#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 3.58 0.00 1.61 0.04 -1.26 -4.95 135.00 134.02 2kuf s PRO 492 Ca 0.00 1.15 0.22 0.00 0.04 0.00 0.00 61.00 62.40 2kuf s PRO 492 Cb 0.00 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 32.63 2kuf s PRO 492 CO 0.00 -0.59 1.18 0.00 0.04 0.00 0.00 177.00 177.63 2kuf n ALA 493 N -1.75 2.50 -2.63 8.56 0.00 -1.26 -4.92 120.51 121.01 2kuf n ALA 493 Ca 0.08 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 2kuf n ALA 493 Cb 0.53 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.82 0.15 0.01 0.00 -4.23 -1.26 -0.41 115.64 108.09 2kuf s THR 494 Ca 0.25 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2kuf s THR 494 Cb 0.18 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 2kuf s THR 494 CO 0.28 -0.70 -0.04 -1.59 -0.54 0.00 0.00 174.62 172.03 2kuf s LYS 495 N -2.44 0.32 0.29 3.99 -2.85 0.94 -4.79 119.74 115.21 2kuf s LYS 495 Ca -0.07 -0.39 -0.28 0.00 -1.00 0.00 0.00 55.97 54.23 2kuf s LYS 495 Cb -0.03 -0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.50 2kuf s LYS 495 CO -0.05 0.03 1.00 -0.51 0.10 0.00 0.00 175.35 175.92 2kuf s ASP 496 N -0.80 7.35 -0.16 0.03 1.01 -1.26 -0.14 116.67 122.71 2kuf s ASP 496 Ca -0.06 2.02 -0.04 0.00 0.71 0.00 0.00 52.55 55.18 2kuf s ASP 496 Cb -0.06 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 2kuf s ASP 496 CO -0.00 -0.06 -0.03 0.27 0.21 0.00 0.00 175.17 175.55 2kuf s ILE 497 N -1.35 3.95 0.74 0.77 -4.36 -0.75 -4.94 121.20 115.26 2kuf s ILE 497 Ca 0.46 -0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 60.40 2kuf s ILE 497 Cb -0.25 -2.73 0.17 0.00 1.25 0.00 0.00 42.46 40.89 2kuf s ILE 497 CO 0.32 0.49 1.01 -0.81 0.24 0.00 0.00 174.94 176.19 2kuf n PRO 498 N 3.50 -0.94 -2.86 0.37 -0.04 -1.26 -0.08 135.00 133.70 2kuf n PRO 498 Ca -0.17 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 2kuf n PRO 498 Cb 0.52 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.94 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kuf s ASP 499 N -4.69 6.61 0.00 3.54 -4.77 -1.26 -4.67 116.67 111.43 2kuf s ASP 499 Ca 0.57 -1.95 0.32 0.00 -3.30 0.00 0.00 52.55 48.19 2kuf s ASP 499 Cb -0.02 -2.43 1.84 0.00 -1.09 0.00 0.00 42.92 41.22 2kuf s ASP 499 CO 0.40 -1.14 2.19 1.33 0.70 0.00 0.00 175.17 178.65 2kuf n VAL 500 N 5.74 0.00 -2.03 2.11 0.24 -1.26 -4.76 118.33 118.36 2kuf n VAL 500 Ca 0.26 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.34 62.16 2kuf n VAL 500 Cb 0.49 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.03 2.22 0.00 2.33 0.00 -1.26 -3.16 121.76 119.85 2kuf s ALA 501 Ca 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2kuf s ALA 501 Cb 0.22 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2kuf s ALA 501 CO 0.37 -3.80 0.00 0.41 0.00 0.00 0.00 175.76 172.74 2kuf n GLY 502 N 5.68 2.16 2.27 0.00 0.00 -1.14 -4.99 105.19 109.17 2kuf n GLY 502 Ca 0.21 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.21 -1.80 1.61 0.00 -1.19 -4.84 117.38 111.37 2kuf n GLN 503 Ca 0.00 -1.59 -0.33 0.00 0.00 0.00 0.00 57.00 55.08 2kuf n GLN 503 Cb 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 30.24 29.90 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 -1.69 3.30 0.18 -0.39 2.01 -1.26 -2.57 115.64 115.22 2kuf s THR 504 Ca 0.39 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.89 2kuf s THR 504 Cb -0.02 -3.13 0.09 0.00 0.01 0.00 0.00 72.50 69.45 2kuf s THR 504 CO 0.26 -0.37 1.71 1.62 -0.69 0.00 0.00 174.62 177.15 2kuf h VAL 505 N 0.10 1.25 -0.69 3.82 3.04 -1.35 0.18 116.25 122.60 2kuf h VAL 505 Ca -0.47 -0.87 0.01 0.00 -1.01 0.00 0.00 66.70 64.36 2kuf h VAL 505 Cb 1.24 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 31.08 2kuf h VAL 505 CO 0.54 0.33 0.45 -0.78 -1.01 0.00 0.00 177.57 177.11 2kuf h ASP 506 N 0.94 0.77 -0.36 3.17 3.58 -1.92 0.14 116.42 122.75 2kuf h ASP 506 Ca 0.21 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.51 2kuf h ASP 506 Cb 0.31 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kuf h ASP 506 CO -0.00 0.55 -0.28 0.58 -2.88 0.00 0.00 179.24 177.21 2kuf h VAL 507 N 0.91 1.29 -0.64 2.25 2.07 -1.83 0.22 116.25 120.52 2kuf h VAL 507 Ca 0.26 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2kuf h VAL 507 Cb -0.08 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2kuf h VAL 507 CO -0.07 0.48 0.39 0.00 0.02 0.00 0.00 177.57 178.38 2kuf h ALA 508 N 0.76 0.84 -0.36 1.67 0.00 -0.08 0.35 119.26 122.44 2kuf h ALA 