#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 3.76 -0.37 1.61 0.02 -1.26 -4.95 135.00 133.81 2kuf s PRO 492 Ca 0.00 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.49 2kuf s PRO 492 Cb 0.00 -2.69 0.44 0.00 0.02 0.00 0.00 34.50 32.27 2kuf s PRO 492 CO 0.00 -0.75 1.12 0.00 -0.33 0.00 0.00 177.00 177.04 2kuf n ALA 493 N -0.10 4.72 -2.62 -1.55 0.00 -1.26 -5.00 120.51 114.70 2kuf n ALA 493 Ca 0.05 -3.94 -0.21 0.00 0.00 0.00 0.00 53.44 49.34 2kuf n ALA 493 Cb 0.42 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.18 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 -4.89 0.94 -0.09 0.00 -4.23 -1.26 0.84 115.64 106.95 2kuf s THR 494 Ca 0.45 -0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 2kuf s THR 494 Cb 0.40 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 73.49 2kuf s THR 494 CO -0.09 0.25 0.37 -0.75 -0.54 0.00 0.00 174.62 173.86 2kuf s LYS 495 N -0.32 0.55 0.02 3.99 2.36 -0.38 -4.83 119.74 121.13 2kuf s LYS 495 Ca 0.04 0.24 -0.30 0.00 -2.55 0.00 0.00 55.97 53.40 2kuf s LYS 495 Cb -0.05 0.26 -0.04 0.00 -1.05 0.00 0.00 37.83 36.95 2kuf s LYS 495 CO -0.00 -0.11 1.03 0.16 1.55 0.00 0.00 175.35 177.97 2kuf s ASP 496 N -0.44 7.30 -0.01 1.43 -4.77 -1.26 -1.90 116.67 117.02 2kuf s ASP 496 Ca -0.06 1.75 -0.22 0.00 -3.30 0.00 0.00 52.55 50.72 2kuf s ASP 496 Cb -0.04 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 2kuf s ASP 496 CO 0.02 -0.31 0.66 0.27 0.70 0.00 0.00 175.17 176.52 2kuf s ILE 497 N 0.99 4.89 1.04 2.11 -4.36 -1.05 -4.90 121.20 119.92 2kuf s ILE 497 Ca 0.53 1.39 -0.13 0.00 -0.26 0.00 0.00 60.65 62.19 2kuf s ILE 497 Cb -0.23 -4.01 0.21 0.00 1.25 0.00 0.00 42.46 39.68 2kuf s ILE 497 CO 0.28 0.37 1.09 -2.16 0.24 0.00 0.00 174.94 174.76 2kuf s PRO 498 N 0.07 0.09 -1.19 0.37 0.04 -1.26 0.65 135.00 133.77 2kuf s PRO 498 Ca 0.34 0.43 -0.20 0.00 0.04 0.00 0.00 61.00 61.61 2kuf s PRO 498 Cb -0.19 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.68 2kuf s PRO 498 CO 0.19 -2.94 1.70 0.16 0.04 0.00 0.00 177.00 176.15 2kuf s ASP 499 N -3.48 6.41 0.00 6.66 -4.77 -1.26 -4.47 116.67 115.76 2kuf s ASP 499 Ca 0.66 -1.98 0.27 0.00 -3.30 0.00 0.00 52.55 48.21 2kuf s ASP 499 Cb -0.18 -2.58 0.93 0.00 -1.09 0.00 0.00 42.92 40.01 2kuf s ASP 499 CO 0.58 -1.61 1.69 1.33 0.70 0.00 0.00 175.17 177.85 2kuf n VAL 500 N 6.80 0.00 -2.24 2.11 0.24 -1.26 -4.74 118.33 119.24 2kuf n VAL 500 Ca 0.44 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.34 62.28 2kuf n VAL 500 Cb 0.47 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.68 2.50 0.00 2.33 0.00 -1.26 -3.15 121.76 119.50 2kuf s ALA 501 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2kuf s ALA 501 Cb 0.19 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2kuf s ALA 501 CO 0.55 -3.44 0.00 0.41 0.00 0.00 0.00 175.76 173.28 2kuf n GLY 502 N 5.50 2.21 0.00 0.00 0.00 -1.12 -4.97 105.19 106.80 2kuf n GLY 502 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2kuf n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kuf n GLN 503 N 0.00 1.25 -1.75 1.61 0.00 -1.19 -4.83 117.38 112.47 2kuf n GLN 503 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 2kuf n GLN 503 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.29 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 0.95 3.30 0.19 -0.39 2.01 -1.26 -2.09 115.64 118.35 2kuf s THR 504 Ca 0.00 0.59 -0.10 0.00 0.31 0.00 0.00 61.69 62.49 