#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhi n GLY 470 N 0.00 1.46 3.67 -5.12 0.00 -0.73 -4.84 105.19 99.63 1vhi n GLY 470 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1vhi n GLY 470 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vhi s GLN 471 N -4.11 4.16 -0.32 1.61 0.74 -1.26 0.91 119.66 121.40 1vhi s GLN 471 Ca 0.46 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.36 1vhi s GLN 471 Cb -0.03 -3.86 0.00 0.00 1.10 0.00 0.00 33.01 30.21 1vhi s GLN 471 CO 0.30 -0.86 0.00 0.41 -0.55 0.00 0.00 175.29 174.59 1vhi n GLY 472 N 4.29 0.46 1.76 2.59 0.00 -1.26 -4.12 105.19 108.91 1vhi n GLY 472 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1vhi n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhi n GLY 473 N -1.91 0.46 3.32 -0.02 0.00 0.26 -5.04 105.19 102.26 1vhi n GLY 473 Ca -0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1vhi n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vhi s SER 474 N -2.88 -0.24 0.19 1.61 0.01 -1.10 -4.65 113.70 106.64 1vhi s SER 474 Ca 0.00 -0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.04 1vhi s SER 474 Cb 0.00 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1vhi s SER 474 CO 0.00 -0.85 -0.11 0.20 0.41 0.00 0.00 173.24 172.89 1vhi s ASN 475 N -2.80 4.17 0.32 2.44 0.01 -1.26 -1.77 114.94 116.04 1vhi s ASN 475 Ca 0.03 -0.62 -0.29 0.00 -0.71 0.00 0.00 52.86 51.27 1vhi s ASN 475 Cb 0.02 -0.67 -0.11 0.00 0.41 0.00 0.00 41.25 40.90 1vhi s ASN 475 CO -0.12 0.10 1.45 -2.16 -1.51 0.00 0.00 177.10 174.86 1vhi s PRO 476 N -2.87 4.22 0.55 -0.60 0.04 -1.26 -4.85 135.00 130.23 1vhi s PRO 476 Ca 0.25 2.41 0.37 0.00 0.04 0.00 0.00 61.00 64.06 1vhi s PRO 476 Cb -0.08 -3.04 1.53 0.00 0.04 0.00 0.00 34.50 32.95 1vhi s PRO 476 CO 0.15 -0.43 1.78 -0.22 0.04 0.00 0.00 177.00 178.32 1vhi h LYS 477 N 3.97 0.00 0.00 4.56 3.64 -1.99 0.42 116.57 127.18 1vhi h LYS 477 Ca -0.48 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1vhi h LYS 477 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1vhi h LYS 477 CO 0.71 0.00 -0.42 0.27 -2.27 0.00 0.00 179.45 177.74 1vhi h PHE 478 N 0.00 0.00 -0.44 1.91 -5.15 -1.90 -2.81 116.94 108.56 1vhi h PHE 478 Ca 0.56 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.19 1vhi h PHE 478 Cb 2.30 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.45 1vhi h PHE 478 CO 0.00 0.27 -0.24 1.49 -2.00 0.00 0.00 178.31 177.83 1vhi h GLU 479 N 0.00 0.94 0.00 6.09 4.57 -0.50 -0.80 114.58 124.88 1vhi h GLU 479 Ca -0.01 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 57.69 1vhi h GLU 479 Cb 1.22 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1vhi h GLU 479 CO 0.03 1.08 -0.28 -0.91 -1.18 0.00 0.00 179.01 177.75 1vhi h ASN 480 N 0.77 0.00 -0.15 1.04 2.35 -1.51 -1.96 115.58 116.13 1vhi h ASN 480 Ca 0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1vhi h ASN 480 Cb 0.82 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 1vhi h ASN 480 CO 0.07 0.28 -0.20 0.40 -1.65 0.00 0.00 177.43 176.33 1vhi h ILE 481 N 0.00 1.35 -0.12 2.81 2.04 -1.15 -1.98 117.51 120.47 1vhi h ILE 481 Ca -0.00 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1vhi h ILE 481 Cb 0.50 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1vhi h ILE 481 CO 0.04 0.42 -0.14 0.00 0.00 0.00 0.00 178.15 178.46 1vhi h ALA 482 N 0.59 -0.06 -0.82 1.87 0.00 -0.69 0.22 119.26 120.36 1vhi h ALA 482 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1vhi h ALA 482 Cb 0.76 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1vhi h ALA 482 CO 0.05 -0.60 0.47 0.93 0.00 0.00 0.00 179.25 180.10 1vhi h GLU 483 N -0.18 1.14 -0.42 0.00 4.39 -1.44 -1.47 114.58 116.59 1vhi h GLU 483 Ca 0.09 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1vhi h GLU 483 Cb 0.31 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1vhi h GLU 483 CO -0.22 0.82 0.17 0.78 -1.16 0.00 0.00 179.01 179.40 1vhi h GLY 484 N 1.14 0.68 0.95 -3.84 0.00 -0.40 -1.88 103.07 99.71 1vhi h GLY 484 Ca 0.29 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1vhi h GLY 484 CO -0.05 0.35 0.24 1.41 0.00 0.00 0.00 176.54 178.48 1vhi h LEU 485 N 0.54 0.39 -0.94 3.11 3.38 -0.83 -2.35 115.31 118.62 1vhi h LEU 485 Ca 0.14 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1vhi h LEU 485 Cb 0.19 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1vhi h LEU 485 CO -0.01 0.28 0.56 0.03 0.09 0.00 0.00 178.44 179.39 1vhi h ARG 486 N 0.48 0.80 -0.02 1.13 3.08 -0.91 0.31 114.38 119.25 1vhi h ARG 486 Ca 0.15 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1vhi h ARG 486 Cb -0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1vhi h ARG 486 CO -0.05 0.53 -0.00 0.00 -1.07 0.00 0.00 179.97 179.37 1vhi h ALA 487 N 1.55 0.03 -0.33 0.04 0.00 -1.05 -0.42 119.26 119.07 1vhi h ALA 487 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vhi h ALA 487 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1vhi h ALA 487 CO -0.31 -0.28 0.22 -0.07 0.00 0.00 0.00 179.25 178.80 1vhi h LEU 488 N -0.32 0.37 -1.15 0.00 3.38 -0.83 -2.23 115.31 114.54 1vhi h LEU 488 Ca 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1vhi h LEU 488 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1vhi h LEU 488 CO 0.00 0.27 -0.33 -0.07 0.09 0.00 0.00 178.44 178.40 1vhi h LEU 489 N 0.44 0.17 -2.30 1.67 4.07 -0.98 -1.69 115.31 116.70 1vhi h LEU 489 Ca 0.12 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1vhi h LEU 489 Cb -0.05 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1vhi h LEU 489 CO -0.03 0.50 0.21 0.00 -1.08 0.00 0.00 178.44 178.04 1vhi h ALA 490 N 1.52 1.56 0.00 1.53 0.00 -0.43 -2.05 119.26 121.38 1vhi h ALA 490 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1vhi h ALA 490 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1vhi h ALA 490 CO 0.05 -0.28 -0.19 0.00 0.00 0.00 0.00 179.25 178.83 1vhi h ARG 491 N 0.00 0.00 -4.75 0.00 3.08 -1.24 -3.43 114.38 108.04 1vhi h ARG 491 Ca 0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.52 1vhi h ARG 491 Cb 0.49 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.19 1vhi h ARG 491 CO -0.00 0.19 -0.84 -1.12 -1.07 0.00 0.00 179.97 177.13 1vhi s SER 492 N -6.12 2.43 -0.81 7.04 0.01 -0.77 -5.05 113.70 110.43 1vhi s SER 492 Ca 0.01 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1vhi s SER 492 Cb 0.10 -1.09 0.33 0.00 0.21 0.00 0.00 66.02 65.57 1vhi s SER 492 CO 0.63 0.02 1.38 1.41 0.41 0.00 0.00 173.24 177.09 1vhi n HIS 493 N 4.18 3.41 -2.12 2.43 8.25 -1.26 -4.93 115.22 125.17 1vhi n HIS 493 Ca -0.19 -3.28 -0.27 0.00 -0.26 0.00 0.00 57.72 53.72 1vhi n HIS 493 Cb 0.51 -0.85 0.08 0.00 1.12 0.00 0.00 29.99 30.85 1vhi n HIS 493 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1vhi s VAL 494 N -4.37 2.20 0.36 1.59 -7.23 -1.26 -5.05 120.40 106.64 1vhi s VAL 494 Ca 0.44 -0.20 -0.23 0.00 -1.81 0.00 0.00 61.98 60.18 1vhi s VAL 494 Cb 0.23 -3.00 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1vhi s VAL 494 CO -0.13 0.00 0.92 -1.83 -0.31 0.00 0.00 175.10 173.75 1vhi s GLU 495 N -5.34 4.39 -0.10 4.82 1.03 -1.26 -4.96 118.70 117.28 1vhi s GLU 495 Ca 0.61 1.18 0.12 0.00 0.03 0.00 0.00 54.97 56.90 1vhi s GLU 495 Cb -0.11 -2.54 -0.17 0.00 -0.80 0.00 0.00 34.13 30.52 1vhi s GLU 495 CO 0.46 0.16 0.10 0.54 -1.33 0.00 0.00 175.26 175.19 1vhi n ARG 496 N 0.05 1.59 -4.15 -4.83 5.12 -1.26 -4.03 116.66 109.15 1vhi n ARG 496 Ca 0.04 -0.03 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 1vhi n ARG 496 Cb 0.52 -1.32 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 1vhi n ARG 496 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1vhi s THR 497 N -2.45 0.37 0.44 0.55 -4.23 -1.26 -4.16 115.64 104.91 1vhi s THR 497 Ca -0.06 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1vhi s THR 497 Cb 0.05 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 1vhi s THR 497 CO 0.53 -0.75 0.09 0.42 -0.54 0.00 0.00 174.62 174.37 1vhi s THR 498 N -3.84 1.87 0.13 3.99 -4.23 -1.26 -4.94 115.64 107.36 1vhi s THR 498 Ca 0.15 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1vhi s THR 498 Cb 0.07 -2.75 -0.14 0.00 1.34 0.00 0.00 72.50 71.02 1vhi s THR 498 CO -0.03 0.00 1.35 0.44 -0.54 0.00 0.00 174.62 175.84 1vhi h ASP 499 N 1.50 0.73 -0.51 3.99 3.32 -2.00 -3.16 116.42 120.29 1vhi h ASP 499 Ca -0.43 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.09 1vhi h ASP 499 Cb 1.26 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1vhi h ASP 499 CO 0.75 1.26 0.17 -0.33 -1.72 0.00 0.00 179.24 179.37 1vhi h GLU 500 N 0.41 0.78 -0.03 3.56 5.08 -1.99 -3.47 114.58 118.92 1vhi h GLU 500 Ca -0.05 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1vhi h GLU 500 Cb 1.39 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1vhi h GLU 500 CO 0.15 0.72 -0.01 0.41 -1.00 0.00 0.00 179.01 179.28 1vhi n GLY 501 N -0.71 0.48 3.80 -3.84 0.00 -1.20 -5.00 105.19 98.73 1vhi n GLY 501 Ca 0.02 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1vhi n GLY 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vhi s THR 502 N -1.99 4.32 -0.73 2.61 -4.23 -1.26 -5.00 115.64 109.37 1vhi s THR 502 Ca 0.00 1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 61.99 1vhi s THR 502 Cb 0.00 -3.83 0.19 0.00 1.34 0.00 0.00 72.50 70.20 1vhi s THR 502 CO 0.00 -0.04 0.66 0.26 -0.54 0.00 0.00 174.62 174.96 1vhi s TRP 503 N -1.83 3.59 -0.44 3.99 0.52 -1.26 -4.36 118.94 119.14 1vhi s TRP 503 Ca 0.54 -1.82 0.13 0.00 0.02 0.00 0.00 56.10 54.98 1vhi s TRP 503 Cb -0.15 -3.78 -0.16 0.00 -1.15 0.00 0.00 33.47 28.23 1vhi s TRP 503 CO 0.19 -0.99 0.48 1.33 0.02 0.00 0.00 176.95 177.98 1vhi n VAL 504 N 4.35 0.00 -4.26 4.03 0.24 -0.73 -1.03 118.33 120.93 1vhi n VAL 504 Ca 0.05 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 1vhi n VAL 504 Cb 0.44 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 1vhi n VAL 504 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vhi s ALA 505 N -2.45 1.52 0.14 2.33 0.00 -0.88 -1.04 121.76 121.37 1vhi s ALA 505 Ca 0.02 -1.