#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 4.07 -0.02 1.61 0.02 -1.26 -4.93 135.00 134.49 2kuf s PRO 492 Ca 0.00 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.14 2kuf s PRO 492 Cb 0.00 -2.79 0.17 0.00 0.02 0.00 0.00 34.50 31.90 2kuf s PRO 492 CO 0.00 -0.38 1.13 0.00 -0.33 0.00 0.00 177.00 177.43 2kuf n ALA 493 N 0.24 2.14 -2.47 -1.55 0.00 -1.26 -4.99 120.51 112.62 2kuf n ALA 493 Ca 0.03 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 2kuf n ALA 493 Cb 0.44 -0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.21 1.28 -0.01 0.00 -4.23 -1.26 -0.32 115.64 109.89 2kuf s THR 494 Ca 0.13 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.85 2kuf s THR 494 Cb 0.08 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.37 2kuf s THR 494 CO 0.07 -0.47 0.09 -0.54 -0.54 0.00 0.00 174.62 173.23 2kuf s LYS 495 N -2.80 0.32 0.03 3.99 -0.14 0.90 -4.69 119.74 117.35 2kuf s LYS 495 Ca 0.09 -0.25 -0.17 0.00 -1.36 0.00 0.00 55.97 54.29 2kuf s LYS 495 Cb -0.04 0.13 -0.06 0.00 -1.68 0.00 0.00 37.83 36.18 2kuf s LYS 495 CO 0.03 -0.07 0.48 0.16 -0.76 0.00 0.00 175.35 175.19 2kuf s ASP 496 N -0.88 6.92 -0.22 2.83 -4.77 -1.26 -0.11 116.67 119.18 2kuf s ASP 496 Ca -0.10 1.09 -0.14 0.00 -3.30 0.00 0.00 52.55 50.11 2kuf s ASP 496 Cb -0.06 -2.30 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 2kuf s ASP 496 CO 0.01 0.30 0.31 0.27 0.70 0.00 0.00 175.17 176.76 2kuf s ILE 497 N -1.10 5.25 0.76 2.11 -4.36 -1.00 -4.82 121.20 118.04 2kuf s ILE 497 Ca 0.26 0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 61.03 2kuf s ILE 497 Cb -0.18 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 39.94 2kuf s ILE 497 CO 0.16 0.27 1.13 -2.84 0.24 0.00 0.00 174.94 173.90 2kuf s PRO 498 N 1.30 2.17 -0.71 0.37 0.02 -1.26 -0.73 135.00 136.15 2kuf s PRO 498 Ca 0.14 1.41 -0.27 0.00 0.02 0.00 0.00 61.00 62.30 2kuf s PRO 498 Cb -0.14 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.52 2kuf s PRO 498 CO 0.07 -1.75 1.41 0.34 -0.33 0.00 0.00 177.00 176.75 2kuf s ASP 499 N -2.78 5.95 -0.02 2.53 2.15 -1.26 -4.63 116.67 118.61 2kuf s ASP 499 Ca 0.66 -0.27 0.16 0.00 0.43 0.00 0.00 52.55 53.54 2kuf s ASP 499 Cb -0.21 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.35 2kuf s ASP 499 CO 0.50 -1.96 1.42 1.33 -0.17 0.00 0.00 175.17 176.28 2kuf n VAL 500 N 6.57 1.18 -2.55 1.11 0.24 -1.26 -4.91 118.33 118.71 2kuf n VAL 500 Ca 0.07 -1.07 -0.41 0.00 -2.04 0.00 0.00 64.34 60.89 2kuf n VAL 500 Cb 0.50 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.21 2.74 0.00 2.33 0.00 -1.26 -3.51 121.76 120.85 2kuf s ALA 501 Ca 0.37 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2kuf s ALA 501 Cb 0.21 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2kuf s ALA 501 CO 0.23 -3.39 0.00 0.41 0.00 0.00 0.00 175.76 173.01 2kuf n GLY 502 N 5.84 1.76 0.75 0.00 0.00 -0.67 -4.92 105.19 107.95 2kuf n GLY 502 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.38 -1.78 1.61 0.00 -1.23 -4.76 117.38 111.61 2kuf n GLN 503 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 57.00 56.16 2kuf n GLN 503 Cb 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 30.24 30.14 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 -0.56 3.29 0.20 -0.39 2.01 -1.26 -2.19 115.64 116.74 2kuf s THR 504 Ca 0.13 0.60 -0.10 0.00 0.31 0.00 0.00 61.69 62.63 2kuf s THR 504 Cb -0.01 -3.12 0.13 0.00 0.01 0.00 0.00 72.50 69.51 2kuf s THR 504 CO 0.09 -0.37 1.78 1.62 -0.69 0.00 0.00 174.62 177.05 2kuf h VAL 505 N 0.06 1.24 -0.93 3.82 3.04 -0.94 0.27 116.25 122.81 2kuf h VAL 505 Ca -0.47 -0.67 0.02 0.00 -1.01 0.00 0.00 66.70 64.57 2kuf h VAL 505 Cb 1.24 0.36 -0.05 0.00 -2.01 0.00 0.00 31.29 30.83 2kuf h VAL 505 CO 0.54 0.28 0.61 -0.78 -1.01 0.00 0.00 177.57 177.21 2kuf h ASP 506 N 1.00 1.04 -0.10 3.17 3.58 -1.92 0.19 116.42 123.37 2kuf h ASP 506 Ca 0.24 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 2kuf h ASP 506 Cb 0.13 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kuf h ASP 506 CO -0.03 0.73 -0.25 0.58 -2.88 0.00 0.00 179.24 177.40 2kuf h VAL 507 N 1.22 1.39 -0.60 2.25 2.07 -1.80 -2.68 116.25 118.11 2kuf h VAL 507 Ca 0.35 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.34 2kuf h VAL 507 Cb -0.08 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2kuf h VAL 507 CO -0.09 0.45 0.37 0.00 0.02 0.00 0.00 177.57 178.32 2kuf h ALA 508 N 0.50 0.77 -0.36 1.67 0.00 0.18 0.24 119.26 122.26 