.13 2.20 -1.26 -1.80 119.74 116.84 1c4z s LYS 724 Ca 0.02 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1c4z s LYS 724 Cb 0.09 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1c4z s LYS 724 CO 0.61 -2.96 0.00 0.66 -0.36 0.00 0.00 175.35 173.30 1c4z n TYR 725 N -4.43 0.00 -3.65 4.03 0.53 -1.26 -4.99 117.16 107.39 1c4z n TYR 725 Ca 0.08 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.78 1c4z n TYR 725 Cb 0.53 -0.10 -0.16 0.00 -1.03 0.00 0.00 39.34 38.58 1c4z n TYR 725 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1c4z s LEU 726 N 0.00 -0.03 0.00 7.72 1.43 -0.75 -5.10 118.68 121.96 1c4z s LEU 726 Ca 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1c4z s LEU 726 Cb 0.00 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.42 1c4z s LEU 726 CO 0.00 -0.26 0.41 0.49 0.23 0.00 0.00 176.35 177.22 1c4z n PHE 727 N 5.32 0.00 -3.11 0.29 3.72 -1.26 -4.89 117.46 117.52 1c4z n PHE 727 Ca -0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 1c4z n PHE 727 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1c4z n PHE 727 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1c4z s ARG 728 N -0.82 3.53 0.50 -1.08 3.03 -1.26 -5.01 118.95 117.84 1c4z s ARG 728 Ca 0.00 -0.08 0.14 0.00 2.03 0.00 0.00 55.73 57.82 1c4z s ARG 728 Cb 0.00 -2.56 1.18 0.00 -1.03 0.00 0.00 34.95 32.54 1c4z s ARG 728 CO 0.00 0.04 2.12 -1.35 -1.13 0.00 0.00 175.30 174.98 1c4z h PRO 729 N 0.74 0.09 -0.19 3.89 0.11 -1.90 -2.27 132.00 132.47 1c4z h PRO 729 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1c4z h PRO 729 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c4z h PRO 729 CO 0.62 0.07 0.29 0.93 -0.21 0.00 0.00 178.00 179.71 1c4z h GLU 730 N 0.10 0.00 -0.16 1.05 3.07 -1.94 0.40 114.58 117.09 1c4z h GLU 730 Ca 0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1c4z h GLU 730 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1c4z h GLU 730 CO -0.00 0.00 -0.36 0.93 -1.40 0.00 0.00 179.01 178.18 1c4z h GLU 731 N 0.00 0.33 0.06 2.33 5.08 -1.82 -1.76 114.58 118.80 1c4z h GLU 731 Ca 0.09 -0.15 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 1c4z h GLU 731 Cb 0.67 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1c4z h GLU 731 CO -0.00 0.65 -1.06 0.82 -1.00 0.00 0.00 179.01 178.42 1c4z h ILE 732 N 0.28 1.45 -0.44 3.13 2.04 -0.40 -3.02 117.51 120.56 1c4z h ILE 732 Ca 0.03 -2.73 -0.04 0.00 1.00 0.00 0.00 64.86 63.13 1c4z h ILE 732 Cb 0.77 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1c4z h ILE 732 CO 0.06 0.80 0.13 -0.08 0.00 0.00 0.00 178.15 179.06 1c4z h GLU 733 N 0.15 0.69 -0.04 2.37 4.81 -1.32 -2.40 114.58 118.84 1c4z h GLU 733 Ca -0.10 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1c4z h GLU 733 Cb 1.73 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.01 1c4z h GLU 733 CO 0.18 0.68 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.99 1c4z h LEU 734 N 0.57 0.05 -0.52 1.64 3.38 -1.36 0.44 115.31 119.51 1c4z h LEU 734 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1c4z h LEU 734 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1c4z h LEU 734 CO -0.00 0.14 -0.32 -0.07 0.09 0.00 0.00 178.44 178.28 1c4z h LEU 735 N 0.06 0.00 0.00 1.67 3.38 -1.32 -1.45 115.31 117.64 1c4z h LEU 735 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1c4z h LEU 735 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1c4z h LEU 735 CO 0.01 0.32 -2.16 -0.38 0.09 0.00 0.00 178.44 176.32 1c4z n ILE 736 N -3.29 1.37 0.21 1.22 5.41 -0.64 -4.60 119.36 119.04 1c4z n ILE 736 Ca 0.01 -0.82 0.06 0.00 1.00 0.00 0.00 62.75 63.00 1c4z n ILE 736 Cb 0.57 -0.60 -0.08 0.00 -0.71 0.00 0.00 39.64 38.82 1c4z n ILE 736 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1c4z n GLY 738 N 1.61 0.00 1.31 0.00 0.00 -0.55 -4.61 105.19 102.95 1c4z n GLY 738 Ca -0.01 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1c4z n GLY 738 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c4z n SER 739 N -0.96 0.22 -2.39 1.61 3.41 -0.75 -4.69 113.62 110.06 1c4z n SER 739 Ca 0.00 -1.26 -0.30 0.00 -0.26 0.00 0.00 58.87 57.05 1c4z n SER 739 Cb 0.00 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1c4z n SER 739 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1c4z n ARG 740 N -1.81 3.23 -2.24 4.33 1.74 -1.26 -1.60 116.66 119.05 1c4z n ARG 740 Ca 0.06 -4.00 -0.41 0.00 -0.77 0.00 0.00 57.85 52.73 1c4z n ARG 740 Cb 0.20 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.34 1c4z n ARG 740 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1c4z s ASN 741 N -2.80 6.94 -0.33 0.55 3.84 -1.26 -4.98 114.94 116.90 1c4z s ASN 741 Ca 0.53 2.50 0.17 0.00 0.21 0.00 0.00 52.86 56.26 1c4z s ASN 741 Cb 0.43 -2.63 0.46 0.00 -0.55 0.00 0.00 41.25 38.96 1c4z s ASN 741 CO -0.13 -0.43 1.01 0.18 -2.79 0.00 0.00 177.10 174.94 1c4z n LEU 742 N 1.41 2.05 0.15 3.21 4.77 -1.26 -4.62 117.00 122.72 1c4z n LEU 742 Ca 0.01 -3.85 -0.14 0.00 -0.03 0.00 0.00 56.01 52.00 1c4z n LEU 742 Cb 0.43 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 1c4z n LEU 742 CO 0.57 1.59 0.63 -0.78 -1.33 0.00 0.00 177.39 178.08 1c4z h ASP 743 N 2.85 -0.98 0.00 -1.43 1.82 -1.99 -3.43 116.42 113.25 1c4z h ASP 743 Ca -0.03 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1c4z h ASP 743 Cb 1.17 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.54 1c4z h ASP 743 CO 0.51 -0.45 0.00 0.49 -1.61 0.00 0.00 179.24 178.18 1c4z n PHE 744 N -5.44 0.00 -2.18 0.28 3.01 -1.26 -4.70 117.46 107.17 1c4z n PHE 744 Ca -0.08 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.03 1c4z n PHE 744 Cb 0.35 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1c4z n PHE 744 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1c4z s GLN 745 N 0.00 3.27 0.00 -1.08 -1.52 -1.26 0.83 119.66 119.89 1c4z s GLN 745 Ca 0.00 1.60 0.00 0.00 -1.95 0.00 0.00 55.36 55.01 1c4z s GLN 745 Cb 0.00 -1.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 1c4z s GLN 745 CO 0.00 -0.92 0.00 0.00 -0.25 0.00 0.00 175.29 174.12 1c4z n ALA 746 N -1.45 0.00 0.13 6.09 0.00 -1.26 -4.43 120.51 119.59 1c4z n ALA 746 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1c4z n ALA 746 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.11 1c4z n ALA 746 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c4z h LEU 747 N 0.00 0.00 0.11 0.00 7.12 -0.88 -3.08 115.31 118.58 1c4z h LEU 747 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1c4z h LEU 747 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1c4z h LEU 747 CO 0.00 0.64 -0.05 -0.08 -0.13 0.00 0.00 178.44 178.82 1c4z h GLU 748 N 0.00 -0.14 0.00 1.25 4.81 0.21 -3.34 114.58 117.37 1c4z h GLU 748 Ca -0.01 0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1c4z h GLU 748 Cb 1.15 0.03 0.18 0.00 0.63 0.00 0.00 28.75 30.75 1c4z h GLU 748 CO 0.08 0.16 0.02 0.39 -0.73 0.00 0.00 179.01 178.94 1c4z n GLU 749 N -5.02 -3.50 -0.08 1.92 1.02 -1.16 -2.52 120.64 111.30 1c4z n GLU 749 Ca -0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1c4z n GLU 749 Cb 0.20 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1c4z n GLU 749 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1c4z n THR 750 N -4.95 0.00 -2.86 2.62 -2.24 -1.26 -4.78 114.28 100.81 1c4z n THR 750 Ca 0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 1c4z n THR 750 Cb 0.54 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1c4z n THR 750 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1c4z s THR 751 N -0.75 4.22 0.31 4.28 2.01 -1.05 -4.28 115.64 120.38 1c4z s THR 751 Ca 0.00 1.90 0.10 0.00 0.31 0.00 0.00 61.69 64.00 1c4z s THR 751 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 1c4z s THR 751 CO 0.00 0.51 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.70 1c4z s GLU 752 N -1.14 1.72 0.14 4.92 0.41 -0.33 -5.00 118.70 119.42 1c4z s GLU 752 Ca 0.39 -1.85 0.05 0.00 -0.41 0.00 0.00 54.97 53.14 1c4z s GLU 752 Cb -0.25 -1.64 -0.04 0.00 -1.78 0.00 0.00 34.13 30.42 1c4z s GLU 752 CO 0.29 0.20 -0.11 0.71 -0.49 0.00 0.00 175.26 175.85 1c4z s TYR 753 N -2.63 1.30 -0.03 1.61 1.51 -1.26 -1.03 117.35 116.82 1c4z s TYR 753 Ca 0.31 -0.68 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 1c4z s TYR 753 Cb -0.00 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1c4z s TYR 753 CO 0.15 0.11 0.34 0.34 -1.11 0.00 0.00 175.55 175.37 1c4z s ASP 754 N -2.88 -0.23 0.00 2.29 2.15 -0.79 -4.77 116.67 112.43 1c4z s ASP 754 Ca 0.13 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1c4z s ASP 754 Cb -0.00 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1c4z s ASP 754 CO 0.02 