#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs5 s VAL 502 N 0.00 5.00 0.21 0.44 1.01 -1.26 -4.43 120.40 121.37 1bs5 s VAL 502 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1bs5 s VAL 502 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1bs5 s VAL 502 CO 0.00 0.20 0.32 -0.76 0.00 0.00 0.00 175.10 174.86 1bs5 s LEU 503 N 1.07 4.28 0.06 3.92 1.43 -1.26 -5.02 118.68 123.16 1bs5 s LEU 503 Ca 0.39 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 1bs5 s LEU 503 Cb -0.18 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1bs5 s LEU 503 CO 0.18 -0.02 0.90 -1.58 0.23 0.00 0.00 176.35 176.06 1bs5 s GLN 504 N -3.68 4.60 -0.15 1.70 0.74 -1.26 -4.95 119.66 116.66 1bs5 s GLN 504 Ca 0.34 1.32 -0.15 0.00 0.05 0.00 0.00 55.36 56.92 1bs5 s GLN 504 Cb -0.10 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1bs5 s GLN 504 CO 0.28 0.16 0.33 0.08 -0.55 0.00 0.00 175.29 175.59 1bs5 s VAL 505 N 0.28 5.28 0.51 1.34 1.01 -1.26 -4.47 120.40 123.09 1bs5 s VAL 505 Ca 0.46 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 1bs5 s VAL 505 Cb -0.22 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1bs5 s VAL 505 CO 0.27 0.37 1.03 -0.76 0.00 0.00 0.00 175.10 176.01 1bs5 s LEU 506 N 0.53 3.74 0.27 3.92 1.43 -0.32 -4.98 118.68 123.27 1bs5 s LEU 506 Ca 0.19 1.82 0.11 0.00 -1.03 0.00 0.00 54.13 55.22 1bs5 s LEU 506 Cb -0.13 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 1bs5 s LEU 506 CO 0.05 -0.81 -0.18 -1.00 0.23 0.00 0.00 176.35 174.65 1bs5 s HIS 507 N -2.21 2.18 0.44 0.29 3.76 -1.26 -4.16 115.29 114.33 1bs5 s HIS 507 Ca 0.65 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.91 1bs5 s HIS 507 Cb -0.15 -0.98 -0.08 0.00 1.11 0.00 0.00 32.58 32.49 1bs5 s HIS 507 CO 0.25 0.63 1.27 0.96 -0.85 0.00 0.00 174.74 177.00 1bs5 s ILE 508 N -2.62 2.70 -0.47 0.60 -4.36 -0.64 -1.07 121.20 115.35 1bs5 s ILE 508 Ca 0.29 0.58 0.02 0.00 -0.26 0.00 0.00 60.65 61.28 1bs5 s ILE 508 Cb -0.03 -3.32 0.54 0.00 1.25 0.00 0.00 42.46 40.90 1bs5 s ILE 508 CO 0.13 0.05 1.90 -0.81 0.24 0.00 0.00 174.94 176.45 1bs5 n PRO 509 N -0.21 2.26 -1.66 0.37 -0.04 -1.26 -4.75 135.00 129.71 1bs5 n PRO 509 Ca 0.06 -2.81 -0.49 0.00 -0.04 0.00 0.00 63.50 60.21 1bs5 n PRO 509 Cb 0.45 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.76 1bs5 n PRO 509 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bs5 n ASP 510 N -0.90 2.89 0.00 3.54 -0.08 -0.23 -4.84 116.55 116.93 1bs5 n ASP 510 Ca 0.55 1.06 0.11 0.00 -1.51 0.00 0.00 54.79 55.00 1bs5 n ASP 510 Cb 1.27 -1.34 0.56 0.00 2.34 0.00 0.00 41.12 43.94 1bs5 n ASP 510 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bs5 n GLU 511 N 4.38 0.21 0.21 -0.67 1.02 -1.26 -2.15 120.64 122.38 1bs5 n GLU 511 Ca 0.20 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.52 1bs5 n GLU 511 Cb 0.26 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.39 1bs5 n GLU 511 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bs5 h ARG 512 N 0.00 0.00 0.00 3.49 3.08 -1.96 -2.63 114.38 116.36 1bs5 h ARG 512 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bs5 h ARG 512 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1bs5 h ARG 512 CO 0.00 0.12 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 1bs5 n LEU 513 N -3.14 0.00 -0.80 3.04 4.32 -0.92 -2.26 117.00 117.24 1bs5 n LEU 513 Ca 0.03 0.31 0.07 0.00 -0.02 0.00 0.00 56.01 56.40 1bs5 n LEU 513 Cb 0.54 -0.31 0.22 0.00 -1.62 0.00 0.00 43.42 42.25 1bs5 n LEU 513 CO 0.35 -0.23 0.68 0.54 -1.22 0.00 0.00 177.39 177.51 1bs5 n ARG 514 N -1.31 2.93 -3.63 3.23 5.12 -0.99 -4.44 116.66 117.57 1bs5 n ARG 514 Ca 0.04 -2.52 -0.37 0.00 -1.93 0.00 0.00 57.85 53.07 1bs5 n ARG 514 Cb 0.07 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 29.70 1bs5 n ARG 514 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs5 s LYS 515 N -2.07 3.74 -0.27 5.56 1.02 -0.96 -4.55 119.74 122.21 1bs5 s LYS 515 Ca 0.35 0.18 -0.22 0.00 0.02 0.00 0.00 55.97 56.30 1bs5 s LYS 515 Cb 0.25 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1bs5 s LYS 515 CO 0.12 0.68 0.70 0.08 -0.92 0.00 0.00 175.35 176.01 1bs5 s VAL 516 N -1.16 4.92 0.61 3.17 1.01 -1.26 -3.76 120.40 123.93 1bs5 s VAL 516 Ca 0.24 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 63.25 1bs5 s VAL 516 Cb -0.15 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1bs5 s VAL 516 CO 0.13 -0.06 1.13 0.00 0.00 0.00 0.00 175.10 176.30 1bs5 s ALA 517 N 2.66 2.55 0.27 5.51 0.00 -0.22 -4.97 121.76 127.55 1bs5 s ALA 517 Ca 0.29 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1bs5 s ALA 517 Cb -0.15 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1bs5 s ALA 517 CO 0.09 -1.10 0.63 0.15 0.00 0.00 0.00 175.76 175.53 1bs5 s LYS 518 N -3.70 3.88 0.47 0.00 -0.14 0.29 -4.78 119.74 115.75 1bs5 s LYS 518 Ca 0.70 0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 55.51 1bs5 s LYS 518 Cb -0.23 -2.56 -0.07 0.00 -1.68 0.00 0.00 37.83 33.29 1bs5 s LYS 518 CO 0.35 0.25 1.23 -1.25 -0.76 0.00 0.00 175.35 175.17 1bs5 s PRO 519 N -2.91 3.66 0.08 -1.68 0.04 -1.26 -0.65 135.00 132.28 1bs5 s PRO 519 Ca 0.50 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1bs5 s PRO 519 Cb -0.11 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1bs5 s PRO 519 CO 0.20 -0.68 1.36 0.08 0.04 0.00 0.00 177.00 178.00 1bs5 s VAL 520 N -1.44 3.52 0.06 -0.36 1.01 -1.26 -4.80 120.40 117.13 1bs5 s VAL 520 Ca 0.64 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.54 1bs5 s VAL 520 Cb -0.33 -3.68 -0.30 0.00 0.00 0.00 0.00 36.38 32.08 1bs5 s VAL 520 CO 0.40 0.06 1.10 -0.08 0.00 0.00 0.00 175.10 176.58 1bs5 h GLU 521 N 7.04 0.60 -2.14 2.72 4.81 -2.01 -3.46 114.58 122.14 1bs5 h GLU 521 Ca -0.41 -0.82 -0.03 0.00 -0.13 0.00 0.00 59.36 57.96 1bs5 h GLU 521 Cb 1.20 0.28 -0.22 0.00 0.63 0.00 0.00 28.75 30.64 1bs5 h GLU 521 CO 0.86 1.38 0.01 -2.00 -0.73 0.00 0.00 179.01 178.53 1bs5 s GLU 522 N -2.94 0.71 -1.00 1.92 2.12 -1.26 -5.10 