2kuf h ALA 508 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kuf h ALA 508 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kuf h ALA 508 CO 0.05 0.11 0.17 1.96 0.00 0.00 0.00 179.25 181.55 2kuf h GLN 509 N 0.73 0.52 -0.44 0.00 4.20 -0.68 0.06 115.11 119.50 2kuf h GLN 509 Ca 0.24 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 2kuf h GLN 509 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2kuf h GLN 509 CO -0.09 0.47 -0.22 1.57 -0.67 0.00 0.00 178.83 179.89 2kuf h LYS 510 N 0.45 0.90 -0.25 1.46 2.10 -1.11 -2.03 116.57 118.08 2kuf h LYS 510 Ca 0.12 -0.37 -0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2kuf h LYS 510 Cb 0.12 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2kuf h LYS 510 CO -0.02 1.02 0.15 -0.91 -2.00 0.00 0.00 179.45 177.70 2kuf h ASN 511 N 0.78 0.30 -0.09 7.07 4.21 -0.09 -0.45 115.58 127.31 2kuf h ASN 511 Ca 0.10 -0.05 -0.12 0.00 1.21 0.00 0.00 56.30 57.45 2kuf h ASN 511 Cb 0.76 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2kuf h ASN 511 CO 0.06 0.26 -0.32 0.17 -1.29 0.00 0.00 177.43 176.31 2kuf h LEU 512 N 0.32 0.59 -1.02 1.61 8.10 -0.97 -2.96 115.31 120.98 2kuf h LEU 512 Ca 0.09 -0.23 -0.08 0.00 0.11 0.00 0.00 57.88 57.77 2kuf h LEU 512 Cb 0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 2kuf h LEU 512 CO -0.02 0.88 -0.14 -1.13 -4.11 0.00 0.00 178.44 173.91 2kuf h ASN 513 N 0.49 0.52 -0.47 0.17 -0.73 -0.74 0.72 115.58 115.54 2kuf h ASN 513 Ca 0.06 -0.14 0.08 0.00 1.87 0.00 0.00 56.30 58.17 2kuf h ASN 513 Cb 0.80 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 2kuf h ASN 513 CO 0.07 0.69 0.32 0.58 -0.37 0.00 0.00 177.43 178.72 2kuf h VAL 514 N 0.49 0.90 -0.17 2.57 2.07 -0.92 0.38 116.25 121.57 2kuf h VAL 514 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2kuf h VAL 514 Cb 0.54 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2kuf h VAL 514 CO 0.03 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.46 2kuf n TYR 515 N -4.46 0.50 0.07 1.57 4.01 -0.84 -4.76 117.16 113.25 2kuf n TYR 515 Ca 0.07 -0.81 0.00 0.00 -0.16 0.00 0.00 57.90 57.00 2kuf n TYR 515 Cb 0.34 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.60 -0.15 2.46 2.72 0.00 0.19 -4.72 105.19 105.08 2kuf n GLY 516 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.03 0.00 -0.97 1.61 3.72 0.12 -4.97 117.46 113.95 2kuf n PHE 517 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 2kuf n PHE 517 Cb 0.02 -2.22 0.02 0.00 -0.94 0.00 0.00 39.48 36.36 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 -2.54 0.00 -4.36 4.37 -2.24 -1.26 -4.99 114.28 103.25 2kuf n THR 518 Ca -0.11 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2kuf n THR 518 Cb 0.43 -1.79 -0.09 0.00 -2.10 0.00 0.00 70.33 66.77 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -3.20 2.80 0.06 -0.78 1.02 -1.12 -4.98 119.74 113.54 2kuf s LYS 519 Ca 0.05 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.51 2kuf s LYS 519 Cb -0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2kuf s LYS 519 CO 0.04 0.64 -0.12 -0.59 -0.92 0.00 0.00 175.35 174.41 2kuf s PHE 520 N -1.00 1.02 0.01 3.18 -0.12 -1.26 0.09 117.98 119.88 2kuf s PHE 520 Ca 0.17 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2kuf s PHE 520 Cb -0.11 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2kuf s PHE 520 CO 0.07 0.00 0.01 -1.12 -0.05 0.00 0.00 175.22 174.14 2kuf s SER 521 N -1.74 0.12 -0.06 1.98 0.01 0.46 -4.86 113.70 109.60 2kuf s SER 521 Ca -0.04 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2kuf s SER 521 Cb -0.09 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2kuf s SER 521 CO 0.01 -0.20 -0.21 0.00 0.41 0.00 0.00 173.24 173.25 2kuf s GLN 522 N -0.91 2.61 -0.05 12.44 -2.07 -1.26 -0.22 119.66 130.20 2kuf s GLN 522 Ca -0.10 -0.84 0.02 0.00 -1.82 0.00 0.00 55.36 52.63 2kuf s GLN 522 Cb -0.06 -2.25 0.01 0.00 -1.09 0.00 0.00 33.01 29.62 2kuf s GLN 522 CO -0.00 0.43 -0.11 0.00 -1.32 0.00 0.00 175.29 174.29 2kuf s ALA 523 N -0.25 1.09 -0.19 2.60 0.00 0.09 -4.93 121.76 120.17 2kuf s ALA 523 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 2kuf s ALA 523 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2kuf s ALA 523 CO 0.03 0.12 0.13 -1.12 0.00 0.00 0.00 175.76 174.91 2kuf s SER 524 N 0.52 6.21 0.11 0.00 0.01 -1.25 0.05 113.70 119.34 2kuf s SER 524 Ca -0.10 0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.51 2kuf s SER 524 Cb -0.13 