2kuf s THR 504 Cb 0.00 -3.11 0.11 0.00 0.01 0.00 0.00 72.50 69.51 2kuf s THR 504 CO 0.00 -0.39 1.75 1.62 -0.69 0.00 0.00 174.62 176.92 2kuf h VAL 505 N -0.02 1.24 -0.72 3.82 3.04 -0.41 0.24 116.25 123.45 2kuf h VAL 505 Ca -0.47 -0.76 0.01 0.00 -1.01 0.00 0.00 66.70 64.48 2kuf h VAL 505 Cb 1.24 0.45 -0.04 0.00 -2.01 0.00 0.00 31.29 30.94 2kuf h VAL 505 CO 0.54 0.30 0.47 -0.78 -1.01 0.00 0.00 177.57 177.10 2kuf h ASP 506 N 0.98 0.82 -0.22 3.17 3.58 -1.92 0.30 116.42 123.12 2kuf h ASP 506 Ca 0.23 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 2kuf h ASP 506 Cb 0.20 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2kuf h ASP 506 CO -0.02 0.59 -0.10 0.58 -2.88 0.00 0.00 179.24 177.40 2kuf h VAL 507 N 0.96 1.30 -0.50 2.25 2.07 -1.83 -0.92 116.25 119.59 2kuf h VAL 507 Ca 0.27 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.64 2kuf h VAL 507 Cb -0.10 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2kuf h VAL 507 CO -0.06 0.36 0.30 0.00 0.02 0.00 0.00 177.57 178.18 2kuf h ALA 508 N 0.71 0.64 -0.33 1.67 0.00 0.08 0.28 119.26 122.31 2kuf h ALA 508 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kuf h ALA 508 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kuf h ALA 508 CO 0.03 0.00 0.10 1.96 0.00 0.00 0.00 179.25 181.34 2kuf h GLN 509 N 0.60 0.51 -0.42 0.00 4.20 -0.31 -0.22 115.11 119.47 2kuf h GLN 509 Ca 0.20 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2kuf h GLN 509 Cb 0.01 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2kuf h GLN 509 CO -0.09 0.55 -0.18 1.57 -0.67 0.00 0.00 178.83 180.01 2kuf h LYS 510 N 0.37 0.80 0.02 1.46 5.09 -0.86 -1.39 116.57 122.06 2kuf h LYS 510 Ca 0.10 -0.30 -0.00 0.00 0.09 0.00 0.00 60.65 60.54 2kuf h LYS 510 Cb 0.26 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.54 2kuf h LYS 510 CO -0.00 0.92 -0.01 -0.91 -2.09 0.00 0.00 179.45 177.36 2kuf h ASN 511 N 0.71 -0.02 -0.16 7.07 4.21 -0.10 0.42 115.58 127.70 2kuf h ASN 511 Ca 0.11 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.48 2kuf h ASN 511 Cb 0.69 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2kuf h ASN 511 CO 0.05 0.01 -0.28 0.17 -1.29 0.00 0.00 177.43 176.09 2kuf h LEU 512 N -0.05 0.65 -0.76 1.61 8.10 -1.01 -2.93 115.31 120.92 2kuf h LEU 512 Ca -0.00 -0.24 -0.09 0.00 0.11 0.00 0.00 57.88 57.66 2kuf h LEU 512 Cb 0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 2kuf h LEU 512 CO 0.00 0.90 -0.02 -1.13 -4.11 0.00 0.00 178.44 174.08 2kuf h ASN 513 N 0.55 0.90 -0.33 0.17 -0.00 -0.82 0.15 115.58 116.20 2kuf h ASN 513 Ca 0.07 -0.25 0.01 0.00 -0.00 0.00 0.00 56.30 56.14 2kuf h ASN 513 Cb 0.76 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.82 2kuf h ASN 513 CO 0.06 0.97 0.22 0.58 -0.00 0.00 0.00 177.43 179.26 2kuf h VAL 514 N 0.85 1.06 -0.27 2.57 2.07 -0.74 0.38 116.25 122.17 2kuf h VAL 514 Ca 0.15 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2kuf h VAL 514 Cb 0.53 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2kuf h VAL 514 CO 0.03 0.07 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 2kuf n TYR 515 N -4.49 0.72 0.06 1.57 4.01 -0.84 -4.75 117.16 113.45 2kuf n TYR 515 Ca 0.02 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.02 2kuf n TYR 515 Cb 0.10 -0.21 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 -0.20 -0.28 3.38 2.72 0.00 0.47 -4.93 105.19 106.35 2kuf n GLY 516 Ca 0.17 