#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 4.61 0.00 1.61 0.02 -1.26 -3.89 135.00 136.09 2kuf s PRO 492 Ca 0.00 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.63 2kuf s PRO 492 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2kuf s PRO 492 CO 0.00 0.24 0.00 0.00 -0.33 0.00 0.00 177.00 176.91 2kuf n ALA 493 N 0.96 0.00 -3.19 -1.55 0.00 -1.26 -4.90 120.51 110.57 2kuf n ALA 493 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2kuf n ALA 493 Cb 0.47 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.16 0.05 -0.03 0.00 -4.23 -1.25 -0.31 115.64 108.70 2kuf s THR 494 Ca 0.00 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2kuf s THR 494 Cb 0.00 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.33 2kuf s THR 494 CO 0.00 -0.22 0.13 -0.54 -0.54 0.00 0.00 174.62 173.45 2kuf s LYS 495 N -0.95 0.27 0.03 3.99 1.02 0.61 -4.30 119.74 120.41 2kuf s LYS 495 Ca -0.10 -0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 2kuf s LYS 495 Cb -0.05 0.12 -0.06 0.00 -0.52 0.00 0.00 37.83 37.32 2kuf s LYS 495 CO 0.03 -0.05 0.50 0.16 -0.92 0.00 0.00 175.35 175.06 2kuf s ASP 496 N -0.47 6.94 -0.16 2.83 -4.77 -1.26 -0.28 116.67 119.50 2kuf s ASP 496 Ca -0.06 1.11 -0.12 0.00 -3.30 0.00 0.00 52.55 50.19 2kuf s ASP 496 Cb -0.04 -2.31 -0.05 0.00 -1.09 0.00 0.00 42.92 39.44 2kuf s ASP 496 CO 0.01 0.28 0.23 0.27 0.70 0.00 0.00 175.17 176.66 2kuf s ILE 497 N -1.01 5.35 0.84 2.11 -4.36 -0.72 -4.89 121.20 118.52 2kuf s ILE 497 Ca 0.27 0.41 -0.10 0.00 -0.26 0.00 0.00 60.65 60.97 2kuf s ILE 497 Cb -0.18 -3.56 0.15 0.00 1.25 0.00 0.00 42.46 40.12 2kuf s ILE 497 CO 0.16 0.45 1.17 -2.16 0.24 0.00 0.00 174.94 174.81 2kuf s PRO 498 N 0.11 1.29 -0.12 0.37 0.04 -1.26 0.17 135.00 135.61 2kuf s PRO 498 Ca 0.14 -0.52 -0.23 0.00 0.04 0.00 0.00 61.00 60.43 2kuf s PRO 498 Cb -0.12 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2kuf s PRO 498 CO 0.03 -1.90 0.72 0.16 0.04 0.00 0.00 177.00 176.05 2kuf s ASP 499 N -4.76 6.92 -0.71 6.66 -4.77 -1.26 -4.76 116.67 113.99 2kuf s ASP 499 Ca 0.69 1.11 0.03 0.00 -3.30 0.00 0.00 52.55 51.08 2kuf s ASP 499 Cb -0.06 -2.41 0.34 0.00 -1.09 0.00 0.00 42.92 39.70 2kuf s ASP 499 CO 0.49 -0.22 1.23 1.33 0.70 0.00 0.00 175.17 178.70 2kuf n VAL 500 N 4.20 3.94 -3.81 2.11 0.24 -1.26 -4.95 118.33 118.80 2kuf n VAL 500 Ca 0.00 -5.65 -0.36 0.00 -2.04 0.00 0.00 64.34 56.29 2kuf n VAL 500 Cb 0.50 -1.43 -0.12 0.00 -1.47 0.00 0.00 33.84 31.32 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 -3.74 3.02 0.00 2.33 0.00 -1.25 -1.99 121.76 120.13 2kuf s ALA 501 Ca 0.46 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2kuf s ALA 501 Cb 0.26 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2kuf s ALA 501 CO -0.15 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.51 2kuf n GLY 502 N 4.67 0.77 2.04 0.00 0.00 -0.45 -4.93 105.19 107.29 2kuf n GLY 502 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2kuf n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kuf n GLN 503 N 0.00 1.13 -2.00 1.61 0.00 -1.26 -4.94 117.38 111.92 2kuf n GLN 503 Ca 0.00 -1.91 -0.32 0.00 0.00 0.00 0.00 57.00 54.76 2kuf n GLN 503 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 30.24 30.55 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 -1.62 3.88 0.18 -0.39 2.01 -1.26 -1.85 115.64 116.59 2kuf s THR 504 Ca 0.12 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 62.86 2kuf s THR 504 Cb -0.01 -3.40 0.10 0.00 0.01 0.00 0.00 72.50 69.20 2kuf s THR 504 CO 0.08 -0.57 1.76 1.62 -0.69 0.00 0.00 174.62 176.82 2kuf h VAL 505 N 0.30 1.23 -0.30 3.82 3.04 -1.33 0.15 116.25 123.16 2kuf h VAL 505 Ca -0.46 -0.69 -0.07 0.00 -1.01 0.00 0.00 66.70 64.47 2kuf h VAL 505 Cb 1.22 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.95 2kuf h VAL 505 CO 0.58 0.28 -0.10 -2.24 -1.01 0.00 0.00 177.57 175.07 2kuf h ASP 506 N 0.91 0.48 -0.14 3.17 2.03 -1.92 0.63 116.42 121.57 2kuf h ASP 506 Ca 0.22 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 56.29 2kuf h ASP 506 Cb 0.16 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2kuf h ASP 506 CO -0.02 0.62 -0.35 0.58 -1.03 0.00 0.00 179.24 179.04 2kuf h VAL 507 N 0.46 1.36 -0.66 4.15 2.07 -1.79 -0.81 116.25 121.03 2kuf h VAL 507 Ca 0.09 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.01 2kuf h VAL 507 Cb 0.46 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2kuf h VAL 507 CO 0.03 0.49 0.41 0.00 0.02 0.00 0.00 177.57 178.51 2kuf h ALA 508 N 0.54 0.87 -0.48 1.67 0.00 -0.15 0.34 119.26 122.04 2kuf h ALA 508 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kuf h ALA 508 Cb 0.96 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kuf h ALA 508 CO 0.08 0.17 0.21 1.96 0.00 0.00 0.00 179.25 181.67 2kuf h GLN 509 N 0.80 0.70 -0.47 0.00 4.20 -0.80 -0.50 115.11 119.05 2kuf h GLN 509 Ca 0.27 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2kuf h GLN 509 Cb 0.03 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2kuf h GLN 509 CO -0.11 0.61 0.03 0.87 -0.67 0.00 0.00 178.83 179.56 2kuf h LYS 510 N 0.63 0.81 -0.23 1.46 1.79 -0.61 -2.02 116.57 118.40 2kuf h LYS 510 Ca 0.16 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 2kuf h LYS 510 Cb 0.15 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2kuf h LYS 510 CO -0.02 0.85 0.10 -0.91 -1.08 0.00 0.00 179.45 178.39 2kuf h ASN 511 N 0.67 0.31 -0.06 0.86 2.35 -0.01 -1.77 115.58 117.94 2kuf h ASN 511 Ca 0.14 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2kuf h ASN 511 Cb 0.47 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2kuf h ASN 511 CO 0.02 0.37 -0.32 0.17 -1.65 0.00 0.00 177.43 176.02 2kuf h LEU 512 N 0.23 0.55 -1.27 1.61 8.10 -1.07 -2.37 115.31 121.08 2kuf h LEU 512 Ca 0.08 -0.21 -0.05 0.00 0.11 0.00 0.00 57.88 57.81 2kuf h LEU 512 Cb 0.15 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2kuf h LEU 512 CO -0.01 0.84 -0.02 -1.13 -4.11 0.00 0.00 178.44 174.02 2kuf h ASN 513 N 0.45 0.44 -0.46 0.17 -0.73 -1.07 0.01 115.58 114.39 2kuf h ASN 513 Ca 0.05 -0.08 0.08 0.00 1.87 0.00 0.00 56.30 58.22 2kuf h ASN 513 Cb 0.79 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 2kuf h ASN 513 CO 0.06 0.52 0.31 0.58 -0.37 0.00 0.00 177.43 178.54 2kuf h VAL 514 N 0.45 0.92 -0.23 2.57 2.07 -0.77 0.44 116.25 121.71 2kuf h VAL 514 Ca 0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kuf h VAL 514 Cb 0.32 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2kuf h VAL 514 CO 0.01 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.44 2kuf n TYR 515 N -4.47 0.29 0.08 1.57 4.01 -0.81 -4.76 117.16 113.08 2kuf n TYR 515 Ca 0.07 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2kuf n TYR 515 Cb 0.32 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.83 -0.14 2.38 2.72 0.00 -0.07 -4.98 105.19 105.92 2kuf n GLY 516 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.48 -0.39 -1.52 1.61 3.72 0.14 -4.99 117.46 112.55 2kuf n PHE 517 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2kuf n PHE 517 Cb 0.00 -3.04 0.05 0.00 -0.94 0.00 0.00 39.48 35.56 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.29 0.00 -4.46 4.37 -2.24 -1.26 -4.99 114.28 102.40 2kuf n THR 518 Ca -0.18 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 2kuf n THR 518 Cb 0.59 -1.71 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -3.70 3.15 0.04 -0.78 3.01 -1.16 -4.98 119.74 115.31 2kuf s LYS 519 Ca 0.22 -0.49 0.04 0.00 -1.01 0.00 0.00 55.97 54.73 2kuf s LYS 519 Cb -0.01 -2.77 -0.02 0.00 -1.01 0.00 0.00 37.83 34.02 2kuf s LYS 519 CO 0.15 0.53 -0.12 -0.59 0.51 0.00 0.00 175.35 175.84 2kuf s PHE 520 N -0.43 1.01 0.02 3.18 -0.12 -1.26 -0.19 117.98 120.19 2kuf s PHE 520 Ca 0.07 -0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2kuf s PHE 520 Cb -0.12 -0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2kuf s PHE 520 CO 0.02 0.01 -0.00 -1.12 -0.05 0.00 0.00 175.22 174.08 2kuf s SER 521 N -1.29 0.19 -0.02 1.98 0.01 -0.04 -4.88 113.70 109.65 2kuf s SER 521 Ca -0.02 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 56.89 2kuf s SER 521 Cb -0.08 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2kuf s SER 521 CO 0.01 -0.29 -0.22 0.00 0.41 0.00 0.00 173.24 173.15 2kuf s GLN 522 N -1.34 2.21 -0.05 12.44 -2.07 -1.26 -0.34 119.66 129.26 2kuf s GLN 522 Ca -0.15 -0.87 0.02 0.00 -1.82 0.00 0.00 55.36 52.54 2kuf s GLN 522 Cb -0.09 -2.15 0.02 0.00 -1.09 0.00 0.00 33.01 29.69 2kuf s GLN 522 CO -0.01 0.58 -0.08 0.00 -1.32 0.00 0.00 175.29 174.47 2kuf s ALA 523 N -0.68 0.89 -0.14 2.60 0.00 0.15 -4.93 121.76 119.65 2kuf s ALA 523 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 2kuf s ALA 523 Cb -0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2kuf s ALA 523 CO 0.00 0.05 0.63 -1.12 0.00 0.00 0.00 175.76 175.33 2kuf s SER 524 N 0.74 6.79 0.13 0.00 0.01 -1.26 -0.07 113.70 120.04 2kuf s SER 524 Ca -0.12 0.96 0.10 0.00 1.31 0.00 0.00 55.95 58.20 2kuf s SER 524 Cb -0.14 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2kuf s SER 524 