#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 4.12 -1.39 1.61 0.02 -1.26 -3.58 135.00 134.52 2kuf s PRO 492 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2kuf s PRO 492 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2kuf s PRO 492 CO 0.00 -0.21 0.00 0.00 -0.33 0.00 0.00 177.00 176.46 2kuf n ALA 493 N 0.03 -0.31 -2.85 -1.55 0.00 -1.26 -4.99 120.51 109.57 2kuf n ALA 493 Ca 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 2kuf n ALA 493 Cb 0.48 -1.62 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.62 0.11 0.01 0.00 -4.23 -1.24 -0.23 115.64 107.44 2kuf s THR 494 Ca 0.00 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 2kuf s THR 494 Cb 0.00 -0.10 -0.01 0.00 1.34 0.00 0.00 72.50 73.73 2kuf s THR 494 CO 0.00 0.03 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.29 2kuf s LYS 495 N -0.02 0.56 0.00 3.99 2.36 0.11 -4.74 119.74 122.01 2kuf s LYS 495 Ca 0.00 -0.41 -0.30 0.00 -2.55 0.00 0.00 55.97 52.71 2kuf s LYS 495 Cb -0.01 -0.49 -0.04 0.00 -1.05 0.00 0.00 37.83 36.24 2kuf s LYS 495 CO -0.00 0.13 1.09 0.16 1.55 0.00 0.00 175.35 178.27 2kuf s ASP 496 N -0.60 7.22 0.12 1.43 -4.77 -1.26 -0.68 116.67 118.13 2kuf s ASP 496 Ca -0.01 1.79 -0.25 0.00 -3.30 0.00 0.00 52.55 50.78 2kuf s ASP 496 Cb -0.05 -2.57 -0.07 0.00 -1.09 0.00 0.00 42.92 39.14 2kuf s ASP 496 CO 0.00 -0.39 0.78 0.27 0.70 0.00 0.00 175.17 176.53 2kuf s ILE 497 N 1.29 4.49 1.10 2.11 -4.36 -0.78 -4.94 121.20 120.10 2kuf s ILE 497 Ca 0.54 1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 62.46 2kuf s ILE 497 Cb -0.24 -4.14 0.24 0.00 1.25 0.00 0.00 42.46 39.57 2kuf s ILE 497 CO 0.27 0.46 1.17 -2.16 0.24 0.00 0.00 174.94 174.92 2kuf s PRO 498 N -0.75 -0.38 -0.06 0.37 0.04 -1.26 -0.87 135.00 132.09 2kuf s PRO 498 Ca 0.37 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.04 2kuf s PRO 498 Cb -0.22 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2kuf s PRO 498 CO 0.25 -3.15 0.93 0.16 0.04 0.00 0.00 177.00 175.23 2kuf s ASP 499 N -4.15 7.23 0.00 6.66 -4.77 -1.26 -4.45 116.67 115.92 2kuf s ASP 499 Ca 0.71 1.50 0.00 0.00 -3.30 0.00 0.00 52.55 51.45 2kuf s ASP 499 Cb -0.09 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2kuf s ASP 499 CO 0.55 -0.31 0.00 1.33 0.70 0.00 0.00 175.17 177.44 2kuf n VAL 500 N 4.18 0.00 -2.11 2.11 0.24 -1.26 -4.97 118.33 116.52 2kuf n VAL 500 Ca 0.06 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 2kuf n VAL 500 Cb 0.50 0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.41 2.01 0.00 2.33 0.00 -1.26 -2.72 121.76 120.72 2kuf s ALA 501 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2kuf s ALA 501 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2kuf s ALA 501 CO 0.00 -4.26 0.00 0.41 0.00 0.00 0.00 175.76 171.91 2kuf n GLY 502 N 6.28 2.87 2.75 0.00 0.00 -1.04 -4.98 105.19 111.08 2kuf n GLY 502 Ca 0.29 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.25 -1.79 1.61 0.00 -1.10 -4.83 117.38 111.02 2kuf n GLN 503 Ca 0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 57.00 54.90 2kuf n GLN 503 Cb 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 30.24 29.64 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 -2.44 3.39 0.18 -0.39 2.01 -1.26 -2.57 115.64 114.55 2kuf s THR 504 Ca 0.49 0.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.02 2kuf s THR 504 Cb -0.02 -3.16 0.08 0.00 0.01 0.00 0.00 72.50 69.41 2kuf s THR 504 CO 0.33 -0.41 1.70 1.62 -0.69 0.00 0.00 174.62 177.17 2kuf h VAL 505 N 0.05 1.25 -0.82 3.82 3.04 -0.81 0.21 116.25 122.99 2kuf h VAL 505 Ca -0.47 -0.89 -0.02 0.00 -1.01 0.00 0.00 66.70 64.31 2kuf h VAL 505 Cb 1.24 0.64 -0.04 0.00 -2.01 0.00 0.00 31.29 31.12 2kuf h VAL 505 CO 0.55 0.34 0.44 -0.78 -1.01 0.00 0.00 177.57 177.10 2kuf h ASP 506 N 0.91 1.03 -0.32 3.17 1.82 -1.92 0.19 116.42 121.30 2kuf h ASP 506 Ca 0.20 -0.11 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 2kuf h ASP 506 Cb 0.33 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2kuf h ASP 506 CO -0.00 0.84 -0.16 0.58 -1.61 0.00 0.00 179.24 178.90 2kuf h VAL 507 N 1.14 1.29 -0.54 2.25 2.07 -1.83 0.14 116.25 120.77 2kuf h VAL 507 Ca 0.29 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2kuf h VAL 507 Cb 0.05 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2kuf h VAL 507 CO -0.04 0.41 0.32 0.00 0.02 0.00 0.00 177.57 178.27 2kuf h ALA 508 N 0.77 0.70 -0.37 1.67 0.00 0.05 0.25 119.26 122.33 2kuf h ALA 508 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kuf