508 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kuf h ALA 508 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kuf h ALA 508 CO 0.07 0.12 0.08 1.96 0.00 0.00 0.00 179.25 181.48 2kuf h GLN 509 N 0.75 0.59 -0.70 0.00 4.20 -0.29 -0.24 115.11 119.42 2kuf h GLN 509 Ca 0.26 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2kuf h GLN 509 Cb 0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2kuf h GLN 509 CO -0.12 0.64 0.15 0.87 -0.67 0.00 0.00 178.83 179.70 2kuf h LYS 510 N 0.43 1.12 -0.55 1.46 1.79 -0.17 -0.23 116.57 120.42 2kuf h LYS 510 Ca 0.11 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 2kuf h LYS 510 Cb 0.32 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2kuf h LYS 510 CO 0.00 1.00 -0.05 -0.91 -1.08 0.00 0.00 179.45 178.41 2kuf h ASN 511 N 1.06 1.01 -0.33 0.86 2.35 -0.06 0.83 115.58 121.30 2kuf h ASN 511 Ca 0.22 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 2kuf h ASN 511 Cb 0.39 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2kuf h ASN 511 CO 0.01 1.10 -0.34 0.17 -1.65 0.00 0.00 177.43 176.71 2kuf h LEU 512 N 0.90 0.87 -0.82 1.61 8.10 -0.85 -3.19 115.31 121.93 2kuf h LEU 512 Ca 0.15 -0.47 -0.06 0.00 0.11 0.00 0.00 57.88 57.60 2kuf h LEU 512 Cb 0.61 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.56 2kuf h LEU 512 CO 0.04 1.17 0.15 -1.13 -4.11 0.00 0.00 178.44 174.56 2kuf h ASN 513 N 0.59 0.97 0.05 0.17 -0.00 -0.77 0.15 115.58 116.75 2kuf h ASN 513 Ca 0.05 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.30 56.10 2kuf h ASN 513 Cb 0.93 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.98 2kuf h ASN 513 CO 0.08 0.94 -0.13 1.62 -0.00 0.00 0.00 177.43 179.95 2kuf h VAL 514 N 0.98 1.17 -0.26 2.57 3.04 -0.87 0.42 116.25 123.30 2kuf h VAL 514 Ca 0.21 -0.73 -0.06 0.00 -1.01 0.00 0.00 66.70 65.10 2kuf h VAL 514 Cb 0.36 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.82 2kuf h VAL 514 CO 0.00 0.23 -0.02 -1.22 -1.01 0.00 0.00 177.57 175.54 2kuf n TYR 515 N -4.29 0.89 0.11 3.17 4.01 -0.85 -4.74 117.16 115.46 2kuf n TYR 515 Ca -0.01 -1.14 0.00 0.00 -0.16 0.00 0.00 57.90 56.59 2kuf n TYR 515 Cb 0.26 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.82 -0.57 2.34 2.72 0.00 0.48 -5.00 105.19 104.34 2kuf n GLY 516 Ca 0.25 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.11 -0.45 -1.76 1.61 3.72 0.14 -4.99 117.46 112.63 2kuf n PHE 517 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2kuf n PHE 517 Cb 0.00 -2.95 0.11 0.00 -0.94 0.00 0.00 39.48 35.70 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 -3.48 0.00 -4.38 4.37 -2.24 -1.26 -5.00 114.28 102.29 2kuf n THR 518 Ca -0.17 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 2kuf n THR 518 Cb 0.58 -1.57 -0.10 0.00 -2.10 0.00 0.00 70.33 67.15 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 -4.53 2.79 0.06 -0.78 3.01 -1.20 -4.91 119.74 114.18 2kuf s LYS 519 Ca 0.43 -0.57 0.05 0.00 -1.01 0.00 0.00 55.97 54.87 2kuf s LYS 519 Cb -0.01 -2.66 -0.03 0.00 -1.01 0.00 0.00 37.83 34.12 2kuf s LYS 519 CO 0.30 0.64 -0.14 -0.59 0.51 0.00 0.00 175.35 176.07 2kuf s PHE 520 N -0.99 1.24 -0.00 3.18 -0.12 -1.26 -0.18 117.98 119.84 2kuf s PHE 520 Ca 0.17 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 2kuf s PHE 520 Cb -0.11 -0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 41.57 2kuf s PHE 520 CO 0.07 0.06 -0.02 -1.12 -0.05 0.00 0.00 175.22 174.15 2kuf s SER 521 N -1.57 0.26 -0.04 1.98 0.01 0.13 -4.90 113.70 109.56 2kuf s SER 521 Ca -0.01 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.27 2kuf s SER 521 Cb -0.09 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2kuf s SER 521 CO 0.02 0.03 -0.22 0.00 0.41 0.00 0.00 173.24 173.48 2kuf s GLN 522 N -0.05 2.36 -0.04 12.44 -2.07 -1.26 -0.14 119.66 130.91 2kuf s GLN 522 Ca 0.01 -0.85 0.01 0.00 -1.82 0.00 0.00 55.36 52.71 2kuf s GLN 522 Cb -0.01 -2.18 0.02 0.00 -1.09 0.00 0.00 33.01 29.75 2kuf s GLN 522 CO -0.00 0.53 -0.04 0.00 -1.32 0.00 0.00 175.29 174.46 2kuf s ALA 523 N -0.52 0.60 -0.10 2.60 0.00 -0.06 -4.96 121.76 119.31 2kuf s ALA 523 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.80 2kuf s ALA 523 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2kuf s ALA 523 CO 0.01 -0.00 0.60 -1.12 0.00 0.00 0.00 175.76 175.25 2kuf s SER 524 N 0.85 6.83 0.12 0.00 0.01 -1.26 -0.02 113.70 120.23 2kuf s SER 524 Ca -0.11 1.00 0.10 0.00 1.31 0.00 0.00 55.95 58.25 2kuf s SER 524 Cb -0.14 