#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 4.55 -0.18 1.61 0.02 -1.26 -3.54 135.00 136.19 2kuf s PRO 492 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.64 2kuf s PRO 492 Cb 0.00 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2kuf s PRO 492 CO 0.00 0.18 0.00 0.00 -0.33 0.00 0.00 177.00 176.85 2kuf n ALA 493 N 0.85 -0.03 -3.17 -1.55 0.00 -1.26 -4.90 120.51 110.45 2kuf n ALA 493 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2kuf n ALA 493 Cb 0.47 -1.54 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 2kuf n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kuf s THR 494 N -1.15 -0.00 -0.02 0.00 -4.23 -1.23 -0.57 115.64 108.43 2kuf s THR 494 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2kuf s THR 494 Cb 0.00 -0.37 0.02 0.00 1.34 0.00 0.00 72.50 73.49 2kuf s THR 494 CO 0.00 0.00 0.01 -0.54 -0.54 0.00 0.00 174.62 173.56 2kuf s LYS 495 N 0.19 0.05 -0.09 3.99 1.02 0.82 -2.02 119.74 123.70 2kuf s LYS 495 Ca -0.00 0.10 -0.14 0.00 0.02 0.00 0.00 55.97 55.95 2kuf s LYS 495 Cb -0.02 -0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.00 2kuf s LYS 495 CO -0.00 -0.11 0.34 0.16 -0.92 0.00 0.00 175.35 174.82 2kuf s ASP 496 N 0.74 6.60 -0.06 2.83 -4.77 -1.26 -1.42 116.67 119.33 2kuf s ASP 496 Ca -0.06 0.71 -0.28 0.00 -3.30 0.00 0.00 52.55 49.62 2kuf s ASP 496 Cb -0.09 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.51 2kuf s ASP 496 CO -0.02 0.22 0.91 0.27 0.70 0.00 0.00 175.17 177.25 2kuf s ILE 497 N -0.32 4.88 0.93 2.11 -4.36 -0.74 -4.95 121.20 118.75 2kuf s ILE 497 Ca 0.20 1.87 -0.13 0.00 -0.26 0.00 0.00 60.65 62.33 2kuf s ILE 497 Cb -0.14 -4.24 0.19 0.00 1.25 0.00 0.00 42.46 39.52 2kuf s ILE 497 CO 0.08 0.12 1.27 -2.16 0.24 0.00 0.00 174.94 174.49 2kuf s PRO 498 N 1.40 0.76 -0.45 0.37 0.04 -1.26 0.24 135.00 136.09 2kuf s PRO 498 Ca 0.46 -0.58 -0.17 0.00 0.04 0.00 0.00 61.00 60.75 2kuf s PRO 498 Cb -0.19 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2kuf s PRO 498 CO 0.21 -2.28 0.45 0.16 0.04 0.00 0.00 177.00 175.58 2kuf s ASP 499 N -4.88 6.18 -0.16 6.66 -4.77 -1.26 -4.57 116.67 113.87 2kuf s ASP 499 Ca 0.73 -0.92 0.16 0.00 -3.30 0.00 0.00 52.55 49.22 2kuf s ASP 499 Cb -0.04 -2.22 0.49 0.00 -1.09 0.00 0.00 42.92 40.07 2kuf s ASP 499 CO 0.52 -0.65 1.39 1.33 0.70 0.00 0.00 175.17 178.46 2kuf n VAL 500 N 5.38 2.12 -2.26 2.11 0.24 -1.26 -4.95 118.33 119.70 2kuf n VAL 500 Ca -0.09 -1.79 -0.40 0.00 -2.04 0.00 0.00 64.34 60.03 2kuf n VAL 500 Cb 0.46 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 2kuf n VAL 500 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kuf s ALA 501 N -2.61 2.45 0.00 2.33 0.00 -1.26 -3.21 121.76 119.47 2kuf s ALA 501 Ca 0.39 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kuf s ALA 501 Cb 0.31 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2kuf s ALA 501 CO 0.09 -3.57 0.00 0.41 0.00 0.00 0.00 175.76 172.70 2kuf n GLY 502 N 5.54 2.53 2.86 0.00 0.00 -0.58 -4.91 105.19 110.63 2kuf n GLY 502 Ca 0.13 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2kuf n GLY 502 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kuf n GLN 503 N 0.00 -1.46 -2.01 1.61 3.00 -1.20 -4.69 117.38 112.64 2kuf n GLN 503 Ca 0.00 -1.50 -0.32 0.00 -0.01 0.00 0.00 57.00 55.17 2kuf n GLN 503 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 30.24 29.15 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kuf s THR 504 N -3.02 3.96 0.19 5.09 2.01 -1.26 -1.54 115.64 121.07 2kuf s THR 504 Ca 0.57 0.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.33 2kuf s THR 504 Cb -0.03 -3.44 0.12 0.00 0.01 0.00 0.00 72.50 69.17 2kuf s THR 504 CO 0.41 -0.60 1.80 1.62 -0.69 0.00 0.00 174.62 177.15 2kuf h VAL 505 N 0.30 1.22 -0.68 3.82 3.04 -0.79 0.27 116.25 123.43 2kuf h VAL 505 Ca -0.46 -0.60 -0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2kuf h VAL 505 Cb 1.21 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 2kuf h VAL 505 CO 0.58 0.25 0.41 0.44 -1.01 0.00 0.00 177.57 178.24 2kuf h ASP 506 N 0.96 0.82 -0.05 3.17 5.19 -1.93 0.13 116.42 124.71 2kuf h ASP 506 Ca 0.24 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2kuf h ASP 506 Cb 0.08 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 2kuf h ASP 506 CO -0.03 0.64 -0.01 0.58 -3.12 0.00 0.00 179.24 177.29 2kuf h VAL 507 N 0.92 1.30 -0.67 -1.35 2.07 -1.80 -2.11 116.25 114.61 2kuf h VAL 507 Ca 0.24 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2kuf h VAL 507 Cb -0.02 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2kuf h VAL 507 CO -0.05 0.25 0.43 0.00 0.02 0.00 0.00 