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2kuf s SER 524 CO 0.02 0.21 -0.25 0.54 0.41 0.00 0.00 173.24 174.17 2kuf s VAL 525 N 0.17 2.05 0.16 3.43 0.11 0.93 -4.82 120.40 122.44 2kuf s VAL 525 Ca 0.09 -1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 2kuf s VAL 525 Cb -0.11 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.84 2kuf s VAL 525 CO -0.01 0.07 1.06 1.51 -3.33 0.00 0.00 175.10 174.40 2kuf s ASP 526 N -1.90 7.34 0.03 3.54 1.47 -1.26 -0.08 116.67 125.80 2kuf s ASP 526 Ca 0.11 2.01 -0.27 0.00 1.18 0.00 0.00 52.55 55.58 2kuf s ASP 526 Cb -0.10 -2.60 0.08 0.00 -0.34 0.00 0.00 42.92 39.97 2kuf s ASP 526 CO 0.05 -0.17 0.74 -0.44 0.68 0.00 0.00 175.17 176.03 2kuf s SER 527 N -0.12 -0.52 0.00 2.11 0.01 -0.28 -4.86 113.70 110.04 2kuf s SER 527 Ca 0.48 0.24 0.06 0.00 1.31 0.00 0.00 55.95 58.05 2kuf s SER 527 Cb -0.28 0.50 0.33 0.00 0.21 0.00 0.00 66.02 66.78 2kuf s SER 527 CO 0.33 -0.71 0.95 -2.65 0.41 0.00 0.00 173.24 171.57 2kuf n PRO 528 N 0.13 0.14 -2.74 12.44 -0.02 -1.26 -3.67 135.00 140.02 2kuf n PRO 528 Ca -0.15 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 2kuf n PRO 528 Cb 0.61 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kuf s ARG 529 N -2.31 4.75 0.58 -0.52 3.00 -1.26 -4.90 118.95 118.29 2kuf s ARG 529 Ca 0.07 1.46 -0.20 0.00 0.00 0.00 0.00 55.73 57.06 2kuf s ARG 529 Cb 0.04 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.61 2kuf s ARG 529 CO 0.08 0.33 1.31 -1.25 0.00 0.00 0.00 175.30 175.77 2kuf s PRO 530 N -0.43 2.97 -0.14 3.54 0.04 -1.26 -2.42 135.00 137.30 2kuf s PRO 530 Ca 0.45 2.11 -0.32 0.00 0.04 0.00 0.00 61.00 63.27 2kuf s PRO 530 Cb -0.24 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2kuf s PRO 530 CO 0.30 -1.28 2.04 0.00 0.04 0.00 0.00 177.00 178.10 2kuf n ALA 531 N -1.34 1.28 0.00 8.56 0.00 -1.24 -2.23 120.51 125.54 2kuf n ALA 531 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kuf n ALA 531 Cb 0.47 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 5.13 1.22 3.74 0.00 0.00 -1.10 -4.92 105.19 109.25 2kuf n GLY 532 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 4.69 -0.26 1.61 2.12 -0.95 -0.27 118.70 125.64 2kuf s GLU 533 Ca 0.00 1.39 -0.14 0.00 0.36 0.00 0.00 54.97 56.58 2kuf s GLU 533 Cb 0.00 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 2kuf s GLU 533 CO 0.00 0.29 0.33 0.54 -0.54 0.00 0.00 175.26 175.87 2kuf s VAL 534 N -0.24 5.21 -2.65 3.70 0.11 -0.93 -0.86 120.40 124.73 2kuf s VAL 534 Ca 0.44 0.48 0.25 0.00 -2.93 0.00 0.00 61.98 60.22 2kuf s VAL 534 Cb -0.23 -3.66 0.22 0.00 -1.53 0.00 0.00 36.38 31.18 2kuf s VAL 534 CO 0.29 0.20 1.33 0.35 -3.33 0.00 0.00 175.10 173.93 2kuf n THR 535 N 4.98 0.00 -3.84 5.04 -2.24 -0.11 -1.66 114.28 116.45 2kuf n THR 535 Ca -0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2kuf n THR 535 Cb 0.51 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.33 -1.07 3.10 3.38 0.00 -1.14 -4.87 105.19 105.93 2kuf n GLY 536 Ca 0.14 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 0.65 0.10 2.61 -4.23 -1.26 -0.09 115.64 110.42 2kuf s THR 537 Ca 0.00 -1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 58.93 2kuf s THR 537 Cb 0.00 -0.96 -0.11 0.00 1.34 0.00 0.00 72.50 72.77 2kuf s THR 537 CO 0.00 -0.51 1.71 -1.13 -0.54 0.00 0.00 174.62 174.15 2kuf h ASN 538 N 4.03 -0.18 -3.36 3.99 -1.24 -1.14 -3.38 115.58 114.30 2kuf h ASN 538 Ca -0.36 0.03 -0.55 0.00 0.71 0.00 0.00 56.30 56.13 2kuf h ASN 538 Cb 1.19 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.29 2kuf h ASN 538 CO 0.48 -0.09 0.37 -2.84 -1.29 0.00 0.00 177.43 174.06 2kuf s PRO 539 N -6.18 4.49 0.36 6.67 0.02 -1.26 -5.01 135.00 134.09 2kuf s PRO 539 Ca -0.14 1.30 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 2kuf s PRO 539 Cb 0.07 -3.49 -0.12 0.00 0.02 0.00 0.00 34.50 30.99 2kuf s PRO 539 CO 0.66 -0.11 1.31 -2.30 -0.33 0.00 0.00 177.00 176.24 2kuf n PRO 540 N 4.23 2.18 -2.01 5.54 -0.02 -1.26 -4.92 135.00 138.75 2kuf n PRO 540 Ca 0.05 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2kuf n PRO 540 Cb 0.50 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 541 N -1.11 3.55 0.00 3.55 0.00 -1.26 -2.20 121.76 124.30 2kuf s ALA 541 Ca 0.56 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2kuf s ALA 541 Cb -0.55 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2kuf s ALA 541 CO 0.62 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2kuf n GLY 542 N 1.10 