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kuf s SER 524 CO -0.00 -0.09 -0.25 -0.69 0.41 0.00 0.00 173.24 172.62 2kuf s VAL 525 N 0.87 2.06 0.13 3.43 1.01 0.85 -4.92 120.40 123.84 2kuf s VAL 525 Ca 0.32 -1.66 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 2kuf s VAL 525 Cb -0.16 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 2kuf s VAL 525 CO 0.14 0.05 0.89 1.51 0.00 0.00 0.00 175.10 177.70 2kuf s ASP 526 N -1.96 7.46 0.21 3.32 -4.77 -1.26 -0.14 116.67 119.53 2kuf s ASP 526 Ca 0.11 1.74 -0.21 0.00 -3.30 0.00 0.00 52.55 50.90 2kuf s ASP 526 Cb -0.10 -2.56 0.04 0.00 -1.09 0.00 0.00 42.92 39.21 2kuf s ASP 526 CO 0.05 0.03 0.61 -0.44 0.70 0.00 0.00 175.17 176.13 2kuf s SER 527 N -0.41 -0.37 0.29 2.11 0.01 -0.32 -4.85 113.70 110.16 2kuf s SER 527 Ca 0.43 -0.36 0.23 0.00 1.31 0.00 0.00 55.95 57.55 2kuf s SER 527 Cb -0.23 0.64 1.07 0.00 0.21 0.00 0.00 66.02 67.71 2kuf s SER 527 CO 0.28 -1.12 1.69 -2.65 0.41 0.00 0.00 173.24 171.85 2kuf n PRO 528 N -0.39 0.17 -3.21 12.44 -0.02 -1.26 -3.59 135.00 139.14 2kuf n PRO 528 Ca -0.10 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2kuf n PRO 528 Cb 0.62 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 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 -3.43 4.06 0.80 -0.52 3.00 -1.26 -4.88 118.95 116.72 2kuf s ARG 529 Ca 0.01 0.66 -0.14 0.00 0.00 0.00 0.00 55.73 56.26 2kuf s ARG 529 Cb 0.08 -2.73 0.06 0.00 0.00 0.00 0.00 34.95 32.36 2kuf s ARG 529 CO 0.30 0.33 1.11 -2.30 0.00 0.00 0.00 175.30 174.75 2kuf n PRO 530 N 0.32 0.23 -2.04 3.54 -0.02 -1.26 -2.72 135.00 133.06 2kuf n PRO 530 Ca -0.01 0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 2kuf n PRO 530 Cb 0.52 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 531 N -2.07 2.93 0.00 3.55 0.00 -1.21 -2.62 121.76 122.34 2kuf s ALA 531 Ca 0.73 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2kuf s ALA 531 Cb -0.30 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2kuf s ALA 531 CO 0.51 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 174.15 2kuf n GLY 532 N 5.32 1.19 3.76 0.00 0.00 -0.97 -4.94 105.19 109.56 2kuf n GLY 532 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 4.63 -0.36 1.61 2.12 -1.08 -0.99 118.70 124.64 2kuf s GLU 533 Ca 0.00 1.24 -0.24 0.00 0.36 0.00 0.00 54.97 56.33 2kuf s GLU 533 Cb 0.00 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.10 2kuf s GLU 533 CO 0.00 0.46 0.83 0.54 -0.54 0.00 0.00 175.26 176.55 2kuf s VAL 534 N -0.78 4.69 0.36 3.70 0.11 -1.06 -0.60 120.40 126.82 2kuf s VAL 534 Ca 0.39 1.03 0.08 0.00 -2.93 0.00 0.00 61.98 60.55 2kuf s VAL 534 Cb -0.23 -4.24 0.14 0.00 -1.53 0.00 0.00 36.38 30.51 2kuf s VAL 534 CO 0.27 -0.44 1.87 0.74 -3.33 0.00 0.00 175.10 174.21 2kuf h THR 535 N 5.75 1.20 0.00 5.04 2.02 -0.80 -3.02 112.91 123.10 2kuf h THR 535 Ca -0.24 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2kuf h THR 535 Cb 1.09 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2kuf h THR 535 CO 0.93 0.29 0.00 0.61 0.37 0.00 0.00 175.52 177.72 2kuf n GLY 536 N -0.75 -0.39 3.53 2.16 0.00 -1.15 -4.74 105.19 103.85 2kuf n GLY 536 Ca -0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.77 2.86 0.04 2.61 -4.23 -1.26 -0.39 115.64 112.50 2kuf s THR 537 Ca 0.00 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 2kuf s THR 537 Cb 0.00 -2.46 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 2kuf s THR 537 CO 0.00 -0.26 1.43 -1.13 -0.54 0.00 0.00 174.62 174.12 2kuf h ASN 538 N 2.53 -0.50 -2.89 3.99 -0.73 -1.61 -3.40 115.58 112.97 2kuf h ASN 538 Ca -0.44 -0.07 -0.54 0.00 1.87 0.00 0.00 56.30 57.13 2kuf h ASN 538 Cb 1.23 0.13 0.01 0.00 0.27 0.00 0.00 38.32 39.96 2kuf h ASN 538 CO 0.56 -0.23 0.84 -2.16 -0.37 0.00 0.00 177.43 176.07 2kuf s PRO 539 N -5.36 4.28 0.73 6.67 0.04 -1.26 -4.99 135.00 135.11 2kuf s PRO 539 Ca -0.15 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 2kuf s PRO 539 Cb 0.03 -3.49 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2kuf s PRO 539 CO 0.58 -0.57 1.17 -1.25 0.04 0.00 0.00 177.00 176.97 2kuf s PRO 540 N 2.08 2.21 0.20 0.56 0.04 -1.26 -4.93 135.00 133.91 2kuf s PRO 540 Ca 0.66 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 63.00 2kuf s PRO 540 Cb -0.35 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2kuf s PRO 540 CO 0.29 -1.75 1.64 0.00 0.04 0.00 0.00 177.00 177.22 2kuf s ALA 541 N -2.19 3.85 0.00 8.56 0.00 -1.26 -2.11 121.76 128.61 2kuf s ALA 541 