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 1vhi s ALA 505 Cb 0.10 1.30 0.05 0.00 0.00 0.00 0.00 23.12 24.57 1vhi s ALA 505 CO 0.55 -0.56 0.72 0.41 0.00 0.00 0.00 175.76 176.88 1vhi n GLY 506 N -0.41 0.82 2.94 0.00 0.00 -0.33 -0.44 105.19 107.77 1vhi n GLY 506 Ca 0.02 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1vhi n GLY 506 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhi s VAL 507 N -2.21 0.42 -0.26 1.61 1.01 -1.09 -1.34 120.40 118.54 1vhi s VAL 507 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1vhi s VAL 507 Cb -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1vhi s VAL 507 CO 0.04 0.14 -0.06 0.12 0.00 0.00 0.00 175.10 175.33 1vhi s PHE 508 N 0.11 3.12 -0.14 5.22 5.36 0.70 -2.15 117.98 130.19 1vhi s PHE 508 Ca -0.01 -1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 54.22 1vhi s PHE 508 Cb -0.05 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 1vhi s PHE 508 CO -0.00 -0.77 -0.09 0.08 -1.46 0.00 0.00 175.22 172.98 1vhi s VAL 509 N 1.28 3.37 0.12 3.12 1.01 -0.51 -2.06 120.40 126.73 1vhi s VAL 509 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1vhi s VAL 509 Cb -0.18 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1vhi s VAL 509 CO -0.04 0.51 0.28 -0.72 0.00 0.00 0.00 175.10 175.12 1vhi s TYR 510 N 0.42 0.12 0.00 5.22 1.13 -0.49 -0.93 117.35 122.81 1vhi s TYR 510 Ca -0.08 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 1vhi s TYR 510 Cb -0.15 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.75 1vhi s TYR 510 CO 0.04 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.85 1vhi n GLY 511 N -0.15 -1.31 7.00 5.49 0.00 -0.35 -0.85 105.19 115.02 1vhi n GLY 511 Ca -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1vhi n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhi n GLY 512 N 0.00 1.39 3.63 -0.02 0.00 -1.24 -4.65 105.19 104.31 1vhi n GLY 512 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1vhi n GLY 512 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vhi s SER 513 N -4.00 -0.01 0.35 1.61 1.04 -1.26 -4.87 113.70 106.56 1vhi s SER 513 Ca 0.00 -0.00 0.10 0.00 0.48 0.00 0.00 55.95 56.53 1vhi s SER 513 Cb 0.00 0.01 0.66 0.00 0.10 0.00 0.00 66.02 66.79 1vhi s SER 513 CO 0.00 -0.02 1.81 0.50 0.98 0.00 0.00 173.24 176.51 1vhi h LYS 514 N 2.00 0.13 0.20 4.02 3.64 -1.92 -0.62 116.57 124.02 1vhi h LYS 514 Ca -0.06 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 58.95 1vhi h LYS 514 Cb 1.13 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1vhi h LYS 514 CO 0.20 0.45 -1.39 1.15 -2.27 0.00 0.00 179.45 177.59 1vhi h THR 515 N 0.12 1.31 -0.00 1.00 2.02 -1.97 0.39 112.91 115.78 1vhi h THR 515 Ca 0.02 -2.68 0.03 0.00 0.77 0.00 0.00 66.41 64.54 1vhi h THR 515 Cb 0.63 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.94 1vhi h THR 515 CO 0.05 0.80 -0.22 0.28 0.37 0.00 0.00 175.52 176.80 1vhi h SER 516 N 0.17 -0.64 -0.34 4.18 0.02 -1.79 -2.04 113.55 113.11 1vhi h SER 516 Ca -0.22 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1vhi h SER 516 Cb 2.08 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.86 1vhi h SER 516 CO 0.26 -0.29 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.51 1vhi h LEU 517 N -0.35 0.74 -1.15 5.07 3.38 -1.11 -1.07 115.31 120.82 1vhi h LEU 517 Ca 0.06 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1vhi h LEU 517 Cb 0.43 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1vhi h LEU 517 CO -0.20 0.86 0.59 0.22 0.09 0.00 0.00 178.44 180.00 1vhi h TYR 518 N 0.69 1.02 -0.14 1.13 3.20 -0.79 -1.72 116.97 120.35 1vhi h TYR 518 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1vhi h TYR 518 Cb 0.54 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1vhi h TYR 518 CO 0.03 0.50 -0.34 -0.91 -1.64 0.00 0.00 178.16 175.80 1vhi h ASN 519 N 0.97 0.55 -0.47 -2.11 2.35 -0.56 -1.72 115.58 114.59 1vhi h ASN 519 Ca 0.41 -0.57 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1vhi h ASN 519 Cb 0.31 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1vhi h ASN 519 CO -0.17 1.02 0.28 0.25 -1.65 0.00 0.00 177.43 177.16 1vhi h LEU 520 N 0.10 0.47 -0.07 1.61 6.46 -1.01 -1.98 115.31 120.89 1vhi h LEU 520 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1vhi h LEU 520 Cb 