h ALA 508 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2kuf h ALA 508 CO 0.05 0.02 0.14 1.96 0.00 0.00 0.00 179.25 181.41 2kuf h GLN 509 N 0.62 0.56 -0.50 0.00 4.20 -0.35 0.30 115.11 119.95 2kuf h GLN 509 Ca 0.22 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2kuf h GLN 509 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2kuf h GLN 509 CO -0.11 0.55 0.21 0.87 -0.67 0.00 0.00 178.83 179.69 2kuf h LYS 510 N 0.45 0.74 -0.45 1.46 1.79 -0.37 -1.02 116.57 119.18 2kuf h LYS 510 Ca 0.12 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2kuf h LYS 510 Cb 0.21 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2kuf h LYS 510 CO -0.01 0.65 0.11 -0.91 -1.08 0.00 0.00 179.45 178.21 2kuf h ASN 511 N 0.66 0.68 -0.11 0.86 2.35 -0.18 -1.29 115.58 118.57 2kuf h ASN 511 Ca 0.17 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 2kuf h ASN 511 Cb 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2kuf h ASN 511 CO -0.02 0.74 -0.37 0.17 -1.65 0.00 0.00 177.43 176.30 2kuf h LEU 512 N 0.60 0.66 -1.18 1.61 8.10 -0.83 -2.71 115.31 121.56 2kuf h LEU 512 Ca 0.14 -0.28 -0.04 0.00 0.11 0.00 0.00 57.88 57.81 2kuf h LEU 512 Cb 0.32 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2kuf h LEU 512 CO 0.00 0.97 0.13 -1.13 -4.11 0.00 0.00 178.44 174.29 2kuf h ASN 513 N 0.52 0.64 -0.59 0.17 -0.00 -0.84 0.14 115.58 115.62 2kuf h ASN 513 Ca 0.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.25 2kuf h ASN 513 Cb 0.88 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 39.01 2kuf h ASN 513 CO 0.08 0.63 0.35 0.58 -0.00 0.00 0.00 177.43 179.07 2kuf h VAL 514 N 0.68 1.18 -0.25 2.57 2.07 -0.91 0.27 116.25 121.86 2kuf h VAL 514 Ca 0.16 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2kuf h VAL 514 Cb 0.24 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2kuf h VAL 514 CO -0.01 0.19 -0.02 -1.22 0.02 0.00 0.00 177.57 176.53 2kuf n TYR 515 N -4.40 0.86 0.15 1.57 4.01 -0.80 -4.71 117.16 113.84 2kuf n TYR 515 Ca 0.06 -1.09 0.00 0.00 -0.16 0.00 0.00 57.90 56.70 2kuf n TYR 515 Cb 0.08 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 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 -0.80 -0.59 2.37 2.72 0.00 0.41 -4.94 105.19 104.36 2kuf n GLY 516 Ca 0.24 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.38 -0.26 -2.09 1.61 3.72 0.92 -4.99 117.46 112.99 2kuf n PHE 517 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2kuf n PHE 517 Cb 0.00 -2.77 0.13 0.00 -0.94 0.00 0.00 39.48 35.90 2kuf n PHE 517 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kuf s THR 518 N -2.61 2.08 -0.08 4.37 -4.23 -1.26 -5.04 115.64 108.87 2kuf s THR 518 Ca 0.00 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2kuf s THR 518 Cb 0.00 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2kuf s THR 518 CO 0.00 0.00 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.52 2kuf s LYS 519 N -5.57 2.90 0.15 3.99 3.01 -1.25 -4.84 119.74 118.13 2kuf s LYS 519 Ca 0.67 -0.46 0.08 0.00 -1.01 0.00 0.00 55.97 55.26 2kuf s LYS 519 Cb -0.07 -2.73 -0.04 0.00 -1.01 0.00 0.00 37.83 33.98 2kuf s LYS 519 CO 0.49 0.69 -0.18 -0.59 0.51 0.00 0.00 175.35 176.26 2kuf s PHE 520 N -0.88 1.78 0.03 3.18 -0.12 -1.26 -0.14 117.98 120.57 2kuf s PHE 520 Ca 0.13 -0.46 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 2kuf s PHE 520 Cb -0.11 -0.91 -0.02 0.00 -0.63 0.00 0.00 43.02 41.35 2kuf s PHE 520 CO 0.03 0.29 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.87 2kuf s SER 521 N -2.48 0.85 -0.18 1.98 1.04 0.98 -4.86 113.70 111.02 2kuf s SER 521 Ca 0.13 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2kuf s SER 521 Cb -0.07 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2kuf s SER 521 CO 0.06 -0.12 -0.19 0.00 0.98 0.00 0.00 173.24 173.97 2kuf s GLN 522 N -1.18 2.99 -0.26 4.02 -2.07 -1.26 -0.27 119.66 121.63 2kuf s GLN 522 Ca -0.06 -0.83 -0.05 0.00 -1.82 0.00 0.00 55.36 52.60 2kuf s GLN 522 Cb -0.08 -2.59 0.01 0.00 -1.09 0.00 0.00 33.01 29.26 2kuf s GLN 522 CO 0.00 -0.22 0.01 0.00 -1.32 0.00 0.00 175.29 173.77 2kuf s ALA 523 N 1.29 2.92 -0.20 2.60 0.00 0.58 -4.96 121.76 123.99 2kuf s ALA 523 Ca 0.05 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 2kuf s ALA 523 Cb -0.13 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2kuf s ALA 523 CO -0.13 -0.74 0.30 -1.12 0.00 0.00 0.00 175.76 174.08 2kuf s SER 524 N 1.46 6.36 0.11 0.00 0.01 -1.26 -0.06 113.70 120.32 2kuf s SER 524 Ca 0.03 0.41 0.10 0.00 1.31 0.00 0.00 