Ca 0.71 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2kuf s ALA 541 Cb -0.26 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kuf s ALA 541 CO 0.46 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2kuf n GLY 542 N 3.61 0.50 3.75 0.00 0.00 0.89 -4.95 105.19 108.99 2kuf n GLY 542 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.95 -0.18 2.61 2.01 -0.90 -4.82 115.64 117.31 2kuf s THR 543 Ca 0.00 1.31 -0.23 0.00 0.31 0.00 0.00 61.69 63.07 2kuf s THR 543 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2kuf s THR 543 CO 0.00 0.36 0.73 -0.89 -0.69 0.00 0.00 174.62 174.14 2kuf s THR 544 N 0.13 4.95 0.18 -0.82 2.01 -1.26 -1.82 115.64 119.02 2kuf s THR 544 Ca 0.33 1.42 0.10 0.00 0.31 0.00 0.00 61.69 63.84 2kuf s THR 544 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2kuf s THR 544 CO 0.17 0.08 -0.21 0.68 -0.69 0.00 0.00 174.62 174.65 2kuf s VAL 545 N 1.97 2.08 0.32 3.82 -7.23 0.81 -4.84 120.40 117.31 2kuf s VAL 545 Ca 0.34 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 2kuf s VAL 545 Cb -0.16 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.69 2kuf s VAL 545 CO 0.12 -0.24 1.41 -2.84 -0.31 0.00 0.00 175.10 173.24 2kuf s PRO 546 N -2.78 4.25 0.62 4.82 0.02 -1.26 -0.04 135.00 140.63 2kuf s PRO 546 Ca 0.19 2.36 0.40 0.00 0.02 0.00 0.00 61.00 63.97 2kuf s PRO 546 Cb -0.07 -3.05 1.99 0.00 0.02 0.00 0.00 34.50 33.39 2kuf s PRO 546 CO 0.08 -0.37 2.21 -0.24 -0.33 0.00 0.00 177.00 178.35 2kuf h VAL 547 N 3.18 0.00 -0.00 3.83 3.04 -1.04 -0.93 116.25 124.33 2kuf h VAL 547 Ca -0.48 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2kuf h VAL 547 Cb 1.23 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2kuf h VAL 547 CO 0.69 0.00 -0.47 -0.67 -1.01 0.00 0.00 177.57 176.12 2kuf n ASP 548 N -3.08 0.74 -3.40 3.17 2.03 -1.26 -4.35 116.55 110.40 2kuf n ASP 548 Ca -0.01 -0.53 -0.14 0.00 0.52 0.00 0.00 54.79 54.62 2kuf n ASP 548 Cb 0.17 0.28 0.08 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.21 0.63 -4.32 1.67 2.88 -0.36 -4.90 113.62 108.02 2kuf n SER 549 Ca 0.07 -1.58 -0.32 0.00 -1.33 0.00 0.00 58.87 55.72 2kuf n SER 549 Cb 0.34 -0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.90 2.24 -0.15 2.46 0.11 -1.26 -3.25 120.40 118.64 2kuf s VAL 550 Ca 0.40 -1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.31 2kuf s VAL 550 Cb -0.02 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 2kuf s VAL 550 CO 0.27 0.58 0.23 -0.63 -3.33 0.00 0.00 175.10 172.22 2kuf s ILE 551 N -0.40 5.34 -0.31 7.04 1.01 0.75 -4.97 121.20 129.65 2kuf s ILE 551 Ca 0.04 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 2kuf s ILE 551 Cb -0.12 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 2kuf s ILE 551 CO 0.01 0.46 0.17 -0.70 0.00 0.00 0.00 174.94 174.88 2kuf s GLU 552 N 0.06 3.43 -0.19 2.79 2.56 -1.26 -0.69 118.70 125.40 2kuf s GLU 552 Ca 0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 54.97 54.41 2kuf s GLU 552 Cb -0.13 -3.61 -0.02 0.00 2.00 0.00 0.00 34.13 32.36 2kuf s GLU 552 CO 0.03 -0.39 -0.01 -0.51 -0.56 0.00 0.00 175.26 173.81 2kuf s LEU 553 N 1.65 3.24 -0.24 2.70 1.02 0.81 -1.38 118.68 126.47 2kuf s LEU 553 Ca 0.05 -0.19 -0.17 0.00 0.02 0.00 0.00 54.13 53.84 2kuf s LEU 553 Cb -0.17 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2kuf s LEU 553 CO 0.07 0.09 0.47 -1.10 0.02 0.00 0.00 176.35 175.91 2kuf s GLN 554 N 0.86 4.10 -0.12 1.70 1.11 0.48 -0.89 119.66 126.90 2kuf s GLN 554 Ca 0.00 0.27 -0.05 0.00 0.01 0.00 0.00 55.36 55.60 2kuf s GLN 554 Cb -0.14 -3.62 -0.04 0.00 -1.01 0.00 0.00 33.01 28.20 2kuf s GLN 554 CO 0.02 -0.25 0.05 0.08 0.01 0.00 0.00 175.29 175.20 2kuf s VAL 555 N 1.98 4.73 0.09 1.09 1.01 0.97 -0.08 120.40 130.20 2kuf s VAL 555 Ca 0.20 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2kuf s VAL 555 Cb -0.15 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 2kuf s VAL 555 CO 0.09 0.57 0.62 -0.94 0.00 0.00 0.00 175.10 175.44 2kuf s SER 556 N -0.60 7.13 0.01 3.32 1.04 0.23 -0.10 113.70 124.72 2kuf s SER 556 Ca 0.11 1.34 0.02 0.00 0.48 0.00 0.00 55.95 57.90 2kuf s SER 556 Cb -0.12 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2kuf s SER 556 CO 0.02 0.24 -0.01 -1.59 0.98 0.00 0.00 173.24 172.89 2kuf s LYS 557 N -1.03 2.73 0.63 4.02 -2.85 0.80 -2.29 119.74 121.75 2kuf s LYS 557 Ca 0.31 -0.65 0.31 0.00 -1.00 0.00 0.00 55.97 54.94 2kuf s LYS 557 Cb -0.20 -2.63 1.69 0.00 -2.06 0.00 0.00 37.83 34.63 2kuf