118.70 113.15 1bs5 s GLU 522 Ca -0.09 1.03 -0.19 0.00 0.36 0.00 0.00 54.97 56.08 1bs5 s GLU 522 Cb 0.06 0.24 0.11 0.00 0.26 0.00 0.00 34.13 34.80 1bs5 s GLU 522 CO 0.93 -0.12 1.26 0.08 -0.54 0.00 0.00 175.26 176.87 1bs5 s VAL 523 N 0.97 4.56 0.00 3.70 1.01 -1.26 -4.83 120.40 124.54 1bs5 s VAL 523 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1bs5 s VAL 523 Cb -0.05 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1bs5 s VAL 523 CO -0.09 -1.64 0.00 -0.46 0.00 0.00 0.00 175.10 172.91 1bs5 n ASN 524 N 7.05 1.32 0.20 3.32 0.23 -1.26 -4.76 115.26 121.36 1bs5 n ASN 524 Ca 0.28 -0.43 0.08 0.00 -0.53 0.00 0.00 54.58 53.99 1bs5 n ASN 524 Cb 0.49 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.49 1bs5 n ASN 524 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs5 h ALA 525 N 0.54 0.92 -0.38 -2.53 0.00 -1.98 -0.75 119.26 115.07 1bs5 h ALA 525 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bs5 h ALA 525 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bs5 h ALA 525 CO 0.00 0.36 0.18 1.49 0.00 0.00 0.00 179.25 181.28 1bs5 h GLU 526 N 0.00 0.55 -0.64 0.00 4.81 -1.96 -2.55 114.58 114.79 1bs5 h GLU 526 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1bs5 h GLU 526 Cb 0.96 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1bs5 h GLU 526 CO 0.04 0.49 0.10 0.82 -0.73 0.00 0.00 179.01 179.72 1bs5 h ILE 527 N 0.47 1.26 0.00 2.32 1.08 -1.62 -2.37 117.51 118.66 1bs5 h ILE 527 Ca 0.13 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1bs5 h ILE 527 Cb 0.12 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1bs5 h ILE 527 CO -0.02 0.38 0.00 1.56 -0.69 0.00 0.00 178.15 179.39 1bs5 h GLN 528 N 0.99 0.00 0.17 2.37 4.20 -1.16 -1.87 115.11 119.82 1bs5 h GLN 528 Ca 0.20 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.59 1bs5 h GLN 528 Cb 0.44 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1bs5 h GLN 528 CO 0.01 0.00 -1.52 -0.09 -0.67 0.00 0.00 178.83 176.57 1bs5 h ARG 529 N 0.00 0.35 -0.49 1.46 2.43 -1.28 -2.56 114.38 114.28 1bs5 h ARG 529 Ca 0.00 -0.60 0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1bs5 h ARG 529 Cb 0.69 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 1bs5 h ARG 529 CO 0.00 1.25 0.07 0.82 -1.51 0.00 0.00 179.97 180.60 1bs5 h ILE 530 N 0.10 0.69 -0.47 1.20 2.04 -0.93 -1.93 117.51 118.22 1bs5 h ILE 530 Ca -0.25 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1bs5 h ILE 530 Cb 2.06 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1bs5 h ILE 530 CO 0.20 0.04 0.30 0.58 0.00 0.00 0.00 178.15 179.27 1bs5 h VAL 531 N 0.20 1.11 -0.88 1.67 2.07 -1.34 -1.18 116.25 117.89 1bs5 h VAL 531 Ca 0.25 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1bs5 h VAL 531 Cb 0.35 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1bs5 h VAL 531 CO -0.35 0.11 0.46 0.44 0.02 0.00 0.00 177.57 178.25 1bs5 h ASP 532 N 0.62 1.12 0.30 0.57 3.32 -1.02 -0.86 116.42 120.47 1bs5 h ASP 532 Ca 0.17 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1bs5 h ASP 532 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1bs5 h ASP 532 CO -0.05 0.92 -0.61 0.44 -1.72 0.00 0.00 179.24 178.22 1bs5 h ASP 533 N 1.24 0.35 -0.02 6.45 3.32 -0.97 -1.59 116.42 125.20 1bs5 h ASP 533 Ca 0.31 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1bs5 h ASP 533 Cb 0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1bs5 h ASP 533 CO -0.04 0.88 -0.38 0.24 -1.72 0.00 0.00 179.24 178.21 1bs5 h MET 534 N 0.23 0.52 -0.13 3.56 2.86 -0.48 0.18 114.93 121.67 1bs5 h MET 534 Ca -0.01 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1bs5 h MET 534 Cb 1.13 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1bs5 h MET 534 CO 0.10 0.82 0.00 0.74 1.06 0.00 0.00 176.91 179.63 1bs5 h PHE 535 N 0.43 0.25 -0.90 -0.22 0.04 -1.11 -0.13 116.94 115.31 1bs5 h PHE 535 Ca 0.04 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1bs5 h PHE 535 Cb 0.86 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 1bs5 h PHE 535 CO 0.03 0.46 0.59 1.49 -0.60 0.00 0.00 178.31 180.28 1bs5 h GLU 536 N -0.03 1.14 -0.15 1.51 4.81 -1.09 0.70 114.58 121.48 1bs5 h GLU 536 Ca 0.04 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1bs5 h GLU 536 Cb 0.36 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1bs5 h GLU 536 CO 0.01 0.75 -0.25 1.15 -0.73 0.00 0.00 179.01 179.94 1bs5 h THR 537 N 1.17 1.36 -0.35 0.32 2.02 -0.60 -1.78 112.91 115.05 1bs5 h THR 537 Ca 0.34 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1bs5 h THR 537 Cb -0.07 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1bs5 h THR 537 CO -0.09 0.44 0.19 -0.03 0.37 0.00 0.00 175.52 176.41 1bs5 h MET 538 N 0.04 0.49 -0.46 6.66 1.85 -0.55 -1.04 114.93 121.91 1bs5 h MET 538 Ca 0.01 -0.06 -0.09 0.00 -0.61 0.00 0.00 59.70 58.95 1bs5 h MET 538 Cb 0.83 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.74 1bs5 h MET 538 CO 0.06 0.40 -0.09 1.88 -0.40 0.00 0.00 176.91 178.76 1bs5 h TYR 539 N 0.44 0.90 -0.65 1.39 0.05 -0.94 0.07 116.97 118.24 1bs5 h TYR 539 Ca 0.12 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1bs5 h TYR 539 Cb 0.06 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1bs5 h TYR 539 CO -0.03 0.87 0.26 0.00 -1.05 0.00 0.00 178.16 178.21 1bs5 h ALA 540 N 1.15 1.24 -0.01 3.88 0.00 -1.06 -1.85 119.26 122.62 1bs5 h ALA 540 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bs5 h ALA 540 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bs5 h ALA 540 CO 0.04 0.56 -0.32 0.39 0.00 0.00 0.00 179.25 179.91 1bs5 n GLU 541 N -4.31 0.68 -3.25 0.00 -0.58 -0.42 -4.98 120.64 107.79 1bs5 n GLU 541 Ca 0.06 -0.41 -0.15 0.00 -0.42 0.00 0.00 57.16 56.23 1bs5 n GLU 541 Cb 0.17 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.62 1bs5 n GLU 541 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs5 n GLU 542 N -0.80 -3.58 -3.57 3.49 1.02 -0.13 -5.06 120.64 112.02 1bs5 n GLU 542 Ca 0.11 0.83 -0.21 0.00 -0.02 0.00 0.00 57.16 