0.94 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1vhi h LEU 520 CO 0.07 0.33 0.02 -0.09 -0.62 0.00 0.00 178.44 178.16 1vhi h ARG 521 N 0.57 0.11 -0.44 1.25 2.43 -1.34 0.20 114.38 117.16 1vhi h ARG 521 Ca 0.18 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1vhi h ARG 521 Cb -0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1vhi h ARG 521 CO -0.08 0.27 0.21 -0.09 -1.51 0.00 0.00 179.97 178.77 1vhi h ARG 522 N -0.08 0.61 -0.08 0.20 2.43 -1.25 -1.20 114.38 115.01 1vhi h ARG 522 Ca 0.02 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 1vhi h ARG 522 Cb 0.21 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1vhi h ARG 522 CO -0.00 0.48 -0.45 0.78 -1.51 0.00 0.00 179.97 179.27 1vhi h GLY 523 N 0.73 0.50 0.15 2.80 0.00 -0.90 -2.90 103.07 103.45 1vhi h GLY 523 Ca 0.15 -0.72 0.08 0.00 0.00 0.00 0.00 47.33 46.84 1vhi h GLY 523 CO -0.02 0.64 -0.14 -0.84 0.00 0.00 0.00 176.54 176.18 1vhi h THR 524 N 0.02 0.53 -0.71 4.70 2.02 -0.32 -0.05 112.91 119.10 1vhi h THR 524 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1vhi h THR 524 Cb 1.10 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 1vhi h THR 524 CO 0.09 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.28 1vhi h ALA 525 N 1.28 0.99 0.00 6.16 0.00 -1.24 0.24 119.26 126.69 1vhi h ALA 525 Ca 0.19 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1vhi h ALA 525 Cb 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1vhi h ALA 525 CO -0.43 -0.16 -0.72 -0.07 0.00 0.00 0.00 179.25 177.87 1vhi h LEU 526 N 0.48 0.00 0.00 0.00 3.38 -1.13 -3.19 115.31 114.85 1vhi h LEU 526 Ca 0.38 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.23 1vhi h LEU 526 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1vhi h LEU 526 CO -0.35 0.72 -0.64 0.00 0.09 0.00 0.00 178.44 178.26 1vhi h ALA 527 N 1.28 0.65 -3.21 1.53 0.00 0.74 -3.43 119.26 116.82 1vhi h ALA 527 Ca -0.01 -0.52 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 1vhi h ALA 527 Cb 1.36 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 1vhi h ALA 527 CO 0.09 0.69 -0.76 0.42 0.00 0.00 0.00 179.25 179.69 1vhi s ILE 528 N -2.95 0.80 0.53 0.00 1.01 0.68 -4.88 121.20 116.39 1vhi s ILE 528 Ca 0.03 -1.14 0.21 0.00 0.00 0.00 0.00 60.65 59.75 1vhi s ILE 528 Cb 0.08 -1.48 0.29 0.00 0.01 0.00 0.00 42.46 41.35 1vhi s ILE 528 CO 0.76 -0.51 2.16 -0.65 0.00 0.00 0.00 174.94 176.69 1vhi h PRO 529 N 8.13 0.00 -0.55 2.79 0.11 -1.84 -3.29 132.00 137.35 1vhi h PRO 529 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1vhi h PRO 529 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1vhi h PRO 529 CO 0.43 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 179.29 1vhi n GLN 530 N -4.20 2.03 -4.62 1.05 3.00 -1.26 -4.89 117.38 108.49 1vhi n GLN 530 Ca -0.03 -1.08 -0.28 0.00 -0.01 0.00 0.00 57.00 55.60 1vhi n GLN 530 Cb 0.12 -1.49 -0.09 0.00 0.00 0.00 0.00 30.24 28.78 1vhi n GLN 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vhi s ARG 532 N -3.80 0.48 -0.00 0.00 1.81 -0.90 -4.94 118.95 111.59 1vhi s ARG 532 Ca 0.22 -0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.12 1vhi s ARG 532 Cb 0.05 -0.48 -0.03 0.00 -0.45 0.00 0.00 34.95 34.04 1vhi s ARG 532 CO 0.11 0.08 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.13 1vhi s LEU 533 N 0.08 2.62 0.47 2.53 1.43 -1.26 -0.50 118.68 124.05 1vhi s LEU 533 Ca -0.01 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1vhi s LEU 533 Cb -0.04 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 1vhi s LEU 533 CO -0.00 0.30 0.83 0.42 0.23 0.00 0.00 176.35 178.13 1vhi s THR 534 N -0.82 4.79 0.99 5.49 -4.23 -0.21 -5.00 115.64 116.65 1vhi s THR 534 Ca 0.13 0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 61.03 1vhi s THR 534 Cb -0.10 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 1vhi s THR 534 CO 0.03 -0.72 -0.57 -0.81 -0.54 0.00 0.00 174.62 172.01 1vhi n PRO 535 N -1.82 -0.94 -3.26 3.99 -0.04 -1.26 -4.56 135.00 127.12 1vhi n PRO 535 Ca 0.03 -0.27 -0.39 0.00 -0.04 0.00 0.00 63.50 62.83 1vhi n PRO 535 Cb 0.54 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1vhi n PRO 535 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vhi s LEU 536 N 3.52 4.49 0.31 1.53 1.43 -1.26 -4.61 118.68 124.09 1vhi s LEU 536 Ca 0.39 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1vhi s LEU 536 Cb -0.01 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1vhi s LEU 536 CO 0.54 0.22 0.15 -0.55 0.23 0.00 0.00 176.35 176.94 1vhi s SER 537 N -0.82 1.64 0.30 2.29 0.15 -1.10 -4.97 113.70 111.20 1vhi s SER 537 Ca 0.29 -1.54 0.02 0.00 0.70 0.00 0.00 55.95 55.42 1vhi s SER 537 Cb -0.19 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1vhi s SER 537 CO 0.18 -0.87 0.48 -0.13 1.20 0.00 