s LYS 557 CO 0.20 0.61 2.01 0.78 0.10 0.00 0.00 175.35 179.06 2kuf h GLY 558 N 4.30 0.00 0.00 0.59 0.00 -1.65 -0.85 103.07 105.46 2kuf h GLY 558 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kuf h GLY 558 CO 0.57 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.10 2kuf n ASN 559 N -3.30 0.00 -4.61 0.19 2.85 -1.24 -4.47 115.26 104.68 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 0.39 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.14 2.20 0.08 1.20 -0.21 -1.26 -0.05 119.66 121.48 2kuf s GLN 560 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.06 2kuf s GLN 560 Cb 0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 2kuf s GLN 560 CO 0.00 0.40 -0.06 -0.59 -2.12 0.00 0.00 175.29 172.92 2kuf s PHE 561 N -2.03 0.76 -0.19 0.91 -0.12 0.20 -4.88 117.98 112.63 2kuf s PHE 561 Ca 0.29 -0.86 -0.29 0.00 -0.05 0.00 0.00 56.93 56.02 2kuf s PHE 561 Cb -0.08 -0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 2kuf s PHE 561 CO 0.18 -0.18 1.24 0.08 -0.05 0.00 0.00 175.22 176.48 2kuf s VAL 562 N -3.20 4.31 0.08 -2.49 1.01 -1.26 -0.31 120.40 118.54 2kuf s VAL 562 Ca 0.06 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2kuf s VAL 562 Cb 0.02 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2kuf s VAL 562 CO -0.05 -0.19 0.97 -0.32 0.00 0.00 0.00 175.10 175.51 2kuf s MET 563 N 3.56 4.66 1.02 2.72 1.75 -0.36 -4.90 119.30 127.75 2kuf s MET 563 Ca 0.53 1.45 -0.12 0.00 -1.25 0.00 0.00 55.69 56.30 2kuf s MET 563 Cb -0.20 -3.40 0.20 0.00 2.84 0.00 0.00 34.83 34.27 2kuf s MET 563 CO 0.15 0.15 1.09 -1.25 -0.65 0.00 0.00 175.02 174.50 2kuf s PRO 564 N 0.25 0.23 -0.26 4.11 0.04 -1.26 -0.11 135.00 138.00 2kuf s PRO 564 Ca 0.48 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2kuf s PRO 564 Cb -0.23 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2kuf s PRO 564 CO 0.29 -2.87 0.63 0.34 0.04 0.00 0.00 177.00 175.43 2kuf s ASP 565 N -3.36 6.58 -0.00 6.66 2.15 -1.26 -4.49 116.67 122.94 2kuf s ASP 565 Ca 0.66 0.70 0.01 0.00 0.43 0.00 0.00 52.55 54.34 2kuf s ASP 565 Cb -0.19 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2kuf s ASP 565 CO 0.58 -0.38 0.69 0.00 -0.17 0.00 0.00 175.17 175.90 2kuf n LEU 566 N 5.72 0.28 -4.77 -1.34 -0.00 -1.26 -5.12 117.00 110.52 2kuf n LEU 566 Ca -0.00 -0.54 -0.34 0.00 -0.00 0.00 0.00 56.01 55.13 2kuf n LEU 566 Cb 0.49 -0.02 0.04 0.00 -0.00 0.00 0.00 43.42 43.93 2kuf n LEU 566 CO 0.43 0.13 0.76 -0.94 -0.00 0.00 0.00 177.39 177.77 2kuf s SER 567 N -0.44 5.21 0.00 1.45 1.04 -1.26 -4.33 113.70 115.36 2kuf s SER 567 Ca 0.01 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.53 2kuf s SER 567 Cb 0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kuf s SER 567 CO 0.00 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.26 2kuf n GLY 568 N -0.23 0.76 3.33 7.32 0.00 -1.26 -5.07 105.19 110.05 2kuf n GLY 568 Ca 0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.62 1.69 0.34 1.61 0.00 -1.26 -4.84 119.30 114.21 2kuf s MET 569 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 55.69 53.85 2kuf s MET 569 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 34.83 35.15 2kuf s MET 569 CO 0.00 -0.64 0.52 -0.06 0.00 0.00 0.00 175.02 174.84 2kuf s PHE 570 N -3.50 3.45 0.34 3.16 0.40 -1.24 -1.34 117.98 119.25 2kuf s PHE 570 Ca 0.37 0.25 0.08 0.00 -0.60 0.00 0.00 56.93 57.03 2kuf s PHE 570 Cb 0.02 -1.88 0.62 0.00 0.51 0.00 0.00 43.02 42.29 2kuf s PHE 570 CO 0.22 0.13 1.81 2.35 0.70 0.00 0.00 175.22 180.43 2kuf h TRP 571 N 0.80 0.27 0.00 0.36 2.91 -1.90 -1.28 115.95 117.12 2kuf h TRP 571 Ca -0.50 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.47 2kuf h TRP 571 Cb 1.23 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 2kuf h TRP 571 CO 0.49 0.49 0.00 1.33 -1.03 0.00 0.00 178.44 179.72 2kuf n VAL 572 N -4.16 0.60 -0.05 2.65 0.24 -1.26 -1.60 118.33 114.76 2kuf n VAL 572 Ca -0.01 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 2kuf n VAL 572 Cb 0.37 -0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.06 0.27 -0.14 -1.34 -0.08 -0.91 -4.33 116.55 107.95 2kuf n ASP 573 Ca 0.05 0.12 -0.12 0.00 -1.51 0.00 0.00 54.79 53.33 2kuf n ASP 573 Cb 0.33 0.91 -0.01 0.00 2.34 0.00 0.00 41.12 44.69 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kuf h ALA 574 N 1.28 0.62 0.21 -1.67 0.00 -0.25 -2.16 119.26 117.28 2kuf h ALA 574 Ca -0.34 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.17 2kuf h ALA 574 Cb 1.85 