177.57 178.23 2kuf h ALA 508 N 0.65 0.86 -0.45 1.67 0.00 -0.14 0.39 119.26 122.24 2kuf h ALA 508 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kuf h ALA 508 CO 0.01 0.23 0.18 1.96 0.00 0.00 0.00 179.25 181.62 2kuf h GLN 509 N 0.86 0.68 -0.54 0.00 4.20 -0.71 0.94 115.11 120.54 2kuf h GLN 509 Ca 0.26 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2kuf h GLN 509 Cb -0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2kuf h GLN 509 CO -0.08 0.62 -0.11 0.87 -0.67 0.00 0.00 178.83 179.46 2kuf h LYS 510 N 0.59 1.02 -0.37 1.46 1.79 -0.73 -2.19 116.57 118.14 2kuf h LYS 510 Ca 0.15 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2kuf h LYS 510 Cb 0.20 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2kuf h LYS 510 CO -0.01 1.07 0.18 -0.91 -1.08 0.00 0.00 179.45 178.69 2kuf h ASN 511 N 0.90 0.49 -0.22 0.86 4.21 0.13 0.03 115.58 121.98 2kuf h ASN 511 Ca 0.14 -0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.38 2kuf h ASN 511 Cb 0.68 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 2kuf h ASN 511 CO 0.05 0.48 -0.34 0.17 -1.29 0.00 0.00 177.43 176.50 2kuf h LEU 512 N 0.46 0.77 -1.09 1.61 8.10 -0.79 -2.96 115.31 121.40 2kuf h LEU 512 Ca 0.13 -0.33 -0.06 0.00 0.11 0.00 0.00 57.88 57.73 2kuf h LEU 512 Cb 0.13 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.11 2kuf h LEU 512 CO -0.02 1.04 0.02 -1.13 -4.11 0.00 0.00 178.44 174.25 2kuf h ASN 513 N 0.62 0.62 0.25 0.17 -0.00 -1.03 0.16 115.58 116.37 2kuf h ASN 513 Ca 0.06 -0.13 -0.08 0.00 -0.00 0.00 0.00 56.30 56.15 2kuf h ASN 513 Cb 0.87 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 39.02 2kuf h ASN 513 CO 0.08 0.68 -0.33 1.62 -0.00 0.00 0.00 177.43 179.47 2kuf h VAL 514 N 0.63 1.26 -0.37 2.57 3.04 -0.83 0.40 116.25 122.95 2kuf h VAL 514 Ca 0.13 -1.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2kuf h VAL 514 Cb 0.37 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 2kuf h VAL 514 CO 0.01 0.37 0.00 -1.22 -1.01 0.00 0.00 177.57 175.72 2kuf n TYR 515 N -4.11 0.48 0.04 3.17 4.01 -0.87 -4.71 117.16 115.17 2kuf n TYR 515 Ca -0.01 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2kuf n TYR 515 Cb 0.40 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N 1.14 -0.07 2.54 2.72 0.00 0.51 -5.08 105.19 106.96 2kuf n GLY 516 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2kuf n GLY 516 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kuf n PHE 517 N -2.99 -2.50 -4.26 1.61 3.01 0.14 -4.99 117.46 107.48 2kuf n PHE 517 Ca 0.00 0.99 -0.18 0.00 1.01 0.00 0.00 57.45 59.28 2kuf n PHE 517 Cb 0.15 -3.43 -0.08 0.00 -0.01 0.00 0.00 39.48 36.10 2kuf n PHE 517 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2kuf s THR 518 N -2.41 0.00 -0.13 4.37 -4.23 -1.26 -5.07 115.64 106.90 2kuf s THR 518 Ca 0.14 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2kuf s THR 518 Cb -0.04 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 2kuf s THR 518 CO 0.57 0.00 -0.04 -0.54 -0.54 0.00 0.00 174.62 174.07 2kuf s LYS 519 N -3.60 3.45 0.11 3.99 3.01 -1.26 -4.97 119.74 120.47 2kuf s LYS 519 Ca 0.40 -0.51 0.05 0.00 -1.01 0.00 0.00 55.97 54.90 2kuf s LYS 519 Cb 0.03 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 2kuf s LYS 519 CO 0.24 0.37 -0.13 -0.59 0.51 0.00 0.00 175.35 175.75 2kuf s PHE 520 N 0.02 1.29 0.06 3.18 -0.12 -1.26 -0.78 117.98 120.37 2kuf s PHE 520 Ca 0.01 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.30 2kuf s PHE 520 Cb -0.13 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2kuf s PHE 520 CO 0.03 0.10 -0.01 -1.12 -0.05 0.00 0.00 175.22 174.16 2kuf s SER 521 N -2.40 0.45 -0.03 1.98 0.01 0.98 -4.87 113.70 109.82 2kuf s SER 521 Ca 0.07 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.36 2kuf s SER 521 Cb -0.05 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2kuf s SER 521 CO 0.02 -0.62 -0.11 0.00 0.41 0.00 0.00 173.24 172.94 2kuf s GLN 522 N -3.93 1.10 -0.13 12.44 -2.07 -1.26 -0.13 119.66 125.68 2kuf s GLN 522 Ca 0.09 -0.36 0.01 0.00 -1.82 0.00 0.00 55.36 53.27 2kuf s GLN 522 Cb 0.08 -1.01 -0.01 0.00 -1.09 0.00 0.00 33.01 30.98 2kuf s GLN 522 CO -0.09 0.14 -0.16 0.00 -1.32 0.00 0.00 175.29 173.87 2kuf s ALA 523 N 0.14 2.50 -0.24 2.60 0.00 0.80 -4.89 121.76 122.68 2kuf s ALA 523 Ca -0.03 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2kuf s ALA 523 Cb -0.09 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2kuf s ALA 523 CO 0.01 0.21 0.15 -1.12 0.00 0.00 0.00 175.76 175.01 2kuf s SER 524 N 0.43 6.02 0.13 0.00 0.01 -1.26 -0.11 113.70 118.92 2kuf s SER 524 Ca -0.12 