#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs4 s VAL 502 N 0.00 5.06 0.26 0.44 1.01 -1.26 -4.49 120.40 121.41 1bs4 s VAL 502 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 1bs4 s VAL 502 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1bs4 s VAL 502 CO 0.00 0.12 0.51 -0.76 0.00 0.00 0.00 175.10 174.97 1bs4 s LEU 503 N 1.97 4.12 0.04 3.92 1.43 -1.26 -5.03 118.68 123.87 1bs4 s LEU 503 Ca 0.25 0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 1bs4 s LEU 503 Cb -0.16 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1bs4 s LEU 503 CO 0.09 -0.14 1.07 -1.58 0.23 0.00 0.00 176.35 176.03 1bs4 s GLN 504 N -3.38 4.52 -0.20 1.70 0.74 -1.26 -4.93 119.66 116.85 1bs4 s GLN 504 Ca 0.43 1.58 -0.18 0.00 0.05 0.00 0.00 55.36 57.23 1bs4 s GLN 504 Cb -0.11 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 1bs4 s GLN 504 CO 0.29 -0.11 0.52 0.08 -0.55 0.00 0.00 175.29 175.52 1bs4 s VAL 505 N 0.90 5.10 0.42 1.34 1.01 -1.26 -4.52 120.40 123.40 1bs4 s VAL 505 Ca 0.54 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 63.23 1bs4 s VAL 505 Cb -0.25 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1bs4 s VAL 505 CO 0.29 0.18 1.25 -0.76 0.00 0.00 0.00 175.10 176.06 1bs4 s LEU 506 N 1.63 4.15 0.12 3.92 1.43 0.04 -4.98 118.68 124.98 1bs4 s LEU 506 Ca 0.24 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 55.95 1bs4 s LEU 506 Cb -0.15 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1bs4 s LEU 506 CO 0.10 -0.88 -0.11 -1.00 0.23 0.00 0.00 176.35 174.69 1bs4 s HIS 507 N -1.34 2.71 0.56 0.29 3.76 -1.26 -4.24 115.29 115.76 1bs4 s HIS 507 Ca 0.59 -0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 1bs4 s HIS 507 Cb -0.35 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.89 1bs4 s HIS 507 CO 0.44 0.43 1.25 0.44 -0.85 0.00 0.00 174.74 176.45 1bs4 n ILE 508 N 0.62 3.86 -1.39 0.60 -5.35 -0.79 -1.47 119.36 115.43 1bs4 n ILE 508 Ca -0.13 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.55 1bs4 n ILE 508 Cb 0.53 -1.51 0.03 0.00 -1.74 0.00 0.00 39.64 36.95 1bs4 n ILE 508 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1bs4 n PRO 509 N -1.04 2.43 -1.80 6.28 -0.04 -1.26 -4.76 135.00 134.81 1bs4 n PRO 509 Ca 0.12 -2.73 -0.42 0.00 -0.04 0.00 0.00 63.50 60.42 1bs4 n PRO 509 Cb 0.45 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 1bs4 n PRO 509 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bs4 s ASP 510 N -0.73 6.51 0.09 3.54 -1.08 -0.54 -4.88 116.67 119.57 1bs4 s ASP 510 Ca 0.53 2.61 0.22 0.00 -0.52 0.00 0.00 52.55 55.38 1bs4 s ASP 510 Cb 0.40 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 40.19 1bs4 s ASP 510 CO -0.15 -0.97 1.68 -1.84 0.52 0.00 0.00 175.17 174.41 1bs4 n GLU 511 N 6.10 0.08 0.29 4.34 0.28 -1.26 -2.31 120.64 128.16 1bs4 n GLU 511 Ca 0.17 0.22 0.18 0.00 -0.16 0.00 0.00 57.16 57.58 1bs4 n GLU 511 Cb 0.40 -1.63 0.79 0.00 1.43 0.00 0.00 31.44 32.43 1bs4 n GLU 511 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bs4 h ARG 512 N 0.00 0.00 0.00 3.44 3.08 -1.97 -0.81 114.38 118.12 1bs4 h ARG 512 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bs4 h ARG 512 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1bs4 h ARG 512 CO 0.00 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 1bs4 n LEU 513 N -3.10 0.12 -1.01 3.04 4.32 -0.98 -2.43 117.00 116.97 1bs4 n LEU 513 Ca -0.00 0.53 0.12 0.00 -0.02 0.00 0.00 56.01 56.64 1bs4 n LEU 513 Cb 0.26 -0.52 0.14 0.00 -1.62 0.00 0.00 43.42 41.68 1bs4 n LEU 513 CO 0.26 -0.32 0.65 0.54 -1.22 0.00 0.00 177.39 177.30 1bs4 n ARG 514 N -1.64 2.33 -2.60 3.23 5.12 -0.31 -4.41 116.66 118.39 1bs4 n ARG 514 Ca 0.03 -2.03 -0.37 0.00 -1.93 0.00 0.00 57.85 53.55 1bs4 n ARG 514 Cb 0.18 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 1bs4 n ARG 514 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs4 s LYS 515 N -1.78 4.33 -0.22 5.56 1.02 -1.02 -4.51 119.74 123.12 1bs4 s LYS 515 Ca 0.31 1.50 -0.17 0.00 0.02 0.00 0.00 55.97 57.63 1bs4 s LYS 515 Cb 0.21 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1bs4 s LYS 515 CO 0.30 0.01 0.46 0.08 -0.92 0.00 0.00 175.35 175.28 1bs4 s VAL 516 N -1.59 5.14 0.42 3.17 1.01 -1.26 -3.71 120.40 123.57 1bs4 s VAL 516 Ca 0.54 0.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.09 1bs4 s VAL 516 Cb -0.22 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1bs4 s VAL 516 CO 0.28 0.18 1.07 0.00 0.00 0.00 0.00 175.10 176.63 1bs4 s ALA 517 N 1.74 3.05 0.33 5.51 0.00 -0.39 -4.96 121.76 127.04 1bs4 s ALA 517 Ca 0.20 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 1bs4 s ALA 517 Cb -0.15 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1bs4 s ALA 517 CO 0.09 -0.31 0.59 -1.59 0.00 0.00 0.00 175.76 174.53 1bs4 s LYS 518 N -2.60 3.59 0.52 0.00 -2.85 -0.43 -4.73 119.74 113.24 1bs4 s LYS 518 Ca 0.60 -0.05 -0.21 0.00 -1.00 0.00 0.00 55.97 55.31 1bs4 s LYS 518 Cb -0.23 -2.61 -0.06 0.00 -2.06 0.00 0.00 37.83 32.87 1bs4 s LYS 518 CO 0.28 0.14 1.18 -1.25 0.10 0.00 0.00 175.35 175.80 1bs4 s PRO 519 N -3.90 3.43 0.04 1.78 0.04 -1.26 -1.08 135.00 134.05 1bs4 s PRO 519 Ca 0.43 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 1bs4 s PRO 519 Cb -0.10 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1bs4 s PRO 519 CO 0.33 -0.82 1.38 0.08 0.04 0.00 0.00 177.00 178.01 1bs4 s VAL 520 N -1.61 3.62 0.14 -0.36 1.01 -1.26 -4.78 120.40 117.15 1bs4 s VAL 520 Ca 0.70 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 1bs4 s VAL 520 Cb -0.28 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1bs4 s VAL 520 CO 0.33 0.03 1.40 -0.33 0.00 0.00 0.00 175.10 176.53 1bs4 h GLU 521 N 7.41 0.76 -1.84 2.72 5.08 -2.02 -3.46 114.58 123.23 1bs4 h GLU 521 Ca -0.40 -0.53 0.07 0.00 -1.00 0.00 0.00 59.36 57.50 1bs4 h GLU 521 Cb 1.19 0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.31 1bs4 h GLU 521 CO 0.88 1.16 0.05 -2.00 -1.00 0.00 0.00 179.01 178.10 1bs4 s GLU 522 N -3.95 0.58 -0.81 2.33 2.12 -1.26 -5.10 118.70 112.60 1bs4 s GLU 522 Ca -0.10 1.17 -0.24 0.00 0.36 0.00 0.00 54.97 56.16 1bs4 s GLU 522 Cb 0.10 0.37 0.06 0.00 0.26 0.00 0.00 34.13 34.92 1bs4 s GLU 522 CO 0.88 -0.15 1.21 0.08 -0.54 0.00 0.00 175.26 176.75 1bs4 s VAL 523 N 2.04 4.08 0.02 3.70 1.01 -1.26 -4.85 120.40 125.14 1bs4 s VAL 523 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1bs4 s VAL 523 Cb -0.07 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1bs4 s VAL 523 CO -0.19 -1.72 0.00 -0.46 0.00 0.00 0.00 175.10 172.74 1bs4 n ASN 524 N 8.39 1.98 0.22 3.32 0.23 -1.26 -4.80 115.26 123.34 1bs4 n ASN 524 Ca 0.11 -1.10 0.06 0.00 -0.53 0.00 0.00 54.58 53.13 1bs4 n ASN 524 Cb 0.48 0.01 0.50 0.00 -2.08 0.00 0.00 39.78 38.70 1bs4 n ASN 524 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs4 h ALA 525 N 0.99 1.51 -0.34 -2.53 0.00 -1.98 -0.90 119.26 116.01 1bs4 h ALA 525 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1bs4 h ALA 525 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bs4 h ALA 525 CO 0.03 0.28 0.09 1.49 0.00 0.00 0.00 179.25 181.14 1bs4 h GLU 526 N 0.00 0.54 -0.60 0.00 4.81 -1.96 -1.70 114.58 115.67 1bs4 h GLU 526 Ca -0.00 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1bs4 h GLU 526 Cb 0.43 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1bs4 h GLU 526 CO 0.03 0.59 0.09 0.82 -0.73 0.00 0.00 179.01 179.80 1bs4 h ILE 527 N 0.39 1.25 0.00 2.32 1.08 -1.61 -2.35 117.51 118.60 1bs4 h ILE 527 Ca 0.11 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.52 1bs4 h ILE 527 Cb 0.28 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1bs4 h ILE 527 CO -0.00 0.36 -0.37 1.56 -0.69 0.00 0.00 178.15 179.01 1bs4 h GLN 528 N 0.91 0.00 -0.20 2.37 4.20 -1.07 -0.76 115.11 120.57 1bs4 h GLN 528 Ca 0.18 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1bs4 h GLN 528 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1bs4 h GLN 528 CO 0.01 0.37 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.28 1bs4 h ARG 529 N 0.00 0.47 -0.64 1.46 2.43 -1.05 -1.24 114.38 115.82 1bs4 h ARG 529 Ca -0.00 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1bs4 h ARG 529 Cb 0.75 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 1bs4 h ARG 529 CO 0.05 0.81 0.33 0.82 -1.51 0.00 0.00 179.97 180.47 1bs4 h ILE 530 N 0.15 0.91 -0.62 1.20 2.04 -0.90 0.43 117.51 120.72 1bs4 h ILE 530 Ca 0.03 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1bs4 h ILE 530 Cb 0.71 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1bs4 h ILE 530 CO 0.05 0.11 0.35 0.58 0.00 0.00 0.00 178.15 179.24 1bs4 h VAL 531 N 0.60 1.19 -0.50 1.67 2.07 -0.98 0.18 116.25 120.48 1bs4 h VAL 531 Ca 0.30 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1bs4 h VAL 531 Cb 0.24 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1bs4 h VAL 531 CO -0.21 0.20 -0.18 0.44 0.02 0.00 0.00 177.57 177.84 1bs4 h ASP 532 N 0.84 1.02 -0.21 0.57 3.32 -0.53 -1.81 116.42 119.62 1bs4 h ASP 532 Ca 0.22 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1bs4 h ASP 532 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1bs4 h ASP 532 CO -0.04 1.17 -0.18 0.44 -1.72 0.00 0.00 179.24 178.91 1bs4 h ASP 533 N 0.87 0.64 -0.59 6.45 3.32 -0.63 -1.72 116.42 124.76 1bs4 h ASP 533 Ca 0.12 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1bs4 h ASP 533 Cb 0.75 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1bs4 h ASP 533 CO 0.06 0.83 0.06 0.24 -1.72 0.00 0.00 179.24 178.70 1bs4 h MET 534 N 0.57 1.00 -0.35 3.56 2.86 -0.58 -0.12 114.93 121.88 1bs4 h MET 534 Ca 0.09 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1bs4 h MET 534 Cb 0.63 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1bs4 h MET 534 CO 0.04 0.97 0.18 0.74 1.06 0.00 0.00 176.91 179.90 1bs4 h PHE 535 N 0.90 0.50 -0.90 -0.22 0.04 -1.20 0.56 116.94 116.62 1bs4 h PHE 535 Ca 0.17 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1bs4 h PHE 535 Cb 0.48 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1bs4 h PHE 535 CO 0.04 0.42 0.56 1.49 -0.60 0.00 0.00 178.31 180.21 1bs4 h GLU 536 N 0.44 1.22 -0.24 1.51 4.81 -1.07 -0.31 114.58 120.94 1bs4 h GLU 536 Ca 0.12 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1bs4 h GLU 536 Cb 0.10 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1bs4 h GLU 536 CO -0.02 0.84 -0.15 1.15 -0.73 0.00 0.00 179.01 180.10 1bs4 h THR 537 N 1.24 1.31 -0.55 0.32 2.02 -0.82 -1.63 112.91 114.80 1bs4 h THR 537 Ca 0.33 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1bs4 h THR 537 Cb -0.07 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1bs4 h THR 537 CO -0.06 0.39 0.27 -0.03 0.37 0.00 0.00 175.52 176.46 1bs4 h MET 538 N 0.25 0.78 -0.20 6.66 1.85 -0.33 -1.45 114.93 122.49 1bs4 h MET 538 Ca 0.05 -0.11 -0.14 0.00 -0.61 0.00 0.00 59.70 58.89 1bs4 h MET 538 Cb 0.68 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 1bs4 h MET 538 CO 0.04 0.63 -0.45 1.88 -0.40 0.00 0.00 176.91 178.61 1bs4 h TYR 539 N 0.73 0.60 -0.73 1.39 0.05 -1.05 -0.82 116.97 117.14 1bs4 h TYR 539 Ca 0.19 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1bs4 h TYR 539 Cb 0.10 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1bs4 h TYR 539 CO -0.01 0.86 0.27 0.00 -1.05 0.00 0.00 178.16 178.23 1bs4 h ALA 540 N 1.11 1.09 -0.01 3.88 0.00 -0.84 -2.17 119.26 122.32 1bs4 h ALA 540 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1bs4 h ALA 540 Cb 0.