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2kuf h ALA 574 CO 0.03 0.65 -0.31 0.93 0.00 0.00 0.00 179.25 180.55 2kuf h GLU 575 N 0.79 -0.57 -0.03 0.00 5.08 -1.57 0.25 114.58 118.53 2kuf h GLU 575 Ca 0.09 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2kuf h GLU 575 Cb 0.86 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kuf h GLU 575 CO 0.08 -0.38 -0.10 -1.00 -1.00 0.00 0.00 179.01 176.60 2kuf h PRO 576 N -0.59 0.05 -0.29 2.33 0.13 -1.77 -2.97 132.00 128.88 2kuf h PRO 576 Ca 0.01 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2kuf h PRO 576 Cb 0.58 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2kuf h PRO 576 CO -0.13 0.16 -0.33 -0.09 -0.23 0.00 0.00 178.00 177.38 2kuf h ARG 577 N 0.05 0.63 -0.29 0.86 9.65 -0.65 -0.90 114.38 123.73 2kuf h ARG 577 Ca 0.01 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 2kuf h ARG 577 Cb 0.22 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2kuf h ARG 577 CO 0.01 0.88 0.07 1.37 2.80 0.00 0.00 179.97 185.10 2kuf h LEU 578 N 0.53 0.44 -1.03 3.80 8.10 -0.38 0.19 115.31 126.96 2kuf h LEU 578 Ca 0.06 -0.23 -0.08 0.00 0.11 0.00 0.00 57.88 57.74 2kuf h LEU 578 Cb 0.83 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 2kuf h LEU 578 CO 0.07 0.55 -0.14 0.08 -4.11 0.00 0.00 178.44 174.89 2kuf h ARG 579 N 0.31 0.53 -0.45 0.17 0.11 -1.54 0.23 114.38 113.74 2kuf h ARG 579 Ca 0.09 -0.16 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 2kuf h ARG 579 Cb 0.28 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2kuf h ARG 579 CO 0.00 0.66 -0.23 0.00 0.10 0.00 0.00 179.97 180.50 2kuf h ALA 580 N 1.37 0.73 -0.00 0.08 0.00 -0.55 -3.07 119.26 117.81 2kuf h ALA 580 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kuf h ALA 580 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kuf h ALA 580 CO 0.03 0.67 -0.58 1.47 0.00 0.00 0.00 179.25 180.84 2kuf n LEU 581 N -4.10 0.64 -0.70 0.00 -0.00 0.61 -4.96 117.00 108.49 2kuf n LEU 581 Ca -0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 55.89 2kuf n LEU 581 Cb 0.46 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2kuf n LEU 581 CO 0.46 0.15 0.01 0.61 -0.00 0.00 0.00 177.39 178.62 2kuf n GLY 582 N 1.49 0.80 3.70 1.47 0.00 0.06 -5.02 105.19 107.69 2kuf n GLY 582 Ca 0.06 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.01 3.56 0.05 1.61 -0.00 0.60 -4.95 118.94 116.80 2kuf s TRP 583 Ca 0.01 1.54 0.09 0.00 -0.00 0.00 0.00 56.10 57.74 2kuf s TRP 583 Cb -0.01 -3.09 -0.20 0.00 -0.00 0.00 0.00 33.47 30.17 2kuf s TRP 583 CO 0.02 -0.12 1.10 1.15 -0.00 0.00 0.00 176.95 179.10 2kuf h THR 584 N 4.97 1.39 -4.37 5.86 2.02 -1.87 -3.44 112.91 117.47 2kuf h THR 584 Ca -0.35 -3.12 -0.27 0.00 0.77 0.00 0.00 66.41 63.44 2kuf h THR 584 Cb 1.18 2.68 0.06 0.00 -1.74 0.00 0.00 68.15 70.32 2kuf h THR 584 CO 0.80 0.79 0.09 0.61 0.37 0.00 0.00 175.52 178.19 2kuf n GLY 585 N 1.40 0.42 3.57 2.16 0.00 -0.46 -5.04 105.19 107.24 2kuf n GLY 585 Ca -0.05 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -4.06 1.94 -0.02 1.61 -1.94 -1.26 -5.00 119.30 110.57 2kuf s MET 586 Ca 0.39 -1.77 -0.26 0.00 -1.71 0.00 0.00 55.69 52.34 2kuf s MET 586 Cb -0.02 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.93 2kuf s MET 586 CO 0.26 0.20 0.80 -0.51 -0.01 0.00 0.00 175.02 175.76 2kuf s LEU 587 N -3.64 4.37 -0.32 -0.03 1.02 -1.26 -4.32 118.68 114.49 2kuf s LEU 587 Ca 0.33 1.39 -0.11 0.00 0.02 0.00 0.00 54.13 55.75 2kuf s LEU 587 Cb -0.01 -3.26 -0.02 0.00 0.02 0.00 0.00 46.19 42.92 2kuf s LEU 587 CO 0.18 -0.12 0.20 -0.62 0.02 0.00 0.00 176.35 176.00 2kuf s ASP 588 N 0.64 5.83 -0.10 2.29 2.15 -0.72 -5.03 116.67 121.73 2kuf s ASP 588 Ca 0.42 -0.41 -0.14 0.00 0.43 0.00 0.00 52.55 52.84 2kuf s ASP 588 Cb -0.19 -2.08 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2kuf s ASP 588 CO 0.22 -0.20 0.34 -1.59 -0.17 0.00 0.00 175.17 173.77 2kuf s LYS 589 N 1.68 4.07 0.00 4.34 0.00 -1.26 -0.78 119.74 127.80 2kuf s LYS 589 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.24 2kuf s LYS 589 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 37.83 34.32 2kuf s LYS 589 CO 0.09 0.43 0.00 0.41 0.00 0.00 0.00 175.35 176.27 2kuf n GLY 590 N 2.73 1.69 3.69 0.59 0.00 0.87 -4.90 105.19 109.86 2kuf n GLY 590 Ca -0.13 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.22 3.49 0.41 4.61 0.00 -1.26 -4.91 121.76 120.87 2kuf s ALA 591 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 2kuf s ALA 