0.64 3.78 0.00 0.00 0.09 -4.89 105.19 105.91 2kuf n GLY 542 Ca 0.02 0.00 -0.39 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 -2.14 4.78 -0.02 2.61 2.01 -0.93 -4.76 115.64 117.18 2kuf s THR 543 Ca 0.00 1.30 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 2kuf s THR 543 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2kuf s THR 543 CO 0.00 0.48 0.93 0.28 -0.69 0.00 0.00 174.62 175.62 2kuf s THR 544 N -0.65 4.90 0.29 -0.82 -1.32 -1.26 -2.38 115.64 114.39 2kuf s THR 544 Ca 0.31 1.95 0.08 0.00 -1.21 0.00 0.00 61.69 62.82 2kuf s THR 544 Cb -0.19 -4.27 -0.06 0.00 -1.51 0.00 0.00 72.50 66.47 2kuf s THR 544 CO 0.19 0.17 -0.08 0.68 -2.21 0.00 0.00 174.62 173.37 2kuf s VAL 545 N 1.02 1.87 0.31 5.08 -7.23 0.84 -4.91 120.40 117.38 2kuf s VAL 545 Ca 0.49 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2kuf s VAL 545 Cb -0.20 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.17 2kuf s VAL 545 CO 0.26 -0.30 1.28 -2.84 -0.31 0.00 0.00 175.10 173.18 2kuf s PRO 546 N -3.67 4.40 0.64 4.82 0.02 -1.26 -0.07 135.00 139.87 2kuf s PRO 546 Ca 0.30 2.14 0.41 0.00 0.02 0.00 0.00 61.00 63.87 2kuf s PRO 546 Cb 0.02 -3.10 2.14 0.00 0.02 0.00 0.00 34.50 33.59 2kuf s PRO 546 CO 0.13 -0.14 2.27 -0.24 -0.33 0.00 0.00 177.00 178.69 2kuf h VAL 547 N 3.12 0.03 -0.01 3.83 3.04 -0.94 -1.09 116.25 124.23 2kuf h VAL 547 Ca -0.48 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2kuf h VAL 547 Cb 1.22 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2kuf h VAL 547 CO 0.67 0.00 -0.49 -0.90 -1.01 0.00 0.00 177.57 175.84 2kuf n ASP 548 N -3.12 1.02 -4.90 3.17 5.75 -1.26 -4.31 116.55 112.90 2kuf n ASP 548 Ca -0.02 -0.81 -0.29 0.00 -0.01 0.00 0.00 54.79 53.66 2kuf n ASP 548 Cb 0.13 0.37 0.05 0.00 -1.03 0.00 0.00 41.12 40.64 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2kuf s SER 549 N -2.73 5.32 -0.13 -1.12 0.01 -0.41 -4.81 113.70 109.82 2kuf s SER 549 Ca 0.17 0.93 -0.06 0.00 1.31 0.00 0.00 55.95 58.29 2kuf s SER 549 Cb 0.18 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 2kuf s SER 549 CO 0.64 -1.36 0.09 0.54 0.41 0.00 0.00 173.24 173.56 2kuf s VAL 550 N -3.28 5.09 -0.17 3.43 0.11 -1.26 -2.77 120.40 121.54 2kuf s VAL 550 Ca 0.58 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.60 2kuf s VAL 550 Cb -0.11 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2kuf s VAL 550 CO 0.49 0.58 0.10 -0.63 -3.33 0.00 0.00 175.10 172.30 2kuf s ILE 551 N -0.67 5.10 -0.29 7.04 1.01 0.11 -4.95 121.20 128.55 2kuf s ILE 551 Ca 0.12 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 2kuf s ILE 551 Cb -0.12 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2kuf s ILE 551 CO 0.02 0.49 0.16 -0.70 0.00 0.00 0.00 174.94 174.91 2kuf s GLU 552 N 0.04 3.62 -0.36 2.79 2.12 -1.26 -0.40 118.70 125.25 2kuf s GLU 552 Ca 0.08 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.65 2kuf s GLU 552 Cb -0.12 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2kuf s GLU 552 CO 0.00 -0.30 0.74 -0.51 -0.54 0.00 0.00 175.26 174.66 2kuf s LEU 553 N 1.67 4.17 -0.67 2.70 2.01 0.70 -0.49 118.68 128.77 2kuf s LEU 553 Ca 0.06 0.30 -0.25 0.00 0.01 0.00 0.00 54.13 54.25 2kuf s LEU 553 Cb -0.16 -2.96 0.04 0.00 0.01 0.00 0.00 46.19 43.12 2kuf s LEU 553 CO 0.08 -0.69 1.13 -1.58 1.01 0.00 0.00 176.35 176.29 2kuf s GLN 554 N 2.99 3.23 0.03 1.70 2.00 0.88 -0.73 119.66 129.76 2kuf s GLN 554 Ca 0.29 -0.35 -0.08 0.00 -2.00 0.00 0.00 55.36 53.22 2kuf s GLN 554 Cb -0.14 -4.15 -0.05 0.00 0.80 0.00 0.00 33.01 29.47 2kuf s GLN 554 CO 0.16 -1.89 0.32 0.08 -0.50 0.00 0.00 175.29 173.46 2kuf s VAL 555 N 4.88 5.21 -0.14 1.34 1.01 0.11 -0.94 120.40 131.87 2kuf s VAL 555 Ca 0.32 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 2kuf s VAL 555 Cb -0.11 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2kuf s VAL 555 CO 0.16 0.37 0.23 -0.44 0.00 0.00 0.00 175.10 175.41 2kuf s SER 556 N -1.64 6.41 -0.18 3.32 0.01 -0.04 -0.05 113.70 121.53 2kuf s SER 556 Ca 0.29 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.90 2kuf s SER 556 Cb -0.14 -2.14 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2kuf s SER 556 CO 0.16 0.23 0.24 -1.59 0.41 0.00 0.00 173.24 172.69 2kuf s LYS 557 N -0.13 4.22 0.60 12.44 -2.85 0.88 -2.72 119.74 132.19 2kuf s LYS 557 Ca 0.15 -0.02 0.33 0.00 -1.00 0.00 0.00 55.97 55.43 2kuf s LYS 557 Cb -0.13 -3.44 1.94 0.00 -2.06 0.00 0.00 37.83 34.15 2kuf s LYS 557 CO 0.04 0.23 2.27 