55.95 57.80 2kuf s SER 524 Cb -0.16 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kuf s SER 524 CO -0.01 0.02 -0.25 0.54 0.41 0.00 0.00 173.24 173.95 2kuf s VAL 525 N 0.95 2.10 0.14 3.43 0.11 0.89 -4.89 120.40 123.13 2kuf s VAL 525 Ca 0.15 -1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 57.26 2kuf s VAL 525 Cb -0.14 -1.86 -0.06 0.00 -1.53 0.00 0.00 36.38 32.79 2kuf s VAL 525 CO 0.05 0.09 0.95 1.51 -3.33 0.00 0.00 175.10 174.38 2kuf s ASP 526 N -1.89 7.52 0.24 3.54 -4.77 -1.26 -0.08 116.67 119.97 2kuf s ASP 526 Ca 0.12 1.82 -0.14 0.00 -3.30 0.00 0.00 52.55 51.04 2kuf s ASP 526 Cb -0.10 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2kuf s ASP 526 CO 0.05 -0.01 0.50 -0.44 0.70 0.00 0.00 175.17 175.97 2kuf s SER 527 N -0.27 -0.13 0.03 2.11 0.01 -0.25 -4.84 113.70 110.36 2kuf s SER 527 Ca 0.45 -0.83 0.23 0.00 1.31 0.00 0.00 55.95 57.12 2kuf s SER 527 Cb -0.24 0.59 0.97 0.00 0.21 0.00 0.00 66.02 67.55 2kuf s SER 527 CO 0.30 -1.14 1.74 -0.81 0.41 0.00 0.00 173.24 173.74 2kuf n PRO 528 N -0.37 0.03 -2.79 12.44 -0.04 -1.26 -3.56 135.00 139.44 2kuf n PRO 528 Ca -0.03 0.13 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2kuf n PRO 528 Cb 0.62 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kuf s ARG 529 N -3.03 4.72 0.40 0.54 0.52 -1.26 -4.89 118.95 115.95 2kuf s ARG 529 Ca 0.11 1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 56.44 2kuf s ARG 529 Cb 0.14 -3.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 2kuf s ARG 529 CO 0.43 0.37 1.32 -2.14 0.02 0.00 0.00 175.30 175.30 2kuf s PRO 530 N -0.57 3.98 -0.02 3.54 0.02 -1.26 -3.14 135.00 137.55 2kuf s PRO 530 Ca 0.43 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 63.34 2kuf s PRO 530 Cb -0.24 -2.78 -0.09 0.00 0.02 0.00 0.00 34.50 31.42 2kuf s PRO 530 CO 0.29 -0.49 2.02 0.00 -0.33 0.00 0.00 177.00 178.49 2kuf n ALA 531 N 0.16 1.58 0.00 -1.55 0.00 -1.10 -2.30 120.51 117.30 2kuf n ALA 531 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kuf n ALA 531 Cb 0.43 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 4.78 1.27 3.74 0.00 0.00 -1.13 -4.89 105.19 108.96 2kuf n GLY 532 Ca 0.22 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 0.00 4.56 -0.35 1.61 2.12 -0.97 -0.13 118.70 125.54 2kuf s GLU 533 Ca 0.00 1.78 -0.13 0.00 0.36 0.00 0.00 54.97 56.98 2kuf s GLU 533 Cb 0.00 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 2kuf s GLU 533 CO 0.00 0.04 0.24 0.54 -0.54 0.00 0.00 175.26 175.53 2kuf s VAL 534 N -0.28 5.13 -1.19 3.70 0.11 -1.06 -0.26 120.40 126.54 2kuf s VAL 534 Ca 0.50 -0.38 0.28 0.00 -2.93 0.00 0.00 61.98 59.44 2kuf s VAL 534 Cb -0.31 -3.70 0.35 0.00 -1.53 0.00 0.00 36.38 31.20 2kuf s VAL 534 CO 0.36 -0.08 1.93 0.35 -3.33 0.00 0.00 175.10 174.33 2kuf n THR 535 N 5.09 0.09 -1.15 5.04 -2.24 -0.27 -2.49 114.28 118.35 2kuf n THR 535 Ca -0.12 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2kuf n THR 535 Cb 0.49 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.26 0.06 3.54 3.38 0.00 -1.22 -4.71 105.19 107.49 2kuf n GLY 536 Ca 0.10 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.17 2.89 0.08 2.61 -4.23 -1.26 -0.12 115.64 113.45 2kuf s THR 537 Ca 0.00 -2.13 -0.20 0.00 -1.18 0.00 0.00 61.69 58.19 2kuf s THR 537 Cb 0.00 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 2kuf s THR 537 CO 0.00 -0.34 1.56 -1.13 -0.54 0.00 0.00 174.62 174.17 2kuf h ASN 538 N 2.27 0.31 -3.63 3.99 -0.73 -1.77 -3.41 115.58 112.61 2kuf h ASN 538 Ca -0.43 -0.24 -0.51 0.00 1.87 0.00 0.00 56.30 56.99 2kuf h ASN 538 Cb 1.25 -0.08 0.02 0.00 0.27 0.00 0.00 38.32 39.77 2kuf h ASN 538 CO 0.59 0.47 0.52 -2.84 -0.37 0.00 0.00 177.43 175.79 2kuf s PRO 539 N -5.25 4.56 0.40 6.67 0.02 -1.26 -4.99 135.00 135.14 2kuf s PRO 539 Ca -0.14 1.83 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 2kuf s PRO 539 Cb 0.07 -3.22 -0.10 0.00 0.02 0.00 0.00 34.50 31.26 2kuf s PRO 539 CO 0.72 0.04 1.49 -0.35 -0.33 0.00 0.00 177.00 178.57 2kuf n PRO 540 N 1.96 2.61 -1.81 5.54 -0.04 -1.26 -4.92 135.00 137.07 2kuf n PRO 540 Ca 0.02 0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 63.98 2kuf n PRO 540 Cb 0.45 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuf s ALA 541 N -1.14 3.80 0.00 0.55 0.00 -1.26 -1.69 121.76 122.02 2kuf s ALA 541 Ca 0.55 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2kuf s ALA 541 Cb -0.47 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2kuf s ALA 541 CO 0.63 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2kuf