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 1c4z n GLY 755 N 1.39 0.60 0.13 2.66 0.00 -1.26 -0.93 105.19 107.79 1c4z n GLY 755 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1c4z n GLY 755 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c4z n GLY 756 N -1.88 1.87 0.03 -0.02 0.00 -1.26 -4.66 105.19 99.27 1c4z n GLY 756 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1c4z n GLY 756 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c4z n TYR 757 N -1.18 0.31 -1.30 1.61 4.01 -1.26 -5.06 117.16 114.29 1c4z n TYR 757 Ca 0.00 0.13 0.16 0.00 -0.16 0.00 0.00 57.90 58.03 1c4z n TYR 757 Cb 0.03 -0.41 -0.09 0.00 -0.31 0.00 0.00 39.34 38.57 1c4z n TYR 757 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1c4z n THR 758 N -3.24 -0.86 -0.32 -0.72 -2.24 -1.26 -4.49 114.28 101.15 1c4z n THR 758 Ca -0.04 0.86 -0.04 0.00 -2.27 0.00 0.00 64.05 62.57 1c4z n THR 758 Cb 0.13 -1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.05 1c4z n THR 758 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1c4z n ARG 759 N -4.11 -0.25 -2.99 -0.78 0.63 -1.26 -3.97 116.66 103.93 1c4z n ARG 759 Ca -0.09 1.24 -0.42 0.00 -0.92 0.00 0.00 57.85 57.66 1c4z n ARG 759 Cb 0.62 -1.83 -0.05 0.00 0.45 0.00 0.00 32.46 31.64 1c4z n ARG 759 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c4z s ASP 760 N -5.33 6.57 -0.30 6.15 1.11 -1.26 -4.63 116.67 118.99 1c4z s ASP 760 Ca -0.11 0.47 -0.19 0.00 0.18 0.00 0.00 52.55 52.90 1c4z s ASP 760 Cb 0.14 -2.38 0.19 0.00 1.07 0.00 0.00 42.92 41.94 1c4z s ASP 760 CO 0.55 -0.63 1.26 -0.44 1.18 0.00 0.00 175.17 177.09 1c4z s SER 761 N 1.72 -0.14 0.22 0.27 0.01 -1.25 -5.00 113.70 109.51 1c4z s SER 761 Ca 0.30 0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.72 1c4z s SER 761 Cb -0.14 0.75 0.30 0.00 0.21 0.00 0.00 66.02 67.14 1c4z s SER 761 CO 0.14 -0.04 1.77 0.58 0.41 0.00 0.00 173.24 176.10 1c4z h VAL 762 N 4.30 0.83 -0.68 3.43 2.07 -1.95 0.15 116.25 124.41 1c4z h VAL 762 Ca -0.27 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1c4z h VAL 762 Cb 1.17 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1c4z h VAL 762 CO 0.20 0.10 0.20 0.25 0.02 0.00 0.00 177.57 178.34 1c4z h LEU 763 N 0.53 0.98 0.07 2.57 7.12 -1.97 -1.27 115.31 123.35 1c4z h LEU 763 Ca 0.33 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 1c4z h LEU 763 Cb 0.35 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1c4z h LEU 763 CO -0.27 0.93 -0.03 0.40 -0.13 0.00 0.00 178.44 179.33 1c4z h ILE 764 N 1.01 1.20 -0.72 4.05 1.08 -1.64 -1.77 117.51 120.72 1c4z h ILE 764 Ca 0.22 -1.03 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1c4z h ILE 764 Cb 0.31 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 1c4z h ILE 764 CO -0.01 0.25 0.38 0.03 -0.69 0.00 0.00 178.15 178.11 1c4z h ARG 765 N -0.57 1.02 -0.87 2.37 3.08 -0.74 -0.86 114.38 117.81 1c4z h ARG 765 Ca -0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1c4z h ARG 765 Cb 0.48 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1c4z h ARG 765 CO 0.02 0.77 0.50 0.93 -1.07 0.00 0.00 179.97 181.12 1c4z h GLU 766 N 1.00 1.19 0.19 0.04 5.08 -1.28 -1.85 114.58 118.95 1c4z h GLU 766 Ca 0.25 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1c4z h GLU 766 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1c4z h GLU 766 CO -0.04 0.85 -0.10 0.35 -1.00 0.00 0.00 179.01 179.08 1c4z h PHE 767 N 1.21 -0.26 -0.77 4.33 3.04 -0.36 -1.47 116.94 122.65 1c4z h PHE 767 Ca 0.31 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1c4z h PHE 767 Cb -0.01 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1c4z h PHE 767 CO 0.01 -0.16 0.45 -1.49 -2.02 0.00 0.00 178.31 175.09 1c4z h TRP 768 N -0.27 1.02 0.00 0.41 4.06 -1.00 0.86 115.95 121.03 1c4z h TRP 768 Ca -0.02 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1c4z h TRP 768 Cb 0.21 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 1c4z h TRP 768 CO -0.07 0.69 -0.17 0.93 -3.56 0.00 0.00 178.44 176.26 1c4z h GLU 769 N 1.06 0.00 0.07 0.49 5.08 -1.08 -0.67 114.58 119.53 1c4z h GLU 769 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1c4z h GLU 769 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1c4z h GLU 769 CO -0.05 0.17 -0.03 0.82 -1.00 0.00 0.00 179.01 178.92 1c4z h ILE 770 N 0.00 0.84 -0.15 3.13 2.04 -0.16 -3.21 117.51 119.99 1c4z h ILE 770 Ca -0.00 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.47 1c4z h ILE 770 Cb 0.32 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1c4z h ILE 770 CO 0.02 0.26 -0.34 0.58 0.00 0.00 0.00 178.15 178.68 1c4z h VAL 771 N -0.96 0.26 -0.77 1.67 2.07 -0.74 -2.65 116.25 115.14 1c4z h VAL 771 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1c4z h VAL 771 Cb 0.50 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1c4z h VAL 771 CO 0.02 0.00 0.40 0.45 0.02 0.00 0.00 177.57 178.46 1c4z h HIS 772 N -0.40 0.72 0.00 1.57 3.86 -1.28 0.40 115.15 120.02 1c4z h HIS 772 Ca 0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1c4z h HIS 772 Cb 0.56 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1c4z h HIS 772 CO -0.43 0.26 0.00 -1.13 0.86 0.00 0.00 177.93 177.49 1c4z n SER 773 N -4.83 0.00 -4.57 2.45 3.41 -1.03 -4.86 113.62 104.21 1c4z n SER 773 Ca 0.13 -0.86 -0.29 0.00 -0.26 0.00 0.00 58.87 57.59 1c4z n SER 773 Cb 0.30 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.47 1c4z n SER 773 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1c4z s PHE 774 N -2.00 1.47 -0.23 7.33 0.08 0.13 -4.99 117.98 119.77 1c4z s PHE 774 Ca 0.38 1.43 -0.08 0.00 0.12 0.00 0.00 56.93 58.77 1c4z s PHE 774 Cb 0.17 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1c4z s PHE 774 CO 0.29 -3.43 0.10 0.95 -0.10 0.00 0.00 175.22 173.02 1c4z s THR 775 N -2.54 4.76 0.00 0.64 -4.23 -1.26 -4.88 115.64 108.12 1c4z s THR 775 Ca 0.68 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1c4z s THR 775 Cb -0.24 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1c4z s THR 775 CO 0.62 0.37 0.00 0.47 -0.54 0.00 0.00 174.62 175.53 1c4z n ASP 776 N 4.40 0.00 -0.23 3.99 9.92 -1.26 0.27 116.55 133.63 1c4z n ASP 776 Ca -0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.09 1c4z n ASP 776 Cb 0.52 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.11 1c4z n ASP 776 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1c4z h GLU 777 N 0.00 0.63 -0.01 -1.24 4.81 -1.98 0.61 114.58 117.40 1c4z h GLU 777 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1c4z h GLU 777 Cb 0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1c4z h GLU 777 CO 0.00 0.42 0.00 1.96 -0.73 0.00 0.00 179.01 180.66 1c4z h GLN 778 N 0.65 0.01 -0.97 1.92 4.20 0.34 0.06 115.11 121.31 1c4z h GLN 778 Ca 0.31 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.20 1c4z h GLN 778 Cb 0.24 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 1c4z h GLN 778 CO -0.21 0.25 0.61 0.87 -0.67 0.00 0.00 178.83 179.68 1c4z h LYS 779 N -0.23 0.68 0.00 1.46 1.57 -1.21 0.39 116.57 119.24 1c4z h LYS 779 Ca 0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1c4z h LYS 779 Cb 0.24 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1c4z h LYS 779 CO 0.00 0.45 -0.52 0.00 -0.57 0.00 0.00 179.45 178.82 1c4z h ARG 780 N 0.70 0.00 -0.33 3.15 3.08 -0.55 -2.60 114.38 117.83 1c4z h ARG 780 Ca 0.53 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.46 1c4z h ARG 780 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1c4z h ARG 780 CO -0.30 0.52 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.78 1c4z h LEU 781 N 0.00 0.81 -0.56 3.04 3.38 0.16 -1.19 115.31 120.95 1c4z h LEU 781 Ca -0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1c4z h LEU 781 Cb 1.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1c4z h LEU 781 CO 0.07 1.08 0.32 0.15 0.09 0.00 0.00 178.44 180.15 1c4z h PHE 782 N 0.54 0.76 0.06 1.13 3.04 -0.61 0.13 116.94 121.99 1c4z h PHE 782 Ca 0.06 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1c4z h PHE 782 Cb 0.83 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1c4z h PHE 782 CO 0.07 0.55 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.81 1c4z h LEU 783 N 0.76 -0.06 -1.56 0.59 3.38 -1.40 0.53 115.31 117.54 1c4z h LEU 783 Ca 0.20 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1c4z h LEU 783 Cb 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1c4z h LEU 783 CO -0.03 0.14 0.54 -0.61 0.09 0.00 0.00 178.44 178.57 1c4z h GLN 784 N -0.27 0.40 0.05 1.13 5.75 -0.79 0.21 115.11 121.59 1c4z h GLN 784 Ca -0.01 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1c4z h GLN 784 Cb 0.24 