0.00 173.24 174.10 1vhi s ARG 538 N -3.83 3.47 -0.04 5.44 0.52 -1.26 -1.77 118.95 121.48 1vhi s ARG 538 Ca 0.35 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1vhi s ARG 538 Cb 0.05 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 1vhi s ARG 538 CO 0.17 0.26 0.06 -1.17 0.02 0.00 0.00 175.30 174.64 1vhi s LEU 539 N -4.17 3.84 0.98 2.53 2.96 0.13 -4.84 118.68 120.10 1vhi s LEU 539 Ca 0.38 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 54.33 1vhi s LEU 539 Cb -0.09 -2.11 0.18 0.00 0.50 0.00 0.00 46.19 44.66 1vhi s LEU 539 CO 0.33 0.32 1.11 -2.16 -1.32 0.00 0.00 176.35 174.63 1vhi s PRO 540 N -1.42 0.61 0.60 0.98 0.04 -1.26 0.14 135.00 134.69 1vhi s PRO 540 Ca 0.19 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.58 1vhi s PRO 540 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1vhi s PRO 540 CO 0.09 -2.59 0.95 -0.06 0.04 0.00 0.00 177.00 175.44 1vhi s PHE 541 N -3.07 3.41 0.00 0.56 0.08 -1.04 -4.54 117.98 113.39 1vhi s PHE 541 Ca 0.65 0.91 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1vhi s PHE 541 Cb -0.17 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1vhi s PHE 541 CO 0.56 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 175.32 1vhi n GLY 542 N -2.66 -0.15 0.22 4.36 0.00 -1.26 -4.83 105.19 100.87 1vhi n GLY 542 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1vhi n GLY 542 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1vhi h MET 543 N 0.00 0.71 -2.26 1.61 1.85 -2.02 -3.36 114.93 111.46 1vhi h MET 543 Ca 0.00 -0.14 -0.53 0.00 -0.61 0.00 0.00 59.70 58.42 1vhi h MET 543 Cb 0.00 -0.11 -0.36 0.00 0.43 0.00 0.00 31.60 31.56 1vhi h MET 543 CO 0.00 0.66 -0.87 0.00 -0.40 0.00 0.00 176.91 176.29 1vhi s ALA 544 N -5.49 0.78 0.30 0.39 0.00 -1.26 -5.10 121.76 111.39 1vhi s ALA 544 Ca -0.13 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.56 1vhi s ALA 544 Cb 0.11 -1.74 -0.12 0.00 0.00 0.00 0.00 23.12 21.38 1vhi s ALA 544 CO 0.77 -2.05 1.52 -2.30 0.00 0.00 0.00 175.76 173.70 1vhi n PRO 545 N 3.31 2.54 0.00 0.00 -0.02 -1.26 -4.95 135.00 134.63 1vhi n PRO 545 Ca 0.22 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 1vhi n PRO 545 Cb 0.46 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1vhi n PRO 545 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vhi n GLY 546 N 1.71 0.00 0.10 -1.23 0.00 -1.26 -4.92 105.19 99.59 1vhi n GLY 546 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1vhi n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vhi n PRO 547 N 0.00 0.52 -0.96 1.61 -0.04 -1.26 -5.09 135.00 129.78 1vhi n PRO 547 Ca 0.00 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1vhi n PRO 547 Cb 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1vhi n PRO 547 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vhi n GLY 548 N 1.47 -4.22 0.15 0.55 0.00 -1.26 -4.96 105.19 96.92 1vhi n GLY 548 Ca -0.23 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1vhi n GLY 548 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vhi h PRO 549 N 1.57 0.45 -6.98 1.61 0.13 -2.04 -3.47 132.00 123.26 1vhi h PRO 549 Ca 0.00 -0.30 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 1vhi h PRO 549 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1vhi h PRO 549 CO 0.00 0.90 0.32 -0.65 -0.23 0.00 0.00 178.00 178.34 1vhi s GLN 550 N -3.98 4.31 0.38 0.86 -1.52 -1.26 -5.01 119.66 113.44 1vhi s GLN 550 Ca -0.14 1.14 -0.27 0.00 -1.95 0.00 0.00 55.36 54.15 1vhi s GLN 550 Cb 0.05 -2.38 -0.11 0.00 -0.22 0.00 0.00 33.01 30.36 1vhi s GLN 550 CO 0.79 0.07 1.30 -0.35 -0.25 0.00 0.00 175.29 176.85 1vhi n PRO 551 N -0.27 2.09 -0.34 2.91 -0.04 -1.26 -4.80 135.00 133.28 1vhi n PRO 551 Ca 0.05 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.38 1vhi n PRO 551 Cb 0.53 -2.39 0.26 0.00 -0.04 0.00 0.00 33.50 31.86 1vhi n PRO 551 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vhi n GLY 552 N 0.76 -1.36 0.43 0.55 0.00 -1.26 -0.37 105.19 103.94 1vhi n GLY 552 Ca 0.05 0.96 0.23 0.00 0.00 0.00 0.00 46.02 47.26 1vhi n GLY 552 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vhi h PRO 553 N 0.00 0.29 0.00 1.61 0.11 -1.96 -3.06 132.00 128.99 1vhi h PRO 553 Ca 0.57 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1vhi h PRO 553 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1vhi h PRO 553 CO -0.92 0.19 -1.07 1.28 -0.21 0.00 0.00 178.00 177.27 1vhi n LEU 554 N -4.48 0.61 -4.68 2.35 4.77 0.50 -4.90 117.00 111.17 1vhi n LEU 554 Ca 0.22 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 1vhi n LEU 554 Cb 0.85 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1vhi n LEU 554 CO 0.31 -0.02 1.26 -0.13 -1.33 0.00 0.00 177.39 177.48 1vhi s ARG 555 N -3.26 4.22 -0.09 3.23 0.52 -1.16 -4.98 118.95 117.43 