57.87 1bs5 n GLU 542 Cb 0.35 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.04 1bs5 n GLU 542 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs5 s GLY 543 N -3.69 2.15 0.00 0.62 0.00 -0.38 -5.03 107.32 100.98 1bs5 s GLY 543 Ca 0.29 -1.86 0.11 0.00 0.00 0.00 0.00 44.72 43.26 1bs5 s GLY 543 CO 0.71 -1.71 0.47 0.29 0.00 0.00 0.00 173.10 172.86 1bs5 n ILE 544 N -1.58 0.00 -3.80 0.90 -5.35 -1.26 -4.67 119.36 103.60 1bs5 n ILE 544 Ca 0.04 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1bs5 n ILE 544 Cb 0.62 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.44 1bs5 n ILE 544 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs5 s GLY 545 N -2.05 -0.04 -0.16 3.28 0.00 -1.26 0.30 107.32 107.40 1bs5 s GLY 545 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1bs5 s GLY 545 CO 0.46 -0.38 0.40 -2.27 0.00 0.00 0.00 173.10 171.30 1bs5 s LEU 546 N -2.18 0.10 0.04 0.66 2.96 -0.02 -4.87 118.68 115.37 1bs5 s LEU 546 Ca -0.04 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1bs5 s LEU 546 Cb -0.00 1.31 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 1bs5 s LEU 546 CO -0.05 -0.18 0.16 0.00 -1.32 0.00 0.00 176.35 174.97 1bs5 s ALA 547 N 1.06 3.86 0.35 5.97 0.00 -1.26 -1.29 121.76 130.45 1bs5 s ALA 547 Ca -0.07 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1bs5 s ALA 547 Cb -0.07 -1.74 0.71 0.00 0.00 0.00 0.00 23.12 22.02 1bs5 s ALA 547 CO -0.09 0.78 1.93 0.00 0.00 0.00 0.00 175.76 178.38 1bs5 h ALA 548 N 3.42 1.69 0.00 0.00 0.00 -1.34 -0.85 119.26 122.18 1bs5 h ALA 548 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bs5 h ALA 548 Cb 1.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bs5 h ALA 548 CO 0.71 0.16 -0.01 1.79 0.00 0.00 0.00 179.25 181.90 1bs5 h THR 549 N 0.80 0.26 0.00 0.00 1.35 -1.63 0.11 112.91 113.80 1bs5 h THR 549 Ca 0.36 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 66.08 1bs5 h THR 549 Cb 0.34 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1bs5 h THR 549 CO -0.13 0.01 -0.23 1.56 -0.25 0.00 0.00 175.52 176.48 1bs5 h GLN 550 N 0.00 0.00 -0.68 4.72 4.20 -1.43 -2.24 115.11 119.68 1bs5 h GLN 550 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1bs5 h GLN 550 Cb 0.07 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.71 1bs5 h GLN 550 CO 0.00 0.23 0.26 1.33 -0.67 0.00 0.00 178.83 179.98 1bs5 n VAL 551 N -3.25 2.86 -2.65 -0.54 0.24 0.34 -1.17 118.33 114.17 1bs5 n VAL 551 Ca 0.02 -1.87 -0.21 0.00 -2.04 0.00 0.00 64.34 60.24 1bs5 n VAL 551 Cb 0.52 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1bs5 n VAL 551 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs5 n ASP 552 N -0.49 -5.94 -4.07 -1.34 2.03 -0.84 -4.89 116.55 101.01 1bs5 n ASP 552 Ca 0.41 -0.13 -0.32 0.00 0.52 0.00 0.00 54.79 55.27 1bs5 n ASP 552 Cb 1.34 -4.87 -0.15 0.00 -0.72 0.00 0.00 41.12 36.72 1bs5 n ASP 552 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs5 s ILE 553 N -3.09 2.29 -0.88 5.18 1.01 -0.89 -5.00 121.20 119.82 1bs5 s ILE 553 Ca 0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 60.65 58.93 1bs5 s ILE 553 Cb -0.06 -2.44 0.21 0.00 0.01 0.00 0.00 42.46 40.18 1bs5 s ILE 553 CO 0.16 -0.20 2.27 1.41 0.00 0.00 0.00 174.94 178.57 1bs5 n HIS 554 N 4.40 2.46 -4.57 3.97 8.25 -1.26 -1.95 115.22 126.52 1bs5 n HIS 554 Ca -0.09 -2.38 -0.26 0.00 -0.26 0.00 0.00 57.72 54.73 1bs5 n HIS 554 Cb 0.42 -1.39 -0.11 0.00 1.12 0.00 0.00 29.99 30.04 1bs5 n HIS 554 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs5 s GLN 555 N -2.84 1.86 -1.34 -0.41 -0.21 -1.26 -0.55 119.66 114.91 1bs5 s GLN 555 Ca 0.51 -2.02 -0.15 0.00 0.02 0.00 0.00 55.36 53.73 1bs5 s GLN 555 Cb 0.31 -1.56 0.09 0.00 1.00 0.00 0.00 33.01 32.85 1bs5 s GLN 555 CO -0.23 0.00 1.87 0.54 -2.12 0.00 0.00 175.29 175.36 1bs5 n ARG 556 N -0.86 3.16 -4.44 2.91 1.74 0.18 -4.53 116.66 114.83 1bs5 n ARG 556 Ca -0.05 -3.17 -0.22 0.00 -0.77 0.00 0.00 57.85 53.64 1bs5 n ARG 556 Cb 0.66 -3.30 -0.16 0.00 -1.02 0.00 0.00 32.46 28.64 1bs5 n ARG 556 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs5 s ILE 557 N 3.05 0.88 -0.03 0.55 1.01 -1.26 -0.74 121.20 124.66 1bs5 s ILE 557 Ca 0.48 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1bs5 s ILE 557 Cb 0.07 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.75 1bs5 s ILE 557 CO 0.01 0.28 -0.06 -0.63 0.00 0.00 0.00 174.94 174.54 1bs5 s ILE 558 N 0.43 0.60 0.02 2.92 1.01 -0.39 -1.13 121.20 124.66 1bs5 s ILE 558 Ca -0.08 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1bs5 s ILE 558 Cb -0.12 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 1bs5 s ILE 558 CO 0.01 0.21 -0.16 0.68 0.00 0.00 0.00 174.94 175.68 1bs5 s VAL 559 N 0.43 2.90 0.01 2.92 -7.23 -0.41 -1.81 120.40 117.21 1bs5 s VAL 559 Ca -0.06 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1bs5 s VAL 559 Cb -0.10 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1bs5 s VAL 559 CO 0.00 0.41 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.52 1bs5 s ILE 560 N -0.88 0.31 -0.28 -0.62 1.01 -0.36 -0.84 121.20 119.55 1bs5 s ILE 560 Ca 0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1bs5 s ILE 560 Cb -0.11 -0.34 0.11 0.00 0.01 0.00 0.00 42.46 42.14 1bs5 s ILE 560 CO 0.04 -0.16 0.20 -0.62 0.00 0.00 0.00 174.94 174.41 1bs5 s ASP 561 N -0.75 2.53 0.00 3.58 -1.08 0.15 -1.24 116.67 119.85 1bs5 s ASP 561 Ca -0.05 -0.95 0.23 0.00 -0.52 0.00 0.00 52.55 51.26 1bs5 s ASP 561 Cb -0.05 0.07 0.59 0.00 -1.46 0.00 0.00 42.92 42.07 1bs5 s ASP 561 CO -0.00 -0.41 1.48 1.33 0.52 0.00 0.00 175.17 178.09 1bs5 n VAL 562 N 5.28 0.27 -1.50 1.11 0.24 -1.26 -4.48 118.33 117.99 1bs5 n VAL 562 Ca -0.04 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.45 1bs5 n VAL 562 Cb 0.45 0.74 0.07 0.00 -1.47 0.00 0.00 33.84 33.62 1bs5 n VAL 562 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs5 s SER 563 N -1.63 5.05 0.08 -1.34 1.04 -1.26 -4.99 113.70 110.65 1bs5 s SER 563 Ca 0.35 1.61 0.04 