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bs4 h ALA 540 CO 0.08 0.63 -0.20 0.39 0.00 0.00 0.00 179.25 180.16 1bs4 n GLU 541 N -4.27 0.92 -3.34 0.00 -0.58 -0.59 -4.96 120.64 107.81 1bs4 n GLU 541 Ca 0.06 -0.51 -0.18 0.00 -0.42 0.00 0.00 57.16 56.12 1bs4 n GLU 541 Cb 0.20 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1bs4 n GLU 541 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs4 n GLU 542 N -0.60 -6.29 -2.84 3.49 1.02 -0.71 -5.04 120.64 109.67 1bs4 n GLU 542 Ca 0.13 0.72 -0.19 0.00 -0.02 0.00 0.00 57.16 57.80 1bs4 n GLU 542 Cb 0.34 -5.39 0.02 0.00 -0.02 0.00 0.00 31.44 26.39 1bs4 n GLU 542 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs4 s GLY 543 N -3.69 1.89 0.00 0.62 0.00 -0.40 -5.03 107.32 100.72 1bs4 s GLY 543 Ca 0.27 -1.53 0.12 0.00 0.00 0.00 0.00 44.72 43.58 1bs4 s GLY 543 CO 0.62 -1.29 0.80 0.29 0.00 0.00 0.00 173.10 173.51 1bs4 n ILE 544 N -2.08 0.00 -3.59 0.90 -5.35 -1.26 -4.68 119.36 103.30 1bs4 n ILE 544 Ca 0.08 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 1bs4 n ILE 544 Cb 0.59 1.20 -0.05 0.00 -1.74 0.00 0.00 39.64 39.65 1bs4 n ILE 544 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs4 s GLY 545 N -1.24 -0.37 -0.21 3.28 0.00 -1.26 -1.43 107.32 106.08 1bs4 s GLY 545 Ca 0.12 0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.97 1bs4 s GLY 545 CO 0.22 -0.01 0.54 -2.27 0.00 0.00 0.00 173.10 171.58 1bs4 s LEU 546 N -2.44 -0.32 0.15 0.66 2.96 -0.29 -4.86 118.68 114.54 1bs4 s LEU 546 Ca -0.01 1.14 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 1bs4 s LEU 546 Cb 0.00 1.84 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 1bs4 s LEU 546 CO -0.08 -0.20 0.11 0.00 -1.32 0.00 0.00 176.35 174.86 1bs4 s ALA 547 N 1.03 3.54 0.40 5.97 0.00 -1.26 -1.26 121.76 130.17 1bs4 s ALA 547 Ca -0.06 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.78 1bs4 s ALA 547 Cb -0.06 -1.34 0.81 0.00 0.00 0.00 0.00 23.12 22.53 1bs4 s ALA 547 CO -0.09 0.54 2.01 0.00 0.00 0.00 0.00 175.76 178.22 1bs4 h ALA 548 N 2.58 1.63 0.00 0.00 0.00 -1.34 -1.10 119.26 121.03 1bs4 h ALA 548 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bs4 h ALA 548 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bs4 h ALA 548 CO 0.63 0.30 0.00 0.00 0.00 0.00 0.00 179.25 180.18 1bs4 h THR 549 N 0.49 0.00 0.00 0.00 1.03 -1.70 -0.30 112.91 112.43 1bs4 h THR 549 Ca 0.12 -0.27 -0.07 0.00 -0.01 0.00 0.00 66.41 66.18 1bs4 h THR 549 Cb 0.07 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.32 1bs4 h THR 549 CO -0.02 0.00 -0.34 1.56 -0.01 0.00 0.00 175.52 176.72 1bs4 h GLN 550 N 0.00 0.00 -0.49 0.00 4.20 -1.49 -2.25 115.11 115.07 1bs4 h GLN 550 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1bs4 h GLN 550 Cb 0.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1bs4 h GLN 550 CO 0.00 0.34 0.05 1.33 -0.67 0.00 0.00 178.83 179.87 1bs4 n VAL 551 N -3.34 2.64 -2.87 -0.54 0.24 -0.23 -0.78 118.33 113.46 1bs4 n VAL 551 Ca 0.01 -1.67 -0.17 0.00 -2.04 0.00 0.00 64.34 60.47 1bs4 n VAL 551 Cb 0.56 -0.29 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 1bs4 n VAL 551 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs4 n ASP 552 N 0.02 -4.96 -4.02 -1.34 2.03 -0.85 -4.89 116.55 102.54 1bs4 n ASP 552 Ca 0.28 -0.23 -0.31 0.00 0.52 0.00 0.00 54.79 55.05 1bs4 n ASP 552 Cb 1.13 -3.79 -0.15 0.00 -0.72 0.00 0.00 41.12 37.59 1bs4 n ASP 552 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs4 s ILE 553 N -3.03 2.02 -1.11 5.18 1.01 -0.58 -5.00 121.20 119.69 1bs4 s ILE 553 Ca 0.24 -1.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.18 1bs4 s ILE 553 Cb -0.11 -2.24 0.27 0.00 0.01 0.00 0.00 42.46 40.39 1bs4 s ILE 553 CO 0.30 -0.17 1.87 1.41 0.00 0.00 0.00 174.94 178.36 1bs4 n HIS 554 N 4.46 2.63 -4.28 3.97 8.25 -1.26 -2.29 115.22 126.70 1bs4 n HIS 554 Ca -0.10 -2.63 -0.15 0.00 -0.26 0.00 0.00 57.72 54.58 1bs4 n HIS 554 Cb 0.42 -1.38 -0.10 0.00 1.12 0.00 0.00 29.99 30.05 1bs4 n HIS 554 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs4 s GLN 555 N -3.12 1.15 -1.29 -0.41 -0.21 -1.26 -1.31 119.66 113.21 1bs4 s GLN 555 Ca 0.40 -1.51 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 1bs4 s GLN 555 Cb 0.15 -0.70 0.10 0.00 1.00 0.00 0.00 33.01 33.56 1bs4 s GLN 555 CO -0.07 0.06 1.73 0.54 -2.12 0.00 0.00 175.29 175.43 1bs4 n ARG 556 N -0.26 3.22 -4.28 2.91 1.74 -0.24 -4.53 116.66 115.22 1bs4 n ARG 556 Ca -0.09 -3.36 -0.20 0.00 -0.77 0.00 0.00 57.85 53.43 1bs4 n ARG 556 Cb 0.61 -3.33 -0.16 0.00 -1.02 0.00 0.00 32.46 28.56 1bs4 n ARG 556 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs4 s ILE 557 N 3.25 0.67 -0.01 0.55 1.01 -1.26 -0.89 121.20 124.52 1bs4 s ILE 557 Ca 0.50 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1bs4 s ILE 557 Cb 0.04 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1bs4 s ILE 557 CO 0.04 0.24 -0.09 -0.63 0.00 0.00 0.00 174.94 174.50 1bs4 s ILE 558 N 0.66 0.70 0.02 2.92 1.01 -0.42 -1.11 121.20 124.98 1bs4 s ILE 558 Ca -0.10 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1bs4 s ILE 558 Cb -0.13 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1bs4 s ILE 558 CO 0.01 0.20 -0.25 0.68 0.00 0.00 0.00 174.94 175.59 1bs4 s VAL 559 N -0.14 2.25 -0.01 2.92 -7.23 -0.39 -1.40 120.40 116.40 1bs4 s VAL 559 Ca 0.02 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1bs4 s VAL 559 Cb -0.04 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.05 1bs4 s VAL 559 CO -0.00 0.45 0.04 -0.63 -0.31 0.00 0.00 175.10 174.64 1bs4 s ILE 560 N -0.75 0.03 -0.22 -0.62 1.01 -0.25 -1.14 121.20 119.25 1bs4 s ILE 560 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1bs4 s ILE 560 Cb -0.10 -0.13 0.11 0.00 0.01 0.00 0.00 42.46 42.34 1bs4 s ILE 560 CO 0.01 -0.12 0.27 -0.62 0.00 0.00 0.00 174.94 174.48 1bs4 s ASP 561 N -0.36 1.12 -0.10 3.58 -1.08 -0.51 -1.34 116.67 117.98 1bs4 s ASP 561 Ca -0.04 -0.17 0.16 0.00 -0.52 0.00 0.00 52.55 51.98 1bs4 s ASP 561 Cb -0.03 0.59 0.58 0.00 -1.46 0.00 0.00 42.92 42.60 1bs4 s ASP 561 CO -0.00 -0.33 1.50 1.33 0.52 0.00 0.00 175.17 178.19 1bs4 n VAL 562 N 5.33 1.71 -2.23 1.11 0.24 -1.26 -4.57 118.33 118.66 1bs4 n VAL 562 Ca -0.05 -1.29 -0.33 0.00 -2.04 0.00 0.00 64.34 60.64 1bs4 n VAL 562 Cb 0.49 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1bs4 n VAL 562 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs4 s SER 563 N -1.15 6.12 0.25 -1.34 1.04 -1.26 -4.97 113.70 112.39 1bs4 s SER 563 Ca 0.43 1.76 0.11 0.00 0.48 0.00 0.00 