0.78 0.10 0.00 0.00 175.35 178.77 2kuf h GLY 558 N 6.78 0.00 0.00 0.59 0.00 -1.55 -0.74 103.07 108.15 2kuf h GLY 558 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2kuf h GLY 558 CO 0.75 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.28 2kuf n ASN 559 N -3.64 0.00 -4.55 0.19 2.85 -1.26 -4.30 115.26 104.54 2kuf n ASN 559 Ca -0.03 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.13 2kuf n ASN 559 Cb 0.09 -0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.00 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kuf s GLN 560 N 0.00 2.38 0.17 1.20 -0.21 -1.26 -0.40 119.66 121.53 2kuf s GLN 560 Ca 0.00 -0.83 0.09 0.00 0.02 0.00 0.00 55.36 54.65 2kuf s GLN 560 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 2kuf s GLN 560 CO 0.00 0.57 -0.20 -0.59 -2.12 0.00 0.00 175.29 172.96 2kuf s PHE 561 N -1.00 1.93 -0.01 0.91 -0.12 0.13 -4.78 117.98 115.05 2kuf s PHE 561 Ca 0.17 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 2kuf s PHE 561 Cb -0.11 -0.97 -0.06 0.00 -0.63 0.00 0.00 43.02 41.25 2kuf s PHE 561 CO 0.08 0.36 1.65 0.54 -0.05 0.00 0.00 175.22 177.80 2kuf s VAL 562 N -1.88 3.41 -0.16 -2.49 0.11 -1.26 -0.32 120.40 117.80 2kuf s VAL 562 Ca 0.16 0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 2kuf s VAL 562 Cb -0.07 -3.41 -0.00 0.00 -1.53 0.00 0.00 36.38 31.37 2kuf s VAL 562 CO 0.07 -0.04 1.06 -0.32 -3.33 0.00 0.00 175.10 172.54 2kuf s MET 563 N 3.52 4.33 0.97 1.54 1.75 -0.10 -4.91 119.30 126.41 2kuf s MET 563 Ca 0.74 1.42 -0.12 0.00 -1.25 0.00 0.00 55.69 56.48 2kuf s MET 563 Cb -0.36 -3.60 0.17 0.00 2.84 0.00 0.00 34.83 33.88 2kuf s MET 563 CO 0.31 -0.49 1.11 -1.25 -0.65 0.00 0.00 175.02 174.05 2kuf s PRO 564 N 2.64 0.69 -0.17 4.11 0.04 -1.26 -0.38 135.00 140.68 2kuf s PRO 564 Ca 0.48 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2kuf s PRO 564 Cb -0.18 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2kuf s PRO 564 CO 0.13 -2.53 1.44 0.16 0.04 0.00 0.00 177.00 176.24 2kuf s ASP 565 N -3.67 6.71 -0.00 6.66 -4.77 -1.26 -4.65 116.67 115.69 2kuf s ASP 565 Ca 0.65 1.74 0.01 0.00 -3.30 0.00 0.00 52.55 51.65 2kuf s ASP 565 Cb -0.17 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.13 2kuf s ASP 565 CO 0.56 -0.96 0.66 0.00 0.70 0.00 0.00 175.17 176.14 2kuf n LEU 566 N 7.29 0.40 -4.78 2.11 -0.00 -1.26 -5.09 117.00 115.67 2kuf n LEU 566 Ca 0.16 -0.55 -0.37 0.00 -0.00 0.00 0.00 56.01 55.25 2kuf n LEU 566 Cb 0.45 -0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 43.79 2kuf n LEU 566 CO 0.60 0.13 0.64 -0.55 -0.00 0.00 0.00 177.39 178.22 2kuf s SER 567 N -0.38 7.34 0.00 1.45 0.15 -1.26 -4.52 113.70 116.48 2kuf s SER 567 Ca 0.01 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2kuf s SER 567 Cb 0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2kuf s SER 567 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2kuf n GLY 568 N 0.61 -0.25 3.85 9.45 0.00 -1.25 -5.08 105.19 112.51 2kuf n GLY 568 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.96 1.84 0.63 1.61 0.23 -1.26 -4.93 119.30 114.47 2kuf s MET 569 Ca 0.00 -1.20 0.03 0.00 -1.03 0.00 0.00 55.69 53.49 2kuf s MET 569 Cb 0.00 0.51 0.09 0.00 -1.53 0.00 0.00 34.83 33.90 2kuf s MET 569 CO 0.00 -0.87 0.87 -0.06 -2.03 0.00 0.00 175.02 172.94 2kuf s PHE 570 N -2.10 1.79 0.24 3.16 0.08 -1.26 -0.71 117.98 119.18 2kuf s PHE 570 Ca 0.19 -0.39 0.15 0.00 0.12 0.00 0.00 56.93 57.00 2kuf s PHE 570 Cb -0.04 -2.68 0.57 0.00 -0.57 0.00 0.00 43.02 40.30 2kuf s PHE 570 CO 0.09 -1.34 1.70 2.35 -0.10 0.00 0.00 175.22 177.92 2kuf h TRP 571 N -0.15 0.00 0.00 0.36 2.91 -1.97 -0.59 115.95 116.52 2kuf h TRP 571 Ca -0.35 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.67 2kuf h TRP 571 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2kuf h TRP 571 CO 0.11 0.47 0.00 1.55 -1.03 0.00 0.00 178.44 179.54 2kuf n VAL 572 N -3.71 0.56 -0.13 2.65 3.14 -1.26 -0.20 118.33 119.39 2kuf n VAL 572 Ca -0.01 0.14 -0.23 0.00 -2.96 0.00 0.00 64.34 61.29 2kuf n VAL 572 Cb 0.53 -0.85 -0.10 0.00 -1.06 0.00 0.00 33.84 32.36 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 -1.34 1.97 -0.10 6.55 9.92 -0.66 -4.48 116.55 128.41 2kuf n ASP 573 Ca 0.07 0.10 -0.10 0.00 -0.53 0.00 0.00 54.79 54.33 2kuf n ASP 573 Cb 0.15 -0.58 -0.02 0.00 -0.64 0.00 0.00 41.12 40.03 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kuf h ALA 574 N -0.48 0.42 -0.00 2.24 0.00 -0.52 -1.98 119.26 118.93 2kuf h ALA 574 Ca -0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 2kuf h ALA 574 Cb 1.