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.88 -2.58 -2.22 1.61 3.72 0.13 -4.99 117.46 110.24 2kuf n PHE 517 Ca 0.00 0.89 -0.05 0.00 -0.05 0.00 0.00 57.45 58.23 2kuf n PHE 517 Cb 0.00 -4.69 0.03 0.00 -0.94 0.00 0.00 39.48 33.88 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 -4.79 0.00 -4.40 4.37 -2.24 -1.26 -4.99 114.28 100.97 2kuf n THR 518 Ca -0.01 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 2kuf n THR 518 Cb 0.56 -1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 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 -3.07 2.80 0.08 -0.78 3.01 -1.22 -4.96 119.74 115.60 2kuf s LYS 519 Ca 0.15 -0.55 0.05 0.00 -1.01 0.00 0.00 55.97 54.61 2kuf s LYS 519 Cb -0.01 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.11 2kuf s LYS 519 CO 0.10 0.65 -0.13 -0.59 0.51 0.00 0.00 175.35 175.90 2kuf s PHE 520 N -0.96 1.16 0.01 3.18 -0.12 -1.26 -0.12 117.98 119.87 2kuf s PHE 520 Ca 0.16 -0.53 -0.00 0.00 -0.05 0.00 0.00 56.93 56.51 2kuf s PHE 520 Cb -0.11 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2kuf s PHE 520 CO 0.06 0.05 -0.01 -1.54 -0.05 0.00 0.00 175.22 173.72 2kuf s SER 521 N -2.01 0.14 -0.11 1.98 1.04 0.99 -4.86 113.70 110.87 2kuf s SER 521 Ca 0.01 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2kuf s SER 521 Cb -0.07 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2kuf s SER 521 CO 0.02 -0.20 -0.23 0.00 0.98 0.00 0.00 173.24 173.81 2kuf s GLN 522 N -0.93 3.06 -0.18 4.02 -2.07 -1.26 -0.17 119.66 122.12 2kuf s GLN 522 Ca -0.10 -0.87 0.01 0.00 -1.82 0.00 0.00 55.36 52.58 2kuf s GLN 522 Cb -0.06 -2.33 0.03 0.00 -1.09 0.00 0.00 33.01 29.56 2kuf s GLN 522 CO -0.01 0.16 -0.18 0.00 -1.32 0.00 0.00 175.29 173.95 2kuf s ALA 523 N 0.39 2.25 0.00 2.60 0.00 0.70 -4.94 121.76 122.77 2kuf s ALA 523 Ca -0.17 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.39 2kuf s ALA 523 Cb -0.18 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 2kuf s ALA 523 CO 0.08 -0.47 0.51 -1.12 0.00 0.00 0.00 175.76 174.76 2kuf s SER 524 N 1.31 6.91 0.07 0.00 0.01 -1.26 -0.03 113.70 120.71 2kuf s SER 524 Ca 0.03 1.08 0.06 0.00 1.31 0.00 0.00 55.95 58.43 2kuf s SER 524 Cb -0.14 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2kuf s SER 524 CO -0.12 0.20 -0.16 -0.69 0.41 0.00 0.00 173.24 172.89 2kuf s VAL 525 N -0.59 1.29 0.14 3.43 1.01 0.84 -4.90 120.40 121.62 2kuf s VAL 525 Ca 0.27 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2kuf s VAL 525 Cb -0.18 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 2kuf s VAL 525 CO 0.15 -0.13 0.95 1.51 0.00 0.00 0.00 175.10 177.59 2kuf s ASP 526 N -1.66 7.52 0.27 3.32 -4.77 -1.26 -0.24 116.67 119.86 2kuf s ASP 526 Ca 0.01 1.82 -0.21 0.00 -3.30 0.00 0.00 52.55 50.87 2kuf s ASP 526 Cb -0.10 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.16 2kuf s ASP 526 CO 0.03 -0.02 0.70 -0.44 0.70 0.00 0.00 175.17 176.14 2kuf s SER 527 N -0.24 -0.26 0.20 2.11 0.01 0.11 -4.86 113.70 110.77 2kuf s SER 527 Ca 0.46 -0.62 0.23 0.00 1.31 0.00 0.00 55.95 57.33 2kuf s SER 527 Cb -0.24 0.72 0.91 0.00 0.21 0.00 0.00 66.02 67.62 2kuf s SER 527 CO 0.30 -1.33 1.71 -2.65 0.41 0.00 0.00 173.24 171.68 2kuf n PRO 528 N -0.45 0.17 -2.44 12.44 -0.02 -1.26 -3.90 135.00 139.55 2kuf n PRO 528 Ca -0.04 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 2kuf n PRO 528 Cb 0.59 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.20 4.32 0.49 -0.52 