0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.33 2kuf s SER 524 Cb -0.16 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2kuf s SER 524 CO 0.06 0.06 -0.25 0.54 0.41 0.00 0.00 173.24 174.06 2kuf s VAL 525 N 1.09 2.11 -0.03 3.43 0.11 0.79 -4.95 120.40 122.95 2kuf s VAL 525 Ca 0.07 -1.75 -0.18 0.00 -2.93 0.00 0.00 61.98 57.19 2kuf s VAL 525 Cb -0.14 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.76 2kuf s VAL 525 CO 0.05 0.00 0.49 1.51 -3.33 0.00 0.00 175.10 173.82 2kuf s ASP 526 N -2.13 6.83 0.18 3.54 -4.77 -1.26 -0.23 116.67 118.83 2kuf s ASP 526 Ca 0.13 0.99 -0.23 0.00 -3.30 0.00 0.00 52.55 50.14 2kuf s ASP 526 Cb -0.10 -2.30 0.06 0.00 -1.09 0.00 0.00 42.92 39.49 2kuf s ASP 526 CO 0.06 0.16 0.66 -0.44 0.70 0.00 0.00 175.17 176.30 2kuf s SER 527 N -0.28 -0.47 0.00 2.11 0.01 0.06 -4.88 113.70 110.25 2kuf s SER 527 Ca 0.27 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2kuf s SER 527 Cb -0.17 0.62 0.28 0.00 0.21 0.00 0.00 66.02 66.96 2kuf s SER 527 CO 0.14 -1.05 1.14 -2.65 0.41 0.00 0.00 173.24 171.23 2kuf n PRO 528 N -0.40 0.03 -2.44 12.44 -0.02 -1.26 -3.76 135.00 139.60 2kuf n PRO 528 Ca -0.13 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 2kuf n PRO 528 Cb 0.63 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kuf s ARG 529 N -2.85 4.52 0.62 -0.52 1.81 -1.26 -4.90 118.95 116.36 2kuf s ARG 529 Ca 0.04 1.80 -0.19 0.00 -1.72 0.00 0.00 55.73 55.66 2kuf s ARG 529 Cb 0.04 -3.27 -0.02 0.00 -0.45 0.00 0.00 34.95 31.24 2kuf s ARG 529 CO 0.11 -0.05 1.26 -1.25 -0.68 0.00 0.00 175.30 174.68 2kuf s PRO 530 N -0.07 2.77 -0.03 3.54 0.04 -1.26 -2.60 135.00 137.39 2kuf s PRO 530 Ca 0.52 1.97 -0.32 0.00 0.04 0.00 0.00 61.00 63.21 2kuf s PRO 530 Cb -0.31 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 2kuf s PRO 530 CO 0.35 -1.40 1.93 0.00 0.04 0.00 0.00 177.00 177.91 2kuf n ALA 531 N -1.72 1.20 0.00 8.56 0.00 -1.23 -1.61 120.51 125.71 2kuf n ALA 531 Ca 0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2kuf n ALA 531 Cb 0.49 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2kuf n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 532 N 4.48 2.18 3.74 0.00 0.00 -0.78 -4.92 105.19 109.89 2kuf n GLY 532 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2kuf n GLY 532 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kuf s GLU 533 N -0.07 4.73 -0.27 1.61 2.12 -0.64 -0.08 118.70 126.10 2kuf s GLU 533 Ca 0.00 1.55 -0.11 0.00 0.36 0.00 0.00 54.97 56.76 2kuf s GLU 533 Cb 0.00 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 2kuf s GLU 533 CO 0.00 0.29 0.21 0.54 -0.54 0.00 0.00 175.26 175.76 2kuf s VAL 534 N -0.55 5.30 -1.91 3.70 0.11 -0.59 -0.82 120.40 125.64 2kuf s VAL 534 Ca 0.45 0.22 0.31 0.00 -2.93 0.00 0.00 61.98 60.03 2kuf s VAL 534 Cb -0.26 -3.55 0.77 0.00 -1.53 0.00 0.00 36.38 31.81 2kuf s VAL 534 CO 0.32 0.25 2.13 0.35 -3.33 0.00 0.00 175.10 174.82 2kuf n THR 535 N 4.99 0.00 0.00 5.04 -2.24 -0.17 -1.53 114.28 120.38 2kuf n THR 535 Ca -0.13 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2kuf n THR 535 Cb 0.52 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 536 N 1.09 0.34 3.53 3.38 0.00 -1.24 -4.71 105.19 107.59 2kuf n GLY 536 Ca 0.21 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 2kuf n GLY 536 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kuf s THR 537 N -2.53 2.90 0.03 2.61 -4.23 -1.26 -0.30 115.64 112.86 2kuf s THR 537 Ca 0.00 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.26 2kuf s THR 537 Cb 0.00 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.19 2kuf s THR 537 CO 0.00 -0.25 1.39 -1.13 -0.54 0.00 0.00 174.62 174.09 2kuf h ASN 538 N 2.56 -0.31 -3.66 3.99 -1.24 -0.82 -3.41 115.58 112.69 2kuf h ASN 538 Ca -0.44 -0.15 -0.52 0.00 0.71 0.00 0.00 56.30 55.90 2kuf h ASN 538 Cb 1.23 0.08 0.03 0.00 0.73 0.00 0.00 38.32 40.39 2kuf h ASN 538 CO 0.56 -0.02 0.56 -2.84 -1.29 0.00 0.00 177.43 174.40 2kuf s PRO 539 N -5.10 4.50 0.34 6.67 0.02 -1.26 -4.96 135.00 135.21 2kuf s PRO 539 Ca -0.15 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 2kuf s PRO 539 Cb 0.03 -3.18 -0.12 0.00 0.02 0.00 0.00 34.50 31.24 2kuf s PRO 539 CO 0.59 -0.03 1.30 -2.30 -0.33 0.00 0.00 177.00 176.23 2kuf n PRO 540 N 1.73 2.14 -1.87 5.54 -0.02 -1.26 -4.90 135.00 136.36 2kuf n PRO 540 Ca 0.02 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2kuf n PRO 540 Cb 0.44 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 541 N -1.08 3.77 0.00 3.55 0.00 -1.26 -2.15 121.76 124.59 2kuf s ALA 541 Ca 0.56 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2kuf s ALA 541 Cb -0.57 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2kuf s ALA 541 CO 0.62 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2kuf n GLY 542 N 3.06 0.62 3.71 0.00 0.00 0.14 -4.91 105.19 107.80 2kuf n GLY 542 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 543 N -2.01 4.50 -0.12 2.61 2.01 -0.91 -4.74 115.64 116.99 2kuf s THR 543 Ca 0.00 1.80 -0.28 0.00 0.31 0.00 0.00 61.69 63.52 2kuf s THR 543 Cb 0.00 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2kuf s THR 543 CO 0.00 0.11 0.92 0.28 -0.69 0.00 0.00 174.62 175.24 2kuf s THR 544 N 1.26 4.85 0.24 -0.82 -1.32 -1.26 -1.79 115.64 116.79 2kuf s THR 544 Ca 0.54 1.85 0.10 0.00 -1.21 0.00 0.00 61.69 62.97 2kuf s THR 544 Cb -0.24 -4.23 -0.05 0.00 -1.51 0.00 0.00 72.50 66.47 2kuf s THR 544 CO 0.27 0.05 -0.17 0.68 -2.21 0.00 0.00 174.62 173.24 2kuf s VAL 545 N 1.88 2.06 0.42 5.08 -7.23 -0.51 -4.93 120.40 117.16 2kuf s VAL 545 Ca 0.44 -2.30 -0.26 0.00 -1.81 0.00 0.00 61.98 58.06 2kuf s VAL 545 Cb -0.18 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 2kuf s VAL 545 CO 0.17 -0.51 1.29 -2.84 -0.31 0.00 0.00 175.10 172.90 2kuf s PRO 546 N -3.59 3.91 0.61 4.82 0.02 -1.26 -0.13 135.00 139.39 2kuf s PRO 546 Ca 0.26 2.12 0.40 0.00 0.02 0.00 0.00 61.00 63.80 2kuf s PRO 546 Cb -0.03 -2.71 2.03 0.00 0.02 0.00 0.00 34.50 33.82 2kuf s PRO 546 CO 0.10 -0.53 2.22 -0.24 -0.33 0.00 0.00 177.00 178.22 2kuf h VAL 547 N 2.37 0.00 0.00 3.83 3.04 -1.14 0.55 116.25 124.89 2kuf h VAL 547 Ca -0.50 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2kuf h VAL 547 Cb 1.25 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 2kuf h VAL 547 CO 0.62 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.65 2kuf n ASP 548 N -3.04 0.47 -4.88 3.17 9.92 -1.26 -4.80 116.55 116.13 2kuf n ASP 548 Ca -0.02 0.55 -0.33 0.00 -0.53 0.00 0.00 54.79 54.46 2kuf n ASP 548 Cb 0.15 -0.67 -0.05 0.00 -0.64 0.00 0.00 41.12 39.90 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kuf s SER 549 N -3.88 6.61 0.01 -2.24 0.15 0.18 -5.07 113.70 109.47 2kuf s SER 549 Ca 0.12 0.80 -0.17 0.00 0.70 0.00 0.00 55.95 57.40 2kuf s SER 549 Cb 0.15 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.22 2kuf s SER 549 CO 0.55 0.05 0.47 0.54 1.20 0.00 0.00 173.24 176.05 2kuf s VAL 550 N -1.62 4.95 -0.14 4.45 0.11 -1.26 -4.75 120.40 122.15 2kuf s VAL 550 Ca 0.41 0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 60.15 2kuf s VAL 550 Cb -0.13 -3.79 -0.01 0.00 -1.53 0.00 0.00 36.38 30.93 2kuf s VAL 550 CO 0.21 0.54 0.98 -0.63 -3.33 0.00 0.00 175.10 172.87 2kuf s ILE 551 N -0.87 4.78 -0.29 7.04 1.01 0.04 -4.92 121.20 128.00 2kuf s ILE 551 Ca 0.26 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.79 2kuf s ILE 551 Cb -0.17 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 2kuf s ILE 551 CO 0.15 -0.02 0.14 -0.70 0.00 0.00 0.00 174.94 174.51 2kuf s GLU 552 N 2.22 3.58 -0.16 2.79 2.56 -1.26 -0.01 118.70 128.42 2kuf s GLU 552 Ca 0.46 -0.55 -0.16 0.00 0.00 0.00 0.00 54.97 54.72 2kuf s GLU 552 Cb -0.17 -3.53 -0.04 0.00 2.00 0.00 0.00 34.13 32.38 2kuf s GLU 552 CO 0.15 -0.30 0.37 -0.51 -0.56 0.00 0.00 175.26 174.42 2kuf s LEU 553 N 1.65 4.22 -0.64 2.70 2.01 0.81 -0.11 118.68 129.32 2kuf s LEU 553 Ca 0.06 0.59 -0.26 0.00 0.01 0.00 0.00 54.13 54.53 2kuf s LEU 553 Cb -0.16 -2.50 0.04 0.00 0.01 0.00 0.00 46.19 43.58 2kuf s LEU 553 CO 0.07 0.02 1.12 -1.58 1.01 0.00 0.00 176.35 176.99 2kuf s GLN 554 N 0.77 3.28 -0.23 1.70 2.00 0.59 -0.14 119.66 127.63 2kuf s GLN 554 Ca 0.20 -0.24 -0.14 0.00 -2.00 0.00 0.00 55.36 53.17 2kuf s GLN 554 Cb -0.14 -4.12 -0.04 0.00 0.80 0.00 0.00 33.01 29.51 2kuf s GLN 554 CO 0.07 -1.82 0.34 0.08 -0.50 0.00 0.00 175.29 173.45 2kuf s VAL 555 N 4.82 5.22 -0.17 1.34 1.01 0.85 -1.00 120.40 132.47 2kuf s VAL 555 Ca 0.33 0.56 -0.15 0.00 0.00 0.00 0.00 61.98 62.72 2kuf s VAL 555 Cb -0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2kuf s VAL 555 CO 0.17 0.24 0.35 -0.44 0.00 0.00 0.00 175.10 175.43 2kuf s SER 556 N 1.23 6.45 -0.16 3.32 0.01 0.00 -0.15 113.70 124.42 2kuf s SER 556 Ca 0.15 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.86 2kuf s SER 556 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2kuf s SER 556 CO 0.08 0.02 0.13 -1.59 0.41 0.00 0.00 173.24 172.29 2kuf s LYS 557 N 0.84 3.79 0.63 12.44 -2.85 0.68 -1.87 119.74 133.39 2kuf s LYS 557 Ca 0.18 -0.18 0.31 0.00 -1.00 0.00 0.00 55.97 55.29 2kuf s LYS 557 Cb -0.14 -3.29 1.71 0.00 -2.06 0.00 0.00 37.83 34.05 2kuf s LYS 557 CO 0.06 0.55 2.03 0.78 0.10 0.00 0.00 175.35 178.87 2kuf h GLY 558 N 5.79 0.00 0.00 0.59 