n GLY 542 N 2.99 3.07 3.75 0.00 0.00 -0.05 -4.96 105.19 109.99 2kuf n GLY 542 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.70 3.91 -0.18 2.61 2.01 -0.68 -4.56 115.64 116.05 2kuf s THR 543 Ca 0.00 1.78 -0.25 0.00 0.31 0.00 0.00 61.69 63.53 2kuf s THR 543 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2kuf s THR 543 CO 0.00 0.37 0.83 -0.89 -0.69 0.00 0.00 174.62 174.24 2kuf s THR 544 N -0.72 4.87 0.20 -0.82 2.01 -1.26 -1.87 115.64 118.06 2kuf s THR 544 Ca 0.45 1.63 0.09 0.00 0.31 0.00 0.00 61.69 64.18 2kuf s THR 544 Cb -0.28 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2kuf s THR 544 CO 0.35 0.01 -0.18 0.68 -0.69 0.00 0.00 174.62 174.79 2kuf s VAL 545 N 2.24 1.98 0.32 3.82 -7.23 0.14 -4.83 120.40 116.84 2kuf s VAL 545 Ca 0.38 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2kuf s VAL 545 Cb -0.16 -2.02 -0.11 0.00 0.56 0.00 0.00 36.38 34.65 2kuf s VAL 545 CO 0.12 -0.39 1.59 -0.81 -0.31 0.00 0.00 175.10 175.29 2kuf n PRO 546 N -0.08 2.74 0.29 4.82 -0.04 -1.26 0.09 135.00 141.57 2kuf n PRO 546 Ca -0.10 0.97 0.18 0.00 -0.04 0.00 0.00 63.50 64.51 2kuf n PRO 546 Cb 0.58 -2.75 0.84 0.00 -0.04 0.00 0.00 33.50 32.13 2kuf n PRO 546 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kuf h VAL 547 N 3.28 0.07 0.00 0.52 3.04 -0.93 -2.32 116.25 119.90 2kuf h VAL 547 Ca -0.48 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 2kuf h VAL 547 Cb 1.23 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 2kuf h VAL 547 CO 0.76 0.02 -0.37 -0.78 -1.01 0.00 0.00 177.57 176.19 2kuf h ASP 548 N 0.00 0.00 -2.28 3.17 1.82 -1.90 -3.41 116.42 113.82 2kuf h ASP 548 Ca -0.00 -0.04 -0.45 0.00 -0.39 0.00 0.00 57.03 56.14 2kuf h ASP 548 Cb 0.36 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.38 2kuf h ASP 548 CO 0.00 0.02 -0.27 -0.44 -1.61 0.00 0.00 179.24 176.95 2kuf s SER 549 N -5.27 6.04 -0.10 2.28 0.01 -0.88 -4.87 113.70 110.92 2kuf s SER 549 Ca 0.06 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 2kuf s SER 549 Cb 0.09 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 2kuf s SER 549 CO 0.69 -0.42 0.56 0.54 0.41 0.00 0.00 173.24 175.03 2kuf s VAL 550 N -2.27 5.13 -0.10 3.43 0.11 -1.26 -3.76 120.40 121.69 2kuf s VAL 550 Ca 0.43 1.14 -0.17 0.00 -2.93 0.00 0.00 61.98 60.45 2kuf s VAL 550 Cb -0.10 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 2kuf s VAL 550 CO 0.33 0.29 0.44 -0.63 -3.33 0.00 0.00 175.10 172.20 2kuf s ILE 551 N 0.74 5.17 -0.29 7.04 1.01 0.80 -4.93 121.20 130.73 2kuf s ILE 551 Ca 0.30 0.87 -0.10 0.00 0.00 0.00 0.00 60.65 61.73 2kuf s ILE 551 Cb -0.16 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2kuf s ILE 551 CO 0.13 0.39 0.15 -1.83 0.00 0.00 0.00 174.94 173.78 2kuf s GLU 552 N 0.24 3.57 -0.22 2.79 1.03 -1.26 -0.01 118.70 124.83 2kuf s GLU 552 Ca 0.24 -0.56 -0.08 0.00 0.03 0.00 0.00 54.97 54.60 2kuf s GLU 552 Cb -0.15 -3.55 -0.04 0.00 -0.80 0.00 0.00 34.13 29.60 2kuf s GLU 552 CO 0.10 -0.31 0.09 -0.51 -1.33 0.00 0.00 175.26 173.30 2kuf s LEU 553 N 1.66 3.71 -0.28 1.83 1.02 0.63 -1.87 118.68 125.37 2kuf s LEU 553 Ca 0.06 -0.04 -0.18 0.00 0.02 0.00 0.00 54.13 53.98 2kuf s LEU 553 Cb -0.16 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.05 2kuf s LEU 553 CO 0.07 0.06 0.52 -1.10 0.02 0.00 0.00 176.35 175.92 2kuf s GLN 554 N 1.08 3.97 -0.17 1.70 1.11 0.83 -0.31 119.66 127.86 2kuf s GLN 554 Ca 0.05 0.22 -0.09 0.00 0.01 0.00 0.00 55.36 55.55 2kuf s GLN 554 Cb -0.14 -3.69 -0.05 0.00 -1.01 0.00 0.00 33.01 28.12 2kuf s GLN 554 CO 0.04 -0.43 0.15 0.08 0.01 0.00 0.00 175.29 175.13 2kuf s VAL 555 N 2.35 5.43 -0.24 1.09 1.01 0.92 -1.11 120.40 129.85 2kuf s VAL 555 Ca 0.21 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 2kuf s VAL 555 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2kuf s VAL 555 CO 0.10 0.51 0.91 -0.44 0.00 0.00 0.00 175.10 176.18 2kuf s SER 556 N -0.17 6.92 0.00 3.32 0.01 0.64 -0.08 113.70 124.35 2kuf s SER 556 Ca 0.11 1.14 -0.09 0.00 1.31 0.00 0.00 55.95 58.42 2kuf s SER 556 Cb -0.12 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 2kuf s SER 556 CO 0.01 -0.59 0.31 -1.59 0.41 0.00 0.00 173.24 171.80 2kuf s LYS 557 N 3.00 3.68 0.62 12.44 -2.85 0.89 -2.72 119.74 134.80 2kuf s LYS 557 Ca 0.38 0.09 0.32 0.00 -1.00 0.00 0.00 55.97 55.76 2kuf s LYS 557 Cb -0.15 -3.11 1.76 0.00 -2.06 0.00 0.00 37.83 34.27 2kuf s LYS 557 CO 0.07 0.66 2.08 0.78 0.10 0.00 0.00 175.35 179.04 2kuf h GLY 558 N 4.24 0.00 0.00 0.59 0.00 -1.71 -0.65 103.07 105.54 2kuf h GLY 558 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2kuf h GLY 558 CO 0.64 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.17 2kuf n ASN 559 N -3.47 0.00 -4.63 0.19 2.85 -1.23 -4.51 115.26 104.45 2kuf n ASN 559 Ca 0.01 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.23 2kuf n ASN 559 Cb 0.33 -0.11 -0.08 0.00 1.24 0.00 0.00 39.78 41.16 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 -0.01 2.28 0.13 1.20 -0.21 -1.26 -0.75 119.66 121.04 2kuf s GLN 560 Ca 0.00 -1.28 0.05 0.00 0.02 0.00 0.00 55.36 54.15 2kuf s GLN 560 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 2kuf s GLN 560 CO 0.00 0.41 -0.12 -0.59 -2.12 0.00 0.00 175.29 172.87 2kuf s PHE 561 N -1.98 1.31 -0.13 0.91 -0.71 -0.10 -4.86 117.98 112.43 2kuf s PHE 561 Ca 0.28 -0.65 -0.29 0.00 -1.04 0.00 0.00 56.93 55.23 2kuf s PHE 561 Cb -0.08 -0.67 -0.02 0.00 -1.21 0.00 0.00 43.02 41.03 2kuf s PHE 561 CO 0.18 0.11 1.27 0.08 -1.34 0.00 0.00 175.22 175.53 2kuf s VAL 562 N -2.67 4.22 0.08 -2.49 1.01 -1.26 -0.83 120.40 118.45 2kuf s VAL 562 Ca 0.12 1.50 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 2kuf s VAL 562 Cb -0.02 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2kuf s VAL 562 CO 0.02 -0.10 1.63 -0.32 0.00 0.00 0.00 175.10 176.34 2kuf s MET 563 N 3.17 4.20 0.91 2.72 1.75 0.13 -4.87 119.30 127.31 2kuf s MET 563 Ca 0.56 2.33 -0.12 0.00 -1.25 0.00 0.00 55.69 57.21 2kuf s MET 563 Cb -0.23 -3.53 0.14 0.00 2.84 0.00 0.00 34.83 34.04 2kuf s MET 563 CO 0.18 -0.71 1.13 -2.14 -0.65 0.00 0.00 175.02 172.82 2kuf s PRO 564 N 2.41 1.12 0.26 4.11 0.02 -1.26 -0.40 135.00 141.25 2kuf s PRO 564 Ca 0.73 0.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.82 2kuf s PRO 564 Cb -0.40 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.20 2kuf s PRO 564 CO 0.32 -2.23 1.16 -0.51 -0.33 0.00 0.00 177.00 175.41 2kuf s ASP 565 N -3.91 7.15 0.00 2.53 1.11 -1.26 -4.67 116.67 117.62 2kuf s ASP 565 Ca 0.64 2.31 0.04 0.00 0.18 0.00 0.00 52.55 55.72 2kuf s ASP 565 Cb -0.15 -2.62 0.07 0.00 1.07 0.00 0.00 42.92 41.28 2kuf s ASP 565 CO 0.54 -0.27 0.86 0.00 1.18 0.00 0.00 175.17 177.48 2kuf n LEU 566 N 1.56 -0.13 -4.76 1.23 -0.00 -1.26 -5.13 117.00 108.51 2kuf n LEU 566 Ca 0.01 -1.46 -0.39 0.00 -0.00 0.00 0.00 56.01 54.17 2kuf n LEU 566 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 2kuf n LEU 566 CO 0.55 0.92 0.69 -0.44 -0.00 0.00 0.00 177.39 179.12 2kuf s SER 567 N -0.82 7.40 -0.91 1.45 0.01 -1.26 -3.66 113.70 115.90 2kuf s SER 567 Ca 0.06 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2kuf s SER 567 Cb 0.06 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kuf s SER 567 CO -0.03 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2kuf n GLY 568 N 1.10 0.24 3.97 3.44 0.00 -1.26 -5.00 105.19 107.68 2kuf n GLY 568 Ca -0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.11 3.44 0.50 1.61 0.00 -1.24 -4.67 119.30 114.84 2kuf s MET 569 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 55.69 55.05 2kuf s MET 569 Cb 0.00 -2.87 0.04 0.00 0.00 0.00 0.00 34.83 32.00 2kuf s MET 569 CO 0.00 0.40 0.58 -0.06 0.00 0.00 0.00 175.02 175.95 2kuf s PHE 570 N -2.01 2.01 0.29 3.16 0.08 -1.26 -0.18 117.98 120.07 2kuf s PHE 570 Ca 0.35 -0.63 0.15 0.00 0.12 0.00 0.00 56.93 56.91 2kuf s PHE 570 Cb -0.09 -2.18 0.65 0.00 -0.57 0.00 0.00 43.02 40.83 2kuf s PHE 570 CO 0.30 -0.66 1.75 2.35 -0.10 0.00 0.00 175.22 178.86 2kuf h TRP 571 N 0.56 0.00 0.00 0.36 2.91 -1.96 0.28 115.95 118.10 2kuf h TRP 571 Ca -0.36 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.66 2kuf h TRP 571 Cb 1.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 2kuf h TRP 571 CO 0.55 0.43 0.00 1.33 -1.03 0.00 0.00 178.44 179.72 2kuf n VAL 572 N -3.81 0.72 -0.08 2.65 0.24 -1.26 -2.01 118.33 114.77 2kuf n VAL 572 Ca -0.01 0.09 -0.07 0.00 -2.04 0.00 0.00 64.34 62.31 2kuf n VAL 572 Cb 0.49 -0.93 -0.15 0.00 -1.47 0.00 0.00 33.84 31.78 2kuf n VAL 572 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kuf n ASP 573 N -2.04 0.36 0.17 -1.34 2.03 -0.56 -4.52 116.55 110.65 2kuf n ASP 573 Ca 0.04 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.21 2kuf n ASP 573 Cb 0.28 1.10 -0.07 0.00 -0.72 0.00 0.00 41.12 41.70 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 -0.39 -0.22 -1.67 0.00 0.13 -2.36 119.26 115.80 2kuf h ALA 574 Ca -0.44 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2kuf h ALA 574 Cb 1.99 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 2kuf h ALA 574 CO 0.02 -0.73 -0.09 0.93 0.00 0.00 0.00 179.25 179.39 2kuf h GLU 575 N -0.40 -0.05 -0.21 0.00 5.08 -1.70 0.87 114.58 118.17 2kuf h GLU 575 Ca -0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2kuf h GLU 575 Cb 0.