0.52 -1.26 -4.86 118.95 114.43 2kuf s ARG 529 Ca 0.07 1.73 -0.24 0.00 -0.52 0.00 0.00 55.73 56.77 2kuf s ARG 529 Cb 0.11 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 2kuf s ARG 529 CO 0.44 -0.06 1.37 -1.25 0.02 0.00 0.00 175.30 175.82 2kuf s PRO 530 N -2.03 3.48 -0.52 3.54 0.04 -1.26 -2.31 135.00 135.93 2kuf s PRO 530 Ca 0.52 2.27 -0.26 0.00 0.04 0.00 0.00 61.00 63.57 2kuf s PRO 530 Cb -0.29 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 2kuf s PRO 530 CO 0.36 -0.93 2.38 0.00 0.04 0.00 0.00 177.00 178.85 2kuf s ALA 531 N -1.27 1.58 0.00 8.56 0.00 -1.19 -2.27 121.76 127.16 2kuf s ALA 531 Ca 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2kuf s ALA 531 Cb -0.41 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.35 2kuf s ALA 531 CO 0.50 -4.56 0.00 0.41 0.00 0.00 0.00 175.76 172.12 2kuf n GLY 532 N 6.05 0.44 3.74 0.00 0.00 -0.96 -4.91 105.19 109.55 2kuf n GLY 532 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 4.81 -0.38 1.61 2.12 -0.96 0.34 118.70 126.23 2kuf s GLU 533 Ca 0.00 1.48 -0.20 0.00 0.36 0.00 0.00 54.97 56.61 2kuf s GLU 533 Cb 0.00 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.09 2kuf s GLU 533 CO 0.00 0.43 0.60 0.54 -0.54 0.00 0.00 175.26 176.29 2kuf s VAL 534 N -0.82 4.91 0.29 3.70 0.11 -0.89 -0.66 120.40 127.03 2kuf s VAL 534 Ca 0.43 0.36 0.05 0.00 -2.93 0.00 0.00 61.98 59.88 2kuf s VAL 534 Cb -0.25 -4.09 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2kuf s VAL 534 CO 0.31 -0.38 1.70 0.74 -3.33 0.00 0.00 175.10 174.14 2kuf h THR 535 N 5.72 1.29 0.00 5.04 2.02 -1.18 -2.98 112.91 122.83 2kuf h THR 535 Ca -0.26 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2kuf h THR 535 Cb 1.11 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2kuf h THR 535 CO 0.84 0.44 0.00 0.61 0.37 0.00 0.00 175.52 177.78 2kuf n GLY 536 N -0.23 -0.48 3.47 2.16 0.00 -1.21 -4.79 105.19 104.11 2kuf n GLY 536 Ca -0.01 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 2.63 -0.02 2.61 -4.23 -1.26 -0.45 115.64 112.92 2kuf s THR 537 Ca 0.00 -1.88 -0.24 0.00 -1.18 0.00 0.00 61.69 58.40 2kuf s THR 537 Cb 0.00 -2.27 -0.20 0.00 1.34 0.00 0.00 72.50 71.37 2kuf s THR 537 CO 0.00 -0.09 1.19 -1.13 -0.54 0.00 0.00 174.62 174.04 2kuf h ASN 538 N 3.18 0.19 -2.93 3.99 -1.24 -1.89 -3.42 115.58 113.46 2kuf h ASN 538 Ca -0.47 -0.61 -0.52 0.00 0.71 0.00 0.00 56.30 55.41 2kuf h ASN 538 Cb 1.20 -0.06 0.06 0.00 0.73 0.00 0.00 38.32 40.25 2kuf h ASN 538 CO 0.49 0.77 0.91 -2.84 -1.29 0.00 0.00 177.43 175.47 2kuf s PRO 539 N -3.79 4.18 0.32 6.67 0.02 -1.26 -4.94 135.00 136.19 2kuf s PRO 539 Ca -0.15 2.47 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 2kuf s PRO 539 Cb 0.02 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 2kuf s PRO 539 CO 0.72 -0.63 1.25 -2.14 -0.33 0.00 0.00 177.00 175.87 2kuf s PRO 540 N 0.68 4.44 0.19 5.54 0.02 -1.26 -4.98 135.00 139.63 2kuf s PRO 540 Ca 0.69 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 2kuf s PRO 540 Cb -0.46 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 30.87 2kuf s PRO 540 CO 0.36 -0.07 1.35 0.00 -0.33 0.00 0.00 177.00 178.30 2kuf s ALA 541 N -1.14 3.56 0.00 -1.55 0.00 -1.26 -2.25 121.76 119.12 2kuf s ALA 541 Ca 0.48 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2kuf s ALA 541 Cb -0.38 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2kuf s ALA 541 CO 0.50 