#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 4.34 0.00 1.61 0.02 -1.26 -4.93 135.00 134.78 2kuf s PRO 492 Ca 0.00 1.83 0.26 0.00 0.02 0.00 0.00 61.00 63.11 2kuf s PRO 492 Cb 0.00 -2.91 0.69 0.00 0.02 0.00 0.00 34.50 32.31 2kuf s PRO 492 CO 0.00 -0.07 1.53 0.00 -0.33 0.00 0.00 177.00 178.13 2kuf n ALA 493 N 0.58 3.15 -2.88 -1.55 0.00 -1.26 -4.75 120.51 113.80 2kuf n ALA 493 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 2kuf n ALA 493 Cb 0.46 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.55 0.05 -0.00 0.00 -4.23 -1.26 0.20 115.64 107.85 2kuf s THR 494 Ca 0.23 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2kuf s THR 494 Cb 0.19 -0.07 -0.00 0.00 1.34 0.00 0.00 72.50 73.95 2kuf s THR 494 CO 0.54 -0.07 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.98 2kuf s LYS 495 N -0.25 0.20 0.15 3.99 3.01 0.89 -4.83 119.74 122.91 2kuf s LYS 495 Ca -0.02 -0.08 -0.23 0.00 -1.01 0.00 0.00 55.97 54.63 2kuf s LYS 495 Cb -0.02 -0.20 -0.08 0.00 -1.01 0.00 0.00 37.83 36.52 2kuf s LYS 495 CO -0.00 0.05 0.70 0.16 0.51 0.00 0.00 175.35 176.77 2kuf s ASP 496 N -0.02 7.24 -0.11 2.83 -4.77 -1.26 -0.25 116.67 120.33 2kuf s ASP 496 Ca 0.01 1.49 -0.10 0.00 -3.30 0.00 0.00 52.55 50.65 2kuf s ASP 496 Cb -0.01 -2.44 -0.05 0.00 -1.09 0.00 0.00 42.92 39.33 2kuf s ASP 496 CO -0.00 0.20 0.22 0.27 0.70 0.00 0.00 175.17 176.56 2kuf s ILE 497 N -1.19 5.37 0.82 2.11 -4.36 -0.46 -4.90 121.20 118.58 2kuf s ILE 497 Ca 0.35 0.39 -0.12 0.00 -0.26 0.00 0.00 60.65 61.00 2kuf s ILE 497 Cb -0.21 -3.51 0.18 0.00 1.25 0.00 0.00 42.46 40.17 2kuf s ILE 497 CO 0.23 0.55 1.11 -0.81 0.24 0.00 0.00 174.94 176.26 2kuf n PRO 498 N 2.44 -0.96 -2.81 0.37 -0.04 -1.26 0.22 135.00 132.96 2kuf n PRO 498 Ca -0.17 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 60.99 2kuf n PRO 498 Cb 0.54 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.87 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 -5.12 6.86 -0.04 3.54 -4.77 -1.26 -4.69 116.67 111.20 2kuf s ASP 499 Ca 0.64 1.01 0.12 0.00 -3.30 0.00 0.00 52.55 51.03 2kuf s ASP 499 Cb -0.02 -2.47 0.37 0.00 -1.09 0.00 0.00 42.92 39.71 2kuf s ASP 499 CO 0.45 -0.64 1.30 1.33 0.70 0.00 0.00 175.17 178.31 2kuf n VAL 500 N 5.45 1.29 -2.58 2.11 0.24 -1.26 -4.91 118.33 118.68 2kuf n VAL 500 Ca 0.08 -1.19 -0.41 0.00 -2.04 0.00 0.00 64.34 60.77 2kuf n VAL 500 Cb 0.47 0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 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 2.80 0.00 2.33 0.00 -1.26 -3.39 121.76 120.83 2kuf s ALA 501 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kuf s ALA 501 Cb 0.17 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2kuf s ALA 501 CO 0.15 -3.18 0.00 0.41 0.00 0.00 0.00 175.76 173.13 2kuf n GLY 502 N 5.34 1.07 3.99 0.00 0.00 -0.35 -4.95 105.19 110.30 2kuf n GLY 502 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2kuf n GLY 502 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kuf s GLN 503 N 0.00 1.69 0.63 1.61 1.11 -1.22 -4.82 119.66 118.65 2kuf s GLN 503 Ca 0.00 -1.08 -0.14 0.00 0.01 0.00 0.00 55.36 54.14 2kuf s GLN 503 Cb 0.00 -2.32 -0.02 0.00 -1.01 0.00 0.00 33.01 29.65 2kuf s GLN 503 CO 0.00 -1.44 1.06 0.99 0.01 0.00 0.00 175.29 175.91 2kuf s THR 504 N -3.15 3.84 0.19 -0.19 2.01 -1.26 -1.00 115.64 116.08 2kuf s THR 504 Ca 0.66 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 2kuf s THR 504 Cb -0.05 -3.37 0.11 0.00 0.01 0.00 0.00 72.50 69.20 2kuf s THR 504 CO 0.44 -0.59 1.78 1.62 -0.69 0.00 0.00 174.62 177.19 2kuf h VAL 505 N 0.09 0.92 -0.84 3.82 3.04 -0.01 0.44 116.25 123.71 2kuf h VAL 505 Ca -0.46 -0.19 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 2kuf h VAL 505 Cb 1.22 0.34 -0.04 0.00 -2.01 0.00 0.00 31.29 30.79 2kuf h VAL 505 CO 0.57 0.10 0.42 -0.78 -1.01 0.00 0.00 177.57 176.87 2kuf h ASP 506 N 0.54 1.09 -0.25 3.17 3.58 -1.93 0.12 116.42 122.74 2kuf h ASP 506 Ca 0.26 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 2kuf h ASP 506 Cb 0.20 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2kuf h ASP 506 CO -0.19 0.91 -0.16 0.58 -2.88 0.00 0.00 179.24 177.50 2kuf h VAL 507 N 1.20 1.31 -0.37 2.25 2.07 -1.67 -0.34 116.25 120.69 2kuf h VAL 507 Ca 0.29 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2kuf h VAL 507 Cb 0.10 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2kuf h VAL 507 CO -0.04 0.40 0.13 0.00 0.02 0.00 0.00 177.57 178.08 2kuf h ALA 508 N 0.71 0.48 -0.30 1.67 0.00 0.18 0.22 119.26 