55.95 58.73 1bs4 s SER 563 Cb 0.28 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 64.12 1bs4 s SER 563 CO 0.20 -0.93 1.55 -0.33 0.98 0.00 0.00 173.24 174.70 1bs4 h GLU 564 N 0.77 0.00 -0.02 4.02 3.07 -2.01 -3.15 114.58 117.26 1bs4 h GLU 564 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1bs4 h GLU 564 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1bs4 h GLU 564 CO 0.59 0.68 -0.00 0.09 -1.40 0.00 0.00 179.01 178.96 1bs4 n ASN 565 N -3.66 1.85 -2.49 1.42 3.02 -1.26 -4.94 115.26 109.21 1bs4 n ASN 565 Ca -0.01 -1.62 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 1bs4 n ASN 565 Cb 0.68 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.88 1bs4 n ASN 565 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs4 n ARG 566 N 0.45 -4.20 -1.38 3.52 5.12 -1.19 -4.92 116.66 114.06 1bs4 n ARG 566 Ca 0.18 0.71 0.04 0.00 -1.93 0.00 0.00 57.85 56.85 1bs4 n ARG 566 Cb 0.41 -5.17 0.06 0.00 -1.16 0.00 0.00 32.46 26.60 1bs4 n ARG 566 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs4 n ASP 567 N -1.66 1.25 -3.65 0.55 5.75 -1.26 -4.97 116.55 112.56 1bs4 n ASP 567 Ca -0.08 -2.45 -0.29 0.00 -0.01 0.00 0.00 54.79 51.96 1bs4 n ASP 567 Cb 0.59 -0.36 -0.12 0.00 -1.03 0.00 0.00 41.12 40.19 1bs4 n ASP 567 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1bs4 s GLU 568 N -0.97 1.25 -0.28 0.11 2.12 -1.26 -5.09 118.70 114.58 1bs4 s GLU 568 Ca 0.35 -2.06 -0.28 0.00 0.36 0.00 0.00 54.97 53.35 1bs4 s GLU 568 Cb 0.38 -2.18 0.01 0.00 0.26 0.00 0.00 34.13 32.60 1bs4 s GLU 568 CO -0.14 -1.21 0.99 1.03 -0.54 0.00 0.00 175.26 175.39 1bs4 s ARG 569 N 0.24 4.12 -0.16 4.30 0.52 -1.26 -4.35 118.95 122.35 1bs4 s ARG 569 Ca 0.20 1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1bs4 s ARG 569 Cb -0.19 -3.70 -0.00 0.00 0.52 0.00 0.00 34.95 31.59 1bs4 s ARG 569 CO -0.04 -0.74 -0.13 -1.17 0.02 0.00 0.00 175.30 173.24 1bs4 s LEU 570 N 3.31 2.56 -0.15 2.53 2.96 -0.45 -5.02 118.68 124.42 1bs4 s LEU 570 Ca 0.42 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1bs4 s LEU 570 Cb -0.14 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1bs4 s LEU 570 CO 0.11 0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 1bs4 s VAL 571 N 0.87 3.36 -0.28 1.68 1.01 -1.26 -1.09 120.40 124.69 1bs4 s VAL 571 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1bs4 s VAL 571 Cb -0.15 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1bs4 s VAL 571 CO -0.01 0.50 -0.07 -0.76 0.00 0.00 0.00 175.10 174.76 1bs4 s LEU 572 N 0.51 3.74 -0.14 3.92 1.43 -0.49 -4.52 118.68 123.13 1bs4 s LEU 572 Ca -0.06 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.46 1bs4 s LEU 572 Cb -0.15 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1bs4 s LEU 572 CO 0.03 -0.23 -0.02 -0.63 0.23 0.00 0.00 176.35 175.73 1bs4 s ILE 573 N 1.07 4.03 -1.29 -0.59 1.01 -0.44 -1.30 121.20 123.70 1bs4 s ILE 573 Ca -0.05 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 1bs4 s ILE 573 Cb -0.20 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 1bs4 s ILE 573 CO -0.05 0.52 0.61 0.59 0.00 0.00 0.00 174.94 176.61 1bs4 n ASN 574 N 3.16 -2.30 -4.76 3.58 3.02 -0.07 -0.78 115.26 117.11 1bs4 n ASN 574 Ca -0.18 -0.97 -0.38 0.00 -0.03 0.00 0.00 54.58 53.03 1bs4 n ASN 574 Cb 0.53 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1bs4 n ASN 574 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs4 s PRO 575 N -6.21 3.60 -0.05 3.52 0.04 -1.26 -4.54 135.00 130.09 1bs4 s PRO 575 Ca 0.17 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1bs4 s PRO 575 Cb -0.06 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1bs4 s PRO 575 CO 0.86 -0.72 -0.04 -1.21 0.04 0.00 0.00 177.00 175.93 1bs4 s GLU 576 N -2.73 0.84 -0.32 4.56 2.02 0.14 -4.99 118.70 118.22 1bs4 s GLU 576 Ca 0.65 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 55.28 1bs4 s GLU 576 Cb -0.32 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.00 1bs4 s GLU 576 CO 0.39 -0.14 1.10 -1.17 0.02 0.00 0.00 175.26 175.46 1bs4 s LEU 577 N 1.20 3.92 -0.13 1.80 2.96 -1.26 -1.50 118.68 125.66 1bs4 s LEU 577 Ca -0.07 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 54.76 1bs4 s LEU 577 Cb -0.14 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.76 1bs4 s LEU 577 CO -0.02 -0.91 0.42 -0.07 -1.32 0.00 0.00 176.35 174.45 1bs4 h LEU 578 N 10.19 0.31 -7.09 -0.68 3.38 -1.08 -3.49 115.31 116.86 1bs4 h LEU 578 Ca -0.21 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 56.92 1bs4 h LEU 578 Cb 1.06 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1bs4 h LEU 578 CO 1.04 1.67 0.14 -1.83 0.09 0.00 0.00 178.44 179.55 1bs4 s GLU 579 N -2.48 1.20 0.10 1.13 -1.05 -1.05 -5.00 118.70 111.56 1bs4 s GLU 579 Ca -0.23 -0.42 -0.12 0.00 -0.15 0.00 0.00 54.97 54.05 1bs4 s GLU 579 Cb 0.05 0.55 0.02 0.00 -0.44 0.00 0.00 34.13 34.31 1bs4 s GLU 579 CO 0.73 -0.50 0.29 -1.59 0.95 0.00 0.00 175.26 175.14 1bs4 s LYS 580 N -3.39 0.94 0.17 -4.83 -2.85 -1.26 -0.05 119.74 108.46 1bs4 s LYS 580 Ca -0.00 -0.84 -0.20 0.00 -1.00 0.00 0.00 55.97 53.93 1bs4 s LYS 580 Cb -0.00 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1bs4 s LYS 580 CO -0.10 -0.33 0.54 -1.54 0.10 0.00 0.00 175.35 174.02 1bs4 s SER 581 N -2.82 -0.39 0.00 0.03 1.04 -0.44 -5.00 113.70 106.13 1bs4 s SER 581 Ca 0.04 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1bs4 s SER 581 Cb 0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1bs4 s SER 581 CO -0.11 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1bs4 n GLY 582 N -0.34 -1.59 3.07 7.32 0.00 -1.26 -1.44 105.19 110.96 1bs4 n GLY 582 Ca -0.14 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1bs4 n GLY 582 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs4 s GLU 583 N -1.49 0.23 0.18 1.61 1.03 -1.26 -3.18 118.70 115.83 1bs4 s GLU 583 Ca 0.00 0.35 0.04 0.00 0.03 0.00 0.00 54.97 55.39 1bs4 s GLU 583 Cb 0.00 0.05 -0.01 0.00 -0.80 0.00 0.00 34.13 33.36 1bs4 s GLU 583 CO 0.00 -0.07 0.14 0.25 -1.33 0.00 0.00 175.26 174.26 1bs4 n THR 584 N 3.33 0.00 -3.64 1.83 -2.24 0.65 -4.56 114.28 109.65 1bs4 n THR 584 Ca -0.16 -1.31 -0.08 0.00 -2.27 0.00 0.00 64.05 60.23 1bs4 n THR 584 Cb 0.57 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 1bs4 n THR 584 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bs4 s GLY 585 N -2.27 -0.03 0.06 3.38 0.00 -1.26 -0.80 107.32 106.39 1bs4 s GLY 585 Ca 0.20 2.87 0.01 0.00 0.00 0.00 0.00 44.72 47.79 1bs4 s GLY 585 CO 0.14 1.84 -0.05 -1.50 0.00 0.00 0.00 173.10 173.53 1bs4 s ILE 586 N 0.15 0.43 -0.63 0.90 1.10 -1.26 -4.93 121.20 116.96 1bs4 s ILE 586 Ca 0.04 -1.61 -0.27 0.00 -0.51 0.00 0.00 60.65 58.30 1bs4 s ILE 586 Cb -0.05 -1.25 0.01 0.00 0.15 0.00 0.00 42.46 41.32 1bs4 s ILE 586 CO -0.08 -0.78 1.50 -1.61 -2.11 0.00 0.00 174.94 171.86 1bs4 s GLU 587 N -3.15 3.08 0.21 3.50 2.02 -1.26 -3.46 118.70 119.65 1bs4 s GLU 587 Ca 0.03 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 55.07 1bs4 s GLU 587 Cb 0.01 -4.21 -0.08 0.00 0.10 0.00 0.00 34.13 29.95 1bs4 s GLU 587 CO -0.05 -2.22 0.79 -1.21 0.02 0.00 0.00 175.26 172.60 1bs4 s GLU 588 N 6.00 4.50 0.47 1.61 2.02 -0.19 -4.69 118.70 128.41 1bs4 s GLU 588 Ca 0.51 1.12 0.05 0.00 0.02 0.00 0.00 54.97 56.67 1bs4 s GLU 588 Cb -0.11 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 31.09 1bs4 s GLU 588 CO 0.21 0.48 0.42 0.41 0.02 0.00 0.00 175.26 176.80 1bs4 n GLY 589 N 1.19 2.60 3.64 -1.39 0.00 -1.26 -2.19 105.19 107.78 1bs4 n GLY 589 Ca -0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 46.02 43.68 1bs4 n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs4 h LEU 591 N 5.93 0.00 -0.44 0.00 3.38 -1.95 -0.77 115.31 121.46 1bs4 h LEU 591 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1bs4 h LEU 591 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1bs4 h LEU 591 CO 0.17 0.00 -0.16 -1.20 0.09 0.00 0.00 178.44 177.34 1bs4 n SER 592 N -3.03 0.85 -3.19 -0.43 7.64 -1.26 -4.06 113.62 110.14 1bs4 n SER 592 Ca -0.01 -0.85 -0.23 0.00 1.01 0.00 0.00 58.87 58.79 1bs4 n SER 592 Cb 0.16 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 1bs4 n SER 592 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs4 n ILE 593 N -0.67 0.50 -1.65 0.44 5.41 -0.30 -1.89 119.36 121.21 1bs4 n ILE 593 Ca 0.14 -4.62 -0.48 0.00 1.00 0.00 0.00 62.75 58.79 1bs4 n ILE 593 Cb 0.32 -1.33 -0.05 0.00 -0.71 0.00 0.00 39.64 37.87 1bs4 n ILE 593 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bs4 n PRO 594 N 0.70 1.85 -0.91 0.38 -0.04 -1.24 -2.62 135.00 133.12 1bs4 n PRO 594 Ca 0.25 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1bs4 n PRO 594 Cb 0.53 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1bs4 n PRO 594 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bs4 n GLU 595 N 3.46 -0.32 -3.98 0.54 1.02 -1.26 -4.80 120.64 115.29 1bs4 n GLU 595 Ca 0.18 0.08 -0.36 0.00 -0.02 0.00 0.00 57.16 57.04 1bs4 n GLU 595 Cb 0.26 -3.41 -0.07 0.00 -0.02 0.00 0.00 31.44 28.20 1bs4 n GLU 595 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs4 s GLN 596 N -0.49 3.34 0.07 3.49 -1.52 -1.08 -5.11 119.66 118.35 1bs4 s GLN 596 Ca 0.00 -0.21 0.04 0.00 -1.95 0.00 0.00 55.36 53.24 1bs4 s GLN 596 Cb 0.00 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 1bs4 s GLN 596 CO 0.00 0.75 -0.11 1.03 -0.25 0.00 0.00 175.29 176.72 1bs4 s ARG 597 N -1.08 0.72 -0.10 2.91 0.52 -1.26 -4.39 118.95 116.27 1bs4 s ARG 597 Ca 0.16 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 54.14 1bs4 s ARG 597 Cb -0.12 -0.56 0.07 0.00 0.52 0.00 0.00 34.95 34.86 1bs4 s ARG 597 CO 0.05 0.11 0.67 0.00 0.02 0.00 0.00 175.30 176.15 1bs4 s ALA 598 N -1.62 -1.72 0.19 2.13 0.00 -0.93 -4.89 121.76 114.93 1bs4 s ALA 598 Ca -0.03 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1bs4 s ALA 598 Cb -0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 1bs4 s ALA 598 CO 0.01 -0.36 1.04 -1.17 0.00 0.00 0.00 175.76 175.29 1bs4 s LEU 599 N -0.82 4.53 -0.01 0.00 0.20 -1.25 -1.02 118.68 120.31 1bs4 s LEU 599 Ca -0.08 2.03 0.01 0.00 0.69 0.00 0.00 54.13 56.78 1bs4 s LEU 599 Cb -0.01 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.15 1bs4 s LEU 599 CO 0.08 -0.10 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.33 1bs4 s VAL 600 N -0.52 0.17 0.05 1.68 1.01 -1.22 -4.97 120.40 116.59 1bs4 s VAL 600 Ca 0.46 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1bs4 s VAL 600 Cb -0.28 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.84 1bs4 s VAL 600 CO 0.34 0.09 1.46 -2.84 0.00 0.00 0.00 175.10 174.15 1bs4 s PRO 601 N 0.36 4.27 0.18 2.72 0.02 -1.26 -4.17 135.00 137.12 1bs4 s PRO 601 Ca -0.03 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1bs4 s PRO 601 Cb -0.06 -3.49 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 1bs4 s PRO 601 CO -0.01 -0.58 -0.05 1.03 -0.33 0.00 0.00 177.00 177.06 1bs4 s ARG 602 N 2.12 1.17 0.43 5.54 1.81 0.02 -4.99 118.95 125.05 1bs4 s ARG 602 Ca 0.66 -1.55 -0.24 0.00 -1.72 0.00 0.00 55.73 52.89 1bs4 s ARG 602 Cb -0.35 -0.59 -0.08 0.00 -0.45 0.00 0.00 34.95 33.48 1bs4 s ARG 602 CO 0.29 -0.01 1.14 0.00 -0.68 0.00 0.00 175.30 176.04 1bs4 s ALA 603 N -3.39 3.05 0.03 2.13 0.00 -1.26 -0.25 121.76 122.06 1bs4 s ALA 603 Ca 0.22 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 1bs4 s ALA 603 Cb 0.04 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.57 1bs4 s ALA 603 CO 0.04 -0.52 1.14 1.49 0.00 0.00 0.00 175.76 177.90 1bs4 h GLU 604 N 2.31 0.51 -6.47 0.00 4.81 -1.22 -3.42 114.58 111.10 1bs4 h GLU 604 Ca -0.49 -0.53 -0.65 0.00 -0.13 0.00 0.00 59.36 57.56 1bs4 h GLU 604 Cb 1.24 0.15 -0.26 0.00 0.63 0.00 0.00 28.75 30.50 1bs4 h GLU 604 CO 0.61 1.17 -0.87 0.15 -0.73 0.00 0.00 179.01 179.34 1bs4 s LYS 605 N -3.28 1.66 -0.04 1.92 1.02 -0.52 -3.83 119.74 116.66 1bs4 s LYS 605 Ca -0.12 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.80 1bs4 s LYS 605 Cb 0.05 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1bs4 