CO 0.02 -0.18 -0.24 0.54 0.41 0.00 0.00 173.24 173.78 2kuf s VAL 525 N 1.33 2.08 0.24 3.43 0.11 0.73 -4.91 120.40 123.40 2kuf s VAL 525 Ca 0.31 -1.73 -0.30 0.00 -2.93 0.00 0.00 61.98 57.33 2kuf s VAL 525 Cb -0.16 -1.87 -0.10 0.00 -1.53 0.00 0.00 36.38 32.72 2kuf s VAL 525 CO 0.13 0.00 1.39 -0.62 -3.33 0.00 0.00 175.10 172.67 2kuf s ASP 526 N -2.10 6.74 0.20 3.54 -1.08 -1.26 -0.46 116.67 122.25 2kuf s ASP 526 Ca 0.12 2.57 -0.16 0.00 -0.52 0.00 0.00 52.55 54.57 2kuf s ASP 526 Cb -0.10 -2.62 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2kuf s ASP 526 CO 0.06 -0.63 0.49 -0.44 0.52 0.00 0.00 175.17 175.17 2kuf s SER 527 N 0.31 -0.19 0.30 -0.34 0.01 0.46 -4.79 113.70 109.47 2kuf s SER 527 Ca 0.58 -0.62 0.24 0.00 1.31 0.00 0.00 55.95 57.46 2kuf s SER 527 Cb -0.40 0.57 0.34 0.00 0.21 0.00 0.00 66.02 66.74 2kuf s SER 527 CO 0.42 -1.06 1.47 1.55 0.41 0.00 0.00 173.24 176.02 2kuf h PRO 528 N 2.24 0.00 -6.93 12.44 0.13 -1.78 -3.33 132.00 134.77 2kuf h PRO 528 Ca -0.28 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.38 2kuf h PRO 528 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kuf h PRO 528 CO 0.38 0.00 0.36 1.03 -0.23 0.00 0.00 178.00 179.53 2kuf s ARG 529 N -3.22 4.45 0.54 0.86 0.52 -1.26 -4.74 118.95 116.08 2kuf s ARG 529 Ca 0.06 1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 56.37 2kuf s ARG 529 Cb 0.08 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 2kuf s ARG 529 CO 0.69 0.15 1.34 -1.25 0.02 0.00 0.00 175.30 176.25 2kuf s PRO 530 N -2.35 3.21 -0.37 3.54 0.04 -1.26 -2.03 135.00 135.78 2kuf s PRO 530 Ca 0.54 2.20 -0.27 0.00 0.04 0.00 0.00 61.00 63.50 2kuf s PRO 530 Cb -0.17 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2kuf s PRO 530 CO 0.22 -1.12 2.21 0.00 0.04 0.00 0.00 177.00 178.35 2kuf s ALA 531 N -1.32 2.27 0.00 8.56 0.00 -1.12 -1.91 121.76 128.23 2kuf s ALA 531 Ca 0.71 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2kuf s ALA 531 Cb -0.39 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2kuf s ALA 531 CO 0.47 -3.52 0.00 0.41 0.00 0.00 0.00 175.76 173.12 2kuf n GLY 532 N 5.81 1.19 3.74 0.00 0.00 -1.15 -4.95 105.19 109.82 2kuf n GLY 532 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 4.74 -0.23 1.61 2.12 -0.80 -0.92 118.70 125.22 2kuf s GLU 533 Ca 0.00 1.44 -0.12 0.00 0.36 0.00 0.00 54.97 56.65 2kuf s GLU 533 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2kuf s GLU 533 CO 0.00 0.32 0.24 0.54 -0.54 0.00 0.00 175.26 175.82 2kuf s VAL 534 N -0.41 5.31 -2.08 3.70 0.11 -0.77 -0.16 120.40 126.10 2kuf s VAL 534 Ca 0.44 0.34 0.18 0.00 -2.93 0.00 0.00 61.98 60.01 2kuf s VAL 534 Cb -0.24 -3.57 0.47 0.00 -1.53 0.00 0.00 36.38 31.51 2kuf s VAL 534 CO 0.30 0.31 1.41 0.35 -3.33 0.00 0.00 175.10 174.14 2kuf n THR 535 N 4.35 0.65 0.00 5.04 -2.24 -0.42 -1.34 114.28 120.33 2kuf n THR 535 Ca -0.13 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2kuf n THR 535 Cb 0.52 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.35 0.65 3.54 3.38 0.00 -0.84 -4.53 105.19 108.74 2kuf n GLY 536 Ca 0.18 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.03 2.92 0.07 2.61 -4.23 -1.26 -0.20 115.64 114.51 2kuf s THR 537 Ca 0.00 -2.11 -0.34 0.00 -1.18 0.00 0.00 61.69 58.07 2kuf s THR 537 Cb 0.00 -2.53 -0.19 0.00 1.34 0.00 0.00 72.50 71.12 2kuf s THR 537 CO 0.00 -0.34 1.62 -1.13 -0.54 0.00 0.00 174.62 174.23 2kuf h ASN 538 N 2.26 -0.83 -3.97 3.99 -0.73 -1.69 -3.42 115.58 111.19 2kuf h ASN 538 Ca -0.43 0.03 -0.51 0.00 1.87 0.00 0.00 56.30 57.26 2kuf h ASN 538 Cb 1.25 0.22 0.07 0.00 0.27 0.00 0.00 38.32 40.12 2kuf h ASN 538 CO 0.59 -0.59 0.52 -2.16 -0.37 0.00 0.00 177.43 175.42 2kuf s PRO 539 N -6.05 3.89 0.75 6.67 0.04 -1.26 -5.01 135.00 134.03 2kuf s PRO 539 Ca -0.18 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2kuf s PRO 539 Cb 0.03 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 32.04 2kuf s PRO 539 CO 0.62 -0.48 1.12 -1.25 0.04 0.00 0.00 177.00 177.05 2kuf s PRO 540 N -2.45 2.26 0.20 0.56 0.04 -1.26 -4.95 135.00 129.40 2kuf s PRO 540 Ca 0.60 1.36 -0.32 0.00 0.04 0.00 0.00 61.00 62.69 2kuf s PRO 540 Cb -0.32 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2kuf s PRO 540 CO 0.40 -1.66 1.63 0.00 0.04 0.00 0.00 177.00 177.40 2kuf s ALA 541 N -2.57 3.84 0.00 8.56 0.00 -1.26 -2.20 121.76 128.12 2kuf s ALA 541 Ca 0.65 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2kuf s ALA 541 Cb -0.20 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2kuf s ALA 541 CO 