122.22 2kuf h ALA 508 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kuf h ALA 508 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kuf h ALA 508 CO 0.04 0.10 0.05 1.96 0.00 0.00 0.00 179.25 181.41 2kuf h GLN 509 N 0.45 0.49 -0.47 0.00 4.20 -0.68 0.14 115.11 119.23 2kuf h GLN 509 Ca 0.12 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2kuf h GLN 509 Cb 0.22 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2kuf h GLN 509 CO -0.01 0.59 -0.14 1.57 -0.67 0.00 0.00 178.83 180.17 2kuf h LYS 510 N 0.32 0.89 -0.04 1.46 2.10 -0.92 -0.69 116.57 119.69 2kuf h LYS 510 Ca 0.09 -0.33 -0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2kuf h LYS 510 Cb 0.33 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2kuf h LYS 510 CO 0.00 0.97 0.02 -0.97 -2.00 0.00 0.00 179.45 177.48 2kuf h ASN 511 N 0.79 0.05 -0.02 7.07 -1.24 -0.32 -0.82 115.58 121.10 2kuf h ASN 511 Ca 0.12 -0.04 -0.13 0.00 0.71 0.00 0.00 56.30 56.96 2kuf h ASN 511 Cb 0.67 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 2kuf h ASN 511 CO 0.05 0.08 -0.38 0.17 -1.29 0.00 0.00 177.43 176.05 2kuf h LEU 512 N 0.01 0.55 -1.06 0.34 8.10 -0.90 -2.94 115.31 119.41 2kuf h LEU 512 Ca 0.01 -0.24 0.01 0.00 0.11 0.00 0.00 57.88 57.78 2kuf h LEU 512 Cb 0.04 -0.15 -0.05 0.00 -0.44 0.00 0.00 40.66 40.06 2kuf h LEU 512 CO -0.00 0.88 0.64 -1.13 -4.11 0.00 0.00 178.44 174.71 2kuf h ASN 513 N 0.44 1.10 -0.43 0.17 -0.00 -0.60 0.39 115.58 116.65 2kuf h ASN 513 Ca 0.04 -0.03 0.07 0.00 -0.00 0.00 0.00 56.30 56.38 2kuf h ASN 513 Cb 0.87 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.89 2kuf h ASN 513 CO 0.07 0.79 0.29 0.58 -0.00 0.00 0.00 177.43 179.17 2kuf h VAL 514 N 1.29 0.93 0.00 2.57 2.07 -0.97 0.43 116.25 122.57 2kuf h VAL 514 Ca 0.35 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.55 2kuf h VAL 514 Cb -0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2kuf h VAL 514 CO -0.08 0.05 -2.10 -1.22 0.02 0.00 0.00 177.57 174.24 2kuf n TYR 515 N -4.47 0.18 -0.09 1.57 4.01 -0.76 -4.76 117.16 112.84 2kuf n TYR 515 Ca 0.06 0.06 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 2kuf n TYR 515 Cb 0.29 -0.86 -0.04 0.00 -0.31 0.00 0.00 39.34 38.41 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N 1.54 -0.49 2.31 2.72 0.00 0.13 -4.92 105.19 106.48 2kuf n GLY 516 Ca -0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.35 -0.73 -1.55 1.61 3.72 0.14 -4.85 117.46 111.45 2kuf n PHE 517 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2kuf n PHE 517 Cb 0.56 -3.25 0.00 0.00 -0.94 0.00 0.00 39.48 35.85 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 -3.95 0.00 -4.31 4.37 -2.24 -1.26 -4.89 114.28 102.00 2kuf n THR 518 Ca -0.19 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 2kuf n THR 518 Cb 0.64 -1.55 -0.09 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.20 2.84 0.08 -0.78 3.01 -0.69 -5.00 119.74 118.00 2kuf s LYS 519 Ca 0.00 -0.56 0.04 0.00 -1.01 0.00 0.00 55.97 54.45 2kuf s LYS 519 Cb 0.00 -2.70 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 2kuf s LYS 519 CO 0.00 0.64 -0.12 -0.59 0.51 0.00 0.00 175.35 175.79 2kuf s PHE 520 N -1.04 1.12 0.11 3.18 -0.12 -1.26 -0.03 117.98 119.94 2kuf s PHE 520 Ca 0.18 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.58 2kuf s PHE 520 Cb -0.11 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2kuf s PHE 520 CO 0.08 0.03 -0.10 -1.12 -0.05 0.00 0.00 175.22 174.07 2kuf s SER 521 N -1.96 1.50 0.03 1.98 0.01 0.75 -4.87 113.70 111.14 2kuf s SER 521 Ca -0.00 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.44 2kuf s SER 521 Cb -0.08 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2kuf s SER 521 CO 0.02 -0.29 -0.15 0.00 0.41 0.00 0.00 173.24 173.23 2kuf s GLN 522 N -3.06 1.01 -0.04 12.44 -2.07 -1.26 -0.04 119.66 126.65 2kuf s GLN 522 Ca 0.08 -0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 52.88 2kuf s GLN 522 Cb -0.01 -1.02 0.03 0.00 -1.09 0.00 0.00 33.01 30.92 2kuf s GLN 522 CO -0.00 0.26 0.01 0.00 -1.32 0.00 0.00 175.29 174.23 2kuf s ALA 523 N -0.77 0.36 -0.23 2.60 0.00 0.36 -4.91 121.76 119.16 2kuf s ALA 523 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 2kuf s ALA 523 Cb -0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2kuf s ALA 523 CO 0.01 -0.18 0.19 -1.12 0.00 0.00 0.00 175.76 174.66 2kuf s SER 524 N 1.29 6.16 0.14 0.00 0.01 -1.26 -0.01 113.70 120.03 2kuf s SER 524 Ca -0.06 0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.47 2kuf