0.00 -1.59 0.20 103.07 108.06 2kuf h GLY 558 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kuf h GLY 558 CO 0.66 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.19 2kuf n ASN 559 N -3.36 0.00 -4.62 0.19 2.85 -1.26 -4.38 115.26 104.68 2kuf n ASN 559 Ca 0.01 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.24 2kuf n ASN 559 Cb 0.38 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.32 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kuf s GLN 560 N -0.05 2.24 0.09 1.20 -0.21 -1.26 -0.01 119.66 121.66 2kuf s GLN 560 Ca 0.00 -1.35 0.07 0.00 0.02 0.00 0.00 55.36 54.10 2kuf s GLN 560 Cb 0.00 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 2kuf s GLN 560 CO 0.00 0.39 -0.18 -0.59 -2.12 0.00 0.00 175.29 172.79 2kuf s PHE 561 N -2.11 1.59 -0.16 0.91 -0.12 0.68 -4.86 117.98 113.91 2kuf s PHE 561 Ca 0.29 -0.44 -0.29 0.00 -0.05 0.00 0.00 56.93 56.44 2kuf s PHE 561 Cb -0.07 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.41 2kuf s PHE 561 CO 0.18 0.16 1.48 0.08 -0.05 0.00 0.00 175.22 177.07 2kuf s VAL 562 N -1.24 3.90 -0.09 -2.49 1.01 -1.26 -0.58 120.40 119.65 2kuf s VAL 562 Ca 0.04 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.85 2kuf s VAL 562 Cb -0.10 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2kuf s VAL 562 CO 0.04 -0.19 0.68 -0.32 0.00 0.00 0.00 175.10 175.31 2kuf s MET 563 N 4.05 4.40 0.91 2.72 1.75 0.58 -4.93 119.30 128.78 2kuf s MET 563 Ca 0.65 0.83 -0.12 0.00 -1.25 0.00 0.00 55.69 55.80 2kuf s MET 563 Cb -0.26 -3.46 0.14 0.00 2.84 0.00 0.00 34.83 34.09 2kuf s MET 563 CO 0.24 0.03 1.13 -1.25 -0.65 0.00 0.00 175.02 174.52 2kuf s PRO 564 N 0.94 1.15 0.32 4.11 0.04 -1.26 -0.53 135.00 139.77 2kuf s PRO 564 Ca 0.36 0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.46 2kuf s PRO 564 Cb -0.17 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2kuf s PRO 564 CO 0.16 -2.20 1.08 0.16 0.04 0.00 0.00 177.00 176.24 2kuf s ASP 565 N -3.96 7.08 -0.02 6.66 -4.77 -1.26 -4.75 116.67 115.65 2kuf s ASP 565 Ca 0.64 2.19 0.03 0.00 -3.30 0.00 0.00 52.55 52.10 2kuf s ASP 565 Cb -0.15 -2.61 0.04 0.00 -1.09 0.00 0.00 42.92 39.11 2kuf s ASP 565 CO 0.54 -0.27 0.85 0.00 0.70 0.00 0.00 175.17 176.99 2kuf n LEU 566 N 0.74 0.54 -4.75 2.11 -0.00 -1.26 -5.07 117.00 109.32 2kuf n LEU 566 Ca 0.01 -1.05 -0.40 0.00 -0.00 0.00 0.00 56.01 54.57 2kuf n LEU 566 Cb 0.46 -0.06 -0.06 0.00 -0.00 0.00 0.00 43.42 43.77 2kuf n LEU 566 CO 0.51 0.25 0.67 -0.55 -0.00 0.00 0.00 177.39 178.27 2kuf s SER 567 N -0.91 7.58 0.00 1.45 0.15 -1.26 -4.08 113.70 116.63 2kuf s SER 567 Ca 0.04 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2kuf s SER 567 Cb 0.04 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2kuf s SER 567 CO 0.00 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2kuf n GLY 568 N 1.54 1.42 1.95 9.45 0.00 -1.23 -5.04 105.19 113.28 2kuf n GLY 568 Ca -0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2kuf n GLY 568 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kuf n MET 569 N -1.46 0.71 -4.39 1.61 0.00 -1.26 -4.89 117.12 107.45 2kuf n MET 569 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 57.70 55.45 2kuf n MET 569 Cb 0.04 1.11 -0.09 0.00 0.00 0.00 0.00 33.22 34.28 2kuf n MET 569 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kuf s PHE 570 N -2.45 2.46 0.46 3.17 0.08 -1.26 0.03 117.98 120.47 2kuf s PHE 570 Ca 0.12 -0.28 0.28 0.00 0.12 0.00 0.00 56.93 57.17 2kuf s PHE 570 Cb 0.01 -1.10 1.57 0.00 -0.57 0.00 0.00 43.02 42.93 2kuf s PHE 570 CO 0.09 0.65 2.13 2.35 -0.10 0.00 0.00 175.22 180.34 2kuf h TRP 571 N 2.26 0.00 0.00 0.36 2.91 -1.95 0.13 115.95 119.66 2kuf h TRP 571 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2kuf h TRP 571 Cb 1.25 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2kuf h TRP 571 CO 0.74 0.08 0.00 -0.39 -1.03 0.00 0.00 178.44 177.85 2kuf h VAL 572 N 0.00 0.00 0.00 2.65 -1.51 -1.96 -1.80 116.25 113.63 2kuf h VAL 572 Ca -0.00 -0.31 -0.29 0.00 -1.23 0.00 0.00 66.70 64.87 2kuf h VAL 572 Cb 0.24 1.24 -0.05 0.00 -2.13 0.00 0.00 31.29 30.59 2kuf h VAL 572 CO 0.01 0.00 -2.22 -0.67 -1.23 0.00 0.00 177.57 173.46 2kuf n ASP 573 N -2.92 0.42 -0.11 4.19 2.03 0.33 -4.49 116.55 116.01 2kuf n ASP 573 Ca -0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2kuf n ASP 573 Cb 0.22 1.10 0.02 0.00 -0.72 0.00 0.00 41.12 41.74 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kuf h ALA 574 N 1.05 0.44 -0.15 -1.67 0.00 -0.39 -0.32 119.26 118.22 2kuf h ALA 574 Ca -0.43 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kuf h ALA 574 Cb 1.