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kuf h GLU 575 CO 0.02 -0.03 0.16 -1.00 -1.00 0.00 0.00 179.01 177.16 2kuf h PRO 576 N -0.05 0.00 -0.40 2.33 0.13 -1.78 -1.61 132.00 130.61 2kuf h PRO 576 Ca 0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 2kuf h PRO 576 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2kuf h PRO 576 CO -0.26 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 177.22 2kuf h ARG 577 N 0.00 0.88 -0.21 0.86 2.47 -0.33 -1.50 114.38 116.56 2kuf h ARG 577 Ca 0.10 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2kuf h ARG 577 Cb 0.42 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2kuf h ARG 577 CO -0.00 1.05 0.13 -0.07 0.56 0.00 0.00 179.97 181.64 2kuf h LEU 578 N 0.74 0.21 -0.72 3.04 4.07 -0.19 0.13 115.31 122.59 2kuf h LEU 578 Ca 0.08 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 2kuf h LEU 578 Cb 0.86 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 2kuf h LEU 578 CO 0.08 0.16 -0.06 0.08 -1.08 0.00 0.00 178.44 177.61 2kuf h ARG 579 N 0.26 0.91 -0.34 1.13 0.11 -1.48 0.54 114.38 115.52 2kuf h ARG 579 Ca 0.08 -0.30 -0.16 0.00 0.10 0.00 0.00 59.98 59.70 2kuf h ARG 579 Cb -0.02 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 2kuf h ARG 579 CO -0.03 0.95 -0.42 0.00 0.10 0.00 0.00 179.97 180.57 2kuf h ALA 580 N 1.09 0.61 -0.00 0.08 0.00 -0.90 -2.79 119.26 117.36 2kuf h ALA 580 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kuf h ALA 580 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kuf h ALA 580 CO 0.04 0.68 -0.16 -0.11 0.00 0.00 0.00 179.25 179.69 2kuf n LEU 581 N -4.04 0.18 -3.43 0.00 7.94 0.41 -4.92 117.00 113.15 2kuf n LEU 581 Ca -0.02 0.31 -0.21 0.00 -1.11 0.00 0.00 56.01 54.97 2kuf n LEU 581 Cb 0.56 -0.40 0.08 0.00 0.53 0.00 0.00 43.42 44.19 2kuf n LEU 581 CO 0.48 0.04 0.21 0.61 -1.11 0.00 0.00 177.39 177.62 2kuf n GLY 582 N 1.48 -0.45 3.69 -3.96 0.00 -0.15 -4.95 105.19 100.86 2kuf n GLY 582 Ca 0.07 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.32 3.50 -0.41 1.61 -0.00 -0.00 -4.93 118.94 115.40 2kuf s TRP 583 Ca 0.43 1.27 0.22 0.00 -0.00 0.00 0.00 56.10 58.02 2kuf s TRP 583 Cb -0.19 -2.93 -0.26 0.00 -0.00 0.00 0.00 33.47 30.10 2kuf s TRP 583 CO 0.70 -0.08 0.68 -2.37 -0.00 0.00 0.00 176.95 175.88 2kuf n THR 584 N 4.27 0.03 -1.48 5.86 5.66 -1.26 -4.81 114.28 122.55 2kuf n THR 584 Ca 0.02 -0.31 -0.23 0.00 -3.05 0.00 0.00 64.05 60.48 2kuf n THR 584 Cb 0.50 0.33 0.17 0.00 -1.55 0.00 0.00 70.33 69.78 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kuf n GLY 585 N 1.35 -1.78 3.56 1.09 0.00 -0.88 -5.07 105.19 103.45 2kuf n GLY 585 Ca -0.01 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 2kuf n GLY 585 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kuf s MET 586 N -5.13 2.26 -0.11 1.61 1.75 -1.26 -4.99 119.30 113.43 2kuf s MET 586 Ca 0.57 -0.91 -0.23 0.00 -1.25 0.00 0.00 55.69 53.86 2kuf s MET 586 Cb -0.03 -2.35 -0.03 0.00 2.84 0.00 0.00 34.83 35.26 2kuf s MET 586 CO 0.41 0.54 0.70 -1.17 -0.65 0.00 0.00 175.02 174.85 2kuf s LEU 587 N -1.81 4.26 -0.29 4.11 0.20 -1.26 -4.05 118.68 119.85 2kuf s LEU 587 Ca 0.19 1.11 -0.11 0.00 0.69 0.00 0.00 54.13 56.00 2kuf s LEU 587 Cb -0.11 -3.06 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 2kuf s LEU 587 CO 0.10 -0.18 0.20 -0.62 -0.29 0.00 0.00 176.35 175.56 2kuf s ASP 588 N 0.91 6.02 -0.16 3.68 2.15 -0.28 -5.02 116.67 123.98 2kuf s ASP 588 Ca 0.36 -0.09 -0.07 0.00 0.43 0.00 0.00 52.55 53.17 2kuf s ASP 588 Cb -0.17 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 2kuf s ASP 588 CO 0.16 -0.09 0.09 -1.59 -0.17 0.00 0.00 175.17 173.57 2kuf s LYS 589 N 1.75 3.76 0.00 4.34 0.00 -1.26 -0.88 119.74 127.44 2kuf s LYS 589 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 55.76 2kuf s LYS 589 Cb -0.16 -3.19 0.00 0.00 0.00 0.00 0.00 37.83 34.48 2kuf s LYS 589 CO 0.11 0.46 0.00 0.41 0.00 0.00 0.00 175.35 176.33 2kuf n GLY 590 N 2.96 1.43 2.98 0.59 0.00 0.45 -4.93 105.19 108.67 2kuf n GLY 590 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2kuf n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kuf s ALA 591 N -3.97 0.32 -0.17 4.61 0.00 -1.26 -5.05 121.76 116.24 2kuf s ALA 591 