s SER 524 Cb -0.13 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2kuf s SER 524 CO -0.02 0.05 -0.24 -0.69 0.41 0.00 0.00 173.24 172.75 2kuf s VAL 525 N 1.06 2.10 0.23 3.43 1.01 0.38 -4.88 120.40 123.72 2kuf s VAL 525 Ca 0.09 -1.78 -0.30 0.00 0.00 0.00 0.00 61.98 59.99 2kuf s VAL 525 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2kuf s VAL 525 CO 0.05 -0.03 1.30 1.51 0.00 0.00 0.00 175.10 177.93 2kuf s ASP 526 N -2.21 6.89 0.27 3.32 -4.77 -1.26 -0.61 116.67 118.30 2kuf s ASP 526 Ca 0.14 2.45 -0.16 0.00 -3.30 0.00 0.00 52.55 51.67 2kuf s ASP 526 Cb -0.09 -2.62 0.01 0.00 -1.09 0.00 0.00 42.92 39.13 2kuf s ASP 526 CO 0.06 -0.51 0.59 -0.44 0.70 0.00 0.00 175.17 175.57 2kuf s SER 527 N 0.14 -0.14 0.36 2.11 0.01 0.37 -4.82 113.70 111.73 2kuf s SER 527 Ca 0.55 -0.81 0.27 0.00 1.31 0.00 0.00 55.95 57.26 2kuf s SER 527 Cb -0.37 0.66 1.00 0.00 0.21 0.00 0.00 66.02 67.52 2kuf s SER 527 CO 0.41 -1.25 1.79 -0.65 0.41 0.00 0.00 173.24 173.96 2kuf h PRO 528 N 2.14 0.00 -6.34 12.44 0.11 -1.86 -3.35 132.00 135.13 2kuf h PRO 528 Ca -0.23 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.32 2kuf h PRO 528 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2kuf h PRO 528 CO 0.30 0.00 -0.17 1.03 -0.21 0.00 0.00 178.00 178.95 2kuf s ARG 529 N -3.37 3.76 0.56 1.05 3.00 -1.26 -4.88 118.95 117.80 2kuf s ARG 529 Ca 0.05 0.18 -0.20 0.00 0.00 0.00 0.00 55.73 55.76 2kuf s ARG 529 Cb 0.09 -2.73 -0.05 0.00 0.00 0.00 0.00 34.95 32.26 2kuf s ARG 529 CO 0.50 0.38 1.15 -2.30 0.00 0.00 0.00 175.30 175.03 2kuf n PRO 530 N 0.03 1.27 -1.65 3.54 -0.02 -1.26 -2.48 135.00 134.42 2kuf n PRO 530 Ca -0.01 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 2kuf n PRO 530 Cb 0.52 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.39 2.11 0.00 3.55 0.00 -1.20 -2.31 121.76 122.52 2kuf s ALA 531 Ca 0.73 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2kuf s ALA 531 Cb -0.43 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.45 2kuf s ALA 531 CO 0.48 -3.77 0.00 0.41 0.00 0.00 0.00 175.76 172.89 2kuf n GLY 532 N 5.86 0.55 3.78 0.00 0.00 -0.74 -4.94 105.19 109.70 2kuf n GLY 532 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 4.60 -0.33 1.61 2.12 -0.98 0.71 118.70 126.43 2kuf s GLU 533 Ca 0.00 1.25 -0.18 0.00 0.36 0.00 0.00 54.97 56.39 2kuf s GLU 533 Cb 0.00 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 2kuf s GLU 533 CO 0.00 0.46 0.52 0.08 -0.54 0.00 0.00 175.26 175.78 2kuf s VAL 534 N -1.33 5.02 -0.50 3.70 1.01 -0.17 0.39 120.40 128.52 2kuf s VAL 534 Ca 0.42 0.45 0.24 0.00 0.00 0.00 0.00 61.98 63.08 2kuf s VAL 534 Cb -0.22 -3.94 0.20 0.00 0.00 0.00 0.00 36.38 32.41 2kuf s VAL 534 CO 0.26 -0.17 1.47 0.71 0.00 0.00 0.00 175.10 177.37 2kuf h THR 535 N 5.58 0.00 0.00 3.92 1.35 -1.58 -0.91 112.91 121.27 2kuf h THR 535 Ca -0.28 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2kuf h THR 535 Cb 1.13 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2kuf h THR 535 CO 0.76 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2kuf n GLY 536 N 1.21 0.31 3.48 5.82 0.00 -1.22 -4.76 105.19 110.04 2kuf n GLY 536 Ca 0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.00 2.72 0.01 2.61 -4.23 -1.26 -0.24 115.64 113.25 2kuf s THR 537 Ca 0.00 -1.77 -0.25 0.00 -1.18 0.00 0.00 61.69 58.49 2kuf s THR 537 Cb 0.00 -2.30 -0.19 0.00 1.34 0.00 0.00 72.50 71.36 2kuf s THR 537 CO 0.00 -0.04 1.37 -1.13 -0.54 0.00 0.00 174.62 174.27 2kuf h ASN 538 N 3.30 -0.05 -2.89 3.99 -1.24 -1.85 -3.40 115.58 113.44 2kuf h ASN 538 Ca -0.48 -0.34 -0.53 0.00 0.71 0.00 0.00 56.30 55.66 2kuf h ASN 538 Cb 1.19 0.01 0.02 0.00 0.73 0.00 0.00 38.32 40.28 2kuf h ASN 538 CO 0.49 0.32 0.83 -2.84 -1.29 0.00 0.00 177.43 174.93 2kuf s PRO 539 N -4.73 4.27 0.73 6.67 0.02 -1.26 -4.98 135.00 135.70 2kuf s PRO 539 Ca -0.15 2.14 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 2kuf s PRO 539 Cb 0.03 -3.39 0.03 0.00 0.02 0.00 0.00 34.50 31.19 2kuf s PRO 539 CO 0.65 -0.56 1.11 -1.25 -0.33 0.00 0.00 177.00 176.62 2kuf s PRO 540 N 1.76 2.44 0.28 5.54 0.04 -1.26 -4.96 135.00 138.83 2kuf s PRO 540 Ca 0.67 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2kuf s PRO 540 Cb -0.37 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2kuf s PRO 540 CO 0.30 -1.52 1.46 0.00 0.04 0.00 0.00 177.00 177.27 2kuf s ALA 541 N -2.58 3.63 0.00 8.56 0.00 -1.26 -2.27 121.76 127.83 2kuf s ALA 541 Ca 0.65 1.39 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2kuf