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 2kuf h ALA 574 CO 0.02 -0.27 0.04 0.93 0.00 0.00 0.00 179.25 179.98 2kuf h GLU 575 N 0.28 0.24 -0.93 0.00 5.08 -1.73 -1.67 114.58 115.84 2kuf h GLU 575 Ca 0.18 -0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 2kuf h GLU 575 Cb 0.16 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 2kuf h GLU 575 CO -0.19 0.37 0.60 -1.35 -1.00 0.00 0.00 179.01 177.44 2kuf h PRO 576 N 0.06 0.61 -0.59 2.33 0.11 -1.72 -1.30 132.00 131.49 2kuf h PRO 576 Ca 0.05 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.14 2kuf h PRO 576 Cb 0.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 2kuf h PRO 576 CO -0.00 0.40 0.38 0.00 -0.21 0.00 0.00 178.00 178.57 2kuf h ARG 577 N 0.62 0.74 -0.05 1.05 2.47 -0.64 -0.73 114.38 117.85 2kuf h ARG 577 Ca 0.49 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 2kuf h ARG 577 Cb 0.91 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2kuf h ARG 577 CO -0.24 0.49 0.03 1.25 0.56 0.00 0.00 179.97 182.05 2kuf h LEU 578 N 0.76 0.04 -0.53 3.04 5.85 -0.31 0.34 115.31 124.50 2kuf h LEU 578 Ca 0.23 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 2kuf h LEU 578 Cb -0.04 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2kuf h LEU 578 CO -0.07 0.03 -0.05 0.08 -0.34 0.00 0.00 178.44 178.09 2kuf h ARG 579 N 0.06 0.97 -0.26 1.25 0.11 -1.37 -1.57 114.38 113.57 2kuf h ARG 579 Ca 0.02 -0.34 -0.16 0.00 0.10 0.00 0.00 59.98 59.60 2kuf h ARG 579 Cb -0.00 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 2kuf h ARG 579 CO -0.01 1.00 -0.49 0.00 0.10 0.00 0.00 179.97 180.57 2kuf h ALA 580 N 0.93 0.65 -0.00 0.08 0.00 -0.66 -3.07 119.26 117.19 2kuf h ALA 580 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kuf h ALA 580 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kuf h ALA 580 CO 0.04 0.68 -0.13 1.47 0.00 0.00 0.00 179.25 181.31 2kuf n LEU 581 N -4.00 0.18 -1.61 0.00 -0.00 0.11 -4.91 117.00 106.77 2kuf n LEU 581 Ca -0.03 0.30 -0.05 0.00 -0.00 0.00 0.00 56.01 56.23 2kuf n LEU 581 Cb 0.58 -0.38 0.02 0.00 -0.00 0.00 0.00 43.42 43.64 2kuf n LEU 581 CO 0.48 0.04 0.04 0.61 -0.00 0.00 0.00 177.39 178.56 2kuf n GLY 582 N 1.45 0.30 3.70 1.47 0.00 -1.10 -5.01 105.19 106.01 2kuf n GLY 582 Ca 0.08 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -3.10 3.51 -0.44 1.61 -0.00 -0.61 -4.95 118.94 114.95 2kuf s TRP 583 Ca 0.05 1.16 0.23 0.00 -0.00 0.00 0.00 56.10 57.54 2kuf s TRP 583 Cb -0.02 -2.81 0.17 0.00 -0.00 0.00 0.00 33.47 30.80 2kuf s TRP 583 CO 0.21 -0.00 1.19 1.15 -0.00 0.00 0.00 176.95 179.50 2kuf h THR 584 N 4.90 0.00 -3.94 5.86 2.02 -1.80 -3.46 112.91 116.48 2kuf h THR 584 Ca -0.38 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 2kuf h THR 584 Cb 1.18 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2kuf h THR 584 CO 0.77 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.27 2kuf n GLY 585 N 1.26 1.44 3.50 2.16 0.00 -0.59 -5.02 105.19 107.93 2kuf n GLY 585 Ca 0.02 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2kuf n GLY 585 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kuf s MET 586 N -2.45 1.78 -0.10 1.61 -1.94 -1.26 -4.99 119.30 111.94 2kuf s MET 586 Ca 0.07 -1.49 -0.29 0.00 -1.71 0.00 0.00 55.69 52.27 2kuf s MET 586 Cb -0.00 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.87 2kuf s MET 586 CO 0.04 0.39 0.99 -0.51 -0.01 0.00 0.00 175.02 175.93 2kuf s LEU 587 N -2.96 4.25 -0.24 -0.03 1.43 -1.26 -4.49 118.68 115.38 2kuf s LEU 587 Ca 0.25 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 2kuf s LEU 587 Cb -0.07 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2kuf s LEU 587 CO 0.13 -0.43 -0.00 -1.81 0.23 0.00 0.00 176.35 174.46 2kuf s ASP 588 N 1.09 4.58 -0.13 2.29 1.01 -1.18 -5.08 116.67 119.25 2kuf s ASP 588 Ca 0.48 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 2kuf s ASP 588 Cb -0.18 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 2kuf s ASP 588 CO 0.18 -0.08 -0.01 -1.59 0.21 0.00 0.00 175.17 173.89 2kuf s LYS 589 N 1.48 3.46 -0.00 8.23 0.00 -1.26 -1.60 119.74 130.05 2kuf s LYS 589 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 55.97 55.57 2kuf s LYS 589 Cb -0.15 -2.92 -0.00 0.00 0.00 0.00 0.00 37.83 34.76 2kuf s LYS 589 CO -0.01 0.43 0.07 0.78 0.00 0.00 0.00 175.35 176.61 2kuf h GLY 590 N 6.10 -0.00 -5.02 0.59 0.00 -0.77 -3.47 103.07 100.50 2kuf h GLY 590 Ca -0.40 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 2kuf h GLY 590 CO 0.61 -0.00 -0.70 0.00 0.00 0.00 0.00 176.54 176.45 2kuf s ALA 591 N -3.00 0.10 -0.23 3.60 0.00 -1.26 -5.04 121.76 115.94 