1vhi s ARG 555 Ca 0.02 2.16 -0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1vhi s ARG 555 Cb 0.13 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 1vhi s ARG 555 CO 0.80 -0.71 -0.06 -1.83 0.02 0.00 0.00 175.30 173.52 1vhi s GLU 556 N 2.94 2.96 0.81 3.54 -1.05 -1.26 -2.48 118.70 124.16 1vhi s GLU 556 Ca 0.70 -0.55 -0.14 0.00 -0.15 0.00 0.00 54.97 54.84 1vhi s GLU 556 Cb -0.35 -2.66 0.19 0.00 -0.44 0.00 0.00 34.13 30.87 1vhi s GLU 556 CO 0.29 0.56 1.07 -1.13 0.95 0.00 0.00 175.26 177.01 1vhi n SER 557 N 2.53 -0.04 -1.58 0.83 3.41 0.12 -4.88 113.62 114.03 1vhi n SER 557 Ca -0.18 -1.37 0.10 0.00 -0.26 0.00 0.00 58.87 57.16 1vhi n SER 557 Cb 0.53 -0.83 0.36 0.00 -0.26 0.00 0.00 64.21 64.01 1vhi n SER 557 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1vhi n ILE 558 N -3.55 1.67 -2.98 -1.33 -5.35 -1.26 -4.24 119.36 102.32 1vhi n ILE 558 Ca 0.13 -1.15 -0.40 0.00 -0.27 0.00 0.00 62.75 61.06 1vhi n ILE 558 Cb 0.47 0.21 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 1vhi n ILE 558 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1vhi s VAL 559 N -1.67 4.98 0.38 7.28 1.01 -1.26 -4.94 120.40 126.18 1vhi s VAL 559 Ca 0.52 1.51 0.03 0.00 0.00 0.00 0.00 61.98 64.04 1vhi s VAL 559 Cb 0.32 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1vhi s VAL 559 CO 0.27 0.16 0.56 0.00 0.00 0.00 0.00 175.10 176.09 1vhi s TYR 561 N -2.35 1.29 0.15 0.00 1.13 -0.73 -1.22 117.35 115.63 1vhi s TYR 561 Ca 0.45 -1.41 -0.18 0.00 -1.41 0.00 0.00 57.07 54.51 1vhi s TYR 561 Cb -0.10 -0.51 0.04 0.00 -1.10 0.00 0.00 41.96 40.30 1vhi s TYR 561 CO 0.35 -0.79 0.49 -0.59 -2.51 0.00 0.00 175.55 172.49 1vhi s PHE 562 N -3.81 -0.28 0.10 -3.49 -0.12 -0.11 -2.69 117.98 107.58 1vhi s PHE 562 Ca 0.37 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.32 1vhi s PHE 562 Cb 0.04 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 1vhi s PHE 562 CO 0.18 -0.79 -0.19 -1.64 -0.05 0.00 0.00 175.22 172.73 1vhi s MET 563 N -3.80 1.05 -0.13 1.99 -1.94 -1.26 -1.43 119.30 113.77 1vhi s MET 563 Ca 0.04 -1.13 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1vhi s MET 563 Cb 0.00 -1.22 -0.00 0.00 2.01 0.00 0.00 34.83 35.62 1vhi s MET 563 CO -0.10 0.28 -0.19 0.08 -0.01 0.00 0.00 175.02 175.08 1vhi s VAL 564 N -1.28 2.43 -0.12 -6.03 1.01 -0.91 -1.04 120.40 114.45 1vhi s VAL 564 Ca 0.05 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1vhi s VAL 564 Cb -0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1vhi s VAL 564 CO 0.04 0.54 0.15 -0.36 0.00 0.00 0.00 175.10 175.46 1vhi s PHE 565 N 0.61 3.60 0.09 5.22 0.08 0.35 -2.67 117.98 125.26 1vhi s PHE 565 Ca -0.10 0.54 -0.01 0.00 0.12 0.00 0.00 56.93 57.47 1vhi s PHE 565 Cb -0.16 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1vhi s PHE 565 CO 0.03 0.74 0.03 -0.51 -0.10 0.00 0.00 175.22 175.41 1vhi s LEU 566 N -1.04 2.06 0.00 -0.37 2.01 0.41 -2.13 118.68 119.63 1vhi s LEU 566 Ca 0.15 -1.09 0.15 0.00 0.01 0.00 0.00 54.13 53.35 1vhi s LEU 566 Cb -0.12 0.30 -0.06 0.00 0.01 0.00 0.00 46.19 46.32 1vhi s LEU 566 CO 0.04 -0.68 0.74 0.00 1.01 0.00 0.00 176.35 177.47 1vhi n GLN 567 N -0.00 1.93 -4.27 1.70 6.02 -1.26 -1.77 117.38 119.73 1vhi n GLN 567 Ca -0.10 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 56.25 1vhi n GLN 567 Cb 0.62 -1.22 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 1vhi n GLN 567 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1vhi s THR 568 N -2.01 1.11 -0.18 5.09 -4.23 -1.26 -4.63 115.64 109.53 1vhi s THR 568 Ca 0.10 -2.05 0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1vhi s THR 568 Cb 0.12 -1.97 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 1vhi s THR 568 CO 0.46 -0.64 0.94 1.41 -0.54 0.00 0.00 174.62 176.24 1vhi n HIS 569 N -0.25 0.97 0.11 3.99 8.25 -1.26 -3.53 115.22 123.51 1vhi n HIS 569 Ca -0.09 0.30 -0.22 0.00 -0.26 0.00 0.00 57.72 57.45 1vhi n HIS 569 Cb 0.61 -1.02 -0.15 0.00 1.12 0.00 0.00 29.99 30.56 1vhi n HIS 569 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1vhi h ILE 570 N 0.00 1.22 -0.47 1.59 6.09 -1.97 -1.92 117.51 122.05 1vhi h ILE 570 Ca -0.08 -2.73 0.05 0.00 -1.37 0.00 0.00 64.86 60.74 1vhi h ILE 570 Cb 1.27 2.93 -0.03 0.00 0.47 0.00 0.00 36.82 41.46 1vhi h ILE 570 CO 0.02 0.84 0.32 0.15 -3.07 0.00 0.00 178.15 176.40 1vhi h PHE 571 N 0.12 0.43 -0.43 2.19 3.57 -1.70 0.16 116.94 121.27 1vhi h PHE 571 Ca -0.26 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.14 1vhi h PHE 571 Cb 2.