0.50 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2kuf n GLY 542 N 3.62 1.22 3.69 0.00 0.00 0.13 -4.98 105.19 108.88 2kuf n GLY 542 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.18 4.06 -0.14 2.61 2.01 -0.94 -4.70 115.64 116.36 2kuf s THR 543 Ca 0.00 1.42 -0.28 0.00 0.31 0.00 0.00 61.69 63.13 2kuf s THR 543 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2kuf s THR 543 CO 0.00 0.01 0.95 0.28 -0.69 0.00 0.00 174.62 175.17 2kuf s THR 544 N 2.15 4.80 0.23 -0.82 -1.32 -1.26 -1.75 115.64 117.67 2kuf s THR 544 Ca 0.59 1.91 0.09 0.00 -1.21 0.00 0.00 61.69 63.07 2kuf s THR 544 Cb -0.27 -4.26 -0.05 0.00 -1.51 0.00 0.00 72.50 66.41 2kuf s THR 544 CO 0.24 -0.01 -0.17 0.68 -2.21 0.00 0.00 174.62 173.15 2kuf s VAL 545 N 2.17 2.02 0.29 5.08 -7.23 0.61 -4.90 120.40 118.43 2kuf s VAL 545 Ca 0.45 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.08 2kuf s VAL 545 Cb -0.17 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 2kuf s VAL 545 CO 0.15 -0.48 1.35 -2.84 -0.31 0.00 0.00 175.10 172.97 2kuf s PRO 546 N -3.47 4.33 0.57 4.82 0.02 -1.26 -0.28 135.00 139.72 2kuf s PRO 546 Ca 0.24 2.23 0.32 0.00 0.02 0.00 0.00 61.00 63.81 2kuf s PRO 546 Cb -0.03 -3.10 1.72 0.00 0.02 0.00 0.00 34.50 33.11 2kuf s PRO 546 CO 0.10 -0.27 2.17 -0.24 -0.33 0.00 0.00 177.00 178.42 2kuf h VAL 547 N 3.29 0.40 -0.24 3.83 3.04 -0.96 -1.50 116.25 124.12 2kuf h VAL 547 Ca -0.47 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2kuf h VAL 547 Cb 1.22 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2kuf h VAL 547 CO 0.71 0.06 0.00 -0.67 -1.01 0.00 0.00 177.57 176.66 2kuf n ASP 548 N -3.54 3.15 -4.42 3.17 2.03 -1.26 -4.27 116.55 111.41 2kuf n ASP 548 Ca -0.02 -1.94 -0.19 0.00 0.52 0.00 0.00 54.79 53.16 2kuf n ASP 548 Cb 0.17 -0.15 0.09 0.00 -0.72 0.00 0.00 41.12 40.51 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kuf n SER 549 N 1.32 1.51 -4.75 1.67 2.88 -0.56 -4.79 113.62 110.89 2kuf n SER 549 Ca 0.16 -2.17 -0.36 0.00 -1.33 0.00 0.00 58.87 55.17 2kuf n SER 549 Cb 0.56 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.46 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuf s VAL 550 N -2.49 4.93 -0.20 2.46 0.11 -1.26 -3.01 120.40 120.94 2kuf s VAL 550 Ca 0.57 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 2kuf s VAL 550 Cb -0.04 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 2kuf s VAL 550 CO 0.37 0.57 0.21 -0.63 -3.33 0.00 0.00 175.10 172.29 2kuf s ILE 551 N -0.60 5.35 -0.29 7.04 1.01 0.74 -4.96 121.20 129.48 2kuf s ILE 551 Ca 0.11 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 2kuf s ILE 551 Cb -0.12 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2kuf s ILE 551 CO 0.02 0.38 0.15 -1.83 0.00 0.00 0.00 174.94 173.66 2kuf s GLU 552 N 0.67 3.55 -0.18 2.79 -1.05 -1.26 -0.86 118.70 122.36 2kuf s GLU 552 Ca 0.11 -0.57 -0.08 0.00 -0.15 0.00 0.00 54.97 54.28 2kuf s GLU 552 Cb -0.13 -3.55 -0.04 0.00 -0.44 0.00 0.00 34.13 29.97 2kuf s GLU 552 CO 0.02 -0.32 0.09 -0.51 0.95 0.00 0.00 175.26 175.50 2kuf s LEU 553 N 1.66 4.00 -0.33 1.83 1.02 0.54 -1.65 118.68 125.75 2kuf s LEU 553 Ca 0.06 0.16 -0.18 0.00 0.02 0.00 0.00 54.13 54.19 2kuf s LEU 553 Cb -0.16 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 2kuf s LEU 553 CO 0.07 0.19 0.51 -1.10 0.02 0.00 0.00 176.35 176.04 2kuf s GLN 554 N 0.27 3.70 -0.09 1.70 1.11 0.71 -0.68 119.66 126.39 2kuf s GLN 554 Ca 0.06 -0.08 -0.22 0.00 0.01 0.00 0.00 55.36 55.13 2kuf s GLN 554 Cb -0.12 -3.78 -0.04 0.00 -1.01 0.00 0.00 33.01 28.07 2kuf s GLN 554 CO -0.01 -0.59 0.62 0.08 0.01 0.00 0.00 175.29 175.41 2kuf s VAL 555 N 2.37 5.09 -0.29 1.09 1.01 0.89 -1.30 120.40 129.27 2kuf s VAL 555 Ca 0.19 1.27 -0.26 0.00 0.00 0.00 0.00 61.98 63.19 2kuf s VAL 555 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2kuf s VAL 555 CO 0.13 0.27 0.89 -0.44 0.00 0.00 0.00 175.10 175.95 2kuf s SER 556 N 0.75 6.80 -0.20 3.32 0.01 0.78 -0.19 113.70 124.97 2kuf s SER 556 Ca 0.33 0.89 -0.16 0.00 1.31 0.00 0.00 55.95 58.33 2kuf s SER 556 Cb -0.17 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2kuf s SER 556 CO 0.15 -0.67 0.40 -1.59 0.41 0.00 0.00 173.24 171.94 2kuf s LYS 557 N 3.13 4.19 0.59 12.44 -2.85 0.39 -2.81 119.74 134.82 2kuf s LYS 557 Ca 0.37 0.21 0.34 0.00 -1.00 0.00 0.00 55.97 55.88 2kuf s LYS 557 Cb -0.14 -3.53 1.87 0.00 -2.06 0.00 0.00 37.83 33.98 2kuf s LYS 557 CO 0.12 -0.02 2.23 0.78 0.10 0.00 0.00 175.35 178.56 2kuf h GLY 558 N 7.54 0.00 0.00 0.59 0.00 -1.53 0.13 103.07 