s LYS 605 CO 0.85 0.46 0.11 0.08 -0.92 0.00 0.00 175.35 175.94 1bs4 s VAL 606 N -0.78 -0.00 -0.16 3.17 1.01 -0.03 -1.33 120.40 122.28 1bs4 s VAL 606 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1bs4 s VAL 606 Cb -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1bs4 s VAL 606 CO 0.02 0.01 -0.16 -0.75 0.00 0.00 0.00 175.10 174.22 1bs4 s LYS 607 N 0.16 2.48 0.24 2.72 2.20 0.92 -0.56 119.74 127.90 1bs4 s LYS 607 Ca -0.01 -0.63 0.11 0.00 -0.36 0.00 0.00 55.97 55.08 1bs4 s LYS 607 Cb -0.02 -2.23 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 1bs4 s LYS 607 CO -0.00 -0.23 -0.20 0.96 -0.36 0.00 0.00 175.35 175.52 1bs4 s ILE 608 N 1.43 2.26 -0.06 5.43 -4.36 -0.16 -0.40 121.20 125.33 1bs4 s ILE 608 Ca 0.05 -2.25 0.05 0.00 -0.26 0.00 0.00 60.65 58.24 1bs4 s ILE 608 Cb -0.13 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 1bs4 s ILE 608 CO -0.11 -0.37 -0.22 -0.60 0.24 0.00 0.00 174.94 173.87 1bs4 s ARG 609 N -3.30 2.60 0.26 0.37 3.52 -0.57 -1.06 118.95 120.78 1bs4 s ARG 609 Ca 0.25 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 1bs4 s ARG 609 Cb -0.05 -2.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1bs4 s ARG 609 CO 0.12 0.41 0.47 0.00 -0.81 0.00 0.00 175.30 175.49 1bs4 s ALA 610 N -0.21 -0.05 -0.04 6.12 0.00 -0.45 -0.69 121.76 126.43 1bs4 s ALA 610 Ca -0.02 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1bs4 s ALA 610 Cb -0.13 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1bs4 s ALA 610 CO 0.03 -0.84 0.21 -0.51 0.00 0.00 0.00 175.76 174.66 1bs4 s LEU 611 N -3.06 4.39 0.00 0.00 1.43 0.04 -0.27 118.68 121.21 1bs4 s LEU 611 Ca 0.24 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1bs4 s LEU 611 Cb -0.00 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1bs4 s LEU 611 CO 0.11 0.32 0.00 -0.90 0.23 0.00 0.00 176.35 176.11 1bs4 n ASP 612 N 1.45 0.00 0.30 2.29 5.68 -0.01 -1.32 116.55 124.93 1bs4 n ASP 612 Ca -0.15 -0.98 0.19 0.00 -0.50 0.00 0.00 54.79 53.35 1bs4 n ASP 612 Cb 0.54 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.39 1bs4 n ASP 612 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs4 h ARG 613 N 0.00 0.00 -0.01 0.11 2.43 -1.89 -0.48 114.38 114.54 1bs4 h ARG 613 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bs4 h ARG 613 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bs4 h ARG 613 CO 0.00 0.02 -0.33 -0.25 -1.51 0.00 0.00 179.97 177.90 1bs4 n ASP 614 N -3.16 1.02 0.00 -3.80 8.00 -1.26 -4.87 116.55 112.47 1bs4 n ASP 614 Ca -0.01 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1bs4 n ASP 614 Cb 0.22 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1bs4 n ASP 614 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs4 n GLY 615 N 1.38 0.60 3.77 0.44 0.00 -0.19 -4.98 105.19 106.20 1bs4 n GLY 615 Ca 0.11 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1bs4 n GLY 615 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs4 s LYS 616 N -0.75 4.21 0.51 1.61 1.02 -1.26 -4.75 119.74 120.32 1bs4 s LYS 616 Ca 0.00 0.48 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 1bs4 s LYS 616 Cb 0.00 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.89 1bs4 s LYS 616 CO 0.00 0.37 1.13 -2.14 -0.92 0.00 0.00 175.35 173.79 1bs4 s PRO 617 N -0.08 3.55 0.08 -1.68 0.02 -1.26 -0.83 135.00 134.80 1bs4 s PRO 617 Ca 0.26 1.64 -0.15 0.00 0.02 0.00 0.00 61.00 62.77 1bs4 s PRO 617 Cb -0.16 -2.16 0.03 0.00 0.02 0.00 0.00 34.50 32.22 1bs4 s PRO 617 CO 0.12 -0.69 0.35 -0.59 -0.33 0.00 0.00 177.00 175.86 1bs4 s PHE 618 N -1.71 -0.14 0.09 6.54 -0.71 0.62 -4.88 117.98 117.80 1bs4 s PHE 618 Ca 0.69 -0.10 0.07 0.00 -1.04 0.00 0.00 56.93 56.55 1bs4 s PHE 618 Cb -0.25 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1bs4 s PHE 618 CO 0.29 -0.60 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.24 1bs4 s GLU 619 N -3.23 2.12 -0.10 1.99 2.02 -1.26 -1.34 118.70 118.90 1bs4 s GLU 619 Ca -0.00 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 1bs4 s GLU 619 Cb 0.01 -2.29 0.05 0.00 0.10 0.00 0.00 34.13 32.00 1bs4 s GLU 619 CO -0.08 0.52 0.22 -1.17 0.02 0.00 0.00 175.26 174.77 1bs4 s LEU 620 N -2.04 0.17 -0.18 1.80 2.96 -0.22 -5.01 118.68 116.16 1bs4 s LEU 620 Ca 0.20 0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1bs4 s LEU 620 Cb -0.11 0.57 -0.05 0.00 0.50 0.00 0.00 46.19 47.10 1bs4 s LEU 620 CO 0.12 -0.20 0.12 -1.61 -1.32 0.00 0.00 176.35 173.46 1bs4 s GLU 621 N 1.78 4.04 0.04 1.98 2.02 -1.26 -0.99 118.70 126.30 1bs4 s GLU 621 Ca -0.04 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.76 1bs4 s GLU 621 Cb -0.11 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1bs4 s GLU 621 CO -0.08 0.38 -0.10 0.00 0.02 0.00 0.00 175.26 175.48 1bs4 s ALA 622 N 0.13 0.80 0.00 5.21 0.00 0.28 -5.00 121.76 123.17 1bs4 s ALA 622 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1bs4 s ALA 622 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1bs4 s ALA 622 CO -0.01 0.10 0.00 -0.40 0.00 0.00 0.00 175.76 175.45 1bs4 n ASP 623 N 1.84 0.67 0.00 0.00 5.68 -1.26 -0.85 116.55 122.63 1bs4 n ASP 623 Ca -0.19 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 1bs4 n ASP 623 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1bs4 n ASP 623 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs4 n GLY 624 N 1.68 1.25 0.32 6.12 0.00 -1.25 -2.62 105.19 110.69 1bs4 n GLY 624 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 1bs4 n GLY 624 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs4 h LEU 625 N 0.00 0.86 -0.80 0.99 6.46 -2.00 -2.66 115.31 118.16 1bs4 h LEU 625 Ca 0.00 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1bs4 h LEU 625 Cb 0.00 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 1bs4 h LEU 625 CO 0.00 0.57 0.51 0.25 -0.62 0.00 0.00 178.44 179.14 1bs4 h LEU 626 N 1.00 0.83 -0.70 2.25 6.46 -1.96 -1.52 115.31 121.68 1bs4 h LEU 626 Ca 0.36 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.05 