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2kuf h ALA 574 CO -0.25 0.02 0.00 1.49 0.00 0.00 0.00 179.25 180.51 2kuf h GLU 575 N 0.37 0.01 -0.42 0.00 4.81 -0.85 0.13 114.58 118.64 2kuf h GLU 575 Ca 0.11 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kuf h GLU 575 Cb 0.18 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2kuf h GLU 575 CO -0.01 0.21 0.21 -1.35 -0.73 0.00 0.00 179.01 177.35 2kuf h PRO 576 N -0.20 0.57 -0.17 0.92 0.11 -1.77 -1.68 132.00 129.77 2kuf h PRO 576 Ca 0.00 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2kuf h PRO 576 Cb 0.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2kuf h PRO 576 CO -0.00 0.43 -0.39 0.00 -0.21 0.00 0.00 178.00 177.83 2kuf h ARG 577 N 0.58 0.39 -0.11 1.05 2.47 -1.08 -0.86 114.38 116.82 2kuf h ARG 577 Ca 0.15 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2kuf h ARG 577 Cb 0.04 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2kuf h ARG 577 CO -0.02 0.72 0.07 1.25 0.56 0.00 0.00 179.97 182.55 2kuf h LEU 578 N 0.33 0.13 -0.55 3.04 6.46 0.15 0.30 115.31 125.17 2kuf h LEU 578 Ca 0.03 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.68 2kuf h LEU 578 Cb 0.83 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 2kuf h LEU 578 CO 0.07 0.12 -0.00 0.08 -0.62 0.00 0.00 178.44 178.08 2kuf h ARG 579 N 0.13 0.97 -0.38 1.25 0.11 -1.32 0.18 114.38 115.32 2kuf h ARG 579 Ca 0.04 -0.31 -0.11 0.00 0.10 0.00 0.00 59.98 59.70 2kuf h ARG 579 Cb 0.01 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 2kuf h ARG 579 CO -0.01 0.98 -0.20 0.00 0.10 0.00 0.00 179.97 180.84 2kuf h ALA 580 N 0.96 0.94 -0.00 0.08 0.00 -0.77 -2.58 119.26 117.88 2kuf h ALA 580 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kuf h ALA 580 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kuf h ALA 580 CO 0.03 0.61 -0.35 1.47 0.00 0.00 0.00 179.25 181.01 2kuf n LEU 581 N -4.12 0.43 -2.09 0.00 -0.00 0.10 -4.93 117.00 106.39 2kuf n LEU 581 Ca 0.00 0.09 -0.09 0.00 -0.00 0.00 0.00 56.01 56.01 2kuf n LEU 581 Cb 0.41 -0.29 0.04 0.00 -0.00 0.00 0.00 43.42 43.59 2kuf n LEU 581 CO 0.44 0.10 0.07 0.61 -0.00 0.00 0.00 177.39 178.61 2kuf n GLY 582 N 1.47 0.12 3.70 1.47 0.00 -0.75 -4.97 105.19 106.24 2kuf n GLY 582 Ca 0.07 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.16 3.16 -0.15 1.61 -0.00 0.54 -4.91 118.94 116.03 2kuf s TRP 583 Ca 0.09 1.11 0.18 0.00 -0.00 0.00 0.00 56.10 57.49 2kuf s TRP 583 Cb -0.04 -3.50 -0.11 0.00 -0.00 0.00 0.00 33.47 29.82 2kuf s TRP 583 CO 0.35 -1.69 0.86 0.25 -0.00 0.00 0.00 176.95 176.72 2kuf n THR 584 N 4.41 1.04 -1.82 5.86 -2.24 -1.26 -4.87 114.28 115.39 2kuf n THR 584 Ca 0.11 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 2kuf n THR 584 Cb 0.45 -0.63 0.07 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.35 -0.46 3.45 3.38 0.00 -0.18 -5.02 105.19 107.72 2kuf n GLY 585 Ca -0.08 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.99 1.73 -0.51 1.61 1.75 -1.26 -4.99 119.30 113.64 2kuf s MET 586 Ca 0.32 -1.19 -0.28 0.00 -1.25 0.00 0.00 55.69 53.28 2kuf s MET 586 Cb -0.01 -2.07 0.03 0.00 2.84 0.00 0.00 34.83 35.62 2kuf s MET 586 CO 0.22 0.48 1.13 -1.17 -0.65 0.00 0.00 175.02 175.03 2kuf s LEU 587 N -1.98 3.63 -0.26 4.11 0.20 -1.26 -4.33 118.68 118.79 2kuf s LEU 587 Ca 0.16 0.31 -0.08 0.00 0.69 0.00 0.00 54.13 55.21 2kuf s LEU 587 Cb -0.10 -3.39 -0.03 0.00 -0.43 0.00 0.00 46.19 42.24 2kuf s LEU 587 CO 0.08 -1.30 0.09 -0.62 -0.29 0.00 0.00 176.35 174.31 2kuf s ASP 588 N 2.59 5.27 -0.11 3.68 2.15 -1.18 -5.06 116.67 124.01 2kuf s ASP 588 Ca 0.45 -0.24 -0.01 0.00 0.43 0.00 0.00 52.55 53.18 2kuf s ASP 588 Cb -0.08 -1.95 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 2kuf s ASP 588 CO 0.29 -0.06 -0.09 -1.59 -0.17 0.00 0.00 175.17 173.55 2kuf s LYS 589 N 1.63 3.23 0.00 4.34 0.00 -1.25 -1.29 119.74 126.40 2kuf s LYS 589 Ca 0.06 -0.61 0.10 0.00 0.00 0.00 0.00 55.97 55.52 2kuf s LYS 589 Cb -0.15 -2.67 -0.01 0.00 0.00 0.00 0.00 37.83 34.99 2kuf s LYS 589 CO 0.05 0.36 0.62 0.41 0.00 0.00 0.00 175.35 176.79 2kuf n GLY 590 N 3.11 -0.13 2.79 0.59 0.00 -1.19 -4.96 105.19 105.40 2kuf n GLY 590 Ca -0.18 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.41 0.14 -0.16 4.61 0.00 -1.26 -5.11 121.76 118.57 2kuf s ALA 591 Ca 0.08 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 2kuf s