0.00 0.48 0.00 0.00 55.95 58.42 1bs5 s SER 563 Cb 0.20 -2.43 -0.24 0.00 0.10 0.00 0.00 66.02 63.65 1bs5 s SER 563 CO 0.29 -1.66 1.15 -0.33 0.98 0.00 0.00 173.24 173.68 1bs5 h GLU 564 N -0.87 0.09 -0.67 4.02 3.07 -2.01 -3.18 114.58 115.05 1bs5 h GLU 564 Ca -0.44 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.26 1bs5 h GLU 564 Cb 1.22 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1bs5 h GLU 564 CO 0.56 1.02 0.00 0.09 -1.40 0.00 0.00 179.01 179.28 1bs5 n ASN 565 N -3.38 4.63 -3.99 1.42 3.02 -1.26 -4.97 115.26 110.74 1bs5 n ASN 565 Ca -0.05 -2.68 -0.28 0.00 -0.03 0.00 0.00 54.58 51.53 1bs5 n ASN 565 Cb 0.98 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1bs5 n ASN 565 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs5 n ARG 566 N 0.54 -2.49 -0.87 3.52 5.12 -1.20 -4.85 116.66 116.43 1bs5 n ARG 566 Ca 0.22 0.34 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1bs5 n ARG 566 Cb 0.96 -4.20 -0.01 0.00 -1.16 0.00 0.00 32.46 28.06 1bs5 n ARG 566 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs5 n ASP 567 N -2.89 0.14 -3.99 0.55 5.75 -1.26 -5.01 116.55 109.83 1bs5 n ASP 567 Ca -0.28 -1.81 -0.31 0.00 -0.01 0.00 0.00 54.79 52.38 1bs5 n ASP 567 Cb 0.67 -0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 40.49 1bs5 n ASP 567 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1bs5 s GLU 568 N 0.00 1.89 -0.21 0.11 2.02 -1.26 -5.09 118.70 116.16 1bs5 s GLU 568 Ca 0.10 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 1bs5 s GLU 568 Cb 0.11 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1bs5 s GLU 568 CO -0.05 -0.57 0.33 1.03 0.02 0.00 0.00 175.26 176.02 1bs5 s ARG 569 N 1.29 4.15 -0.12 1.61 0.52 -1.26 -4.24 118.95 120.90 1bs5 s ARG 569 Ca -0.06 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 1bs5 s ARG 569 Cb -0.19 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 31.76 1bs5 s ARG 569 CO -0.06 0.01 -0.20 -1.17 0.02 0.00 0.00 175.30 173.90 1bs5 s LEU 570 N 1.18 1.96 -0.16 2.53 2.96 -0.38 -5.01 118.68 121.76 1bs5 s LEU 570 Ca 0.16 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1bs5 s LEU 570 Cb -0.14 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1bs5 s LEU 570 CO 0.07 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.37 1bs5 s VAL 571 N 0.77 3.02 -0.28 1.68 1.01 -1.26 -1.22 120.40 124.11 1bs5 s VAL 571 Ca -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1bs5 s VAL 571 Cb -0.16 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1bs5 s VAL 571 CO 0.01 0.49 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 1bs5 s LEU 572 N 0.83 3.63 -0.12 3.92 1.43 -0.75 -4.43 118.68 123.19 1bs5 s LEU 572 Ca -0.04 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1bs5 s LEU 572 Cb -0.15 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1bs5 s LEU 572 CO 0.01 -0.21 -0.06 -0.63 0.23 0.00 0.00 176.35 175.69 1bs5 s ILE 573 N 1.28 3.74 -1.26 -0.59 1.01 0.23 -1.26 121.20 124.35 1bs5 s ILE 573 Ca -0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1bs5 s ILE 573 Cb -0.19 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1bs5 s ILE 573 CO -0.02 0.54 0.65 0.59 0.00 0.00 0.00 174.94 176.70 1bs5 n ASN 574 N 3.04 -2.89 -4.75 3.58 3.02 0.08 -0.60 115.26 116.74 1bs5 n ASN 574 Ca -0.18 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.04 1bs5 n ASN 574 Cb 0.53 -3.43 0.04 0.00 -0.61 0.00 0.00 39.78 36.30 1bs5 n ASN 574 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs5 s PRO 575 N -6.14 2.95 -0.19 3.52 0.04 -1.26 -4.55 135.00 129.38 1bs5 s PRO 575 Ca 0.23 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1bs5 s PRO 575 Cb -0.08 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.59 1bs5 s PRO 575 CO 0.86 -1.24 0.27 -2.00 0.04 0.00 0.00 177.00 174.93 1bs5 s GLU 576 N -3.28 0.21 -0.36 4.56 2.12 0.01 -5.00 118.70 116.97 1bs5 s GLU 576 Ca 0.77 0.49 -0.27 0.00 0.36 0.00 0.00 54.97 56.32 1bs5 s GLU 576 Cb -0.32 -0.60 0.02 0.00 0.26 0.00 0.00 34.13 33.48 1bs5 s GLU 576 CO 0.35 -0.51 0.97 -1.17 -0.54 0.00 0.00 175.26 174.36 1bs5 s LEU 577 N 2.41 3.97 -0.18 2.70 2.96 -1.26 -0.39 118.68 128.88 1bs5 s LEU 577 Ca 0.06 0.71 -0.24 0.00 -0.22 0.00 0.00 54.13 54.44 1bs5 s LEU 577 Cb -0.14 -3.34 -0.22 0.00 0.50 0.00 0.00 46.19 42.99 1bs5 s LEU 577 CO -0.12 -0.86 0.42 -0.07 -1.32 0.00 0.00 176.35 174.40 1bs5 h LEU 578 N 10.09 0.00 -7.88 -0.68 3.38 -1.18 -3.49 115.31 115.55 1bs5 h LEU 578 Ca -0.22 -0.69 -0.13 0.00 0.09 0.00 0.00 57.88 56.92 1bs5 h LEU 578 Cb 1.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1bs5 h LEU 578 CO 1.00 1.31 -0.54 -1.61 0.09 0.00 0.00 178.44 178.69 1bs5 s GLU 579 N -2.31 0.54 0.08 1.13 2.02 -1.08 -4.98 118.70 114.09 1bs5 s GLU 579 Ca -0.25 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1bs5 s GLU 579 Cb 0.03 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 1bs5 s GLU 579 CO 0.63 -0.13 -0.03 -1.59 0.02 0.00 0.00 175.26 174.15 1bs5 s LYS 580 N -2.25 0.74 0.03 1.61 -2.85 -1.26 0.08 119.74 115.83 1bs5 s LYS 580 Ca -0.08 -1.29 -0.27 0.00 -1.00 0.00 0.00 55.97 53.33 1bs5 s LYS 580 Cb -0.03 0.05 0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1bs5 s LYS 580 CO -0.03 -0.09 0.75 -1.54 0.10 0.00 0.00 175.35 174.54 1bs5 s SER 581 N -2.98 -0.50 0.00 0.03 1.04 -0.04 -4.98 113.70 106.26 1bs5 s SER 581 Ca 0.11 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1bs5 s SER 581 Cb 0.07 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1bs5 s SER 581 CO -0.07 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1bs5 n GLY 582 N 0.03 -2.54 3.38 7.32 0.00 -1.26 -0.73 105.19 111.39 1bs5 n GLY 582 Ca -0.14 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1bs5 n GLY 582 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs5 s GLU 583 N -0.85 0.54 0.07 1.61 1.03 -1.26 -3.31 118.70 116.53 1bs5 s GLU 583 Ca 0.00 0.74 0.01 0.00 0.03 0.00 0.00 54.97 55.76 1bs5 s GLU 583 Cb 0.00 0.20 -0.00 0.00 -0.80 0.00 