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2kuf n GLY 542 N 2.56 3.14 3.80 0.00 0.00 0.21 -4.92 105.19 109.97 2kuf n GLY 542 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 4.66 -0.03 2.61 2.01 -0.95 -4.66 115.64 117.13 2kuf s THR 543 Ca 0.00 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 2kuf s THR 543 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2kuf s THR 543 CO 0.00 0.53 1.33 0.28 -0.69 0.00 0.00 174.62 176.08 2kuf s THR 544 N -1.02 3.93 0.27 -0.82 -1.32 -1.26 -2.52 115.64 112.89 2kuf s THR 544 Ca 0.31 1.27 0.07 0.00 -1.21 0.00 0.00 61.69 62.13 2kuf s THR 544 Cb -0.20 -3.82 -0.06 0.00 -1.51 0.00 0.00 72.50 66.91 2kuf s THR 544 CO 0.21 -0.01 -0.08 0.68 -2.21 0.00 0.00 174.62 173.21 2kuf s VAL 545 N 2.48 1.68 0.16 5.08 -7.23 -0.80 -4.91 120.40 116.86 2kuf s VAL 545 Ca 0.61 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2kuf s VAL 545 Cb -0.28 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2kuf s VAL 545 CO 0.24 -0.35 1.07 -2.16 -0.31 0.00 0.00 175.10 173.59 2kuf s PRO 546 N -3.71 4.61 0.48 4.82 0.05 -1.26 -1.24 135.00 138.75 2kuf s PRO 546 Ca 0.28 1.66 0.25 0.00 0.05 0.00 0.00 61.00 63.24 2kuf s PRO 546 Cb 0.03 -3.30 1.19 0.00 0.05 0.00 0.00 34.50 32.47 2kuf s PRO 546 CO 0.11 0.09 1.96 0.28 0.05 0.00 0.00 177.00 179.49 2kuf h VAL 547 N 3.83 0.62 0.00 -0.36 2.07 0.13 -2.49 116.25 120.06 2kuf h VAL 547 Ca -0.44 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2kuf h VAL 547 Cb 1.21 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2kuf h VAL 547 CO 0.73 0.18 0.00 -0.78 0.02 0.00 0.00 177.57 177.72 2kuf h ASP 548 N 0.00 0.00 -2.35 0.57 3.58 -1.91 -3.37 116.42 112.95 2kuf h ASP 548 Ca -0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.98 2kuf h ASP 548 Cb 0.52 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.66 2kuf h ASP 548 CO 0.02 0.00 0.13 -0.94 -2.88 0.00 0.00 179.24 175.57 2kuf s SER 549 N -5.45 4.28 -0.18 2.28 1.04 -0.94 -4.89 113.70 109.84 2kuf s SER 549 Ca 0.07 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 2kuf s SER 549 Cb 0.08 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2kuf s SER 549 CO 0.61 -1.91 -0.02 0.54 0.98 0.00 0.00 173.24 173.44 2kuf s VAL 550 N -3.19 3.87 -0.07 5.02 0.11 -1.26 -3.38 120.40 121.50 2kuf s VAL 550 Ca 0.66 -0.35 -0.24 0.00 -2.93 0.00 0.00 61.98 59.13 2kuf s VAL 550 Cb -0.05 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 2kuf s VAL 550 CO 0.45 0.45 0.72 -0.63 -3.33 0.00 0.00 175.10 172.76 2kuf s ILE 551 N 0.79 5.03 -0.29 7.04 1.01 0.83 -4.90 121.20 130.71 2kuf s ILE 551 Ca -0.00 1.49 -0.09 0.00 0.00 0.00 0.00 60.65 62.04 2kuf s ILE 551 Cb -0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2kuf s ILE 551 CO 0.02 0.23 0.14 -1.83 0.00 0.00 0.00 174.94 173.50 2kuf s GLU 552 N 0.92 3.52 -0.36 2.79 -1.05 -1.26 -0.01 118.70 123.24 2kuf s GLU 552 Ca 0.38 -0.60 -0.17 0.00 -0.15 0.00 0.00 54.97 54.44 2kuf s GLU 552 Cb -0.18 -3.54 -0.00 0.00 -0.44 0.00 0.00 34.13 29.97 2kuf s GLU 552 CO 0.18 -0.33 0.45 -0.51 0.95 0.00 0.00 175.26 176.00 2kuf s LEU 553 N 1.64 4.48 -0.32 1.83 2.01 0.76 -2.41 118.68 126.66 2kuf s LEU 553 Ca 0.05 -0.23 -0.25 0.00 0.01 0.00 0.00 54.13 53.71 2kuf s LEU 553 Cb -0.16 -2.46 0.01 0.00 0.01 0.00 0.00 46.19 43.58 2kuf s LEU 553 CO 0.07 -0.46 0.89 -1.10 1.01 0.00 0.00 176.35 176.76 2kuf s GLN 554 N 2.22 3.96 -0.16 1.70 1.11 0.41 -0.21 119.66 128.69 2kuf s GLN 