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 2kuf s ALA 591 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2kuf s ALA 591 CO 0.00 -0.02 0.67 -0.51 0.00 0.00 0.00 175.76 175.90 2kuf s ASP 592 N -0.91 6.77 -0.21 0.00 1.11 -1.26 -3.17 116.67 119.00 2kuf s ASP 592 Ca -0.07 0.94 -0.07 0.00 0.18 0.00 0.00 52.55 53.52 2kuf s ASP 592 Cb -0.06 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2kuf s ASP 592 CO -0.00 -0.26 0.07 -0.69 1.18 0.00 0.00 175.17 175.47 2kuf s VAL 593 N 1.75 4.64 -0.49 -1.27 1.01 -0.20 -4.80 120.40 121.04 2kuf s VAL 593 Ca 0.31 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 2kuf s VAL 593 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2kuf s VAL 593 CO 0.12 0.41 1.55 -0.62 0.00 0.00 0.00 175.10 176.55 2kuf s ASP 594 N 0.85 6.01 -0.00 3.32 2.15 -1.26 -0.54 116.67 127.20 2kuf s ASP 594 Ca 0.04 0.60 0.07 0.00 0.43 0.00 0.00 52.55 53.69 2kuf s ASP 594 Cb -0.14 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.86 2kuf s ASP 594 CO 0.02 -1.74 0.26 0.00 -0.17 0.00 0.00 175.17 173.54 2kuf n ALA 595 N 9.98 2.75 0.00 3.66 0.00 -1.26 -4.94 120.51 130.70 2kuf n ALA 595 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kuf n ALA 595 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 1.38 3.20 0.33 0.00 0.00 -1.26 -4.66 105.19 104.17 2kuf n GLY 596 Ca 0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 1.10 2.00 -0.02 0.00 -1.96 -1.99 103.07 102.19 2kuf h GLY 597 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2kuf h GLY 597 CO 0.00 0.56 -0.18 0.23 0.00 0.00 0.00 176.54 177.15 2kuf h SER 598 N 1.00 0.00 0.22 0.19 0.87 -2.03 -2.26 113.55 111.54 2kuf h SER 598 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kuf h SER 598 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kuf h SER 598 CO -0.02 0.18 -0.12 0.00 -0.53 0.00 0.00 176.83 176.35 2kuf n GLN 599 N -3.29 0.96 -0.93 2.24 1.13 -0.77 -5.02 117.38 111.70 2kuf n GLN 599 Ca 0.01 -0.44 0.09 0.00 -1.94 0.00 0.00 57.00 54.72 2kuf n GLN 599 Cb 0.44 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.25 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 -0.64 -2.52 -2.53 1.08 8.25 -0.85 -4.63 115.22 113.38 2kuf n HIS 600 Ca 0.16 1.39 -0.42 0.00 -0.26 0.00 0.00 57.72 58.58 2kuf n HIS 600 Cb 0.30 -2.29 0.01 0.00 1.12 0.00 0.00 29.99 29.12 2kuf n HIS 600 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2kuf n ASN 601 N -3.25 6.05 -4.83 0.41 0.23 -1.26 -4.65 115.26 107.96 2kuf n ASN 601 Ca -0.05 -3.26 -0.35 0.00 -0.53 0.00 0.00 54.58 50.40 2kuf n ASN 601 Cb 0.41 -1.37 -0.06 0.00 -2.08 0.00 0.00 39.78 36.68 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kuf s ARG 602 N -1.20 4.16 0.19 -3.83 1.70 -1.26 -3.28 118.95 115.44 2kuf s ARG 602 Ca 0.38 0.81 -0.33 0.00 -0.47 0.00 0.00 55.73 56.12 2kuf s ARG 602 Cb 0.10 -2.69 -0.13 0.00 -0.57 0.00 0.00 34.95 31.66 2kuf s ARG 602 CO 0.02 0.29 1.66 0.28 -1.08 0.00 0.00 175.30 176.47 2kuf n VAL 603 N 0.27 0.02 -0.02 4.99 0.31 0.75 -1.00 118.33 123.65 2kuf n VAL 603 Ca 0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2kuf n VAL 603 Cb 0.52 -1.79 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 2kuf n VAL 603 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2kuf n VAL 604 N 3.70 0.27 -3.67 2.52 0.24 -0.07 -4.17 118.33 117.15 2kuf n VAL 604 Ca 0.16 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2kuf n VAL 604 Cb 0.32 -0.07 -0.09 0.00 -1.47 0.00 0.00 33.84 32.54 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kuf s TYR 605 N -2.78 -0.72 -0.03 6.34 5.04 -1.00 -5.04 117.35 119.17 2kuf s TYR 605 Ca -0.06 1.62 0.05 0.00 -2.44 0.00 0.00 57.07 56.25 2kuf s TYR 605 Cb 0.07 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.69 2kuf s TYR 605 CO 0.57 -0.36 -0.20 1.14 -1.34 0.00 0.00 175.55 175.36 2kuf s GLN 606 N 0.81 1.80 0.02 4.97 -2.07 -1.26 -0.41 119.66 123.51 2kuf s GLN 606 Ca -0.04 -0.70 -0.26 0.00 -1.82 0.00 0.00 55.36 52.54 2kuf s GLN 606 Cb -0.05 -1.64 -0.17 0.00 -1.09 0.00 0.00 33.01 30.06 2kuf s GLN 606 CO -0.06 0.36 1.34 -0.97 -1.32 0.00 0.00 175.29 174.64 2kuf h ASN 607 N 5.92 -0.29 -3.58 12.60 -0.73 -1.76 -3.38 115.58 124.35 2kuf h ASN 607 Ca -0.36 -0.17 -0.64 0.00 1.87 0.00 0.00 56.30 57.00 2kuf h ASN 607 Cb 1.16 0.08 -0.14 0.00 0.27 0.00 0.00 38.32 39.68 2kuf h ASN 607 CO 0.48 0.03 0.08 -2.16 -0.37 0.00 0.00 177.43 175.48 2kuf s PRO 608 N -4.94 3.57 0.77 6.67 0.05 -1.26 -5.07 135.00 134.80 2kuf s PRO 608 Ca -0.15 -0.10 -0.11 0.00 0.05 0.00 0.00 