0.00 34.13 33.53 1bs5 s GLU 583 CO 0.00 -0.09 0.07 0.25 -1.33 0.00 0.00 175.26 174.16 1bs5 n THR 584 N 3.24 0.00 -3.63 1.83 -2.24 0.50 -4.63 114.28 109.35 1bs5 n THR 584 Ca -0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1bs5 n THR 584 Cb 0.56 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 1bs5 n THR 584 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bs5 s GLY 585 N -1.46 0.33 0.39 3.38 0.00 -1.26 -0.84 107.32 107.86 1bs5 s GLY 585 Ca 0.07 3.51 0.08 0.00 0.00 0.00 0.00 44.72 48.38 1bs5 s GLY 585 CO 0.05 2.71 0.03 -1.50 0.00 0.00 0.00 173.10 174.39 1bs5 s ILE 586 N 1.22 2.15 -0.53 0.90 1.10 -1.26 -4.94 121.20 119.84 1bs5 s ILE 586 Ca -0.08 -1.97 -0.28 0.00 -0.51 0.00 0.00 60.65 57.80 1bs5 s ILE 586 Cb -0.03 -2.93 0.03 0.00 0.15 0.00 0.00 42.46 39.68 1bs5 s ILE 586 CO -0.12 -0.05 1.14 -1.61 -2.11 0.00 0.00 174.94 172.19 1bs5 s GLU 587 N -3.73 3.59 0.28 3.50 2.02 -1.26 -3.49 118.70 119.61 1bs5 s GLU 587 Ca 0.36 0.34 -0.06 0.00 0.02 0.00 0.00 54.97 55.63 1bs5 s GLU 587 Cb 0.07 -3.97 -0.06 0.00 0.10 0.00 0.00 34.13 30.27 1bs5 s GLU 587 CO 0.19 -1.53 0.56 -1.21 0.02 0.00 0.00 175.26 173.29 1bs5 s GLU 588 N 4.64 3.67 0.17 1.61 2.02 0.40 -4.75 118.70 126.46 1bs5 s GLU 588 Ca 0.44 0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.54 1bs5 s GLU 588 Cb -0.08 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 1bs5 s GLU 588 CO 0.28 0.22 0.05 0.41 0.02 0.00 0.00 175.26 176.24 1bs5 n GLY 589 N -0.79 3.77 3.64 -1.39 0.00 -1.26 -2.03 105.19 107.14 1bs5 n GLY 589 Ca -0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 1bs5 n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs5 h LEU 591 N 5.86 0.00 -0.19 0.00 3.38 -1.95 -2.07 115.31 120.33 1bs5 h LEU 591 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bs5 h LEU 591 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1bs5 h LEU 591 CO 0.18 0.00 -0.59 -1.20 0.09 0.00 0.00 178.44 176.93 1bs5 n SER 592 N -2.85 0.88 -3.49 -0.43 7.64 -1.26 -4.32 113.62 109.78 1bs5 n SER 592 Ca -0.02 -0.69 -0.27 0.00 1.01 0.00 0.00 58.87 58.91 1bs5 n SER 592 Cb 0.11 0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 1bs5 n SER 592 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs5 n ILE 593 N -1.20 1.31 -1.68 0.44 5.41 -0.78 -1.61 119.36 121.25 1bs5 n ILE 593 Ca 0.07 -4.75 -0.46 0.00 1.00 0.00 0.00 62.75 58.60 1bs5 n ILE 593 Cb 0.35 -2.05 -0.04 0.00 -0.71 0.00 0.00 39.64 37.18 1bs5 n ILE 593 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bs5 n PRO 594 N 1.40 2.36 -0.92 0.38 -0.04 -1.25 -2.83 135.00 134.11 1bs5 n PRO 594 Ca 0.26 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1bs5 n PRO 594 Cb 0.42 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1bs5 n PRO 594 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bs5 n GLU 595 N 6.10 -0.15 -3.71 0.54 1.02 -1.26 -4.77 120.64 118.41 1bs5 n GLU 595 Ca 0.21 0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 57.04 1bs5 n GLU 595 Cb 0.32 -3.13 -0.05 0.00 -0.02 0.00 0.00 31.44 28.56 1bs5 n GLU 595 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs5 s GLN 596 N -0.31 3.62 0.00 3.49 -1.52 -1.13 -5.11 119.66 118.71 1bs5 s GLN 596 Ca 0.00 -0.03 0.02 0.00 -1.95 0.00 0.00 55.36 53.40 1bs5 s GLN 596 Cb 0.00 -3.04 -0.01 0.00 -0.22 0.00 0.00 33.01 29.74 1bs5 s GLN 596 CO 0.00 0.61 -0.07 1.03 -0.25 0.00 0.00 175.29 176.62 1bs5 s ARG 597 N -1.89 0.51 0.02 2.91 1.81 -1.26 -4.43 118.95 116.62 1bs5 s ARG 597 Ca 0.30 -0.32 -0.18 0.00 -1.72 0.00 0.00 55.73 53.82 1bs5 s ARG 597 Cb -0.13 -0.46 0.03 0.00 -0.45 0.00 0.00 34.95 33.94 1bs5 s ARG 597 CO 0.18 0.12 0.40 0.00 -0.68 0.00 0.00 175.30 175.32 1bs5 s ALA 598 N -0.35 -0.99 0.02 2.13 0.00 -0.86 -4.87 121.76 116.83 1bs5 s ALA 598 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1bs5 s ALA 598 Cb -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1bs5 s ALA 598 CO -0.00 -0.40 0.99 -1.17 0.00 0.00 0.00 175.76 175.17 1bs5 s LEU 599 N -1.79 4.39 -0.05 0.00 0.20 -1.26 -0.45 118.68 119.72 1bs5 s LEU 599 Ca -0.08 1.69 0.05 0.00 0.69 0.00 0.00 54.13 56.48 1bs5 s LEU 599 Cb -0.02 -3.57 -0.00 0.00 -0.43 0.00 0.00 46.19 42.17 1bs5 s LEU 599 CO 0.00 -0.24 -0.19 -0.69 -0.29 0.00 0.00 176.35 174.94 1bs5 s VAL 600 N 0.87 1.60 0.04 1.68 1.01 -1.23 -4.99 120.40 119.38 1bs5 s VAL 600 Ca 0.52 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1bs5 s VAL 600 Cb -0.22 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1bs5 s VAL 600 CO 0.28 0.46 1.64 -2.84 0.00 0.00 0.00 175.10 174.63 1bs5 s PRO 601 N 0.05 4.20 0.12 2.72 0.02 -1.26 -4.22 135.00 136.63 1bs5 s PRO 601 Ca -0.06 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.27 1bs5 s PRO 601 Cb -0.13 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.67 1bs5 s PRO 601 CO 0.03 -0.74 -0.08 1.03 -0.33 0.00 0.00 177.00 176.91 1bs5 s ARG 602 N 2.92 0.93 0.51 5.54 1.81 -0.02 -4.99 118.95 125.65 1bs5 s ARG 602 Ca 0.73 -1.37 -0.20 0.00 -1.72 0.00 0.00 55.73 53.16 1bs5 s ARG 602 Cb -0.38 -0.40 -0.07 0.00 -0.45 0.00 0.00 34.95 33.66 1bs5 s ARG 602 CO 0.31 0.03 1.11 0.00 -0.68 0.00 0.00 175.30 176.07 1bs5 s ALA 603 N -3.44 2.80 -0.05 2.13 0.00 -1.26 -0.37 121.76 121.57 1bs5 s ALA 603 Ca 0.14 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1bs5 s ALA 603 Cb 0.04 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.57 1bs5 s ALA 603 CO -0.02 -0.62 0.64 1.49 0.00 0.00 0.00 175.76 177.24 1bs5 h GLU 604 N 1.48 0.14 -5.71 0.00 4.81 -1.39 -3.41 114.58 110.51 1bs5 h GLU 604 Ca -0.50 -0.24 -0.54 0.00 -0.13 0.00 0.00 59.36 57.96 1bs5 h GLU 604 Cb 1.25 0.09 -0.28 0.00 0.63 0.00 0.00 28.75 30.44 1bs5 h GLU 604 CO 0.58 0.88 -0.83 0.15 -0.73 0.00 0.00 179.01 179.06 1bs5 s LYS 605 N -2.59 1.32 -0.11 1.92 1.02 0.09 -3.72 119.74 117.67 1bs5 s LYS 605 Ca -0.11 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 1bs5 s LYS 605 Cb 0.07 -1.32 0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1bs5 