109.81 2kuf h GLY 558 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2kuf h GLY 558 CO 0.72 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.25 2kuf n ASN 559 N -3.54 0.00 -4.57 0.19 2.85 -1.25 -4.41 115.26 104.53 2kuf n ASN 559 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.14 2kuf n ASN 559 Cb 0.13 -0.05 -0.10 0.00 1.24 0.00 0.00 39.78 41.00 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 0.00 2.22 0.17 1.20 -0.21 -1.26 -0.12 119.66 121.66 2kuf s GLN 560 Ca 0.00 -0.95 0.09 0.00 0.02 0.00 0.00 55.36 54.52 2kuf s GLN 560 Cb 0.00 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 2kuf s GLN 560 CO 0.00 0.53 -0.20 -0.59 -2.12 0.00 0.00 175.29 172.92 2kuf s PHE 561 N -1.14 1.93 0.02 0.91 -0.71 -0.24 -4.84 117.98 113.91 2kuf s PHE 561 Ca 0.20 -0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2kuf s PHE 561 Cb -0.11 -0.96 -0.06 0.00 -1.21 0.00 0.00 43.02 40.68 2kuf s PHE 561 CO 0.12 0.37 1.32 0.08 -1.34 0.00 0.00 175.22 175.77 2kuf s VAL 562 N -1.94 3.80 -0.09 -2.49 1.01 -1.26 -0.20 120.40 119.23 2kuf s VAL 562 Ca 0.17 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 2kuf s VAL 562 Cb -0.06 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2kuf s VAL 562 CO 0.07 0.03 0.81 -0.32 0.00 0.00 0.00 175.10 175.70 2kuf s MET 563 N 1.88 4.41 0.98 2.72 1.75 0.23 -4.88 119.30 126.39 2kuf s MET 563 Ca 0.62 1.06 -0.12 0.00 -1.25 0.00 0.00 55.69 55.99 2kuf s MET 563 Cb -0.31 -3.50 0.18 0.00 2.84 0.00 0.00 34.83 34.04 2kuf s MET 563 CO 0.27 -0.11 1.10 -2.14 -0.65 0.00 0.00 175.02 173.49 2kuf s PRO 564 N 1.37 0.54 0.34 4.11 0.02 -1.26 -1.09 135.00 139.03 2kuf s PRO 564 Ca 0.41 0.48 -0.27 0.00 0.02 0.00 0.00 61.00 61.63 2kuf s PRO 564 Cb -0.18 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 2kuf s PRO 564 CO 0.18 -2.64 1.13 0.16 -0.33 0.00 0.00 177.00 175.50 2kuf s ASP 565 N -3.56 6.92 0.00 2.53 -4.77 -1.26 -4.71 116.67 111.82 2kuf s ASP 565 Ca 0.65 2.30 0.04 0.00 -3.30 0.00 0.00 52.55 52.24 2kuf s ASP 565 Cb -0.18 -2.62 0.07 0.00 -1.09 0.00 0.00 42.92 39.10 2kuf s ASP 565 CO 0.57 -0.40 0.87 0.00 0.70 0.00 0.00 175.17 176.92 2kuf n LEU 566 N 0.62 -0.29 -4.80 2.11 -0.00 -1.26 -5.13 117.00 108.26 2kuf n LEU 566 Ca 0.02 -1.59 -0.35 0.00 -0.00 0.00 0.00 56.01 54.08 2kuf n LEU 566 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.81 2kuf n LEU 566 CO 0.52 1.06 0.66 -0.44 -0.00 0.00 0.00 177.39 179.19 2kuf s SER 567 N -0.85 7.12 -0.93 1.45 0.01 -1.26 -4.14 113.70 115.10 2kuf s SER 567 Ca 0.05 1.79 -0.02 0.00 1.31 0.00 0.00 55.95 59.09 2kuf s SER 567 Cb 0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2kuf s SER 567 CO -0.03 -0.23 0.79 0.61 0.41 0.00 0.00 173.24 174.80 2kuf n GLY 568 N 0.05 -0.43 3.45 3.44 0.00 -1.12 -4.99 105.19 105.59 2kuf n GLY 568 Ca 0.04 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2kuf n GLY 568 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kuf s MET 569 N -4.74 1.71 0.45 1.61 0.23 -1.26 -4.77 119.30 112.54 2kuf s MET 569 Ca 0.14 -1.99 0.07 0.00 -1.03 0.00 0.00 55.69 52.89 2kuf s MET 569 Cb -0.02 -0.65 -0.01 0.00 -1.53 0.00 0.00 34.83 32.62 2kuf s MET 569 CO 0.60 -0.32 0.37 -0.06 -2.03 0.00 0.00 175.02 173.58 2kuf s PHE 570 N -3.35 2.40 0.35 3.16 0.08 -1.26 0.00 117.98 119.36 2kuf s PHE 570 Ca 0.32 -0.60 0.08 0.00 0.12 0.00 0.00 56.93 56.86 2kuf s PHE 570 Cb 0.06 -2.08 0.66 0.00 -0.57 0.00 0.00 43.02 41.09 2kuf s PHE 570 CO 0.15 -0.19 1.84 2.35 -0.10 0.00 0.00 175.22 179.26 2kuf h TRP 571 N 0.99 0.27 0.00 0.36 2.91 -1.99 -0.69 115.95 117.81 2kuf h TRP 571 Ca -0.40 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2kuf h TRP 571 Cb 1.27 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 2kuf h TRP 571 CO 0.64 0.46 0.00 -0.39 -1.03 0.00 0.00 178.44 178.12 2kuf h VAL 572 N 0.23 0.00 0.00 2.65 -1.51 -2.00 -1.33 116.25 114.29 2kuf h VAL 572 Ca 0.04 -0.27 -0.05 0.00 -1.23 0.00 0.00 66.70 65.18 2kuf h VAL 572 Cb 0.53 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2kuf h VAL 572 CO 0.04 0.00 -2.00 -0.67 -1.23 0.00 0.00 177.57 173.70 2kuf n ASP 573 N -2.31 0.27 -0.13 4.19 2.03 -0.59 -4.41 116.55 115.59 2kuf n ASP 573 Ca 0.02 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.23 2kuf n ASP 573 Cb 0.25 1.79 0.03 0.00 -0.72 0.00 0.00 41.12 42.47 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 1.75 0.73 0.16 -1.67 0.00 -0.01 -1.25 119.26 118.97 2kuf h ALA 574 Ca -0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kuf h ALA 574 Cb 1.