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1c4z h GLN 784 CO 0.01 0.26 -0.02 0.35 -2.65 0.00 0.00 178.83 176.78 1c4z h PHE 785 N 0.41 -0.06 0.51 3.99 3.57 -0.47 -3.35 116.94 121.54 1c4z h PHE 785 Ca 0.40 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 1c4z h PHE 785 Cb 0.96 0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.72 1c4z h PHE 785 CO -0.00 0.30 -0.25 1.15 -2.23 0.00 0.00 178.31 177.29 1c4z h THR 786 N -0.99 0.44 -2.06 4.41 2.02 -0.72 -3.44 112.91 112.58 1c4z h THR 786 Ca -0.01 -0.28 -0.43 0.00 0.77 0.00 0.00 66.41 66.46 1c4z h THR 786 Cb 0.39 0.56 0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1c4z h THR 786 CO 0.01 0.04 -0.12 0.42 0.37 0.00 0.00 175.52 176.25 1c4z s THR 787 N -5.29 2.76 -1.92 3.16 -4.23 0.71 -3.67 115.64 107.16 1c4z s THR 787 Ca -0.15 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1c4z s THR 787 Cb 0.03 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1c4z s THR 787 CO 0.56 0.00 0.86 0.61 -0.54 0.00 0.00 174.62 176.11 1c4z n GLY 788 N -2.17 -0.71 3.80 3.99 0.00 -1.26 -4.25 105.19 104.60 1c4z n GLY 788 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1c4z n GLY 788 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c4z s THR 789 N -1.92 0.00 -2.08 2.61 -1.32 -1.26 -4.86 115.64 106.82 1c4z s THR 789 Ca 0.00 -0.85 0.20 0.00 -1.21 0.00 0.00 61.69 59.82 1c4z s THR 789 Cb 0.00 -1.88 0.52 0.00 -1.51 0.00 0.00 72.50 69.63 1c4z s THR 789 CO 0.00 0.00 1.45 -0.90 -2.21 0.00 0.00 174.62 172.96 1c4z n ASP 790 N -0.45 3.21 -4.65 8.08 5.75 -1.26 -2.30 116.55 124.92 1c4z n ASP 790 Ca -0.06 -1.98 -0.22 0.00 -0.01 0.00 0.00 54.79 52.52 1c4z n ASP 790 Cb 0.60 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.34 1c4z n ASP 790 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1c4z n ARG 791 N 1.26 0.70 -4.66 0.11 1.74 -1.26 -4.86 116.66 109.69 1c4z n ARG 791 Ca 0.20 -3.08 -0.25 0.00 -0.77 0.00 0.00 57.85 53.95 1c4z n ARG 791 Cb 0.52 0.15 -0.14 0.00 -1.02 0.00 0.00 32.46 31.97 1c4z n ARG 791 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c4z s ALA 792 N -2.70 1.63 1.07 7.54 0.00 -0.63 -4.94 121.76 123.74 1c4z s ALA 792 Ca 0.38 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1c4z s ALA 792 Cb -0.03 -0.33 0.23 0.00 0.00 0.00 0.00 23.12 22.98 1c4z s ALA 792 CO 0.24 0.37 1.09 -2.14 0.00 0.00 0.00 175.76 175.31 1c4z s PRO 793 N -1.00 -0.17 0.23 0.00 0.02 -1.26 -1.81 135.00 131.01 1c4z s PRO 793 Ca 0.07 0.40 -0.30 0.00 0.02 0.00 0.00 61.00 61.19 1c4z s PRO 793 Cb -0.08 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.66 1c4z s PRO 793 CO 0.01 -3.11 1.51 0.08 -0.33 0.00 0.00 177.00 175.16 1c4z s VAL 794 N -2.91 2.53 0.00 3.83 1.01 -1.26 -2.31 120.40 121.29 1c4z s VAL 794 Ca 0.67 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1c4z s VAL 794 Cb -0.18 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1c4z s VAL 794 CO 0.58 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1c4z n GLY 795 N 2.63 0.91 0.01 4.51 0.00 -1.26 -4.88 105.19 107.11 1c4z n GLY 795 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1c4z n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c4z n GLY 796 N -2.07 -1.77 0.28 -0.02 0.00 -0.98 -4.39 105.19 96.25 1c4z n GLY 796 Ca 0.00 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.69 1c4z n GLY 796 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1c4z h LEU 797 N -0.01 0.00 -1.44 0.99 3.38 -1.88 -2.33 115.31 114.03 1c4z h LEU 797 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1c4z h LEU 797 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1c4z h LEU 797 CO 0.00 0.00 0.11 1.23 0.09 0.00 0.00 178.44 179.87 1c4z h GLY 798 N 0.00 0.52 2.00 0.83 0.00 -1.77 -2.20 103.07 102.45 1c4z h GLY 798 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1c4z h GLY 798 CO 0.00 0.24 0.00 0.28 0.00 0.00 0.00 176.54 177.06 1c4z n LYS 799 N -4.38 0.11 0.24 4.80 4.76 -0.88 -3.34 118.16 119.47 1c4z n LYS 799 Ca 0.02 0.48 0.10 0.00 -2.87 0.00 0.00 58.31 56.04 1c4z n LYS 799 Cb 0.16 -1.77 0.59 0.00 -1.84 0.00 0.00 35.03 32.18 1c4z n LYS 799 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1c4z h LEU 800 N 0.00 0.00 -2.46 -0.35 3.38 -1.60 -3.48 115.31 110.80 1c4z h LEU 800 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1c4z