1bs4 h LEU 626 Cb 0.12 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1bs4 h LEU 626 CO -0.15 0.57 0.16 0.00 -0.62 0.00 0.00 178.44 178.39 1bs4 h ALA 627 N 1.34 0.92 -0.35 1.25 0.00 -1.22 -1.57 119.26 119.63 1bs4 h ALA 627 Ca 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bs4 h ALA 627 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1bs4 h ALA 627 CO -0.12 0.65 0.14 0.82 0.00 0.00 0.00 179.25 180.74 1bs4 h ILE 628 N 1.05 1.19 -0.11 0.00 2.04 -1.32 -2.44 117.51 117.92 1bs4 h ILE 628 Ca 0.22 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1bs4 h ILE 628 Cb 0.39 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1bs4 h ILE 628 CO 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.34 1bs4 h ILE 630 N 0.02 0.86 -0.30 0.00 2.04 -1.23 -0.48 117.51 118.42 1bs4 h ILE 630 Ca 0.05 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1bs4 h ILE 630 Cb 0.07 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1bs4 h ILE 630 CO -0.09 0.07 0.08 1.56 0.00 0.00 0.00 178.15 179.76 1bs4 h GLN 631 N 0.37 0.47 -0.57 2.37 4.20 -1.17 0.40 115.11 121.18 1bs4 h GLN 631 Ca 0.23 -0.11 0.09 0.00 0.06 0.00 0.00 58.65 58.92 1bs4 h GLN 631 Cb 0.22 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1bs4 h GLN 631 CO -0.22 0.54 0.18 1.25 -0.67 0.00 0.00 178.83 179.91 1bs4 h HIS 632 N 0.32 0.32 -0.05 2.96 2.76 -0.82 -1.57 115.15 119.06 1bs4 h HIS 632 Ca 0.09 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 58.07 1bs4 h HIS 632 Cb 0.28 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.19 1bs4 h HIS 632 CO 0.01 0.06 -0.88 0.93 -1.30 0.00 0.00 177.93 176.76 1bs4 h GLU 633 N 0.35 0.56 -0.11 5.26 4.39 -0.82 -2.82 114.58 121.37 1bs4 h GLU 633 Ca 0.29 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1bs4 h GLU 633 Cb 0.36 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1bs4 h GLU 633 CO -0.31 1.15 -0.05 0.52 -1.16 0.00 0.00 179.01 179.17 1bs4 h MET 634 N 0.34 0.16 -0.53 2.33 2.86 -0.84 -2.49 114.93 116.77 1bs4 h MET 634 Ca -0.07 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1bs4 h MET 634 Cb 1.50 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1bs4 h MET 634 CO 0.16 0.23 0.33 -0.44 1.06 0.00 0.00 176.91 178.24 1bs4 h ASP 635 N 0.16 0.53 -0.86 1.22 5.19 -1.03 -2.67 116.42 118.96 1bs4 h ASP 635 Ca 0.04 -0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.63 1bs4 h ASP 635 Cb 0.19 -0.12 -0.11 0.00 0.18 0.00 0.00 39.33 39.48 1bs4 h ASP 635 CO 0.01 0.38 0.40 0.45 -3.12 0.00 0.00 179.24 177.36 1bs4 h HIS 636 N 0.65 0.69 0.00 4.55 3.86 -1.32 -0.32 115.15 123.25 1bs4 h HIS 636 Ca 0.21 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1bs4 h HIS 636 Cb -0.00 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1bs4 h HIS 636 CO -0.06 0.07 0.00 -0.07 0.86 0.00 0.00 177.93 178.73 1bs4 h LEU 637 N 0.51 0.00 -3.19 2.43 3.38 -1.48 -0.46 115.31 116.50 1bs4 h LEU 637 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1bs4 h LEU 637 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1bs4 h LEU 637 CO -0.44 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.42 1bs4 n VAL 638 N -2.55 2.04 -0.97 1.22 0.24 -0.70 -1.26 118.33 116.36 1bs4 n VAL 638 Ca 0.01 -1.70 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 1bs4 n VAL 638 Cb 0.21 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 1bs4 n VAL 638 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs4 n GLY 639 N -0.30 0.43 3.73 7.63 0.00 -0.18 -4.78 105.19 111.72 1bs4 n GLY 639 Ca 0.19 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1bs4 n GLY 639 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs4 s LYS 640 N -1.94 2.95 0.20 1.61 1.02 -0.21 -4.52 119.74 118.85 1bs4 s LYS 640 Ca 0.00 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.56 1bs4 s LYS 640 Cb 0.00 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1bs4 s LYS 640 CO 0.00 0.65 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.41 1bs4 s LEU 641 N -1.51 2.53 0.46 3.17 1.43 -1.26 -2.94 118.68 120.55 1bs4 s LEU 641 Ca 0.20 -0.97 0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1bs4 s LEU 641 Cb -0.12 -0.78 1.09 0.00 0.03 0.00 0.00 46.19 46.41 1bs4 s LEU 641 CO 0.10 -0.10 1.91 2.19 0.23 0.00 0.00 176.35 180.69 1bs4 h PHE 642 N 2.72 0.00 0.00 0.29 -5.15 -1.97 -1.42 116.94 111.41 1bs4 h PHE 642 Ca -0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 1bs4 h PHE 642 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 1bs4 h PHE 642 CO 0.72 0.22 0.00 0.00 -2.00 0.00 0.00 178.31 177.25 1bs4 h MET 643 N 0.00 0.00 0.00 6.09 -0.00 -1.98 -2.06 114.93 116.99 1bs4 h MET 643 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1bs4 h MET 643 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1bs4 h MET 643 CO 0.03 0.00 -0.02 -0.44 -0.00 0.00 0.00 176.91 176.48 1bs4 h ASP 644 N 0.00 0.00 0.43 -0.10 3.32 -1.67 -2.03 116.42 116.37 1bs4 h ASP 644 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs4 h ASP 644 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1bs4 h ASP 644 CO 0.00 0.02 -0.17 -1.22 -1.72 0.00 0.00 179.24 176.16 1bs4 n TYR 645 N -3.17 0.00 -3.26 4.55 4.01 -0.77 -4.94 117.16 113.57 1bs4 n TYR 645 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1bs4 n TYR 645 Cb 0.22 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1bs4 n TYR 645 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs4 s LEU 646 N -2.60 3.46 0.66 7.72 1.43 -0.77 -5.01 118.68 123.57 1bs4 s LEU 646 Ca 0.24 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1bs4 s LEU 646 Cb 0.19 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1bs4 s LEU 646 CO 0.52 -0.79 1.10 -0.94 0.23 0.00 0.00 176.35 176.47 1bs4 s SER 647 N -4.29 5.14 0.36 2.29 1.04 -1.26 -4.75 113.70 112.23 1bs4 s SER 647 Ca 0.52 1.96 0.10 0.00 0.48 0.00 0.00 55.95 59.01 1bs4 s SER 647 Cb -0.07 -2.55 0.85 0.00 0.10 0.00 0.00 66.02 64.36 1bs4 s SER 647 CO 0.31 -1.61 1.87 -0.65 0.98 0.00 0.00 