591 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 2kuf s ALA 591 CO 0.00 -0.72 1.19 0.16 0.00 0.00 0.00 175.76 176.39 2kuf s ASP 592 N 1.46 6.44 -0.03 0.00 -4.77 -1.26 -4.21 116.67 114.30 2kuf s ASP 592 Ca 0.58 2.38 -0.00 0.00 -3.30 0.00 0.00 52.55 52.21 2kuf s ASP 592 Cb -0.27 -2.62 -0.04 0.00 -1.09 0.00 0.00 42.92 38.91 2kuf s ASP 592 CO 0.24 -0.73 0.02 -0.69 0.70 0.00 0.00 175.17 174.71 2kuf s VAL 593 N -1.41 4.35 -0.49 2.11 1.01 0.84 -4.85 120.40 121.95 2kuf s VAL 593 Ca 0.58 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 2kuf s VAL 593 Cb -0.31 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2kuf s VAL 593 CO 0.39 0.44 1.46 -1.81 0.00 0.00 0.00 175.10 175.59 2kuf s ASP 594 N -1.40 6.14 0.07 3.32 1.01 -1.26 -0.91 116.67 123.64 2kuf s ASP 594 Ca 0.18 0.56 0.00 0.00 0.71 0.00 0.00 52.55 54.00 2kuf s ASP 594 Cb -0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2kuf s ASP 594 CO 0.09 -1.64 0.00 0.00 0.21 0.00 0.00 175.17 173.82 2kuf n ALA 595 N 9.51 3.00 0.00 5.23 0.00 -1.26 -4.97 120.51 132.02 2kuf n ALA 595 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kuf n ALA 595 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 2.60 1.91 0.28 0.00 0.00 -1.26 -4.56 105.19 104.16 2kuf n GLY 596 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 1.11 2.00 -0.02 0.00 -1.93 -0.39 103.07 103.84 2kuf h GLY 597 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2kuf h GLY 597 CO 0.00 0.19 -0.20 0.23 0.00 0.00 0.00 176.54 176.75 2kuf h SER 598 N 0.79 0.00 0.04 0.19 0.87 -2.03 -1.74 113.55 111.67 2kuf h SER 598 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2kuf h SER 598 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2kuf h SER 598 CO -0.19 0.20 -0.12 0.00 -0.53 0.00 0.00 176.83 176.20 2kuf n GLN 599 N -3.53 1.57 -1.46 2.24 6.02 -0.27 -4.99 117.38 116.96 2kuf n GLN 599 Ca -0.01 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 2kuf n GLN 599 Cb 0.36 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kuf n HIS 600 N 0.22 0.00 -2.21 1.08 8.25 -0.52 -4.92 115.22 117.12 2kuf n HIS 600 Ca 0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 2kuf n HIS 600 Cb 0.42 -1.46 -0.04 0.00 1.12 0.00 0.00 29.99 30.03 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 0.00 5.58 0.43 0.41 0.01 -1.22 -4.82 114.94 115.33 2kuf s ASN 601 Ca 0.00 -0.89 0.07 0.00 -0.71 0.00 0.00 52.86 51.34 2kuf s ASN 601 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2kuf s ASN 601 CO 0.00 -2.34 0.36 -0.13 -1.51 0.00 0.00 177.10 173.49 2kuf s ARG 602 N 6.36 2.46 0.24 -0.60 0.52 -1.26 -3.68 118.95 122.99 2kuf s ARG 602 Ca 0.62 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 2kuf s ARG 602 Cb -0.05 -2.30 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 2kuf s ARG 602 CO -0.03 -0.25 1.15 0.54 0.02 0.00 0.00 175.30 176.73 2kuf s VAL 603 N -2.53 3.50 -0.12 3.52 0.11 -0.45 -0.48 120.40 123.95 2kuf s VAL 603 Ca 0.46 1.40 0.12 0.00 -2.93 0.00 0.00 61.98 61.02 2kuf s VAL 603 Cb -0.02 -3.89 -0.16 0.00 -1.53 0.00 0.00 36.38 30.77 2kuf s VAL 603 CO 0.27 0.29 0.07 1.33 -3.33 0.00 0.00 175.10 173.72 2kuf n VAL 604 N 1.71 0.81 -3.67 2.04 0.24 -0.64 -4.60 118.33 114.21 2kuf n VAL 604 Ca 0.01 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 2kuf n VAL 604 Cb 0.45 -0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.37 -0.67 0.01 6.34 5.04 -1.18 -5.05 117.35 119.47 2kuf s TYR 605 Ca -0.06 1.61 0.03 0.00 -2.44 0.00 0.00 57.07 56.21 2kuf s TYR 605 Cb 0.04 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.59 2kuf s TYR 605 CO 0.53 -0.33 -0.10 1.14 -1.34 0.00 0.00 175.55 175.46 2kuf s GLN 606 N 0.42 0.73 0.04 4.97 -2.07 -1.26 -0.40 119.66 122.08 2kuf s GLN 606 Ca -0.01 -0.43 -0.33 0.00 -1.82 0.00 0.00 55.36 52.77 2kuf s GLN 606 Cb -0.04 -0.69 -0.18 0.00 -1.09 0.00 0.00 33.01 31.01 2kuf s GLN 606 CO -0.01 0.18 1.38 -0.97 -1.32 0.00 0.00 175.29 174.56 2kuf h ASN 607 N 5.62 -1.00 -3.56 12.60 -0.73 -1.21 -3.38 115.58 123.92 2kuf h ASN 607 Ca -0.32 0.03 -0.62 0.00 1.87 0.00 0.00 56.30 57.26 2kuf h ASN 607 Cb 1.18 0.26 -0.13 0.00 0.27 0.00 0.00 38.32 39.90 2kuf h ASN 607 CO 0.48 -0.66 0.40 -2.84 -0.37 0.00 0.00 177.43 174.43 2kuf s PRO 608 N -5.42 3.40 0.77 6.67 0.02 -1.26 -5.05 135.00 134.13 2kuf s PRO 608 Ca -0.17 -0.13 -0.11 0.00 0.02 0.00 0.00 61.00 60.61 2kuf s PRO 608 Cb 0.02 -3.96 0.05 0.00 0.02 0.00 0.00 34.50 30.63 2kuf s PRO 608 CO 0.52 -1.19 1.08 -2.14 -0.33 0.00 0.00 177.00 174.95 2kuf s PRO 609 N 3.41 2.31 0.18 5.54 0.02 -1.26 -4.96 135.00 140.23 2kuf s PRO 609 Ca 0.30 1.