2kuf s ALA 591 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 2kuf s ALA 591 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2kuf s ALA 591 CO 0.00 -0.15 0.31 0.16 0.00 0.00 0.00 175.76 176.08 2kuf s ASP 592 N -1.35 6.29 -0.25 0.00 -4.77 -1.25 -1.67 116.67 113.67 2kuf s ASP 592 Ca -0.15 0.33 -0.08 0.00 -3.30 0.00 0.00 52.55 49.35 2kuf s ASP 592 Cb -0.09 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.53 2kuf s ASP 592 CO -0.01 -0.05 0.08 -0.69 0.70 0.00 0.00 175.17 175.20 2kuf s VAL 593 N 1.38 4.37 -0.47 2.11 1.01 0.50 -4.80 120.40 124.50 2kuf s VAL 593 Ca 0.14 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 2kuf s VAL 593 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2kuf s VAL 593 CO 0.07 0.33 1.54 -0.62 0.00 0.00 0.00 175.10 176.42 2kuf s ASP 594 N 1.62 6.05 -0.16 3.32 2.15 -1.26 -0.71 116.67 127.68 2kuf s ASP 594 Ca 0.06 0.66 0.01 0.00 0.43 0.00 0.00 52.55 53.72 2kuf s ASP 594 Cb -0.15 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.83 2kuf s ASP 594 CO 0.04 -1.70 -0.14 0.00 -0.17 0.00 0.00 175.17 173.21 2kuf n ALA 595 N 9.83 1.66 0.00 3.66 0.00 -1.26 -4.98 120.51 129.42 2kuf n ALA 595 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2kuf n ALA 595 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2kuf n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 596 N 2.73 3.03 0.34 0.00 0.00 -1.26 -4.66 105.19 105.37 2kuf n GLY 596 Ca -0.28 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.07 2kuf n GLY 596 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kuf h GLY 597 N 0.00 0.41 2.00 -0.02 0.00 -1.98 -1.46 103.07 102.02 2kuf h GLY 597 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2kuf h GLY 597 CO 0.00 0.08 -0.24 1.48 0.00 0.00 0.00 176.54 177.87 2kuf h SER 598 N 0.31 0.00 0.43 0.19 4.64 -2.06 -2.35 113.55 114.71 2kuf h SER 598 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2kuf h SER 598 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2kuf h SER 598 CO -0.05 0.24 -0.99 0.00 -0.87 0.00 0.00 176.83 175.16 2kuf n GLN 599 N -3.52 0.26 -2.36 4.77 1.13 -0.58 -5.05 117.38 112.04 2kuf n GLN 599 Ca -0.01 -0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2kuf n GLN 599 Cb 0.39 -1.59 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kuf n HIS 600 N -1.92 -4.06 -1.84 1.08 8.25 -0.89 -4.74 115.22 111.09 2kuf n HIS 600 Ca 0.02 2.41 -0.38 0.00 -0.26 0.00 0.00 57.72 59.51 2kuf n HIS 600 Cb 0.43 -3.41 -0.04 0.00 1.12 0.00 0.00 29.99 28.08 2kuf n HIS 600 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kuf n ASN 601 N 1.88 3.40 -4.86 0.41 3.02 -1.26 -4.91 115.26 112.94 2kuf n ASN 601 Ca -0.05 -2.76 -0.25 0.00 -0.03 0.00 0.00 54.58 51.49 2kuf n ASN 601 Cb 0.07 -1.54 0.08 0.00 -0.61 0.00 0.00 39.78 37.78 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kuf s ARG 602 N 5.10 2.08 0.14 3.52 1.70 -1.26 -4.24 118.95 125.99 2kuf s ARG 602 Ca 0.59 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 55.13 2kuf s ARG 602 Cb 0.07 -2.20 -0.09 0.00 -0.57 0.00 0.00 34.95 32.16 2kuf s ARG 602 CO 0.09 -1.28 1.51 0.08 -1.08 0.00 0.00 175.30 174.62 2kuf s VAL 603 N -3.23 2.87 -0.16 4.99 1.01 0.10 -0.49 120.40 125.49 2kuf s VAL 603 Ca 0.61 0.61 0.12 0.00 0.00 0.00 0.00 61.98 63.33 2kuf s VAL 603 Cb -0.10 -3.39 -0.23 0.00 0.00 0.00 0.00 36.38 32.66 2kuf s VAL 603 CO 0.45 0.04 0.20 0.55 0.00 0.00 0.00 175.10 176.34 2kuf n VAL 604 N 4.00 1.50 -3.72 2.92 3.14 -0.18 -3.56 118.33 122.43 2kuf n VAL 604 Ca 0.13 -0.78 -0.12 0.00 -2.96 0.00 0.00 64.34 60.61 2kuf n VAL 604 Cb 0.40 -0.86 -0.10 0.00 -1.06 0.00 0.00 33.84 32.21 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2kuf s TYR 605 N -2.53 -0.52 -0.17 1.45 5.04 -0.92 -4.97 117.35 114.74 2kuf s TYR 605 Ca -0.13 1.18 -0.05 0.00 -2.44 0.00 0.00 57.07 55.62 2kuf s TYR 605 Cb 0.07 0.21 -0.03 0.00 0.35 0.00 0.00 41.96 42.55 2kuf s TYR 605 CO 0.79 -0.28 0.01 1.14 -1.34 0.00 0.00 175.55 175.87 2kuf s GLN 606 N 0.81 3.80 0.11 4.97 -2.07 -1.26 -1.02 119.66 125.00 2kuf s GLN 606 Ca -0.05 -0.43 -0.29 0.00 -1.82 0.00 0.00 55.36 52.77 2kuf s GLN 606 Cb -0.06 -3.05 -0.10 0.00 -1.09 0.00 0.00 33.01 28.71 2kuf s GLN 606 CO -0.06 0.27 1.62 -0.97 -1.32 0.00 0.00 175.29 174.83 2kuf h ASN 607 N 6.66 -0.87 -3.35 12.60 -0.73 -1.70 -3.40 115.58 124.79 2kuf h ASN 607 Ca -0.34 0.09 -0.56 0.00 1.87 0.00 0.00 56.30 57.36 2kuf h ASN 607 Cb 1.18 0.32 -0.06 0.00 0.27 0.00 0.00 38.32 40.03 2kuf h ASN 607 CO 0.66 -0.42 0.04 -2.16 -0.37 0.00 0.00 177.43 175.19 2kuf s PRO 608 N -6.02 4.40 0.86 6.67 0.05 -1.26 -5.06 135.00 134.63 2kuf