61.00 60.69 2kuf s PRO 608 Cb 0.03 -3.84 0.06 0.00 0.05 0.00 0.00 34.50 30.79 2kuf s PRO 608 CO 0.58 -0.77 1.09 -2.14 0.05 0.00 0.00 177.00 175.82 2kuf s PRO 609 N 2.63 2.28 0.35 0.56 0.02 -1.26 -4.94 135.00 134.63 2kuf s PRO 609 Ca 0.22 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 2kuf s PRO 609 Cb -0.15 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 2kuf s PRO 609 CO 0.15 -1.62 1.46 0.00 -0.33 0.00 0.00 177.00 176.66 2kuf s ALA 610 N -2.91 3.59 0.00 -1.55 0.00 -1.26 -2.07 121.76 117.55 2kuf s ALA 610 Ca 0.61 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2kuf s ALA 610 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kuf s ALA 610 CO 0.56 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kuf n GLY 611 N 0.91 1.68 3.91 0.00 0.00 0.47 -4.98 105.19 107.17 2kuf n GLY 611 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.42 5.02 0.10 2.61 2.01 -0.88 -4.60 115.64 117.47 2kuf s THR 612 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2kuf s THR 612 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2kuf s THR 612 CO 0.00 -0.35 0.96 -0.83 -0.69 0.00 0.00 174.62 173.71 2kuf s GLY 613 N -3.22 3.00 0.02 4.40 0.00 -1.26 -0.70 107.32 109.56 2kuf s GLY 613 Ca 0.44 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.79 2kuf s GLY 613 CO 0.31 1.48 -0.17 -1.34 0.00 0.00 0.00 173.10 173.37 2kuf s VAL 614 N 0.09 1.38 1.00 1.40 -7.23 -0.01 -4.88 120.40 112.15 2kuf s VAL 614 Ca 0.47 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 59.54 2kuf s VAL 614 Cb -0.23 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.53 2kuf s VAL 614 CO 0.30 0.22 -0.00 -0.46 -0.31 0.00 0.00 175.10 174.84 2kuf n ASN 615 N 2.19 -2.85 0.29 4.85 6.94 -1.26 -0.92 115.26 124.50 2kuf n ASN 615 Ca -0.16 0.18 0.16 0.00 -0.02 0.00 0.00 54.58 54.74 2kuf n ASN 615 Cb 0.54 -1.03 0.93 0.00 -2.36 0.00 0.00 39.78 37.86 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2kuf h ARG 616 N -1.56 0.00 -0.00 -3.83 0.11 -1.31 0.31 114.38 108.11 2kuf h ARG 616 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2kuf h ARG 616 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2kuf h ARG 616 CO 0.33 0.00 -0.12 -3.47 0.10 0.00 0.00 179.97 176.81 2kuf n ASP 617 N -3.77 0.17 -0.48 0.08 2.03 -1.26 -4.89 116.55 108.43 2kuf n ASP 617 Ca -0.02 0.13 -0.06 0.00 0.52 0.00 0.00 54.79 55.35 2kuf n ASP 617 Cb 0.12 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kuf n GLY 618 N 1.45 0.76 3.66 0.27 0.00 0.11 -2.08 105.19 109.36 2kuf n GLY 618 Ca 0.08 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.89 3.86 -0.04 -0.61 -1.16 -1.26 -4.89 121.20 115.21 2kuf s ILE 619 Ca 0.00 1.04 0.03 0.00 -0.51 0.00 0.00 60.65 61.21 2kuf s ILE 619 Cb 0.00 -3.68 0.00 0.00 0.61 0.00 0.00 42.46 39.40 2kuf s ILE 619 CO 0.00 -0.10 -0.13 0.27 -2.81 0.00 0.00 174.94 172.17 2kuf s ILE 620 N 3.85 1.15 -0.22 2.00 -5.25 -1.26 -4.87 121.20 116.61 2kuf s ILE 620 Ca 0.66 -0.55 -0.07 0.00 -0.99 0.00 0.00 60.65 59.70 2kuf s ILE 620 Cb -0.29 -1.01 -0.03 0.00 2.95 0.00 0.00 42.46 44.08 2kuf s ILE 620 CO 0.24 0.34 0.06 0.28 -1.79 0.00 0.00 174.94 174.07 2kuf s THR 621 N 0.20 4.51 0.16 8.37 -1.32 -1.26 -1.12 115.64 125.18 2kuf s THR 621 Ca -0.05 -0.12 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2kuf s THR 621 Cb -0.11 -3.07 -0.04 0.00 -1.51 0.00 0.00 72.50 67.77 2kuf s THR 621 CO 0.02 0.39 0.09 -1.48 -2.21 0.00 0.00 174.62 171.43 2kuf s LEU 622 N 1.04 1.49 -0.01 9.08 0.05 -0.06 -1.84 118.68 128.43 2kuf s LEU 622 Ca 0.04 -1.28 0.05 0.00 0.05 0.00 0.00 54.13 52.99 2kuf s LEU 622 Cb -0.14 0.35 -0.01 0.00 -2.05 0.00 0.00 46.19 44.33 2kuf s LEU 622 CO 0.03 -0.78 -0.17 0.00 -0.55 0.00 0.00 176.35 174.88 2kuf s ARG 623 N -4.10 1.33 0.16 1.48 1.70 0.45 -0.41 118.95 119.56 2kuf s ARG 623 Ca 0.30 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.95 2kuf s ARG 623 Cb 0.07 -1.29 -0.04 0.00 -0.57 0.00 0.00 34.95 33.12 2kuf s ARG 623 CO 0.06 0.35 0.09 -0.59 -1.08 0.00 0.00 175.30 174.13 2kuf s PHE 624 N -0.41 0.99 1.42 5.89 -0.71 -1.19 -0.89 117.98 123.08 2kuf s PHE 624 Ca 0.06 -1.30 -0.22 0.00 -1.04 0.00 0.00 56.93 54.44 2kuf s PHE 624 Cb -0.06 -0.52 0.37 0.00 -1.21 0.00 0.00 43.02 41.60 2kuf s PHE 624 CO -0.01 -0.57 0.92 0.20 -1.34 0.00 0.00 175.22 174.42 2kuf s GLY 625 N -3.10 1.41 0.00 1.99 0.00 -0.17 -1.03 107.32 106.42 2kuf s GLY 625 Ca 0.31 -0.67 0.31 0.00 0.00 0.00 0.00 44.72 44.66 2kuf s GLY 625 CO 0.06 0.31 2.11 -0.18 0.00 0.00 0.00 173.10 175.40