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.09 2kuf s PRO 609 Cb -0.12 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2kuf s PRO 609 CO 0.22 -1.58 1.39 0.00 -0.33 0.00 0.00 177.00 176.70 2kuf s ALA 610 N -2.95 3.59 0.00 -1.55 0.00 -1.26 -2.02 121.76 117.57 2kuf s ALA 610 Ca 0.61 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2kuf s ALA 610 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2kuf s ALA 610 CO 0.56 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2kuf n GLY 611 N 2.83 0.81 3.96 0.00 0.00 0.84 -4.91 105.19 108.73 2kuf n GLY 611 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.16 5.23 -0.17 2.61 2.01 -0.86 -4.70 115.64 117.60 2kuf s THR 612 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 2kuf s THR 612 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2kuf s THR 612 CO 0.00 -0.31 1.18 -0.83 -0.69 0.00 0.00 174.62 173.97 2kuf s GLY 613 N -3.90 1.72 -0.00 4.40 0.00 -1.26 -1.23 107.32 107.05 2kuf s GLY 613 Ca 0.34 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.48 2kuf s GLY 613 CO 0.29 2.36 -0.10 -1.34 0.00 0.00 0.00 173.10 174.31 2kuf s VAL 614 N 3.26 3.39 1.11 1.40 -7.23 0.57 -4.81 120.40 118.09 2kuf s VAL 614 Ca 0.51 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.69 2kuf s VAL 614 Cb -0.20 -2.43 0.12 0.00 0.56 0.00 0.00 36.38 34.43 2kuf s VAL 614 CO 0.13 0.43 0.15 -0.46 -0.31 0.00 0.00 175.10 175.04 2kuf n ASN 615 N 1.74 -2.27 0.29 4.85 6.94 -1.26 -0.62 115.26 124.92 2kuf n ASN 615 Ca -0.16 -0.09 0.15 0.00 -0.02 0.00 0.00 54.58 54.46 2kuf n ASN 615 Cb 0.52 -1.01 0.90 0.00 -2.36 0.00 0.00 39.78 37.83 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 -2.10 0.00 -0.00 -3.83 -0.00 -0.83 0.48 114.38 108.09 2kuf h ARG 616 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.44 2kuf h ARG 616 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 2kuf h ARG 616 CO 0.39 0.02 -0.04 -0.25 -0.00 0.00 0.00 179.97 180.09 2kuf n ASP 617 N -3.78 0.06 -0.99 0.08 9.92 -1.26 -4.79 116.55 115.79 2kuf n ASP 617 Ca -0.03 0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 54.41 2kuf n ASP 617 Cb 0.11 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 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 1.35 3.66 0.44 0.00 0.17 -1.35 105.19 110.91 2kuf n GLY 618 Ca 0.08 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.40 4.28 -0.09 -0.61 -1.16 -1.26 -4.88 121.20 115.07 2kuf s ILE 619 Ca 0.00 1.53 0.04 0.00 -0.51 0.00 0.00 60.65 61.71 2kuf s ILE 619 Cb 0.00 -4.03 -0.01 0.00 0.61 0.00 0.00 42.46 39.03 2kuf s ILE 619 CO 0.00 -0.18 -0.21 0.27 -2.81 0.00 0.00 174.94 172.01 2kuf s ILE 620 N 3.61 2.37 -0.20 2.00 -5.25 -1.26 -4.84 121.20 117.63 2kuf s ILE 620 Ca 0.55 -0.93 -0.11 0.00 -0.99 0.00 0.00 60.65 59.17 2kuf s ILE 620 Cb -0.21 -1.92 -0.05 0.00 2.95 0.00 0.00 42.46 43.24 2kuf s ILE 620 CO 0.15 0.56 0.17 0.28 -1.79 0.00 0.00 174.94 174.31 2kuf s THR 621 N 0.13 5.38 0.16 8.37 -1.32 -1.26 -1.75 115.64 125.34 2kuf s THR 621 Ca -0.11 0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.63 2kuf s THR 621 Cb -0.16 -3.51 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 2kuf s THR 621 CO 0.06 0.40 0.07 -1.48 -2.21 0.00 0.00 174.62 171.47 2kuf s LEU 622 N 0.56 1.65 -0.05 9.08 2.34 0.04 -0.54 118.68 131.78 2kuf s LEU 622 Ca 0.10 -1.26 0.04 0.00 0.06 0.00 0.00 54.13 53.07 2kuf s LEU 622 Cb -0.12 0.26 -0.00 0.00 -0.56 0.00 0.00 46.19 45.77 2kuf s LEU 622 CO 0.01 -0.74 -0.17 -0.13 -1.06 0.00 0.00 176.35 174.26 2kuf s ARG 623 N -4.06 1.78 0.15 1.48 0.52 0.46 -0.09 118.95 119.19 2kuf s ARG 623 Ca 0.28 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2kuf s ARG 623 Cb 0.07 -1.54 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 2kuf s ARG 623 CO 0.05 0.22 0.14 -0.59 0.02 0.00 0.00 175.30 175.14 2kuf s PHE 624 N 0.09 0.77 0.18 -0.53 -0.71 -1.26 -1.62 117.98 114.89 2kuf s PHE 624 Ca -0.05 -1.12 -0.31 0.00 -1.04 0.00 0.00 56.93 54.41 2kuf s PHE 624 Cb -0.12 -0.36 -0.10 0.00 -1.21 0.00 0.00 43.02 41.23 2kuf s PHE 624 CO 0.02 -0.60 1.59 0.20 -1.34 0.00 0.00 175.22 175.09 2kuf s GLY 625 N -3.04 1.56 0.00 1.99 0.00 0.37 -0.11 107.32 108.08 2kuf s GLY 625 Ca 0.24 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.38 2kuf s GLY 625 CO 0.03 2.65 0.35 0.61 0.00 0.00 0.00 173.10 176.74