h LEU 800 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1c4z h LEU 800 CO 0.00 0.19 -0.92 0.29 0.09 0.00 0.00 178.44 178.09 1c4z n LYS 801 N -3.63 -2.21 -1.73 1.13 5.02 -1.21 -4.86 118.16 110.66 1c4z n LYS 801 Ca -0.01 0.35 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 1c4z n LYS 801 Cb 0.32 -4.11 0.07 0.00 -0.02 0.00 0.00 35.03 31.29 1c4z n LYS 801 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1c4z s MET 802 N -6.60 2.55 -0.10 1.97 1.75 -1.26 -4.78 119.30 112.83 1c4z s MET 802 Ca 0.17 1.92 0.01 0.00 -1.25 0.00 0.00 55.69 56.54 1c4z s MET 802 Cb -0.07 -1.86 0.02 0.00 2.84 0.00 0.00 34.83 35.76 1c4z s MET 802 CO 0.90 -1.56 -0.09 0.42 -0.65 0.00 0.00 175.02 174.04 1c4z s ILE 803 N -1.60 1.08 -0.40 10.11 1.01 -0.61 -1.19 121.20 129.61 1c4z s ILE 803 Ca 0.79 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1c4z s ILE 803 Cb -0.33 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.11 1c4z s ILE 803 CO 0.39 0.37 0.25 -0.63 0.00 0.00 0.00 174.94 175.32 1c4z s ILE 804 N 1.33 4.80 -0.11 2.92 1.01 -0.20 -0.21 121.20 130.76 1c4z s ILE 804 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1c4z s ILE 804 Cb -0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1c4z s ILE 804 CO -0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 174.94 174.52 1c4z s ALA 805 N 1.59 2.93 0.20 9.38 0.00 -0.59 -1.89 121.76 133.37 1c4z s ALA 805 Ca 0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1c4z s ALA 805 Cb -0.20 -1.33 -0.10 0.00 0.00 0.00 0.00 23.12 21.50 1c4z s ALA 805 CO 0.07 0.41 1.48 0.21 0.00 0.00 0.00 175.76 177.94 1c4z s LYS 806 N -0.25 4.25 -0.56 0.00 2.20 -0.10 -0.87 119.74 124.40 1c4z s LYS 806 Ca 0.03 2.29 0.06 0.00 -0.36 0.00 0.00 55.97 58.00 1c4z s LYS 806 Cb -0.13 -3.15 0.22 0.00 -1.51 0.00 0.00 37.83 33.26 1c4z s LYS 806 CO 0.03 -0.50 0.57 -1.71 -0.36 0.00 0.00 175.35 173.38 1c4z n ASN 807 N 3.22 2.05 0.00 1.43 5.15 -1.05 -4.80 115.26 121.26 1c4z n ASN 807 Ca 0.10 -3.04 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 1c4z n ASN 807 Cb 0.40 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1c4z n ASN 807 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1c4z n GLY 808 N 1.55 -1.39 3.71 8.20 0.00 -1.26 -4.02 105.19 111.98 1c4z n GLY 808 Ca 0.25 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1c4z n GLY 808 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c4z s PRO 809 N -2.59 -0.85 0.25 1.61 0.04 -1.26 -1.43 135.00 130.77 1c4z s PRO 809 Ca 0.00 -0.31 -0.30 0.00 0.04 0.00 0.00 61.00 60.43 1c4z s PRO 809 Cb 0.00 -1.66 -0.15 0.00 0.04 0.00 0.00 34.50 32.73 1c4z s PRO 809 CO 0.00 -3.42 1.07 -3.47 0.04 0.00 0.00 177.00 171.21 1c4z n ASP 810 N -4.50 1.33 -0.29 6.66 2.03 -1.06 -4.20 116.55 116.51 1c4z n ASP 810 Ca 0.16 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.63 1c4z n ASP 810 Cb 0.60 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1c4z n ASP 810 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1c4z n THR 811 N 0.72 0.00 -0.05 5.18 -2.24 -1.26 -4.98 114.28 111.64 1c4z n THR 811 Ca 0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1c4z n THR 811 Cb 0.29 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1c4z n THR 811 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1c4z n GLU 812 N 0.00 2.92 -2.98 -0.78 4.07 -1.26 -4.98 120.64 117.62 1c4z n GLU 812 Ca 0.00 -1.67 -0.32 0.00 -0.06 0.00 0.00 57.16 55.11 1c4z n GLU 812 Cb 0.00 -1.09 -0.06 0.00 -0.06 0.00 0.00 31.44 30.23 1c4z n GLU 812 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1c4z s ARG 813 N -0.99 4.05 0.21 5.31 0.52 -1.26 -5.06 118.95 121.72 1c4z s ARG 813 Ca 0.07 0.80 -0.21 0.00 -0.52 0.00 0.00 55.73 55.87 1c4z s ARG 813 Cb 0.04 -2.34 -0.08 0.00 0.52 0.00 0.00 34.95 33.09 1c4z s ARG 813 CO 0.05 0.06 0.74 -0.51 0.02 0.00 0.00 175.30 175.66 1c4z s LEU 814 N -3.18 4.41 0.85 2.53 1.43 -1.26 -4.96 118.68 118.51 1c4z s LEU 814 Ca 0.56 1.48 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1c4z s LEU 814 Cb -0.10 -3.50 0.09 0.00 0.03 0.00 0.00 46.19 42.71 1c4z s LEU 814 CO 0.18 0.08 1.06 -0.81 0.23 0.00 0.00 176.35 177.09 1c4z n PRO 815 N 0.97 -0.04 -2.14 1.29 -0.04 -1.26 -4.99 135.00 128.79 1c4z n PRO 815 Ca -0.03 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1c4z