s LYS 605 CO 0.81 0.35 0.27 0.54 -0.92 0.00 0.00 175.35 176.41 1bs5 s VAL 606 N -0.59 -0.01 -0.15 3.17 0.11 -0.12 -0.87 120.40 121.94 1bs5 s VAL 606 Ca 0.06 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1bs5 s VAL 606 Cb -0.07 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1bs5 s VAL 606 CO 0.00 0.02 -0.22 -0.75 -3.33 0.00 0.00 175.10 170.83 1bs5 s LYS 607 N 0.51 3.01 0.16 1.54 2.20 0.11 -0.61 119.74 126.67 1bs5 s LYS 607 Ca -0.03 -0.85 0.09 0.00 -0.36 0.00 0.00 55.97 54.82 1bs5 s LYS 607 Cb -0.05 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1bs5 s LYS 607 CO -0.03 -0.06 -0.20 0.96 -0.36 0.00 0.00 175.35 175.67 1bs5 s ILE 608 N 0.92 1.92 0.04 5.43 -4.36 0.52 -0.58 121.20 125.09 1bs5 s ILE 608 Ca -0.04 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1bs5 s ILE 608 Cb -0.15 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1bs5 s ILE 608 CO -0.04 -0.23 -0.00 -0.60 0.24 0.00 0.00 174.94 174.31 1bs5 s ARG 609 N -2.62 2.66 0.10 0.37 3.52 0.47 -1.03 118.95 122.43 1bs5 s ARG 609 Ca 0.15 -0.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.77 1bs5 s ARG 609 Cb -0.07 -2.60 0.08 0.00 -1.56 0.00 0.00 34.95 30.81 1bs5 s ARG 609 CO 0.07 0.58 1.09 0.00 -0.81 0.00 0.00 175.30 176.23 1bs5 s ALA 610 N -1.19 -1.86 0.05 6.12 0.00 -0.64 -0.81 121.76 123.44 1bs5 s ALA 610 Ca 0.22 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1bs5 s ALA 610 Cb -0.12 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1bs5 s ALA 610 CO 0.14 -1.06 0.11 -0.51 0.00 0.00 0.00 175.76 174.44 1bs5 s LEU 611 N -3.10 3.98 0.00 0.00 1.43 0.23 0.05 118.68 121.26 1bs5 s LEU 611 Ca 0.16 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1bs5 s LEU 611 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1bs5 s LEU 611 CO 0.01 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 175.89 1bs5 n ASP 612 N 0.61 0.00 0.31 2.29 5.68 -0.28 -0.60 116.55 124.56 1bs5 n ASP 612 Ca -0.09 -0.84 0.18 0.00 -0.50 0.00 0.00 54.79 53.54 1bs5 n ASP 612 Cb 0.52 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.53 1bs5 n ASP 612 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs5 h ARG 613 N 0.00 0.00 -0.60 0.11 2.43 -1.89 -0.30 114.38 114.13 1bs5 h ARG 613 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bs5 h ARG 613 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bs5 h ARG 613 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1bs5 n ASP 614 N -3.53 4.94 -0.40 -3.80 8.00 -1.26 -4.86 116.55 115.63 1bs5 n ASP 614 Ca -0.03 -2.59 -0.05 0.00 0.71 0.00 0.00 54.79 52.83 1bs5 n ASP 614 Cb 0.08 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.56 1bs5 n ASP 614 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs5 n GLY 615 N 0.90 0.60 3.72 0.44 0.00 -0.12 -4.96 105.19 105.77 1bs5 n GLY 615 Ca 0.26 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1bs5 n GLY 615 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs5 s LYS 616 N -2.14 4.44 0.34 1.61 -0.14 -1.26 -4.76 119.74 117.83 1bs5 s LYS 616 Ca 0.00 0.88 -0.28 0.00 -1.36 0.00 0.00 55.97 55.21 1bs5 s LYS 616 Cb 0.00 -3.44 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 1bs5 s LYS 616 CO 0.00 0.09 1.24 -1.25 -0.76 0.00 0.00 175.35 174.67 1bs5 s PRO 617 N 0.71 4.32 0.06 -1.68 0.04 -1.26 -1.13 135.00 136.06 1bs5 s PRO 617 Ca 0.37 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.46 1bs5 s PRO 617 Cb -0.18 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1bs5 s PRO 617 CO 0.18 -0.16 -0.04 -0.59 0.04 0.00 0.00 177.00 176.43 1bs5 s PHE 618 N -1.21 0.62 0.03 0.56 -0.71 0.11 -4.92 117.98 112.46 1bs5 s PHE 618 Ca 0.50 -0.99 0.06 0.00 -1.04 0.00 0.00 56.93 55.46 1bs5 s PHE 618 Cb -0.36 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.00 1bs5 s PHE 618 CO 0.47 -0.30 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.68 1bs5 s GLU 619 N -3.76 2.17 -0.04 1.99 2.02 -1.26 -1.62 118.70 118.20 1bs5 s GLU 619 Ca 0.07 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 1bs5 s GLU 619 Cb 0.06 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 32.07 1bs5 s GLU 619 CO -0.08 0.55 0.02 -1.17 0.02 0.00 0.00 175.26 174.60 1bs5 s LEU 620 N -1.41 0.71 -0.14 1.80 2.96 -0.20 -5.00 118.68 117.40 1bs5 s LEU 620 Ca 0.15 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1bs5 s LEU 620 Cb -0.11 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1bs5 s LEU 620 CO 0.06 -0.17 0.19 -1.61 -1.32 0.00 0.00 176.35 173.50 1bs5 s GLU 621 N 1.62 3.90 -0.02 1.98 2.02 -1.26 -0.35 118.70 126.58 1bs5 s GLU 621 Ca -0.01 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1bs5 s GLU 621 Cb -0.13 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.79 1bs5 s GLU 621 CO -0.03 0.50 0.06 0.00 0.02 0.00 0.00 175.26 175.81 1bs5 s ALA 622 N -0.27 -0.15 0.00 5.21 0.00 0.22 -5.00 121.76 121.76 1bs5 s ALA 622 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1bs5 s ALA 622 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1bs5 s ALA 622 CO 0.03 -0.03 0.00 -0.40 0.00 0.00 0.00 175.76 175.36 1bs5 n ASP 623 N 3.07 1.48 0.00 0.00 5.68 -1.26 -0.95 116.55 124.57 1bs5 n ASP 623 Ca -0.12 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 1bs5 n ASP 623 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1bs5 n ASP 623 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs5 n GLY 624 N 3.70 0.39 0.34 6.12 0.00 -1.24 -2.72 105.19 111.77 1bs5 n GLY 624 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 1bs5 n GLY 624 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs5 h LEU 625 N 0.00 0.99 -0.20 0.99 6.46 -1.98 -2.90 115.31 118.67 1bs5 h LEU 625 Ca 0.00 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1bs5 h LEU 625 Cb 0.00 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 39.63 1bs5 h LEU 625 CO 0.00 0.70 -0.23 0.25 -0.62 0.00 0.00 178.44 178.54 1bs5 h LEU 626 N 1.17 -0.72 -1.21 2.25 6.46 -1.94 -0.62 115.31 120.70 1bs5 h LEU 626 Ca 