554 Ca 0.15 0.72 -0.07 0.00 0.01 0.00 0.00 55.36 56.17 2kuf s GLN 554 Cb -0.16 -3.75 -0.04 0.00 -1.01 0.00 0.00 33.01 28.05 2kuf s GLN 554 CO 0.13 -0.79 0.05 0.08 0.01 0.00 0.00 175.29 174.77 2kuf s VAL 555 N 3.24 4.73 -0.20 1.09 1.01 0.95 -0.60 120.40 130.63 2kuf s VAL 555 Ca 0.37 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 2kuf s VAL 555 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2kuf s VAL 555 CO 0.14 0.49 0.82 -0.44 0.00 0.00 0.00 175.10 176.12 2kuf s SER 556 N 0.12 6.90 0.02 3.32 0.01 0.16 -0.11 113.70 124.12 2kuf s SER 556 Ca 0.04 1.11 -0.14 0.00 1.31 0.00 0.00 55.95 58.28 2kuf s SER 556 Cb -0.12 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2kuf s SER 556 CO 0.01 -0.44 0.41 -1.59 0.41 0.00 0.00 173.24 172.03 2kuf s LYS 557 N 2.41 3.88 0.45 12.44 -2.85 0.66 -2.27 119.74 134.46 2kuf s LYS 557 Ca 0.37 0.36 0.20 0.00 -1.00 0.00 0.00 55.97 55.89 2kuf s LYS 557 Cb -0.16 -3.16 1.07 0.00 -2.06 0.00 0.00 37.83 33.52 2kuf s LYS 557 CO 0.10 0.66 1.94 0.78 0.10 0.00 0.00 175.35 178.93 2kuf h GLY 558 N 4.46 0.00 -0.14 0.59 0.00 -1.57 0.34 103.07 106.75 2kuf h GLY 558 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2kuf h GLY 558 CO 0.62 0.00 -0.05 -2.01 0.00 0.00 0.00 176.54 175.10 2kuf n ASN 559 N -3.85 -5.15 -4.23 0.19 5.15 -1.26 -4.46 115.26 101.65 2kuf n ASN 559 Ca -0.02 0.07 -0.26 0.00 -0.60 0.00 0.00 54.58 53.77 2kuf n ASN 559 Cb 0.32 -2.90 -0.15 0.00 -0.53 0.00 0.00 39.78 36.53 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 -1.81 1.48 0.09 1.20 -0.21 -1.26 -0.61 119.66 118.54 2kuf s GLN 560 Ca 0.00 -0.84 0.09 0.00 0.02 0.00 0.00 55.36 54.62 2kuf s GLN 560 Cb 0.00 -1.53 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 2kuf s GLN 560 CO 0.00 0.40 -0.23 -0.59 -2.12 0.00 0.00 175.29 172.75 2kuf s PHE 561 N -0.66 1.96 0.02 0.91 -0.12 0.71 -4.74 117.98 116.06 2kuf s PHE 561 Ca 0.07 -0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 56.25 2kuf s PHE 561 Cb -0.08 -1.10 -0.08 0.00 -0.63 0.00 0.00 43.02 41.13 2kuf s PHE 561 CO 0.01 0.20 1.74 0.54 -0.05 0.00 0.00 175.22 177.66 2kuf s VAL 562 N -1.02 3.18 -0.25 -2.49 0.11 -1.26 -0.29 120.40 118.38 2kuf s VAL 562 Ca 0.09 0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 2kuf s VAL 562 Cb -0.10 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2kuf s VAL 562 CO 0.04 -0.02 0.28 -0.32 -3.33 0.00 0.00 175.10 171.75 2kuf s MET 563 N 3.56 4.05 1.04 1.54 1.75 -0.03 -4.92 119.30 126.29 2kuf s MET 563 Ca 0.78 -0.08 -0.13 0.00 -1.25 0.00 0.00 55.69 55.01 2kuf s MET 563 Cb -0.39 -3.60 0.21 0.00 2.84 0.00 0.00 34.83 33.90 2kuf s MET 563 CO 0.34 -0.12 1.08 -2.14 -0.65 0.00 0.00 175.02 173.53 2kuf s PRO 564 N 1.58 0.07 0.31 4.11 0.02 -1.26 -0.29 135.00 139.53 2kuf s PRO 564 Ca 0.12 0.55 -0.28 0.00 0.02 0.00 0.00 61.00 61.42 2kuf s PRO 564 Cb -0.15 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 2kuf s PRO 564 CO 0.08 -2.98 1.00 0.16 -0.33 0.00 0.00 177.00 174.93 2kuf s ASP 565 N -3.28 7.29 0.00 2.53 -4.77 -1.26 -4.74 116.67 112.45 2kuf s ASP 565 Ca 0.66 2.02 0.00 0.00 -3.30 0.00 0.00 52.55 51.93 2kuf s ASP 565 Cb -0.20 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 2kuf s ASP 565 CO 0.59 -0.11 0.60 0.00 0.70 0.00 0.00 175.17 176.95 2kuf n LEU 566 N 0.84 1.02 -4.75 2.11 -0.00 -1.26 -5.03 117.00 109.92 2kuf n LEU 566 Ca 0.01 -1.02 -0.40 0.00 -0.00 0.00 0.00 56.01 54.60 2kuf