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kuf h ALA 574 CO 0.00 0.66 -0.13 1.49 0.00 0.00 0.00 179.25 181.28 2kuf h GLU 575 N 0.80 -0.29 -0.96 0.00 4.22 -1.68 0.13 114.58 116.80 2kuf h GLU 575 Ca 0.10 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.66 2kuf h GLU 575 Cb 0.80 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 2kuf h GLU 575 CO 0.07 -0.19 0.59 -1.35 -2.18 0.00 0.00 179.01 175.95 2kuf h PRO 576 N -0.30 0.95 -0.74 0.92 0.11 -1.76 -2.36 132.00 128.81 2kuf h PRO 576 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2kuf h PRO 576 Cb 0.27 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 2kuf h PRO 576 CO -0.01 0.63 0.39 0.00 -0.21 0.00 0.00 178.00 178.80 2kuf h ARG 577 N 0.97 1.04 -0.17 1.05 2.47 -0.54 0.63 114.38 119.83 2kuf h ARG 577 Ca 0.46 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 59.03 2kuf h ARG 577 Cb 0.40 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2kuf h ARG 577 CO -0.24 0.77 -0.01 1.37 0.56 0.00 0.00 179.97 182.42 2kuf h LEU 578 N 1.04 0.31 -1.02 3.04 8.10 -0.25 0.35 115.31 126.88 2kuf h LEU 578 Ca 0.26 -0.32 -0.08 0.00 0.11 0.00 0.00 57.88 57.85 2kuf h LEU 578 Cb 0.05 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.17 2kuf h LEU 578 CO -0.04 0.56 -0.15 0.08 -4.11 0.00 0.00 178.44 174.77 2kuf h ARG 579 N 0.05 0.53 -0.64 0.17 0.11 -1.35 0.27 114.38 113.52 2kuf h ARG 579 Ca 0.05 -0.17 -0.08 0.00 0.10 0.00 0.00 59.98 59.88 2kuf h ARG 579 Cb 0.40 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.41 2kuf h ARG 579 CO 0.01 0.67 0.08 0.00 0.10 0.00 0.00 179.97 180.83 2kuf h ALA 580 N 1.36 0.93 -0.00 0.08 0.00 -0.42 -2.58 119.26 118.62 2kuf h ALA 580 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kuf h ALA 580 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kuf h ALA 580 CO 0.04 0.66 -0.55 1.47 0.00 0.00 0.00 179.25 180.87 2kuf n LEU 581 N -4.21 0.78 -1.11 0.00 -0.00 0.07 -4.95 117.00 107.59 2kuf n LEU 581 Ca 0.04 -0.19 -0.03 0.00 -0.00 0.00 0.00 56.01 55.83 2kuf n LEU 581 Cb 0.30 -0.16 0.01 0.00 -0.00 0.00 0.00 43.42 43.57 2kuf n LEU 581 CO 0.43 0.18 0.03 0.61 -0.00 0.00 0.00 177.39 178.64 2kuf n GLY 582 N 1.46 0.60 3.70 1.47 0.00 -0.29 -5.02 105.19 107.11 2kuf n GLY 582 Ca 0.07 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.05 3.50 -0.04 1.61 -0.00 0.81 -4.94 118.94 116.83 2kuf s TRP 583 Ca 0.07 1.15 0.17 0.00 -0.00 0.00 0.00 56.10 57.49 2kuf s TRP 583 Cb -0.03 -2.82 -0.26 0.00 -0.00 0.00 0.00 33.47 30.36 2kuf s TRP 583 CO 0.12 -0.01 0.34 2.41 -0.00 0.00 0.00 176.95 179.80 2kuf n THR 584 N 4.12 0.14 -1.31 5.86 -1.04 -1.26 -4.70 114.28 116.09 2kuf n THR 584 Ca -0.01 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 2kuf n THR 584 Cb 0.51 0.01 0.23 0.00 -1.82 0.00 0.00 70.33 69.25 2kuf n THR 584 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kuf s GLY 585 N -4.14 1.64 0.06 3.41 0.00 -0.91 -5.05 107.32 102.33 2kuf s GLY 585 Ca -0.07 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 2kuf s GLY 585 CO 0.72 -0.17 0.35 -0.29 0.00 0.00 0.00 173.10 173.71 2kuf s MET 586 N -5.55 3.68 -0.41 2.90 -2.45 -1.26 -4.96 119.30 111.26 2kuf s MET 586 Ca 0.72 0.05 -0.25 0.00 -1.25 0.00 0.00 55.69 54.96 2kuf s MET 586 Cb -0.08 -3.01 0.02 0.00 1.25 0.00 0.00 34.83 33.01 2kuf s MET 586 CO 0.55 0.58 0.88 -1.17 1.05 0.00 0.00 175.02 176.91 2kuf s LEU 587 N -1.96 4.05 -0.46 4.11 0.20 -1.26 -4.37 118.68 119.00 2kuf s LEU 587 Ca 0.32 0.30 -0.14 0.00 0.69 0.00 0.00 54.13 55.30 2kuf s LEU 587 Cb -0.13 -3.15 0.07 0.00 -0.43 0.00 0.00 46.19 42.55 2kuf s LEU 587 CO 0.18 -0.90 0.36 -0.62 -0.29 0.00 0.00 176.35 175.08 2kuf s ASP 588 N 2.03 6.01 -0.04 3.68 2.15 -1.19 -5.05 116.67 124.26 2kuf s ASP 588 Ca 0.35 -1.36 -0.19 0.00 0.43 0.00 0.00 52.55 51.78 2kuf s ASP 588 Cb -0.12 -2.13 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2kuf s ASP 588 CO 0.21 -0.61 0.53 -1.59 -0.17 0.00 0.00 175.17 173.54 2kuf s LYS 589 N 1.58 4.27 -0.03 4.34 0.00 -1.26 -2.08 119.74 126.56 2kuf s LYS 589 Ca 0.04 0.59 -0.08 0.00 0.00 0.00 0.00 55.97 56.51 2kuf s LYS 589 Cb -0.24 -3.36 -0.05 0.00 0.00 0.00 0.00 37.83 34.19 2kuf s LYS 589 CO 0.05 0.34 0.46 0.78 0.00 0.00 0.00 175.35 176.98 2kuf h GLY 590 N 5.90 -0.32 -4.75 0.59 0.00 -0.80 -3.47 103.07 100.23 2kuf h GLY 590 Ca -0.45 0.12 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 2kuf h GLY 590 CO 0.71 -0.11 -0.69 0.00 0.00 0.00 0.00 176.54 176.44 2kuf s ALA 591 N -3.46 0.16 -0.17 3.60 0.00 -1.26 -5.05 121.76 115.57 