0.34 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 58.20 1bs5 h LEU 626 Cb -0.07 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1bs5 h LEU 626 CO -0.10 -0.27 0.17 0.00 -0.62 0.00 0.00 178.44 177.63 1bs5 h ALA 627 N 0.77 1.37 -0.45 1.25 0.00 -1.35 -0.38 119.26 120.47 1bs5 h ALA 627 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bs5 h ALA 627 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1bs5 h ALA 627 CO -0.35 0.46 -0.01 0.82 0.00 0.00 0.00 179.25 180.17 1bs5 h ILE 628 N 0.71 1.26 -0.21 0.00 2.04 -1.23 -2.80 117.51 117.29 1bs5 h ILE 628 Ca 0.17 -1.07 -0.20 0.00 1.00 0.00 0.00 64.86 64.76 1bs5 h ILE 628 Cb 0.18 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1bs5 h ILE 628 CO -0.01 0.37 -0.65 0.00 0.00 0.00 0.00 178.15 177.86 1bs5 h ILE 630 N 0.56 0.91 -0.10 0.00 2.04 -1.16 -1.04 117.51 118.73 1bs5 h ILE 630 Ca -0.02 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.30 1bs5 h ILE 630 Cb 1.26 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1bs5 h ILE 630 CO 0.13 0.17 -0.83 1.56 0.00 0.00 0.00 178.15 179.18 1bs5 h GLN 631 N 0.93 0.66 -0.45 2.37 4.20 -1.14 0.10 115.11 121.78 1bs5 h GLN 631 Ca 0.47 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1bs5 h GLN 631 Cb 0.45 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1bs5 h GLN 631 CO -0.26 1.19 0.26 1.25 -0.67 0.00 0.00 178.83 180.60 1bs5 h HIS 632 N 0.43 0.61 -0.13 2.96 2.76 -0.97 -2.75 115.15 118.06 1bs5 h HIS 632 Ca -0.06 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.98 1bs5 h HIS 632 Cb 1.46 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1bs5 h HIS 632 CO 0.08 0.45 -0.39 0.93 -1.30 0.00 0.00 177.93 177.70 1bs5 h GLU 633 N 0.60 0.50 0.00 5.26 4.39 -1.09 -2.82 114.58 121.42 1bs5 h GLU 633 Ca 0.16 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1bs5 h GLU 633 Cb 0.03 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1bs5 h GLU 633 CO -0.03 0.98 -0.05 0.52 -1.16 0.00 0.00 179.01 179.27 1bs5 h MET 634 N 0.11 0.00 -0.39 2.33 2.86 -1.05 -0.37 114.93 118.41 1bs5 h MET 634 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1bs5 h MET 634 Cb 1.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1bs5 h MET 634 CO 0.08 0.05 -0.19 -0.44 1.06 0.00 0.00 176.91 177.48 1bs5 h ASP 635 N 0.00 0.76 -0.93 1.22 5.19 -1.23 -2.87 116.42 118.56 1bs5 h ASP 635 Ca -0.00 -0.26 0.04 0.00 -0.62 0.00 0.00 57.03 56.20 1bs5 h ASP 635 Cb 0.21 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.46 1bs5 h ASP 635 CO 0.01 0.94 0.61 0.45 -3.12 0.00 0.00 179.24 178.13 1bs5 h HIS 636 N 0.67 1.12 0.00 4.55 3.86 -0.97 -0.32 115.15 124.06 1bs5 h HIS 636 Ca 0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1bs5 h HIS 636 Cb 0.68 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1bs5 h HIS 636 CO 0.03 0.63 0.00 1.28 0.86 0.00 0.00 177.93 180.74 1bs5 n LEU 637 N -4.45 0.15 -0.11 2.43 4.77 -1.08 -0.87 117.00 117.84 1bs5 n LEU 637 Ca 0.13 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.73 1bs5 n LEU 637 Cb 0.12 -0.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1bs5 n LEU 637 CO 0.34 -0.43 0.51 1.33 -1.33 0.00 0.00 177.39 177.82 1bs5 n VAL 638 N -1.68 1.46 -0.73 4.08 0.24 -0.91 -1.05 118.33 119.75 1bs5 n VAL 638 Ca 0.02 -1.72 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 1bs5 n VAL 638 Cb 0.12 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1bs5 n VAL 638 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs5 n GLY 639 N -1.07 0.58 3.65 7.63 0.00 -0.05 -4.71 105.19 111.22 1bs5 n GLY 639 Ca 0.11 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1bs5 n GLY 639 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bs5 s LYS 640 N -1.10 3.81 0.23 1.61 2.36 -0.18 -4.54 119.74 121.94 1bs5 s LYS 640 Ca 0.00 -0.35 0.09 0.00 -2.55 0.00 0.00 55.97 53.16 1bs5 s LYS 640 Cb 0.00 -3.14 -0.04 0.00 -1.05 0.00 0.00 37.83 33.60 1bs5 s LYS 640 CO 0.00 0.36 -0.05 -0.51 1.55 0.00 0.00 175.35 176.69 1bs5 s LEU 641 N 0.13 3.07 0.52 5.43 1.43 -1.26 -3.35 118.68 124.64 1bs5 s LEU 641 Ca 0.04 -0.64 0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1bs5 s LEU 641 Cb -0.12 -1.65 1.40 0.00 0.03 0.00 0.00 46.19 45.84 1bs5 s LEU 641 CO 0.01 0.04 2.02 2.19 0.23 0.00 0.00 176.35 180.85 1bs5 h PHE 642 N 2.32 0.00 0.00 0.29 -5.15 -1.98 -0.76 116.94 111.65 1bs5 h PHE 642 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1bs5 h PHE 642 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1bs5 h PHE 642 CO 0.68 0.11 0.00 0.00 -2.00 0.00 0.00 178.31 177.10 1bs5 n MET 643 N -3.42 0.07 0.24 6.09 0.00 -1.26 -2.01 117.12 116.83 1bs5 n MET 643 Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 57.70 57.93 1bs5 n MET 643 Cb 0.28 -1.50 0.52 0.00 0.00 0.00 0.00 33.22 32.53 1bs5 n MET 643 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1bs5 h ASP 644 N 0.00 0.00 0.65 3.17 3.32 -1.54 -2.67 116.42 119.35 1bs5 h ASP 644 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs5 h ASP 644 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1bs5 h ASP 644 CO 0.00 0.14 0.00 -1.22 -1.72 0.00 0.00 179.24 176.44 1bs5 n TYR 645 N -3.28 0.00 -3.54 4.55 4.01 -0.85 -4.93 117.16 113.13 1bs5 n TYR 645 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1bs5 n TYR 645 Cb 0.39 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1bs5 n TYR 645 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs5 s LEU 646 N -2.67 3.76 0.64 7.72 1.43 -1.01 -5.00 118.68 123.56 1bs5 s LEU 646 Ca 0.25 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1bs5 s LEU 646 Cb 0.20 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1bs5 s LEU 646 CO 0.47 -0.46 1.25 -0.94 0.23 0.00 0.00 176.35 176.90 1bs5 s SER 647 N -4.13 4.77 0.32 2.29 1.04 -1.26 -4.77 113.70 111.96 1bs5 s SER 647 Ca 0.45 2.51 0.11 0.00 0.48 0.00 0.00 55.95 59.50 1bs5 s SER 647 Cb -0.08 -2.61 0.96 0.00 0.10 0.00 0.00 66.02 64.39 1bs5 s SER 647 CO 0.30 -1.89 1.68 -0.65 0.98 0.00 0.00 173.24 173.66 1bs5 h PRO 648 N 0.58 0.38 -0.12 4.02 0.11 -1.97 0.30 132.00 135.29 1bs5 h PRO 648 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1bs5 h PRO 648 Cb 1.