n LEU 566 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.84 2kuf n LEU 566 CO 0.48 0.25 0.66 -0.55 -0.00 0.00 0.00 177.39 178.24 2kuf s SER 567 N -0.35 7.57 0.00 1.45 0.15 -1.26 -3.51 113.70 117.74 2kuf s SER 567 Ca 0.00 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.62 2kuf s SER 567 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2kuf s SER 567 CO 0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2kuf n GLY 568 N 1.33 0.41 3.61 9.45 0.00 0.70 -4.93 105.19 115.76 2kuf n GLY 568 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.97 1.94 0.59 1.61 0.23 -1.23 -4.79 119.30 116.68 2kuf s MET 569 Ca 0.00 -2.09 0.00 0.00 -1.03 0.00 0.00 55.69 52.58 2kuf s MET 569 Cb 0.00 -1.64 0.05 0.00 -1.53 0.00 0.00 34.83 31.71 2kuf s MET 569 CO 0.00 -0.03 0.83 -0.06 -2.03 0.00 0.00 175.02 173.74 2kuf s PHE 570 N -2.70 2.60 0.40 3.16 0.08 -1.26 0.03 117.98 120.29 2kuf s PHE 570 Ca 0.35 -0.04 0.09 0.00 0.12 0.00 0.00 56.93 57.44 2kuf s PHE 570 Cb 0.09 -2.82 0.83 0.00 -0.57 0.00 0.00 43.02 40.55 2kuf s PHE 570 CO 0.18 -1.07 1.98 2.35 -0.10 0.00 0.00 175.22 178.55 2kuf h TRP 571 N -0.09 0.35 0.00 0.36 2.91 -1.90 0.14 115.95 117.74 2kuf h TRP 571 Ca -0.41 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2kuf h TRP 571 Cb 1.29 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2kuf h TRP 571 CO 0.26 0.34 0.00 1.33 -1.03 0.00 0.00 178.44 179.35 2kuf n VAL 572 N -4.37 0.95 -0.12 2.65 0.24 -1.26 -0.57 118.33 115.86 2kuf n VAL 572 Ca 0.01 0.28 -0.20 0.00 -2.04 0.00 0.00 64.34 62.38 2kuf n VAL 572 Cb 0.18 -1.16 -0.10 0.00 -1.47 0.00 0.00 33.84 31.29 2kuf n VAL 572 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kuf n ASP 573 N -1.96 2.02 -0.32 -1.34 8.00 -0.38 -4.45 116.55 118.13 2kuf n ASP 573 Ca 0.02 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.53 2kuf n ASP 573 Cb 0.19 -0.51 0.12 0.00 -0.02 0.00 0.00 41.12 40.90 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 -0.35 1.22 0.29 2.24 0.00 -0.43 -1.50 119.26 120.73 2kuf h ALA 574 Ca -0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2kuf h ALA 574 Cb 1.70 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kuf h ALA 574 CO -0.20 0.64 -0.14 1.49 0.00 0.00 0.00 179.25 181.05 2kuf h GLU 575 N 1.23 -0.37 -0.98 0.00 4.81 -1.08 0.18 114.58 118.37 2kuf h GLU 575 Ca 0.31 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.69 2kuf h GLU 575 Cb 0.00 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 2kuf h GLU 575 CO -0.05 -0.14 0.60 -1.35 -0.73 0.00 0.00 179.01 177.33 2kuf h PRO 576 N -0.55 0.90 -0.77 0.92 0.11 -1.75 -2.05 132.00 128.82 2kuf h PRO 576 Ca -0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.04 2kuf h PRO 576 Cb 0.40 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 2kuf h PRO 576 CO 0.07 0.60 0.50 0.00 -0.21 0.00 0.00 178.00 178.95 2kuf h ARG 577 N 0.93 0.96 -0.19 1.05 2.47 -0.93 0.31 114.38 118.97 2kuf h ARG 577 Ca 0.49 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.13 2kuf h ARG 577 Cb 0.53 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2kuf h ARG 577 CO -0.28 0.64 0.00 1.37 0.56 0.00 0.00 179.97 182.25 2kuf h LEU 578 N 0.99 0.34 -0.90 3.04 8.10 -0.27 0.71 115.31 127.31 2kuf h LEU 578 Ca 0.30 -0.31 -0.09 0.00 0.11 0.00 0.00 57.88 57.89 2kuf h LEU 578 Cb -0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 2kuf h LEU 578 CO -0.09 0.56 -0.12 0.08 -4.11 0.00 