2kuf s ALA 591 Ca -0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2kuf s ALA 591 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kuf s ALA 591 CO 0.13 -0.19 -0.13 0.16 0.00 0.00 0.00 175.76 175.73 2kuf s ASP 592 N -1.65 3.77 -0.21 0.00 1.47 -1.25 -2.65 116.67 116.15 2kuf s ASP 592 Ca -0.13 -0.47 -0.03 0.00 1.18 0.00 0.00 52.55 53.10 2kuf s ASP 592 Cb -0.08 -1.60 -0.01 0.00 -0.34 0.00 0.00 42.92 40.90 2kuf s ASP 592 CO -0.02 0.05 -0.06 -0.69 0.68 0.00 0.00 175.17 175.13 2kuf s VAL 593 N 1.03 3.26 -0.52 2.11 1.01 -1.18 -4.86 120.40 121.25 2kuf s VAL 593 Ca -0.01 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2kuf s VAL 593 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2kuf s VAL 593 CO -0.03 0.44 1.39 -0.62 0.00 0.00 0.00 175.10 176.28 2kuf s ASP 594 N 1.39 6.22 0.00 3.32 2.15 -1.26 -1.54 116.67 126.94 2kuf s ASP 594 Ca 0.05 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.45 2kuf s ASP 594 Cb -0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2kuf s ASP 594 CO -0.04 -1.60 0.53 0.00 -0.17 0.00 0.00 175.17 173.89 2kuf n ALA 595 N 9.24 1.14 0.00 3.66 0.00 -1.26 -5.01 120.51 128.28 2kuf n ALA 595 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2kuf n ALA 595 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.10 1.89 0.35 0.00 0.00 -1.26 -4.92 105.19 101.15 2kuf n GLY 596 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.20 1.91 -0.02 0.00 -1.96 -1.52 103.07 101.69 2kuf h GLY 597 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2kuf h GLY 597 CO 0.00 0.04 0.04 0.23 0.00 0.00 0.00 176.54 176.84 2kuf h SER 598 N 0.14 0.00 0.26 0.19 0.87 -1.94 0.37 113.55 113.45 2kuf h SER 598 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2kuf h SER 598 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2kuf h SER 598 CO -0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 176.83 176.12 2kuf n GLN 599 N -3.73 0.86 -2.45 2.24 1.13 -0.57 -4.99 117.38 109.86 2kuf n GLN 599 Ca -0.02 -0.41 -0.02 0.00 -1.94 0.00 0.00 57.00 54.61 2kuf n GLN 599 Cb 0.12 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 -0.71 -3.47 -2.77 1.08 8.25 0.12 -4.87 115.22 112.85 2kuf n HIS 600 Ca 0.14 1.75 -0.43 0.00 -0.26 0.00 0.00 57.72 58.92 2kuf n HIS 600 Cb 0.31 -3.55 -0.02 0.00 1.12 0.00 0.00 29.99 27.85 2kuf n HIS 600 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2kuf s ASN 601 N -1.02 6.66 0.60 0.41 0.02 -1.26 -4.96 114.94 115.38 2kuf s ASN 601 Ca -0.10 -1.99 -0.01 0.00 -1.02 0.00 0.00 52.86 49.74 2kuf s ASN 601 Cb 0.01 -2.48 0.04 0.00 0.02 0.00 0.00 41.25 38.84 2kuf s ASN 601 CO 0.65 -1.19 0.85 0.00 0.02 0.00 0.00 177.10 177.43 2kuf s ARG 602 N 3.50 2.44 0.20 -0.60 1.70 -1.26 -4.20 118.95 120.74 2kuf s ARG 602 Ca 0.41 -0.62 -0.32 0.00 -0.47 0.00 0.00 55.73 54.73 2kuf s ARG 602 Cb -0.02 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.85 2kuf s ARG 602 CO -0.07 -0.87 1.72 0.08 -1.08 0.00 0.00 175.30 175.07 2kuf s VAL 603 N -2.91 2.08 -0.08 4.99 1.01 0.10 -3.69 120.40 121.90 2kuf s VAL 603 Ca 0.58 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2kuf s VAL 603 Cb -0.10 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 2kuf s VAL 603 CO 0.40 0.00 -0.04 0.55 0.00 0.00 0.00 175.10 176.02 2kuf n VAL 604 N 4.01 0.52 -4.11 2.92 3.14 -0.94 -2.81 118.33 121.06 2kuf n VAL 604 Ca 0.16 -0.25 -0.15 0.00 -2.96 0.00 0.00 64.34 61.14 2kuf n VAL 604 Cb 0.35 -0.82 -0.14 0.00 -1.06 0.00 0.00 33.84 32.17 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 -2.18 0.40 -0.00 1.45 5.04 -1.15 -4.96 117.35 115.94 2kuf s TYR 605 Ca -0.09 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2kuf s TYR 605 Cb 0.03 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.07 2kuf s TYR 605 CO 0.25 -0.01 -0.03 1.14 -1.34 0.00 0.00 175.55 175.56 2kuf s GLN 606 N -0.06 0.24 0.02 4.97 -2.07 -1.26 -0.60 119.66 120.90 2kuf s GLN 606 Ca 0.01 -0.09 -0.25 0.00 -1.82 0.00 0.00 55.36 53.21 2kuf s GLN 606 Cb -0.02 -0.25 -0.17 0.00 -1.09 0.00 0.00 33.01 31.48 2kuf s GLN 606 CO -0.00 0.05 1.37 -0.97 -1.32 0.00 0.00 175.29 174.41 2kuf h ASN 607 N 6.17 -0.23 -3.35 12.60 -1.24 -1.74 -3.42 115.58 124.37 2kuf h ASN 607 Ca -0.27 -0.20 -0.58 0.00 0.71 0.00 0.00 56.30 55.96 2kuf h ASN 607 Cb 1.19 0.06 -0.07 0.00 0.73 0.00 0.00 38.32 40.23 2kuf h ASN 607 CO 0.50 0.08 0.26 -2.16 -1.29 0.00 0.00 177.43 174.82 2kuf s PRO 608 N -4.96 4.31 0.73 6.67 0.04 -1.26 -5.05 135.00 135.48 2kuf s PRO 608 Ca -0.15 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2kuf