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 1vhi h PHE 571 CO 0.10 0.24 -0.18 0.00 -2.23 0.00 0.00 178.31 176.24 1vhi h ALA 572 N 1.74 0.61 -0.35 2.41 0.00 -1.59 0.24 119.26 122.33 1vhi h ALA 572 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1vhi h ALA 572 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1vhi h ALA 572 CO -0.05 0.56 0.14 1.49 0.00 0.00 0.00 179.25 181.38 1vhi h GLU 573 N 0.72 0.52 -0.18 0.00 4.57 0.08 -1.49 114.58 118.79 1vhi h GLU 573 Ca 0.10 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1vhi h GLU 573 Cb 0.74 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1vhi h GLU 573 CO 0.06 0.51 -0.26 -0.39 -1.18 0.00 0.00 179.01 177.75 1vhi h VAL 574 N 0.42 1.25 0.16 0.32 -1.51 -1.02 -1.95 116.25 113.92 1vhi h VAL 574 Ca 0.12 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 1vhi h VAL 574 Cb 0.19 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1vhi h VAL 574 CO -0.01 0.37 -0.08 0.25 -1.23 0.00 0.00 177.57 176.87 1vhi h LEU 575 N 0.30 -0.18 -0.63 4.19 5.85 -0.41 -1.76 115.31 122.67 1vhi h LEU 575 Ca 0.05 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1vhi h LEU 575 Cb 0.62 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1vhi h LEU 575 CO 0.04 0.12 0.20 0.50 -0.34 0.00 0.00 178.44 178.97 1vhi h LYS 576 N -0.50 0.34 -0.18 1.25 3.11 -1.07 -0.71 116.57 118.81 1vhi h LYS 576 Ca -0.02 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1vhi h LYS 576 Cb 0.39 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1vhi h LYS 576 CO 0.04 0.23 -0.25 -0.44 -2.81 0.00 0.00 179.45 176.21 1vhi h ASP 577 N 0.35 0.33 0.35 4.20 3.32 -1.33 -1.97 116.42 121.68 1vhi h ASP 577 Ca 0.33 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1vhi h ASP 577 Cb 0.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1vhi h ASP 577 CO -0.36 0.59 -0.62 0.00 -1.72 0.00 0.00 179.24 177.13 1vhi h ALA 578 N 1.44 0.81 -0.25 3.45 0.00 -0.44 -2.46 119.26 121.80 1vhi h ALA 578 Ca 0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1vhi h ALA 578 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vhi h ALA 578 CO 0.04 0.74 -0.07 0.82 0.00 0.00 0.00 179.25 180.79 1vhi h ILE 579 N 0.19 1.29 -0.21 0.00 2.04 -0.87 -1.47 117.51 118.48 1vhi h ILE 579 Ca -0.01 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.82 1vhi h ILE 579 Cb 1.14 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.63 1vhi h ILE 579 CO 0.10 0.34 -0.35 0.11 0.00 0.00 0.00 178.15 178.35 1vhi h LYS 580 N 0.23 -0.36 -0.94 2.37 1.57 -1.34 -1.42 116.57 116.67 1vhi h LYS 580 Ca 0.06 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1vhi h LYS 580 Cb 0.54 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 1vhi h LYS 580 CO 0.03 -0.24 0.62 -0.44 -0.57 0.00 0.00 179.45 178.85 1vhi h ASP 581 N -0.38 1.09 0.19 0.86 3.32 -1.38 -2.81 116.42 117.31 1vhi h ASP 581 Ca 0.11 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1vhi h ASP 581 Cb 0.56 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1vhi h ASP 581 CO -0.42 0.79 -0.09 0.25 -1.72 0.00 0.00 179.24 178.05 1vhi h LEU 582 N 1.28 -0.21 -2.10 1.55 5.85 -0.87 -3.27 115.31 117.53 1vhi h LEU 582 Ca 0.35 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1vhi h LEU 582 Cb -0.14 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1vhi h LEU 582 CO -0.07 0.30 -0.01 -0.37 -0.34 0.00 0.00 178.44 177.94 1vhi h VAL 583 N -0.83 0.87 0.00 1.05 -1.51 -1.31 -1.25 116.25 113.27 1vhi h VAL 583 Ca -0.03 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1vhi h VAL 583 Cb 0.52 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1vhi h VAL 583 CO 0.04 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.40 1vhi h MET 584 N 0.00 0.00 0.00 5.19 -0.00 -1.55 -1.44 114.93 117.13 1vhi h MET 584 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vhi h MET 584 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1vhi h MET 584 CO 0.00 0.00 -0.01 2.41 -0.00 0.00 0.00 176.91 179.32 1vhi n THR 585 N -2.76 0.00 -4.09 -0.10 -1.04 -0.47 -4.91 114.28 100.92 1vhi n THR 585 Ca -0.00 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 1vhi n THR 585 Cb 0.19 -0.49 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 1vhi n THR 585 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1vhi s LYS 586 N -3.00 2.52 0.50 -2.82 -0.14 -0.54 -5.11 119.74 111.15 1vhi s LYS 586 Ca 0.14 -1.39 -0.17 0.00 -1.36 0.00 0.00 55.97 53.19 1vhi s LYS 586 Cb 0.19 -2.30 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 1vhi s LYS 586 CO 0.53 0.21 0.98 -1.25 -0.76 0.00 0.00 175.35 175.07 1vhi s PRO 587 N -3.84 3.97 0.47 -1.68 0.04 -1.26 -4.17 135.00 128.52 1vhi s PRO 587 Ca 0.36 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1vhi s PRO 587 Cb -0.05 -2.14 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1vhi s PRO 587 CO 0.23 -0.25 0.37 0.00 0.04 0.00 0.00 177.00 177.39 1vhi n ALA 588 N -1.41 -1.86 1.08 8.56 0.00 -1.26 -1.95 120.51 123.66 1vhi n ALA 588 Ca 0.07 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1vhi