173.24 174.14 1bs4 h PRO 648 N -0.03 0.63 -0.26 4.02 0.11 -1.98 -0.32 132.00 134.17 1bs4 h PRO 648 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1bs4 h PRO 648 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1bs4 h PRO 648 CO 0.54 0.42 0.08 1.25 -0.21 0.00 0.00 178.00 180.08 1bs4 h LEU 649 N 0.65 0.38 -0.61 2.35 5.85 -1.99 -2.17 115.31 119.76 1bs4 h LEU 649 Ca 0.45 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1bs4 h LEU 649 Cb 0.77 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1bs4 h LEU 649 CO -0.20 0.49 0.20 0.11 -0.34 0.00 0.00 178.44 178.70 1bs4 h LYS 650 N 0.25 0.95 -0.52 1.25 1.57 -1.71 -1.87 116.57 116.50 1bs4 h LYS 650 Ca 0.08 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1bs4 h LYS 650 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1bs4 h LYS 650 CO -0.00 0.84 0.34 1.96 -0.57 0.00 0.00 179.45 182.02 1bs4 h GLN 651 N 0.87 0.59 -0.01 3.15 4.20 -0.98 -1.02 115.11 121.92 1bs4 h GLN 651 Ca 0.20 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.61 1bs4 h GLN 651 Cb 0.28 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1bs4 h GLN 651 CO -0.01 0.39 -1.01 0.37 -0.67 0.00 0.00 178.83 177.91 1bs4 h GLN 652 N 0.61 0.70 -0.53 1.46 5.75 -1.17 -1.20 115.11 120.73 1bs4 h GLN 652 Ca 0.20 -0.74 -0.04 0.00 -0.15 0.00 0.00 58.65 57.93 1bs4 h GLN 652 Cb 0.06 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1bs4 h GLN 652 CO -0.05 1.32 0.16 0.00 -2.65 0.00 0.00 178.83 177.61 1bs4 h ARG 653 N 0.38 0.79 -0.04 1.69 3.08 -0.88 -1.91 114.38 117.49 1bs4 h ARG 653 Ca -0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1bs4 h ARG 653 Cb 1.66 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 1bs4 h ARG 653 CO 0.20 0.69 -0.02 0.82 -1.07 0.00 0.00 179.97 180.58 1bs4 h ILE 654 N 0.77 1.34 -0.44 2.04 2.04 -1.01 -2.11 117.51 120.14 1bs4 h ILE 654 Ca 0.18 -1.06 0.09 0.00 1.00 0.00 0.00 64.86 65.07 1bs4 h ILE 654 Cb 0.23 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 1bs4 h ILE 654 CO -0.01 0.29 -0.16 0.03 0.00 0.00 0.00 178.15 178.29 1bs4 h ARG 655 N -0.32 -0.07 -0.68 2.37 3.08 -1.17 -1.95 114.38 115.64 1bs4 h ARG 655 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1bs4 h ARG 655 Cb 0.47 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1bs4 h ARG 655 CO 0.01 -0.04 0.13 1.96 -1.07 0.00 0.00 179.97 180.95 1bs4 h GLN 656 N -0.07 1.11 -0.79 0.04 4.20 -1.32 -1.60 115.11 116.68 1bs4 h GLN 656 Ca 0.21 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1bs4 h GLN 656 Cb 0.39 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1bs4 h GLN 656 CO -0.49 1.01 0.47 -0.22 -0.67 0.00 0.00 178.83 178.93 1bs4 h LYS 657 N 1.05 1.08 -0.06 1.46 1.63 -0.94 -2.02 116.57 118.76 1bs4 h LYS 657 Ca 0.21 -0.10 -0.18 0.00 -0.85 0.00 0.00 60.65 59.74 1bs4 h LYS 657 Cb 0.42 -0.23 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1bs4 h LYS 657 CO 0.01 0.76 -0.65 0.28 -3.45 0.00 0.00 179.45 176.40 1bs4 h VAL 658 N 1.09 1.36 -0.01 2.00 2.07 -1.16 -2.30 116.25 119.30 1bs4 h VAL 658 Ca 0.29 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 1bs4 h VAL 658 Cb -0.04 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1bs4 h VAL 658 CO -0.05 0.60 -0.10 -0.33 0.02 0.00 0.00 177.57 177.70 1bs4 h GLU 659 N 0.14 0.01 -0.03 1.57 5.08 -1.20 -0.83 114.58 119.32 1bs4 h GLU 659 Ca -0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1bs4 h GLU 659 Cb 1.31 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.57 1bs4 h GLU 659 CO 0.13 0.12 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.66 1bs4 h LYS 660 N 0.01 0.31 -0.74 2.33 3.64 -1.39 -2.41 116.57 118.33 1bs4 h LYS 660 Ca 0.00 -0.29 0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1bs4 h LYS 660 Cb 0.19 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 31.97 1bs4 h LYS 660 CO 0.01 0.97 0.18 -0.07 -2.27 0.00 0.00 179.45 178.27 1bs4 h LEU 661 N -0.23 0.02 -0.28 5.20 3.38 -0.79 -1.78 115.31 120.82 1bs4 h LEU 661 Ca -0.04 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bs4 h LEU 661 Cb 1.07 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1bs4 h LEU 661 CO 0.08 -0.03 0.00 0.44 0.09 0.00 0.00 178.44 179.01 1bs4 h ASP 662 N 0.27 0.00 0.07 -0.43 3.32 -1.06 -2.80 116.42 115.79 1bs4 h ASP 662 Ca 0.41 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 1bs4 h ASP 662 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1bs4 h ASP 662 CO -0.51 0.00 -0.03 0.03 -1.72 0.00 0.00 179.24 177.01 1bs4 h ARG 663 N 0.00 -0.09 0.27 3.56 3.08 -0.81 -2.90 114.38 117.50 1bs4 h ARG 663 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1bs4 h ARG 663 Cb 0.85 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1bs4 h ARG 663 CO 0.00 0.24 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.94 1bs4 h LEU 664 N -0.42 -0.31 -1.19 3.04 -0.00 -1.43 -1.88 115.31 113.11 1bs4 h LEU 664 Ca -0.01 -0.14 0.45 0.00 -0.00 0.00 0.00 57.88 58.17 1bs4 h LEU 664 Cb 0.37 0.08 -0.16 0.00 -0.00 0.00 0.00 40.66 40.95 1bs4 h LEU 664 CO 0.02 -0.02 0.71 0.50 -0.00 0.00 0.00 178.44 179.64 1bs4 h LYS 665 N -0.61 0.00 -1.15 1.13 3.64 -1.59 0.40 116.57 118.38 1bs4 h LYS 665 Ca -0.04 -0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.73 1bs4 h LYS 665 Cb 0.44 -0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.00 1bs4 h LYS 665 CO 0.06 0.00 0.79 0.00 -2.27 0.00 0.00 179.45 178.03 1bs4 n ALA 666 N -2.39 6.10 -1.84 5.00 0.00 -0.71 -5.00 120.51 121.68 1bs4 n ALA 666 Ca 0.39 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 50.30 1bs4 n ALA 666 Cb 1.43 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1bs4 n ALA 666 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1bs4 s ARG 667 N -3.40 4.21 0.00 0.00 1.04 0.14 -5.00 118.95 115.94 1bs4 s ARG 667 Ca 0.57 2.40 0.23 0.00 -1.04 0.00 0.00 55.73 57.90 1bs4 s ARG 667 Cb 0.45 -3.08 0.18 0.00 -2.04 0.00 0.00 34.95 30.46 1bs4 s ARG 667 CO -0.03 -0.51 1.24 0.00 -0.04 0.00 0.00 175.30 175.96