s ALA 541 Cb -0.20 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2kuf s ALA 541 CO 0.49 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2kuf n GLY 542 N 1.86 0.47 3.70 0.00 0.00 0.13 -4.98 105.19 106.37 2kuf n GLY 542 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.12 4.55 -0.19 2.61 2.01 -0.96 -4.67 115.64 116.87 2kuf s THR 543 Ca 0.00 1.83 -0.22 0.00 0.31 0.00 0.00 61.69 63.61 2kuf s THR 543 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2kuf s THR 543 CO 0.00 0.08 0.69 -0.89 -0.69 0.00 0.00 174.62 173.81 2kuf s THR 544 N 1.49 4.98 0.21 -0.82 2.01 -1.26 -1.36 115.64 120.89 2kuf s THR 544 Ca 0.53 1.32 0.09 0.00 0.31 0.00 0.00 61.69 63.95 2kuf s THR 544 Cb -0.23 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2kuf s THR 544 CO 0.25 0.09 -0.18 0.68 -0.69 0.00 0.00 174.62 174.76 2kuf s VAL 545 N 1.96 2.01 0.37 3.82 -7.23 0.66 -4.89 120.40 117.10 2kuf s VAL 545 Ca 0.32 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 2kuf s VAL 545 Cb -0.16 -2.04 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 2kuf s VAL 545 CO 0.11 -0.39 1.38 -2.84 -0.31 0.00 0.00 175.10 173.05 2kuf s PRO 546 N -3.19 4.15 0.59 4.82 0.02 -1.26 -0.08 135.00 140.05 2kuf s PRO 546 Ca 0.21 2.35 0.29 0.00 0.02 0.00 0.00 61.00 63.87 2kuf s PRO 546 Cb -0.04 -2.95 1.66 0.00 0.02 0.00 0.00 34.50 33.19 2kuf s PRO 546 CO 0.09 -0.41 2.10 -0.24 -0.33 0.00 0.00 177.00 178.21 2kuf h VAL 547 N 2.86 0.47 0.00 3.83 3.04 -0.54 -0.06 116.25 125.85 2kuf h VAL 547 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2kuf h VAL 547 Cb 1.24 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2kuf h VAL 547 CO 0.64 0.00 -0.23 -0.78 -1.01 0.00 0.00 177.57 176.19 2kuf h ASP 548 N 0.00 0.00 -3.55 3.17 3.58 -1.90 -3.35 116.42 114.37 2kuf h ASP 548 Ca 0.08 -0.07 -0.45 0.00 0.42 0.00 0.00 57.03 57.01 2kuf h ASP 548 Cb 0.48 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.67 2kuf h ASP 548 CO -0.00 0.04 0.35 -0.94 -2.88 0.00 0.00 179.24 175.80 2kuf s SER 549 N -4.50 3.40 -0.05 2.28 1.04 -0.04 -4.71 113.70 111.12 2kuf s SER 549 Ca 0.09 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.67 2kuf s SER 549 Cb 0.12 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 2kuf s SER 549 CO 0.65 -2.53 -0.20 0.54 0.98 0.00 0.00 173.24 172.68 2kuf s VAL 550 N -3.71 2.56 -0.12 5.02 0.11 -1.26 -1.70 120.40 121.30 2kuf s VAL 550 Ca 0.72 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2kuf s VAL 550 Cb -0.04 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 2kuf s VAL 550 CO 0.51 0.58 -0.03 -0.63 -3.33 0.00 0.00 175.10 172.20 2kuf s ILE 551 N -0.47 3.99 -0.24 7.04 1.01 0.96 -4.95 121.20 128.54 2kuf s ILE 551 Ca 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 2kuf s ILE 551 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2kuf s ILE 551 CO 0.01 0.54 0.09 -1.83 0.00 0.00 0.00 174.94 173.75 2kuf s GLU 552 N -0.17 3.80 -0.28 2.79 -1.05 -1.26 -0.18 118.70 122.35 2kuf s GLU 552 Ca 0.04 -0.41 -0.15 0.00 -0.15 0.00 0.00 54.97 54.30 2kuf s GLU 552 Cb -0.13 -3.35 -0.03 0.00 -0.44 0.00 0.00 34.13 30.17 2kuf s GLU 552 CO 0.02 -0.05 0.36 -0.51 0.95 0.00 0.00 175.26 176.03 2kuf s LEU 553 N 1.27 4.09 -0.37 1.83 2.01 0.95 -2.27 118.68 126.19 2kuf s LEU 553 Ca 0.05 0.20 -0.22 0.00 0.01 0.00 0.00 54.13 54.17 2kuf s LEU 553 Cb -0.15 -2.39 0.01 0.00 0.01 0.00 0.00 46.19 43.67 2kuf s LEU 553 CO 0.04 -0.19 0.73 -1.10 1.01 0.00 0.00 176.35 176.84 2kuf s GLN 554 N 2.04 3.67 -0.14 1.70 1.11 0.67 -0.49 119.66 128.22 2kuf s GLN 554 Ca 0.14 0.15 -0.15 0.00 0.01 0.00 0.00 55.36 55.51 2kuf s GLN 554 Cb -0.16 -3.83 -0.05 0.00 -1.01 0.00 0.00 33.01 27.97 2kuf s GLN 554 CO 0.10 -0.85 0.34 0.08 0.01 0.00 0.00 175.29 174.98 2kuf s VAL 555 N 2.98 5.26 -0.26 1.09 1.01 0.98 -1.49 120.40 129.98 2kuf s VAL 555 Ca 0.29 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 2kuf s VAL 555 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2kuf s VAL 555 CO 0.17 0.40 1.19 -0.55 0.00 0.00 0.00 175.10 176.30 2kuf s SER 556 N 0.33 6.89 -0.17 3.32 0.15 0.16 -0.47 113.70 123.91 2kuf s SER 556 Ca 0.19 1.33 -0.09 0.00 0.70 0.00 0.00 55.95 58.09 2kuf s SER 556 Cb -0.14 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 2kuf s SER 556 CO 0.06 -0.87 0.13 -1.59 1.20 0.00 0.00 173.24 172.17 2kuf s LYS 557 N 3.68 3.88 0.54 5.44 -2.85 0.21 -1.79 119.74 128.85 2kuf s LYS 557 Ca 0.51 -0.19 0.29 0.00 -1.00 0.00 0.00 55.97 55.58 2kuf s LYS 557 Cb -0.17 -3.32 1.56 