s PRO 608 Cb 0.03 -3.54 0.04 0.00 0.04 0.00 0.00 34.50 31.06 2kuf s PRO 608 CO 0.60 -0.21 1.09 -2.14 0.04 0.00 0.00 177.00 176.38 2kuf s PRO 609 N 1.76 2.50 0.15 0.56 0.02 -1.26 -4.98 135.00 133.74 2kuf s PRO 609 Ca 0.36 1.17 -0.31 0.00 0.02 0.00 0.00 61.00 62.24 2kuf s PRO 609 Cb -0.17 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 2kuf s PRO 609 CO 0.14 -1.45 1.43 0.00 -0.33 0.00 0.00 177.00 176.78 2kuf s ALA 610 N -2.82 3.64 0.00 -1.55 0.00 -1.26 -2.23 121.76 117.53 2kuf s ALA 610 Ca 0.62 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kuf s ALA 610 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2kuf s ALA 610 CO 0.53 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2kuf n GLY 611 N 3.36 0.55 3.89 0.00 0.00 -0.25 -4.98 105.19 107.75 2kuf n GLY 611 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.18 5.01 0.08 2.61 2.01 -0.95 -4.81 115.64 117.41 2kuf s THR 612 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2kuf s THR 612 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2kuf s THR 612 CO 0.00 -0.08 0.99 -0.83 -0.69 0.00 0.00 174.62 174.01 2kuf s GLY 613 N -3.12 2.94 0.00 4.40 0.00 -1.26 -0.60 107.32 109.68 2kuf s GLY 613 Ca 0.33 0.59 0.07 0.00 0.00 0.00 0.00 44.72 45.71 2kuf s GLY 613 CO 0.26 1.56 -0.21 -1.34 0.00 0.00 0.00 173.10 173.38 2kuf s VAL 614 N 0.31 2.54 1.04 1.40 -7.23 0.72 -4.86 120.40 114.32 2kuf s VAL 614 Ca 0.49 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.38 2kuf s VAL 614 Cb -0.23 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 2kuf s VAL 614 CO 0.30 0.47 -0.40 -0.46 -0.31 0.00 0.00 175.10 174.69 2kuf n ASN 615 N 2.01 -2.99 0.28 4.85 0.23 -1.26 -1.08 115.26 117.30 2kuf n ASN 615 Ca -0.16 0.04 0.13 0.00 -0.53 0.00 0.00 54.58 54.06 2kuf n ASN 615 Cb 0.52 -0.87 0.81 0.00 -2.08 0.00 0.00 39.78 38.16 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 -1.56 0.00 0.00 -3.83 0.11 -0.90 0.14 114.38 108.34 2kuf h ARG 616 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2kuf h ARG 616 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2kuf h ARG 616 CO 0.31 0.04 -0.19 -0.25 0.10 0.00 0.00 179.97 179.98 2kuf n ASP 617 N -3.91 0.28 0.00 0.08 9.92 -1.26 -4.86 116.55 116.80 2kuf n ASP 617 Ca -0.03 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2kuf n ASP 617 Cb 0.13 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 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 1.47 0.20 3.65 0.44 0.00 0.50 -2.15 105.19 109.30 2kuf n GLY 618 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.40 3.85 -0.08 -0.61 -1.16 -1.26 -4.89 121.20 115.64 2kuf s ILE 619 Ca 0.00 1.01 0.05 0.00 -0.51 0.00 0.00 60.65 61.20 2kuf s ILE 619 Cb 0.00 -3.70 -0.00 0.00 0.61 0.00 0.00 42.46 39.36 2kuf s ILE 619 CO 0.00 -0.15 -0.23 0.27 -2.81 0.00 0.00 174.94 172.02 2kuf s ILE 620 N 4.11 1.94 -0.26 2.00 -5.25 -1.26 -4.85 121.20 117.62 2kuf s ILE 620 Ca 0.66 -0.98 -0.08 0.00 -0.99 0.00 0.00 60.65 59.27 2kuf s ILE 620 Cb -0.27 -1.67 -0.03 0.00 2.95 0.00 0.00 42.46 43.44 2kuf s ILE 620 CO 0.24 0.54 0.10 0.28 -1.79 0.00 0.00 174.94 174.31 2kuf s THR 621 N 0.13 4.51 0.14 8.37 -1.32 -1.26 -3.14 115.64 123.08 2kuf s THR 621 Ca -0.11 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.21 2kuf s THR 621 Cb -0.16 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.65 2kuf s THR 621 CO 0.06 0.28 0.06 -1.48 -2.21 0.00 0.00 174.62 171.33 2kuf s LEU 622 N 1.64 1.73 0.01 9.08 2.34 -0.89 -1.76 118.68 130.83 2kuf s LEU 622 Ca 0.06 -1.23 0.05 0.00 0.06 0.00 0.00 54.13 53.07 2kuf s LEU 622 Cb -0.16 0.27 -0.02 0.00 -0.56 0.00 0.00 46.19 45.73 2kuf s LEU 622 CO 0.05 -0.73 -0.15 0.00 -1.06 0.00 0.00 176.35 174.46 2kuf s ARG 623 N -4.05 1.12 0.16 1.48 1.70 0.23 -0.02 118.95 119.57 2kuf s ARG 623 Ca 0.26 -0.64 -0.03 0.00 -0.47 0.00 0.00 55.73 54.85 2kuf s ARG 623 Cb 0.07 -1.11 -0.03 0.00 -0.57 0.00 0.00 34.95 33.31 2kuf s ARG 623 CO 0.03 0.29 0.14 -0.59 -1.08 0.00 0.00 175.30 174.09 2kuf s PHE 624 N -0.55 0.83 0.00 5.89 -0.71 -1.09 -2.22 117.98 120.13 2kuf s PHE 624 Ca 0.04 -1.16 0.00 0.00 -1.04 0.00 0.00 56.93 54.78 2kuf s PHE 624 Cb -0.07 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.36 2kuf s PHE 624 CO 0.00 -0.61 0.00 0.41 -1.34 0.00 0.00 175.22 173.68 2kuf n GLY 625 N -0.18 0.74 0.91 1.99 0.00 -1.24 -3.10 105.19 104.31 2kuf n GLY 625 Ca -0.04 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.74 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14