n ALA 588 Cb 0.54 -1.69 0.61 0.00 0.00 0.00 0.00 19.45 18.91 1vhi n ALA 588 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vhi n PRO 589 N 0.68 0.19 -0.21 0.00 -0.04 -1.26 -4.80 135.00 129.56 1vhi n PRO 589 Ca 0.11 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1vhi n PRO 589 Cb 0.43 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.75 1vhi n PRO 589 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1vhi h THR 590 N 0.00 0.96 0.00 0.52 2.02 -1.73 0.32 112.91 115.00 1vhi h THR 590 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1vhi h THR 590 Cb 0.35 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1vhi h THR 590 CO 0.00 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1vhi n ASN 592 N -1.52 3.86 -4.74 0.00 5.03 0.11 -4.72 115.26 113.28 1vhi n ASN 592 Ca 0.03 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 53.07 1vhi n ASN 592 Cb 0.14 -0.46 -0.04 0.00 -1.02 0.00 0.00 39.78 38.40 1vhi n ASN 592 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1vhi s ILE 593 N -1.01 3.88 0.15 2.41 1.01 -1.08 -3.65 121.20 122.91 1vhi s ILE 593 Ca 0.46 1.61 0.08 0.00 0.00 0.00 0.00 60.65 62.81 1vhi s ILE 593 Cb 0.24 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1vhi s ILE 593 CO 0.32 0.27 -0.08 -0.13 0.00 0.00 0.00 174.94 175.32 1vhi s ARG 594 N -0.33 2.16 -0.04 2.79 1.81 -0.03 -4.93 118.95 120.39 1vhi s ARG 594 Ca 0.50 -1.14 -0.06 0.00 -1.72 0.00 0.00 55.73 53.30 1vhi s ARG 594 Cb -0.29 -2.26 0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1vhi s ARG 594 CO 0.35 0.47 0.15 0.54 -0.68 0.00 0.00 175.30 176.12 1vhi s VAL 595 N -1.53 0.03 -0.04 3.52 0.11 -1.26 -1.39 120.40 119.84 1vhi s VAL 595 Ca 0.24 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1vhi s VAL 595 Cb -0.10 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1vhi s VAL 595 CO 0.15 -0.15 0.20 0.28 -3.33 0.00 0.00 175.10 172.25 1vhi s THR 596 N -0.50 0.04 0.46 5.04 -1.32 -0.87 -4.94 115.64 113.55 1vhi s THR 596 Ca -0.06 -0.32 -0.17 0.00 -1.21 0.00 0.00 61.69 59.92 1vhi s THR 596 Cb -0.04 -0.40 -0.09 0.00 -1.51 0.00 0.00 72.50 70.47 1vhi s THR 596 CO 0.01 -0.18 0.94 -0.69 -2.21 0.00 0.00 174.62 172.49 1vhi s VAL 597 N -0.65 4.52 0.04 5.08 1.01 -1.26 -0.22 120.40 128.92 1vhi s VAL 597 Ca -0.07 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 1vhi s VAL 597 Cb -0.04 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1vhi s VAL 597 CO 0.01 -0.52 0.15 0.00 0.00 0.00 0.00 175.10 174.74 1vhi s SER 599 N -2.08 3.12 -0.19 0.00 1.04 -1.26 -1.18 113.70 113.15 1vhi s SER 599 Ca -0.05 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 1vhi s SER 599 Cb -0.01 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 1vhi s SER 599 CO -0.04 0.12 -0.08 -0.36 0.98 0.00 0.00 173.24 173.87 1vhi s PHE 600 N -1.30 2.91 0.19 5.02 0.08 -0.20 -4.96 117.98 119.71 1vhi s PHE 600 Ca 0.14 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.19 1vhi s PHE 600 Cb -0.09 -2.02 0.17 0.00 -0.57 0.00 0.00 43.02 40.51 1vhi s PHE 600 CO 0.07 -0.45 1.79 -0.44 -0.10 0.00 0.00 175.22 176.08 1vhi h ASP 601 N 7.66 0.41 -0.54 1.36 5.19 -1.97 -1.53 116.42 127.01 1vhi h ASP 601 Ca -0.37 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1vhi h ASP 601 Cb 1.17 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1vhi h ASP 601 CO 0.60 0.28 0.00 0.47 -3.12 0.00 0.00 179.24 177.47 1vhi n ASP 602 N -4.86 4.04 -0.29 6.45 8.00 -1.26 -5.09 116.55 123.53 1vhi n ASP 602 Ca 0.06 -2.32 0.02 0.00 0.71 0.00 0.00 54.79 53.25 1vhi n ASP 602 Cb 0.15 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1vhi n ASP 602 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vhi n GLY 603 N 0.86 -2.88 3.51 0.44 0.00 -0.58 -4.93 105.19 101.61 1vhi n GLY 603 Ca 0.21 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1vhi n GLY 603 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhi s VAL 604 N -3.66 3.90 -0.59 1.61 1.01 -0.20 -4.98 120.40 117.50 1vhi s VAL 604 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1vhi s VAL 604 Cb 0.00 -2.70 0.09 0.00 0.00 0.00 0.00 36.38 33.77 1vhi s VAL 604 CO 0.00 0.50 0.73 -1.81 0.00 0.00 0.00 175.10 174.52 1vhi s ASP 605 N 0.29 6.19 0.24 3.32 1.01 -1.26 -4.23 116.67 122.23 1vhi s ASP 605 Ca -0.03 -1.28 -0.30 0.00 0.71 0.00 0.00 52.55 51.65 1vhi s ASP 605 Cb -0.14 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 1vhi s ASP 605 CO 0.03 -1.13 0.94 -0.76 0.21 0.00 0.00 175.17 174.46 1vhi s LEU 606 N 2.88 4.64 0.00 1.23 1.43 -1.26 -5.18 118.68 122.43 1vhi s LEU 606 Ca 0.14 1.96 0.16 0.00 -1.03 0.00 0.00 54.13 55.35 1vhi s LEU 606 Cb -0.22 -3.61 0.95 0.00 0.03 0.00 0.00 46.19 43.34 1vhi s LEU 606 CO 0.08 0.15 1.36 -0.81 0.23 0.00 0.00 176.35 177.36