n PRO 815 Cb 0.50 -2.32 -0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1c4z n PRO 815 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1c4z n THR 816 N -3.53 0.00 -3.46 0.52 -2.24 -0.78 -4.96 114.28 99.83 1c4z n THR 816 Ca 0.12 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1c4z n THR 816 Cb 0.51 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1c4z n THR 816 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c4z s SER 817 N -1.15 -0.53 -0.51 3.42 1.04 -1.26 0.25 113.70 114.96 1c4z s SER 817 Ca 0.01 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1c4z s SER 817 Cb 0.00 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.86 1c4z s SER 817 CO 0.01 -0.97 0.30 -1.00 0.98 0.00 0.00 173.24 172.56 1c4z s HIS 818 N -3.72 2.46 0.58 5.02 3.76 -0.87 -4.99 115.29 117.52 1c4z s HIS 818 Ca 0.02 -2.75 0.27 0.00 -0.15 0.00 0.00 55.06 52.45 1c4z s HIS 818 Cb -0.01 -2.15 1.59 0.00 1.11 0.00 0.00 32.58 33.11 1c4z s HIS 818 CO -0.11 -0.73 2.08 1.79 -0.85 0.00 0.00 174.74 176.92 1c4z h THR 819 N 5.07 0.54 0.00 1.30 1.35 -1.82 -1.46 112.91 117.89 1c4z h THR 819 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1c4z h THR 819 Cb 0.88 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1c4z h THR 819 CO 0.56 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 1c4z n PHE 821 N -0.78 0.00 -4.13 0.00 3.01 -0.59 -4.29 117.46 110.68 1c4z n PHE 821 Ca 0.11 -0.06 -0.34 0.00 1.01 0.00 0.00 57.45 58.17 1c4z n PHE 821 Cb 0.05 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 1c4z n PHE 821 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1c4z n ASN 822 N -0.06 -3.55 -4.61 4.37 3.02 -0.95 -4.57 115.26 108.90 1c4z n ASN 822 Ca 0.00 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.22 1c4z n ASN 822 Cb 0.43 -3.08 -0.09 0.00 -0.61 0.00 0.00 39.78 36.42 1c4z n ASN 822 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c4z s VAL 823 N -3.33 5.22 -0.36 2.41 1.01 -0.94 -1.57 120.40 122.84 1c4z s VAL 823 Ca 0.68 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 1c4z s VAL 823 Cb -0.36 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1c4z s VAL 823 CO 0.90 0.20 0.25 -0.22 0.00 0.00 0.00 175.10 176.23 1c4z s LEU 824 N 1.84 4.66 -0.59 3.92 1.98 0.70 -2.06 118.68 129.13 1c4z s LEU 824 Ca 0.13 -0.54 -0.23 0.00 -2.89 0.00 0.00 54.13 50.60 1c4z s LEU 824 Cb -0.15 -2.14 0.05 0.00 0.66 0.00 0.00 46.19 44.61 1c4z s LEU 824 CO 0.09 -0.29 0.94 -0.76 -1.89 0.00 0.00 176.35 174.44 1c4z s LEU 825 N 1.71 4.24 -0.37 -0.68 1.43 0.14 -1.55 118.68 123.60 1c4z s LEU 825 Ca 0.06 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1c4z s LEU 825 Cb -0.18 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1c4z s LEU 825 CO 0.10 -1.30 0.15 -0.22 0.23 0.00 0.00 176.35 175.31 1c4z s LEU 826 N 3.94 4.72 0.59 1.79 0.20 -0.05 -1.87 118.68 128.00 1c4z s LEU 826 Ca 0.26 -1.55 -0.20 0.00 0.69 0.00 0.00 54.13 53.34 1c4z s LEU 826 Cb -0.15 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1c4z s LEU 826 CO 0.15 -0.43 1.24 -2.65 -0.29 0.00 0.00 176.35 174.38 1c4z n PRO 827 N 4.72 1.31 -1.96 0.98 -0.02 -1.26 -2.54 135.00 136.23 1c4z n PRO 827 Ca -0.09 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1c4z n PRO 827 Cb 0.43 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1c4z n PRO 827 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1c4z n GLU 828 N -1.31 3.10 -1.16 -0.52 2.13 -0.51 -4.84 120.64 117.52 1c4z n GLU 828 Ca 0.13 -2.91 -0.35 0.00 0.66 0.00 0.00 57.16 54.68 1c4z n GLU 828 Cb 0.46 -3.19 0.08 0.00 0.27 0.00 0.00 31.44 29.07 1c4z n GLU 828 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1c4z n TYR 829 N 5.53 -0.67 1.39 4.31 4.02 -1.26 -2.57 117.16 127.91 1c4z n TYR 829 Ca 0.48 0.33 0.14 0.00 -0.01 0.00 0.00 57.90 58.85 1c4z n TYR 829 Cb 0.39 -1.92 0.64 0.00 -0.02 0.00 0.00 39.34 38.43 1c4z n TYR 829 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1c4z n SER 830 N -0.81 0.34 -3.75 7.72 3.41 -1.26 -4.86 113.62 114.41 1c4z n SER 830 Ca 0.10 -0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 58.15 1c4z n SER 830 Cb 0.51 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1c4z n SER 830 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1c4z s SER 831 N -2.53 -0.35 0.18 4.04 0.15 -1.26 -5.02 113.70 108.91 1c4z s SER 831 Ca 0.28 0.65 -0.13 0.00 0.70 0.00 0.00 55.95 57.45 1c4z s SER 831 Cb 0.20 0.68 0.11 0.00 -1.71 0.00 0.00 66.02 65.30 1c4z s SER 831 CO 0.48 -0.15 1.81 0.50 1.20 0.00 0.00 173.24 177.08 1c4z h LYS 832 N 5.46 0.58 -0.00 5.44 3.64 -1.96 0.41 116.57 130.14 1c4z h LYS 832 Ca -0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1c4z h LYS 832 Cb 1.