0.00 -2.06 0.00 0.00 37.83 33.85 2kuf s LYS 557 CO 0.16 0.49 2.11 0.78 0.10 0.00 0.00 175.35 179.00 2kuf h GLY 558 N 5.98 0.00 -1.56 0.59 0.00 -1.62 0.11 103.07 106.57 2kuf h GLY 558 Ca -0.47 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.52 2kuf h GLY 558 CO 0.69 0.00 -0.37 -2.01 0.00 0.00 0.00 176.54 174.84 2kuf n ASN 559 N -3.62 -5.03 -4.29 0.19 5.15 -1.26 -4.60 115.26 101.80 2kuf n ASN 559 Ca -0.02 0.22 -0.19 0.00 -0.60 0.00 0.00 54.58 53.98 2kuf n ASN 559 Cb 0.21 -4.07 -0.11 0.00 -0.53 0.00 0.00 39.78 35.27 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kuf s GLN 560 N -4.10 1.15 0.08 1.20 -0.21 -1.26 -1.30 119.66 115.22 2kuf s GLN 560 Ca 0.00 -1.35 0.05 0.00 0.02 0.00 0.00 55.36 54.08 2kuf s GLN 560 Cb 0.00 -1.08 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 2kuf s GLN 560 CO 0.00 0.21 -0.13 -0.59 -2.12 0.00 0.00 175.29 172.66 2kuf s PHE 561 N -2.23 1.17 0.04 0.91 -0.12 0.13 -4.85 117.98 113.04 2kuf s PHE 561 Ca 0.13 -0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 56.21 2kuf s PHE 561 Cb -0.04 -0.65 -0.08 0.00 -0.63 0.00 0.00 43.02 41.61 2kuf s PHE 561 CO 0.05 0.05 1.72 0.54 -0.05 0.00 0.00 175.22 177.52 2kuf s VAL 562 N -1.51 3.12 -0.14 -2.49 0.11 -1.26 -0.95 120.40 117.28 2kuf s VAL 562 Ca -0.01 0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.24 2kuf s VAL 562 Cb -0.09 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.46 2kuf s VAL 562 CO 0.02 -0.02 0.73 -0.32 -3.33 0.00 0.00 175.10 172.19 2kuf s MET 563 N 3.27 4.32 1.11 1.54 1.75 -0.47 -4.92 119.30 125.90 2kuf s MET 563 Ca 0.77 0.86 -0.13 0.00 -1.25 0.00 0.00 55.69 55.93 2kuf s MET 563 Cb -0.39 -3.53 0.25 0.00 2.84 0.00 0.00 34.83 34.00 2kuf s MET 563 CO 0.33 -0.18 1.05 -2.14 -0.65 0.00 0.00 175.02 173.44 2kuf s PRO 564 N 1.65 -0.49 -0.29 4.11 0.02 -1.26 -0.52 135.00 138.21 2kuf s PRO 564 Ca 0.35 0.60 -0.29 0.00 0.02 0.00 0.00 61.00 61.69 2kuf s PRO 564 Cb -0.17 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2kuf s PRO 564 CO 0.14 -3.38 1.29 -0.51 -0.33 0.00 0.00 177.00 174.21 2kuf s ASP 565 N -3.00 6.71 0.11 2.53 1.11 -1.26 -4.66 116.67 118.21 2kuf s ASP 565 Ca 0.67 1.24 0.23 0.00 0.18 0.00 0.00 52.55 54.88 2kuf s ASP 565 Cb -0.21 -2.54 0.09 0.00 1.07 0.00 0.00 42.92 41.33 2kuf s ASP 565 CO 0.61 -1.04 1.08 0.18 1.18 0.00 0.00 175.17 177.18 2kuf n LEU 566 N 7.51 0.67 -4.76 1.23 7.99 -1.26 -4.89 117.00 123.49 2kuf n LEU 566 Ca 0.15 0.16 -0.40 0.00 -0.01 0.00 0.00 56.01 55.90 2kuf n LEU 566 Cb 0.46 -0.10 -0.04 0.00 -0.11 0.00 0.00 43.42 43.63 2kuf n LEU 566 CO 0.62 -0.06 0.80 -0.44 -1.51 0.00 0.00 177.39 176.81 2kuf s SER 567 N -4.49 7.23 0.00 -1.43 0.01 -1.26 -3.67 113.70 110.09 2kuf s SER 567 Ca 0.02 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.57 2kuf s SER 567 Cb 0.13 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2kuf s SER 567 CO 0.78 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2kuf n GLY 568 N 1.15 0.85 3.34 3.44 0.00 0.33 -4.94 105.19 109.36 2kuf n GLY 568 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.69 1.40 0.64 1.61 0.00 -1.24 -4.86 119.30 116.16 2kuf s MET 569 Ca 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 55.69 53.92 2kuf s MET 569 Cb 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 34.83 34.35 2kuf s MET 569 CO 0.00 -0.17 0.92 -0.06 0.00 0.00 0.00 175.02 175.70 2kuf s PHE 570 N -3.51 2.83 0.39 3.16 0.08 -1.26 0.10 117.98 119.77 2kuf s PHE 570 Ca 0.32 0.22 0.18 0.00 0.12 0.00 0.00 56.93 57.77 2kuf s PHE 570 Cb 0.07 -3.01 1.00 0.00 -0.57 0.00 0.00 43.02 40.50 2kuf s PHE 570 CO 0.11 -1.21 1.93 2.35 -0.10 0.00 0.00 175.22 178.31 2kuf h TRP 571 N -0.33 0.00 0.00 0.36 2.91 -1.95 0.20 115.95 117.14 2kuf h TRP 571 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2kuf h TRP 571 Cb 1.31 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 2kuf h TRP 571 CO 0.32 0.25 0.00 1.55 -1.03 0.00 0.00 178.44 179.52 2kuf n VAL 572 N -4.00 0.54 -0.11 2.65 3.14 -1.26 -1.74 118.33 117.55 2kuf n VAL 572 Ca -0.02 0.05 -0.19 0.00 -2.96 0.00 0.00 64.34 61.22 2kuf n VAL 572 Cb 0.32 -0.77 -0.12 0.00 -1.06 0.00 0.00 33.84 32.21 2kuf n VAL 572 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kuf n ASP 573 N -1.80 2.00 0.12 6.55 8.00 -0.48 -4.49 116.55 126.46 2kuf n ASP 573 Ca 0.05 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 2kuf n ASP 573 Cb 0.29 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kuf h ALA 574 N -0.04 -0.44 -0.24 2.24 0.00 -0.29 -1.54 119.26 118.95 2kuf h ALA 574 Ca -0.57 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.33 2kuf h ALA 574 Cb 1.90 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 20.06 2kuf h ALA 574 CO -0.09 -0.79 0.07 0.93 0.00 0.00 0.00 179.25 179.37 2kuf h GLU 575 N -0.47 0.17 -0.95 0.00 5.08 -1.60 0.31 114.58 117.13 2kuf h GLU 575 Ca 0.02 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2kuf h GLU 575 Cb 0.48 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2kuf h GLU 575 CO -0.13 0.11 0.60 -1.35 -1.00 0.00 0.00 179.01 177.25 2kuf h PRO 576 N 0.17 0.71 -0.41 2.33 0.11 -1.76 -0.45 132.00 132.71 2kuf h PRO 576 Ca 0.11 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 2kuf h PRO 576 Cb 0.09 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2kuf h PRO 576 CO -0.12 0.47 -0.29 0.00 -0.21 0.00 0.00 178.00 177.85 2kuf h ARG 577 N 0.73 0.88 -0.20 1.05 2.47 -0.07 -2.15 114.38 117.10 2kuf h ARG 577 Ca 0.50 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2kuf h ARG 577 Cb 0.81 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2kuf h ARG 577 CO -0.27 1.05 0.03 -0.07 0.56 0.00 0.00 179.97 181.28 2kuf h LEU 578 N 0.75 0.31 -1.00 3.04 3.38 0.88 0.36 115.31 123.02 2kuf h LEU 578 Ca 0.08 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2kuf h LEU 578 Cb 0.85 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2kuf h LEU 578 CO 0.07 0.50 -0.13 0.08 0.09 0.00 0.00 178.44 179.05 2kuf h ARG 579 N 0.12 0.57 -0.03 1.13 0.11 -1.19 -1.24 114.38 113.84 2kuf h ARG 579 Ca 0.06 -0.17 -0.11 0.00 0.10 0.00 0.00 59.98 59.85 2kuf h ARG 579 Cb 0.32 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2kuf h ARG 579 CO 0.00 0.69 -0.52 0.00 0.10 0.00 0.00 179.97 180.25 2kuf h ALA 580 N 1.34 1.09 -0.00 0.08 0.00 -0.81 -2.22 119.26 118.74 2kuf h ALA 580 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kuf h ALA 580 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kuf h ALA 580 CO 0.03 0.65 -0.04 -0.11 0.00 0.00 0.00 179.25 179.79 2kuf n LEU 581 N -3.93 0.05 -2.50 0.00 7.94 0.12 -4.93 117.00 113.76 2kuf n LEU 581 Ca -0.02 0.41 -0.12 0.00 -1.11 0.00 0.00 56.01 55.17 2kuf n LEU 581 Cb 0.54 -0.43 0.05 0.00 0.53 0.00 0.00 43.42 44.11 2kuf n LEU 581 CO 0.41 0.01 0.10 0.61 -1.11 0.00 0.00 177.39 177.42 2kuf n GLY 582 N 1.45 -0.04 3.72 -3.96 0.00 -0.61 -4.99 105.19 100.77 2kuf n GLY 582 Ca 0.08 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.22 3.65 -0.14 1.61 -0.00 -0.57 -4.94 118.94 115.33 2kuf s TRP 583 Ca 0.13 1.48 0.19 0.00 -0.00 0.00 0.00 56.10 57.91 2kuf s TRP 583 Cb -0.06 -2.93 -0.28 0.00 -0.00 0.00 0.00 33.47 30.20 2kuf s TRP 583 CO 0.46 0.10 0.20 0.25 -0.00 0.00 0.00 176.95 177.95 2kuf n THR 584 N 3.58 0.93 -1.65 5.86 -2.24 -1.26 -4.85 114.28 114.65 2kuf n THR 584 Ca 0.01 -0.74 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 2kuf n THR 584 Cb 0.51 -0.31 0.10 0.00 -2.10 0.00 0.00 70.33 68.53 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 585 N 1.60 -0.98 3.73 3.38 0.00 -0.80 -5.06 105.19 107.05 2kuf n GLY 585 Ca -0.23 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 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 -4.42 2.72 -0.12 1.61 -1.94 -1.26 -5.01 119.30 110.89 2kuf s MET 586 Ca 0.39 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.44 2kuf s MET 586 Cb -0.01 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 2kuf s MET 586 CO 0.27 0.56 0.48 -1.17 -0.01 0.00 0.00 175.02 175.15 2kuf s LEU 587 N -2.28 4.28 -0.19 -0.03 0.20 -1.26 -4.39 118.68 115.01 2kuf s LEU 587 Ca 0.27 0.82 -0.03 0.00 0.69 0.00 0.00 54.13 55.88 2kuf s LEU 587 Cb -0.12 -2.69 -0.01 0.00 -0.43 0.00 0.00 46.19 42.93 2kuf s LEU 587 CO 0.19 0.01 -0.06 -0.62 -0.29 0.00 0.00 176.35 175.57 2kuf s ASP 588 N 0.60 4.28 -0.15 3.68 2.15 -1.15 -5.06 116.67 121.02 2kuf s ASP 588 Ca 0.26 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.83 2kuf s ASP 588 Cb -0.15 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 2kuf s ASP 588 CO 0.10 0.04 0.06 -1.59 -0.17 0.00 0.00 175.17 173.61 2kuf s LYS 589 N 1.09 3.65 -0.07 4.34 0.00 -1.26 -1.19 119.74 126.30 2kuf s LYS 589 Ca 0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 55.97 55.44 2kuf s LYS 589 Cb -0.15 -3.10 -0.16 0.00 0.00 0.00 0.00 37.83 34.42 2kuf s LYS 589 CO -0.01 0.46 0.78 0.78 0.00 0.00 0.00 175.35 177.35 2kuf h GLY 590 N 6.05 -0.14 -5.44 0.59 0.00 -0.79 -3.47 103.07 99.88 2kuf h GLY 590 Ca -0.43 0.05 -0.22 0.00 0.00 0.00 0.00 