ALA 591 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2kuf s ALA 591 CO 0.27 -0.09 0.83 -0.51 0.00 0.00 0.00 175.76 176.26 2kuf s ASP 592 N 0.99 6.97 -0.16 0.00 1.11 -1.26 -3.88 116.67 120.45 2kuf s ASP 592 Ca -0.09 1.19 -0.06 0.00 0.18 0.00 0.00 52.55 53.77 2kuf s ASP 592 Cb -0.12 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2kuf s ASP 592 CO -0.02 -0.38 0.04 -0.69 1.18 0.00 0.00 175.17 175.30 2kuf s VAL 593 N 2.04 4.65 -0.18 -1.27 1.01 -0.93 -4.79 120.40 120.93 2kuf s VAL 593 Ca 0.39 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 2kuf s VAL 593 Cb -0.17 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2kuf s VAL 593 CO 0.13 0.49 0.90 1.51 0.00 0.00 0.00 175.10 178.14 2kuf s ASP 594 N 0.12 7.02 0.04 3.32 -4.77 -1.26 0.60 116.67 121.74 2kuf s ASP 594 Ca 0.04 1.26 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 2kuf s ASP 594 Cb -0.12 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2kuf s ASP 594 CO 0.01 -0.47 0.00 0.00 0.70 0.00 0.00 175.17 175.41 2kuf n ALA 595 N 5.46 1.88 0.00 2.11 0.00 -1.26 -4.94 120.51 123.76 2kuf n ALA 595 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kuf n ALA 595 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.38 0.46 0.36 0.00 0.00 -1.26 -4.40 105.19 100.72 2kuf n GLY 596 Ca 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 1.15 2.00 -0.02 0.00 -1.94 -2.49 103.07 101.76 2kuf h GLY 597 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2kuf h GLY 597 CO 0.00 0.29 -0.37 1.76 0.00 0.00 0.00 176.54 178.23 2kuf h SER 598 N 0.94 0.00 -0.01 0.19 0.02 -2.02 -2.51 113.55 110.16 2kuf h SER 598 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2kuf h SER 598 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2kuf h SER 598 CO -0.11 0.37 -0.00 0.00 -1.14 0.00 0.00 176.83 175.94 2kuf n GLN 599 N -3.32 1.60 -1.65 3.45 1.13 -0.96 -4.95 117.38 112.69 2kuf n GLN 599 Ca 0.01 -0.88 -0.00 0.00 -1.94 0.00 0.00 57.00 54.19 2kuf n GLN 599 Cb 0.59 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 0.07 -0.48 -2.63 1.08 8.25 -0.94 -4.92 115.22 115.64 2kuf n HIS 600 Ca 0.19 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 2kuf n HIS 600 Cb 0.33 -1.80 -0.02 0.00 1.12 0.00 0.00 29.99 29.62 2kuf n HIS 600 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2kuf s ASN 601 N -0.22 6.67 0.41 0.41 2.47 -1.13 -4.85 114.94 118.70 2kuf s ASN 601 Ca 0.00 -1.95 0.07 0.00 0.42 0.00 0.00 52.86 51.41 2kuf s ASN 601 Cb -0.00 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2kuf s ASN 601 CO 0.09 -1.30 0.25 0.00 -3.72 0.00 0.00 177.10 172.42 2kuf s ARG 602 N 4.26 2.33 0.10 0.43 1.70 -1.26 -4.29 118.95 122.23 2kuf s ARG 602 Ca 0.47 -1.74 -0.30 0.00 -0.47 0.00 0.00 55.73 53.69 2kuf s ARG 602 Cb 0.01 -2.11 -0.06 0.00 -0.57 0.00 0.00 34.95 32.21 2kuf s ARG 602 CO -0.03 -0.14 1.05 0.08 -1.08 0.00 0.00 175.30 175.17 2kuf s VAL 603 N -2.56 4.31 -0.10 4.99 1.01 0.12 -1.60 120.40 126.57 2kuf s VAL 603 Ca 0.43 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 64.24 2kuf s VAL 603 Cb 0.02 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2kuf s VAL 603 CO 0.24 0.24 -0.10 1.33 0.00 0.00 0.00 175.10 176.81 2kuf n VAL 604 N 3.08 0.58 -3.88 2.92 0.24 -0.95 -3.88 118.33 116.45 2kuf n VAL 604 Ca 0.04 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 2kuf n VAL 604 Cb 0.48 -1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.20 0.07 0.01 6.34 5.04 -1.07 -4.87 117.35 120.66 2kuf s TYR 605 Ca -0.14 -0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2kuf s TYR 605 Cb 0.04 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.28 2kuf s TYR 605 CO 0.22 -0.31 -0.01 1.14 -1.34 0.00 0.00 175.55 175.25 2kuf s GLN 606 N -1.65 0.15 0.03 4.97 -2.07 -1.26 -0.13 119.66 119.70 2kuf s GLN 606 Ca -0.13 -0.28 -0.25 0.00 -1.82 0.00 0.00 55.36 52.88 2kuf s GLN 606 Cb -0.06 0.05 -0.17 0.00 -1.09 0.00 0.00 33.01 31.74 2kuf s GLN 606 CO 0.00 -0.02 1.45 -0.97 -1.32 0.00 0.00 175.29 174.43 2kuf h ASN 607 N 5.45 -0.16 -3.45 12.60 -1.24 -1.75 -3.40 115.58 123.62 2kuf h ASN 607 Ca -0.28 -0.19 -0.60 0.00 0.71 0.00 0.00 56.30 55.94 2kuf h ASN 607 Cb 1.21 0.04 -0.10 0.00 0.73 0.00 0.00 38.32 40.21 2kuf h ASN 607 CO 0.46 0.10 0.51 -2.84 -1.29 0.00 0.00 177.43 174.37 2kuf s PRO 608 N -5.19 3.90 0.59 6.67 0.02 -1.26 -5.04 135.00 134.69 2kuf s PRO 608 Ca -0.15 0.59 -0.17 0.00 0.02 0.00 0.00 61.00 61.29 2kuf s PRO 608 Cb 0.03 -3.77 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 2kuf s PRO 608 CO 0.63 -0.82 1.11 -2.14 -0.33 0.00 0.00 177.00 175.46 2kuf s PRO 609 N 3.22 3.15 0.30 5.54 0.02 -1.26 -4.96 135.00 141.00 2kuf s PRO 609 Ca 0.35 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 2kuf s PRO 609 Cb -0.13 -1.99 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 2kuf s PRO 609 CO 0.15 -0.99 1.54 0.00 -0.33 0.00 0.00 177.00 177.37 2kuf n ALA 610 N -1.78 2.25 0.00 -1.55 0.00 -1.26 -2.04 120.51 116.13 2kuf n ALA 610 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kuf n ALA 610 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2kuf n ALA 610 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 611 N 1.90 0.33 3.86 0.00 0.00 0.49 -4.97 105.19 106.81 2kuf n GLY 611 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 5.07 0.13 2.61 2.01 -0.86 -4.65 115.64 117.94 2kuf s THR 612 Ca 0.00 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 2kuf s THR 612 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 2kuf s THR 612 CO 0.00 0.32 1.33 -0.83 -0.69 0.00 0.00 174.62 174.75 2kuf s GLY 613 N -1.67 2.20 0.00 4.40 0.00 -1.26 -0.92 107.32 110.07 2kuf s GLY 613 Ca 0.32 1.06 0.07 0.00 0.00 0.00 0.00 44.72 46.16 2kuf s GLY 613 CO 0.17 2.20 -0.20 -1.34 0.00 0.00 0.00 173.10 173.93 2kuf s VAL 614 N 0.82 1.61 1.11 1.40 -7.23 0.56 -4.82 120.40 113.86 2kuf s VAL 614 Ca 0.61 -0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 59.62 2kuf s VAL 614 Cb -0.35 -1.36 0.12 0.00 0.56 0.00 0.00 36.38 35.34 2kuf s VAL 614 CO 0.32 0.37 0.02 -0.46 -0.31 0.00 0.00 175.10 175.04 2kuf n ASN 615 N 2.34 -2.56 0.10 4.85 6.94 -1.26 -0.69 115.26 124.98 2kuf n ASN 615 Ca -0.16 -0.20 0.19 0.00 -0.02 0.00 0.00 54.58 54.40 2kuf n ASN 615 Cb 0.53 -0.90 0.75 0.00 -2.36 0.00 0.00 39.78 37.80 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 -2.20 0.00 -0.00 -3.83 0.11 -1.11 0.44 114.38 107.79 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 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2kuf h ARG 616 CO 0.34 0.00 -0.32 -0.25 0.10 0.00 0.00 179.97 179.84 2kuf n ASP 617 N -3.96 0.53 -0.88 0.08 8.00 -1.26 -4.75 116.55 114.31 2kuf n ASP 617 Ca 0.06 -0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.13 2kuf n ASP 617 Cb 0.52 0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 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 1.43 1.21 3.66 0.44 0.00 0.15 -1.01 105.19 111.08 2kuf n GLY 618 Ca 0.08 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.27 3.90 -0.06 -0.61 -1.16 -1.26 -4.88 121.20 114.85 2kuf s ILE 619 Ca 0.00 1.08 0.04 0.00 -0.51 0.00 0.00 60.65 61.26 2kuf s ILE 619 Cb 0.00 -3.73 -0.00 0.00 0.61 0.00 0.00 42.46 39.34 2kuf s ILE 619 CO 0.00 -0.13 -0.20 0.27 -2.81 0.00 0.00 174.94 172.07 2kuf s ILE 620 N 3.96 1.66 -0.25 2.00 -5.25 -1.26 -4.87 121.20 117.19 2kuf s ILE 620 Ca 0.65 -0.82 -0.09 0.00 -0.99 0.00 0.00 60.65 59.39 2kuf s ILE 620 Cb -0.27 -1.43 -0.04 0.00 2.95 0.00 0.00 42.46 43.66 2kuf s ILE 620 CO 0.23 0.47 0.12 0.28 -1.79 0.00 0.00 174.94 174.25 2kuf s THR 621 N 0.16 4.87 0.23 8.37 -1.32 -1.26 -3.13 115.64 123.55 2kuf s THR 621 Ca -0.09 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2kuf s THR 621 Cb -0.14 -3.28 -0.05 0.00 -1.51 0.00 0.00 72.50 67.53 2kuf s THR 621 CO 0.04 0.33 0.10 -1.48 -2.21 0.00 0.00 174.62 171.41 2kuf s LEU 622 N 1.36 1.50 -0.04 9.08 -0.00 -0.41 -1.89 118.68 128.28 2kuf s LEU 622 Ca 0.06 -1.36 0.04 0.00 -0.00 0.00 0.00 54.13 52.87 2kuf s LEU 622 Cb -0.15 0.15 -0.00 0.00 -0.00 0.00 0.00 46.19 46.19 2kuf s LEU 622 CO 0.06 -0.76 -0.17 0.00 -0.00 0.00 0.00 176.35 175.47 2kuf s ARG 623 N -4.07 1.75 0.20 1.48 1.70 0.82 -3.15 118.95 117.68 2kuf s ARG 623 Ca 0.37 -0.62 -0.04 0.00 -0.47 0.00 0.00 55.73 54.97 2kuf s ARG 623 Cb 0.07 -1.54 -0.03 0.00 -0.57 0.00 0.00 34.95 32.88 2kuf s ARG 623 CO 0.12 0.26 0.20 -0.59 -1.08 0.00 0.00 175.30 174.21 2kuf s PHE 624 N -0.02 0.90 -0.39 5.89 -0.71 -1.25 -2.24 117.98 120.17 2kuf s PHE 624 Ca -0.03 -1.18 -0.36 0.00 -1.04 0.00 0.00 56.93 54.32 2kuf s PHE 624 Cb -0.11 -0.36 -0.12 0.00 -1.21 0.00 0.00 43.02 41.22 2kuf s PHE 624 CO 0.02 -0.70 2.20 0.41 -1.34 0.00 0.00 175.22 175.81 2kuf n GLY 625 N -0.27 0.38 3.68 1.99 0.00 -0.63 -2.18 105.19 108.16 2kuf n GLY 625 Ca -0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2kuf n GLY 625 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26