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1c4z h LYS 832 CO 0.30 0.39 0.00 0.93 -2.27 0.00 0.00 179.45 178.80 1c4z h GLU 833 N 0.60 0.00 0.00 1.90 3.07 -1.99 -0.20 114.58 117.96 1c4z h GLU 833 Ca 0.21 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.91 1c4z h GLU 833 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1c4z h GLU 833 CO -0.10 0.00 -1.03 -0.22 -1.40 0.00 0.00 179.01 176.25 1c4z h LYS 834 N 0.00 0.00 -0.15 2.33 3.64 -1.35 -2.62 116.57 118.42 1c4z h LYS 834 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1c4z h LYS 834 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1c4z h LYS 834 CO -0.00 0.48 0.03 1.25 -2.27 0.00 0.00 179.45 178.94 1c4z h LEU 835 N 0.00 0.23 -0.97 5.20 6.46 0.14 -1.51 115.31 124.86 1c4z h LEU 835 Ca -0.09 -0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1c4z h LEU 835 Cb 1.57 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 1c4z h LEU 835 CO 0.07 0.42 -0.27 0.50 -0.62 0.00 0.00 178.44 178.54 1c4z h LYS 836 N 0.04 0.43 -0.03 1.25 3.64 -1.26 0.13 116.57 120.77 1c4z h LYS 836 Ca 0.05 -0.16 -0.25 0.00 -1.27 0.00 0.00 60.65 59.02 1c4z h LYS 836 Cb 0.28 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1c4z h LYS 836 CO 0.00 0.66 -0.97 1.49 -2.27 0.00 0.00 179.45 178.37 1c4z h GLU 837 N 0.38 0.64 -0.04 1.90 4.22 -1.36 -2.45 114.58 117.86 1c4z h GLU 837 Ca 0.05 -0.65 -0.13 0.00 0.08 0.00 0.00 59.36 58.71 1c4z h GLU 837 Cb 0.67 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1c4z h GLU 837 CO 0.05 1.25 -0.49 0.00 -2.18 0.00 0.00 179.01 177.65 1c4z h ARG 838 N 0.38 0.40 -0.44 1.92 2.47 -1.25 -2.40 114.38 115.46 1c4z h ARG 838 Ca -0.10 -0.38 0.02 0.00 -1.26 0.00 0.00 59.98 58.26 1c4z h ARG 838 Cb 1.61 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.99 1c4z h ARG 838 CO 0.19 1.03 0.25 1.25 0.56 0.00 0.00 179.97 183.25 1c4z h LEU 839 N -0.09 0.39 0.13 3.04 6.46 -1.06 -2.13 115.31 122.05 1c4z h LEU 839 Ca -0.05 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1c4z h LEU 839 Cb 1.17 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1c4z h LEU 839 CO 0.10 0.28 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.07 1c4z h LEU 840 N 0.50 -0.14 -2.34 2.25 3.38 -1.47 -1.39 115.31 116.09 1c4z h LEU 840 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1c4z h LEU 840 Cb 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1c4z h LEU 840 CO -0.09 -0.10 -0.01 0.50 0.09 0.00 0.00 178.44 178.82 1c4z h LYS 841 N -0.17 0.00 0.09 1.13 3.64 -1.31 -0.25 116.57 119.70 1c4z h LYS 841 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1c4z h LYS 841 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1c4z h LYS 841 CO 0.03 0.01 -0.04 0.00 -2.27 0.00 0.00 179.45 177.18 1c4z h ALA 842 N 1.99 -0.11 0.00 5.00 0.00 -0.89 -2.04 119.26 123.21 1c4z h ALA 842 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1c4z h ALA 842 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c4z h ALA 842 CO 0.00 -0.14 0.00 -0.84 0.00 0.00 0.00 179.25 178.27 1c4z h ILE 843 N -0.97 0.00 0.06 0.00 3.07 -1.02 -2.94 117.51 115.71 1c4z h ILE 843 Ca -0.01 -0.56 -0.33 0.00 1.55 0.00 0.00 64.86 65.51 1c4z h ILE 843 Cb 0.46 1.55 -0.04 0.00 -0.27 0.00 0.00 36.82 38.53 1c4z h ILE 843 CO 0.02 0.00 -1.85 1.07 -1.05 0.00 0.00 178.15 176.34 1c4z n THR 844 N -3.08 1.69 0.45 0.16 5.66 -0.12 -4.35 114.28 114.69 1c4z n THR 844 Ca 0.01 -0.73 -0.18 0.00 -3.05 0.00 0.00 64.05 60.09 1c4z n THR 844 Cb 0.33 -1.35 -0.09 0.00 -1.55 0.00 0.00 70.33 67.67 1c4z n THR 844 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 1c4z h TYR 845 N 0.03 -1.07 0.00 1.09 3.20 -1.28 -3.50 116.97 115.44 1c4z h TYR 845 Ca -0.35 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1c4z h TYR 845 Cb 2.03 0.35 0.00 0.00 1.54 0.00 0.00 36.73 40.65 1c4z h TYR 845 CO 0.04 -0.66 0.00 0.00 -1.64 0.00 0.00 178.16 175.90