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1bs5 h PRO 648 CO 0.53 0.25 0.04 1.25 -0.21 0.00 0.00 178.00 179.86 1bs5 h LEU 649 N 0.39 0.18 -1.30 2.35 7.12 -2.01 -2.70 115.31 119.33 1bs5 h LEU 649 Ca 0.67 -0.20 -0.05 0.00 0.13 0.00 0.00 57.88 58.44 1bs5 h LEU 649 Cb 1.43 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.50 1bs5 h LEU 649 CO -0.57 0.33 -0.04 0.50 -0.13 0.00 0.00 178.44 178.53 1bs5 h LYS 650 N 0.02 0.42 -0.35 1.25 1.63 -1.46 -2.83 116.57 115.24 1bs5 h LYS 650 Ca 0.04 -0.09 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 1bs5 h LYS 650 Cb 0.21 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1bs5 h LYS 650 CO -0.00 0.48 -0.29 1.96 -3.45 0.00 0.00 179.45 178.14 1bs5 h GLN 651 N 0.40 0.76 -0.48 1.90 4.20 -0.90 -2.68 115.11 118.30 1bs5 h GLN 651 Ca 0.09 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 1bs5 h GLN 651 Cb 0.33 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1bs5 h GLN 651 CO 0.01 0.96 -0.07 0.37 -0.67 0.00 0.00 178.83 179.43 1bs5 h GLN 652 N 0.64 0.90 0.00 1.46 5.75 -1.23 -0.96 115.11 121.67 1bs5 h GLN 652 Ca 0.08 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.19 1bs5 h GLN 652 Cb 0.82 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1bs5 h GLN 652 CO 0.07 0.97 -0.30 0.00 -2.65 0.00 0.00 178.83 176.92 1bs5 h ARG 653 N 0.75 0.00 -0.02 1.69 3.08 -1.48 -1.10 114.38 117.29 1bs5 h ARG 653 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1bs5 h ARG 653 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1bs5 h ARG 653 CO 0.04 0.30 -0.04 0.82 -1.07 0.00 0.00 179.97 180.01 1bs5 h ILE 654 N 0.00 1.45 -0.57 2.04 2.04 -1.18 -2.57 117.51 118.72 1bs5 h ILE 654 Ca -0.00 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1bs5 h ILE 654 Cb 0.66 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 1bs5 h ILE 654 CO 0.04 0.37 0.36 -0.09 0.00 0.00 0.00 178.15 178.83 1bs5 h ARG 655 N -0.48 0.76 0.00 2.37 9.65 -0.64 -2.18 114.38 123.86 1bs5 h ARG 655 Ca 0.00 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 1bs5 h ARG 655 Cb 0.62 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1bs5 h ARG 655 CO 0.01 0.52 -0.29 1.96 2.80 0.00 0.00 179.97 184.97 1bs5 h GLN 656 N 0.78 0.19 -0.87 0.20 4.20 -1.28 -2.45 115.11 115.87 1bs5 h GLN 656 Ca 0.21 -0.21 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1bs5 h GLN 656 Cb -0.06 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 1bs5 h GLN 656 CO -0.04 0.95 0.56 0.87 -0.67 0.00 0.00 178.83 180.50 1bs5 h LYS 657 N -0.48 0.74 -0.13 1.46 1.57 -1.10 -1.10 116.57 117.53 1bs5 h LYS 657 Ca -0.04 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1bs5 h LYS 657 Cb 1.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1bs5 h LYS 657 CO 0.06 0.49 -0.25 0.28 -0.57 0.00 0.00 179.45 179.45 1bs5 h VAL 658 N 0.76 1.37 -0.79 0.50 2.07 -1.40 -2.42 116.25 116.34 1bs5 h VAL 658 Ca 0.42 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1bs5 h VAL 658 Cb 0.57 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1bs5 h VAL 658 CO -0.19 0.45 0.52 -0.33 0.02 0.00 0.00 177.57 178.05 1bs5 h GLU 659 N -0.01 0.99 0.38 1.57 5.08 -0.87 -1.60 114.58 120.12 1bs5 h GLU 659 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1bs5 h GLU 659 Cb 0.84 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1bs5 h GLU 659 CO 0.06 0.65 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.32 1bs5 h LYS 660 N 1.02 -0.49 -0.70 2.33 3.11 -1.19 -0.83 116.57 119.82 1bs5 h LYS 660 Ca 0.31 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.33 1bs5 h LYS 660 Cb -0.02 0.11 -0.12 0.00 -1.00 0.00 0.00 32.23 31.20 1bs5 h LYS 660 CO -0.08 -0.26 0.02 -0.07 -2.81 0.00 0.00 179.45 176.25 1bs5 h LEU 661 N -0.62 -0.28 -0.25 5.20 3.38 -0.80 -2.43 115.31 119.51 1bs5 h LEU 661 Ca -0.05 0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1bs5 h LEU 661 Cb 0.45 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1bs5 h LEU 661 CO 0.09 -0.14 -0.77 0.44 0.09 0.00 0.00 178.44 178.14 1bs5 h ASP 662 N 0.12 0.75 -0.61 -0.43 3.32 -1.17 -2.33 116.42 116.08 1bs5 h ASP 662 Ca 0.38 -0.50 0.10 0.00 0.02 0.00 0.00 57.03 57.03 1bs5 h ASP 662 Cb 0.65 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 1bs5 h ASP 662 CO -0.60 1.28 -0.22 -1.14 -1.72 0.00 0.00 179.24 176.84 1bs5 n ARG 663 N -3.89 -0.12 0.10 3.56 3.00 -0.33 -1.52 116.66 117.45 1bs5 n ARG 663 Ca -0.06 0.94 -0.04 0.00 -0.00 0.00 0.00 57.85 58.68 1bs5 n ARG 663 Cb 0.74 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.78 1bs5 n ARG 663 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1bs5 h LEU 664 N 0.00 -0.26 -1.91 6.15 6.46 -1.19 -3.30 115.31 121.26 1bs5 h LEU 664 Ca 0.23 0.01 0.26 0.00 -0.12 0.00 0.00 57.88 58.26 1bs5 h LEU 664 Cb 0.38 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1bs5 h LEU 664 CO -0.61 -0.17 0.66 0.11 -0.62 0.00 0.00 178.44 177.81 1bs5 h LYS 665 N -0.28 0.06 0.00 1.25 1.57 -1.11 0.18 116.57 118.24 1bs5 h LYS 665 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bs5 h LYS 665 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1bs5 h LYS 665 CO 0.03 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1bs5 n ALA 666 N -2.69 2.38 -1.44 3.86 0.00 -0.79 -4.93 120.51 116.90 1bs5 n ALA 666 Ca 0.20 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1bs5 n ALA 666 Cb 0.96 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.37 1bs5 n ALA 666 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bs5 n ARG 667 N -0.58 0.47 0.00 0.00 0.00 0.62 -5.13 116.66 112.04 1bs5 n ARG 667 Ca 0.03 0.19 0.15 0.00 -0.00 0.00 0.00 57.85 58.22 1bs5 n ARG 667 Cb 0.02 -1.68 0.74 0.00 0.00 0.00 0.00 32.46 31.54 1bs5 n ARG 667 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63