47.33 46.74 2kuf h GLY 590 CO 0.64 -0.05 -0.70 0.00 0.00 0.00 0.00 176.54 176.43 2kuf s ALA 591 N -3.30 -0.00 -0.16 3.60 0.00 -1.26 -5.05 121.76 115.59 2kuf s ALA 591 Ca -0.13 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2kuf s ALA 591 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2kuf s ALA 591 CO 0.48 -0.03 -0.17 0.16 0.00 0.00 0.00 175.76 176.20 2kuf s ASP 592 N -0.26 3.53 -0.19 0.00 -4.77 -1.25 -2.09 116.67 111.64 2kuf s ASP 592 Ca -0.03 -0.51 0.01 0.00 -3.30 0.00 0.00 52.55 48.72 2kuf s ASP 592 Cb -0.02 -1.54 0.03 0.00 -1.09 0.00 0.00 42.92 40.30 2kuf s ASP 592 CO -0.00 0.07 -0.15 -0.69 0.70 0.00 0.00 175.17 175.10 2kuf s VAL 593 N 0.90 1.85 -0.07 2.11 1.01 -0.36 -4.89 120.40 120.94 2kuf s VAL 593 Ca -0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 2kuf s VAL 593 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2kuf s VAL 593 CO -0.02 0.34 1.31 1.51 0.00 0.00 0.00 175.10 178.24 2kuf s ASP 594 N 1.33 6.93 0.00 3.32 -4.77 -1.26 -1.58 116.67 120.65 2kuf s ASP 594 Ca 0.01 1.90 0.00 0.00 -3.30 0.00 0.00 52.55 51.16 2kuf s ASP 594 Cb -0.15 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2kuf s ASP 594 CO -0.10 -0.70 0.09 0.00 0.70 0.00 0.00 175.17 175.16 2kuf n ALA 595 N 5.83 0.87 0.00 2.11 0.00 -1.26 -4.96 120.51 123.10 2kuf n ALA 595 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kuf n ALA 595 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.21 0.40 0.35 0.00 0.00 -1.26 -4.58 105.19 100.30 2kuf n GLY 596 Ca 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.45 2.00 -0.02 0.00 -1.99 -2.01 103.07 101.50 2kuf h GLY 597 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2kuf h GLY 597 CO 0.00 0.09 -0.07 0.23 0.00 0.00 0.00 176.54 176.79 2kuf h SER 598 N 0.33 0.00 0.04 0.19 0.87 -1.98 -1.01 113.55 111.99 2kuf h SER 598 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2kuf h SER 598 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kuf h SER 598 CO -0.06 0.07 -0.05 0.00 -0.53 0.00 0.00 176.83 176.26 2kuf n GLN 599 N -3.57 1.45 -2.74 2.24 1.13 -0.75 -4.98 117.38 110.15 2kuf n GLN 599 Ca -0.02 -0.81 -0.03 0.00 -1.94 0.00 0.00 57.00 54.20 2kuf n GLN 599 Cb 0.19 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.06 -3.79 -2.89 1.08 8.25 -0.39 -4.87 115.22 112.55 2kuf n HIS 600 Ca 0.18 1.63 -0.44 0.00 -0.26 0.00 0.00 57.72 58.84 2kuf n HIS 600 Cb 0.34 -4.02 -0.02 0.00 1.12 0.00 0.00 29.99 27.42 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 -1.94 6.79 0.56 0.41 0.01 -1.26 -4.97 114.94 114.55 2kuf s ASN 601 Ca 0.08 -2.38 0.00 0.00 -0.71 0.00 0.00 52.86 49.86 2kuf s ASN 601 Cb -0.02 -2.42 0.03 0.00 0.41 0.00 0.00 41.25 39.25 2kuf s ASN 601 CO 0.77 -0.98 0.79 0.00 -1.51 0.00 0.00 177.10 176.17 2kuf s ARG 602 N 2.51 2.54 0.08 -0.60 1.70 -1.26 -4.44 118.95 119.48 2kuf s ARG 602 Ca 0.38 -0.70 -0.31 0.00 -0.47 0.00 0.00 55.73 54.63 2kuf s ARG 602 Cb -0.03 -2.46 -0.06 0.00 -0.57 0.00 0.00 34.95 31.83 2kuf s ARG 602 CO -0.05 -0.74 1.24 0.08 -1.08 0.00 0.00 175.30 174.75 2kuf s VAL 603 N -2.80 3.86 -0.13 4.99 1.01 0.12 -2.56 120.40 124.89 2kuf s VAL 603 Ca 0.57 1.35 0.14 0.00 0.00 0.00 0.00 61.98 64.03 2kuf s VAL 603 Cb -0.10 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 2kuf s VAL 603 CO 0.39 0.11 0.08 1.33 0.00 0.00 0.00 175.10 177.01 2kuf n VAL 604 N 3.85 0.92 -3.66 2.92 0.24 -0.78 -0.51 118.33 121.31 2kuf n VAL 604 Ca 0.09 -0.61 -0.14 0.00 -2.04 0.00 0.00 64.34 61.64 2kuf n VAL 604 Cb 0.45 -0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.44 -0.60 -0.03 6.34 5.04 -1.08 -4.87 117.35 119.71 2kuf s TYR 605 Ca -0.07 1.37 0.07 0.00 -2.44 0.00 0.00 57.07 56.00 2kuf s TYR 605 Cb 0.05 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 2kuf s TYR 605 CO 0.62 -0.36 -0.24 1.14 -1.34 0.00 0.00 175.55 175.37 2kuf s GLN 606 N -0.07 2.08 0.08 4.97 -2.07 -1.26 -0.31 119.66 123.08 2kuf s GLN 606 Ca -0.03 -0.86 -0.26 0.00 -1.82 0.00 0.00 55.36 52.40 2kuf s GLN 606 Cb -0.04 -1.93 -0.16 0.00 -1.09 0.00 0.00 33.01 29.79 2kuf s GLN 606 CO 0.03 0.47 1.69 -0.97 -1.32 0.00 0.00 175.29 175.19 2kuf h ASN 607 N 5.70 -0.22 -3.47 12.60 -0.00 -1.00 -3.36 115.58 125.84 2kuf h ASN 607 Ca -0.39 -0.00 -0.61 0.00 -0.00 0.00 0.00 56.30 55.30 2kuf h ASN 607 Cb 1.14 0.06 -0.11 0.00 -0.00 0.00 0.00 38.32 39.41 2kuf h ASN 607 CO 0.47 -0.14 0.23 -2.16 -0.00 0.00 0.00 177.43 175.83 2kuf s PRO 608 N -6.10 4.03 0.86 6.67 0.05 -1.26 -5.05 135.00 134.20 2kuf s PRO 608 Ca -0.14 0.52 -0.10 0.00 0.05 0.00 0.00 61.00 61.32 2kuf s PRO 608 Cb 0.05 -3.69 0.11 0.00 0.05 0.00 0.00 34.50 31.03 2kuf s PRO 608 CO 0.65 -0.52 1.13 -2.14 0.05 0.00 0.00 177.00 176.17 2kuf s PRO 609 N 2.65 1.47 0.35 0.56 0.02 -1.26 -4.90 135.00 133.89 2kuf s PRO 609 Ca 0.28 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 2kuf s PRO 609 Cb -0.15 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 2kuf s PRO 609 CO 0.10 -2.28 1.45 0.00 -0.33 0.00 0.00 177.00 175.95 2kuf s ALA 610 N -2.70 3.58 0.00 -1.55 0.00 -1.26 -2.16 121.76 117.67 2kuf s ALA 610 Ca 0.65 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2kuf s ALA 610 Cb -0.21 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2kuf s ALA 610 CO 0.57 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2kuf n GLY 611 N 0.87 0.11 3.75 0.00 0.00 0.32 -5.00 105.19 105.23 2kuf n GLY 611 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 4.17 -0.13 2.61 2.01 -0.92 -4.59 115.64 116.78 2kuf s THR 612 Ca 0.00 2.08 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 2kuf s THR 612 Cb 0.00 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 2kuf s THR 612 CO 0.00 0.46 1.15 -0.83 -0.69 0.00 0.00 174.62 174.71 2kuf s GLY 613 N -0.91 1.95 -0.03 4.40 0.00 -1.26 -1.36 107.32 110.11 2kuf s GLY 613 Ca 0.42 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.62 2kuf s GLY 613 CO 0.31 2.23 -0.11 -1.34 0.00 0.00 0.00 173.10 174.19 2kuf s VAL 614 N 2.71 3.36 1.19 1.40 -7.23 -0.12 -4.80 120.40 116.91 2kuf s VAL 614 Ca 0.52 -0.73 -0.17 0.00 -1.81 0.00 0.00 61.98 59.78 2kuf s VAL 614 Cb -0.21 -2.39 0.22 0.00 0.56 0.00 0.00 36.38 34.56 2kuf s VAL 614 CO 0.16 0.51 0.45 -0.46 -0.31 0.00 0.00 175.10 175.45 2kuf n ASN 615 N 1.98 -2.71 0.23 4.85 6.94 -1.26 -0.69 115.26 124.59 2kuf n ASN 615 Ca -0.17 -0.34 0.17 0.00 -0.02 0.00 0.00 54.58 54.23 2kuf n ASN 615 Cb 0.52 -0.99 0.86 0.00 -2.36 0.00 0.00 39.78 37.81 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 -2.65 0.00 -0.00 -3.83 0.11 -1.57 0.30 114.38 106.73 2kuf h ARG 616 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kuf h ARG 616 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2kuf h ARG 616 CO 0.34 0.00 -0.19 -0.25 0.10 0.00 0.00 179.97 179.97 2kuf n ASP 617 N -3.71 0.21 -1.07 0.08 8.00 -1.26 -4.58 116.55 114.22 2kuf n ASP 617 Ca 0.01 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 2kuf n ASP 617 Cb 0.29 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kuf n GLY 618 N 1.49 1.43 3.65 0.44 0.00 0.10 -1.91 105.19 110.39 2kuf n GLY 618 Ca 0.07 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.45 3.74 -0.04 -0.61 -1.16 -1.26 -4.89 121.20 114.53 2kuf s ILE 619 Ca 0.00 0.88 0.03 0.00 -0.51 0.00 0.00 60.65 61.04 2kuf s ILE 619 Cb 0.00 -3.62 0.01 0.00 0.61 0.00 0.00 42.46 39.45 2kuf s ILE 619 CO 0.00 -0.14 -0.11 -0.51 -2.81 0.00 0.00 174.94 171.37 2kuf s ILE 620 N 4.29 1.00 -0.20 2.00 -1.16 -1.26 -4.95 121.20 120.93 2kuf s ILE 620 Ca 0.70 -0.45 -0.07 0.00 -0.51 0.00 0.00 60.65 60.31 2kuf s ILE 620 Cb -0.29 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 41.85 2kuf s ILE 620 CO 0.27 0.31 0.05 -0.89 -2.81 0.00 0.00 174.94 171.87 2kuf s THR 621 N 0.35 4.54 0.17 4.00 2.01 -1.26 -2.92 115.64 122.54 2kuf s THR 621 Ca -0.07 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2kuf s THR 621 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2kuf s THR 621 CO 0.02 0.42 0.07 -1.48 -0.69 0.00 0.00 174.62 172.96 2kuf s LEU 622 N 0.77 1.70 -0.03 4.42 0.05 -0.33 -0.29 118.68 124.97 2kuf s LEU 622 Ca 0.03 -1.26 0.04 0.00 0.05 0.00 0.00 54.13 52.98 2kuf s LEU 622 Cb -0.14 0.20 -0.00 0.00 -2.05 0.00 0.00 46.19 44.20 2kuf s LEU 622 CO 0.02 -0.72 -0.14 0.00 -0.55 0.00 0.00 176.35 174.96 2kuf s ARG 623 N -4.04 1.38 0.18 1.48 1.70 0.58 -0.00 118.95 120.23 2kuf s ARG 623 Ca 0.29 -0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 55.02 2kuf s ARG 623 Cb 0.07 -1.26 -0.03 0.00 -0.57 0.00 0.00 34.95 33.16 2kuf s ARG 623 CO 0.06 0.24 0.16 -0.59 -1.08 0.00 0.00 175.30 174.09 2kuf s PHE 624 N -0.05 0.91 0.00 5.89 -0.71 -0.89 -1.87 117.98 121.26 2kuf s PHE 624 Ca -0.00 -1.20 0.00 0.00 -1.04 0.00 0.00 56.93 54.68 2kuf s PHE 624 Cb -0.09 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 2kuf s PHE 624 CO 0.01 -0.65 0.00 0.41 -1.34 0.00 0.00 175.22 173.65 2kuf n GLY 625 N -0.22 -1.06 0.00 1.99 0.00 -1.06 -2.99 105.19 101.85 2kuf n GLY 625 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14