s PRO 608 Ca -0.16 0.80 -0.10 0.00 0.05 0.00 0.00 61.00 61.59 2kuf s PRO 608 Cb 0.07 -3.41 0.11 0.00 0.05 0.00 0.00 34.50 31.32 2kuf s PRO 608 CO 0.64 0.18 1.12 -2.14 0.05 0.00 0.00 177.00 176.85 2kuf s PRO 609 N 0.43 1.54 0.32 0.56 0.02 -1.26 -4.94 135.00 131.67 2kuf s PRO 609 Ca 0.34 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 2kuf s PRO 609 Cb -0.18 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 2kuf s PRO 609 CO 0.17 -2.20 1.39 0.00 -0.33 0.00 0.00 177.00 176.03 2kuf s ALA 610 N -2.77 3.56 0.00 -1.55 0.00 -1.26 -2.18 121.76 117.56 2kuf s ALA 610 Ca 0.64 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2kuf s ALA 610 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kuf s ALA 610 CO 0.57 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2kuf n GLY 611 N 1.14 0.71 3.85 0.00 0.00 0.31 -4.98 105.19 106.22 2kuf n GLY 611 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 612 N -2.78 4.87 -0.17 2.61 2.01 -0.92 -4.73 115.64 116.53 2kuf s THR 612 Ca 0.00 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.48 2kuf s THR 612 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2kuf s THR 612 CO 0.00 0.16 0.87 -0.83 -0.69 0.00 0.00 174.62 174.13 2kuf s GLY 613 N -1.89 2.07 -0.02 4.40 0.00 -1.26 -0.31 107.32 110.30 2kuf s GLY 613 Ca 0.40 0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.22 2kuf s GLY 613 CO 0.20 1.75 -0.08 -1.34 0.00 0.00 0.00 173.10 173.63 2kuf s VAL 614 N 2.29 3.55 1.00 1.40 -7.23 0.26 -4.81 120.40 116.85 2kuf s VAL 614 Ca 0.40 -0.71 -0.18 0.00 -1.81 0.00 0.00 61.98 59.69 2kuf s VAL 614 Cb -0.16 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2kuf s VAL 614 CO 0.12 0.47 -0.39 -0.46 -0.31 0.00 0.00 175.10 174.53 2kuf n ASN 615 N 1.84 -3.67 0.22 4.85 0.23 -1.26 -0.23 115.26 117.24 2kuf n ASN 615 Ca -0.16 0.15 0.17 0.00 -0.53 0.00 0.00 54.58 54.21 2kuf n ASN 615 Cb 0.53 -0.90 0.85 0.00 -2.08 0.00 0.00 39.78 38.17 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2kuf h ARG 616 N -1.36 0.00 0.00 -3.83 0.11 -0.78 0.28 114.38 108.80 2kuf h ARG 616 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2kuf h ARG 616 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2kuf h ARG 616 CO 0.29 0.00 -0.02 -0.25 0.10 0.00 0.00 179.97 180.09 2kuf n ASP 617 N -3.77 0.18 -0.15 0.08 9.92 -1.26 -4.57 116.55 116.98 2kuf n ASP 617 Ca 0.01 0.49 -0.02 0.00 -0.53 0.00 0.00 54.79 54.74 2kuf n ASP 617 Cb 0.29 -0.53 -0.01 0.00 -0.64 0.00 0.00 41.12 40.23 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kuf n GLY 618 N 1.46 0.35 3.65 0.44 0.00 1.00 -1.53 105.19 110.56 2kuf n GLY 618 Ca 0.07 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -1.51 3.89 -0.05 -0.61 -1.16 -1.26 -4.89 121.20 115.60 2kuf s ILE 619 Ca 0.00 1.06 0.04 0.00 -0.51 0.00 0.00 60.65 61.24 2kuf s ILE 619 Cb 0.00 -3.74 -0.00 0.00 0.61 0.00 0.00 42.46 39.33 2kuf s ILE 619 CO 0.00 -0.16 -0.18 0.27 -2.81 0.00 0.00 174.94 172.06 2kuf s ILE 620 N 4.08 1.54 -0.19 2.00 -5.25 -1.26 -4.91 121.20 117.22 2kuf s ILE 620 Ca 0.65 -0.76 -0.11 0.00 -0.99 0.00 0.00 60.65 59.44 2kuf s ILE 620 Cb -0.27 -1.33 -0.05 0.00 2.95 0.00 0.00 42.46 43.77 2kuf s ILE 620 CO 0.24 0.44 0.17 -0.89 -1.79 0.00 0.00 174.94 173.11 2kuf s THR 621 N 0.14 5.39 0.11 8.37 2.01 -1.26 -3.11 115.64 127.28 2kuf s THR 621 Ca -0.07 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 2kuf s THR 621 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2kuf s THR 621 CO 0.03 0.44 0.00 -1.48 -0.69 0.00 0.00 174.62 172.92 2kuf s LEU 622 N 0.32 2.15 -0.03 4.42 2.34 -0.63 -1.65 118.68 125.60 2kuf s LEU 622 Ca 0.11 -1.11 0.04 0.00 0.06 0.00 0.00 54.13 53.23 2kuf s LEU 622 Cb -0.12 0.16 -0.00 0.00 -0.56 0.00 0.00 46.19 45.67 2kuf s LEU 622 CO -0.00 -0.63 -0.15 0.00 -1.06 0.00 0.00 176.35 174.51 2kuf s ARG 623 N -3.96 1.42 0.17 1.48 1.70 -0.19 0.03 118.95 119.60 2kuf s ARG 623 Ca 0.17 -0.52 -0.03 0.00 -0.47 0.00 0.00 55.73 54.88 2kuf s ARG 623 Cb 0.07 -1.29 -0.03 0.00 -0.57 0.00 0.00 34.95 33.13 2kuf s ARG 623 CO -0.03 0.24 0.15 -0.59 -1.08 0.00 0.00 175.30 174.00 2kuf s PHE 624 N -0.06 0.88 0.06 5.89 -0.71 -0.67 -1.01 117.98 122.36 2kuf s PHE 624 Ca -0.00 -1.19 -0.01 0.00 -1.04 0.00 0.00 56.93 54.69 2kuf s PHE 624 Cb -0.09 -0.40 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2kuf s PHE 624 CO 0.01 -0.63 0.04 0.41 -1.34 0.00 0.00 175.22 173.71 2kuf n GLY 625 N -0.20 -3.15 0.00 1.99 0.00 0.36 -0.37 105.19 103.82 2kuf n GLY 625 Ca -0.02 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.81 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14