0.00 178.44 174.76 2kuf h ARG 579 N 0.10 0.68 -0.24 0.17 0.11 -1.32 -0.00 114.38 113.87 2kuf h ARG 579 Ca 0.06 -0.22 -0.17 0.00 0.10 0.00 0.00 59.98 59.75 2kuf h ARG 579 Cb 0.39 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2kuf h ARG 579 CO 0.01 0.78 -0.54 0.00 0.10 0.00 0.00 179.97 180.32 2kuf h ALA 580 N 1.25 0.59 -0.00 0.08 0.00 -0.61 -3.06 119.26 117.52 2kuf h ALA 580 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kuf h ALA 580 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kuf h ALA 580 CO 0.04 0.68 -0.03 1.47 0.00 0.00 0.00 179.25 181.41 2kuf n LEU 581 N -3.98 0.04 -0.09 0.00 -0.00 0.21 -4.88 117.00 108.30 2kuf n LEU 581 Ca -0.04 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2kuf n LEU 581 Cb 0.61 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2kuf n LEU 581 CO 0.49 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.49 2kuf n GLY 582 N 1.43 0.86 3.69 1.47 0.00 -1.04 -5.02 105.19 106.59 2kuf n GLY 582 Ca 0.09 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.18 3.35 -1.64 1.61 -0.00 -0.04 -4.90 118.94 115.13 2kuf s TRP 583 Ca 0.00 1.37 0.16 0.00 -0.00 0.00 0.00 56.10 57.64 2kuf s TRP 583 Cb 0.00 -3.33 0.34 0.00 -0.00 0.00 0.00 33.47 30.48 2kuf s TRP 583 CO 0.00 -0.88 1.26 0.25 -0.00 0.00 0.00 176.95 177.57 2kuf n THR 584 N 4.46 0.64 -1.02 5.86 -2.24 -1.26 -4.67 114.28 116.05 2kuf n THR 584 Ca 0.10 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2kuf n THR 584 Cb 0.47 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.99 1.59 3.01 3.38 0.00 -0.98 -4.97 105.19 108.21 2kuf n GLY 585 Ca 0.15 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 2.90 0.44 -0.27 1.61 1.75 -1.26 -5.06 119.30 119.41 2kuf s MET 586 Ca 0.00 -0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 53.60 2kuf s MET 586 Cb 0.00 -0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.44 2kuf s MET 586 CO 0.00 0.05 1.05 -1.17 -0.65 0.00 0.00 175.02 174.30 2kuf s LEU 587 N -1.12 4.02 -0.27 4.11 0.20 -1.26 -4.46 118.68 119.90 2kuf s LEU 587 Ca -0.07 1.22 -0.12 0.00 0.69 0.00 0.00 54.13 55.84 2kuf s LEU 587 Cb -0.07 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.11 2kuf s LEU 587 CO 0.00 -0.76 0.24 -0.62 -0.29 0.00 0.00 176.35 174.92 2kuf s ASP 588 N 1.41 6.10 -0.16 3.68 2.15 -1.05 -5.04 116.67 123.77 2kuf s ASP 588 Ca 0.44 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.41 2kuf s ASP 588 Cb -0.14 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.29 2kuf s ASP 588 CO 0.10 -0.07 0.20 -1.59 -0.17 0.00 0.00 175.17 173.63 2kuf s LYS 589 N 1.76 4.00 -0.17 4.34 0.00 -1.26 -0.87 119.74 127.54 2kuf s LYS 589 Ca 0.09 -0.07 -0.22 0.00 0.00 0.00 0.00 55.97 55.78 2kuf s LYS 589 Cb -0.16 -3.35 -0.19 0.00 0.00 0.00 0.00 37.83 34.13 2kuf s LYS 589 CO 0.10 0.43 0.38 0.78 0.00 0.00 0.00 175.35 177.04 2kuf h GLY 590 N 6.11 0.00 -7.05 0.59 0.00 -1.01 -3.46 103.07 98.26 2kuf h GLY 590 Ca -0.45 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.41 2kuf h GLY 590 CO 0.70 0.00 -0.77 0.00 0.00 0.00 0.00 176.54 176.47 2kuf s ALA 591 N -2.35 0.82 -0.22 3.60 0.00 -1.26 -5.05 121.76 117.30 2kuf s ALA 591 Ca -0.21 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 2kuf s ALA 591 Cb 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2kuf s ALA 591 CO 0.55 -0.62 0.07 0.16 0.00 0.00 0.00 175.76 175.92 2kuf s ASP 592 N 1.93 5.30 -0.14 0.00 -4.77 -1.26 -2.73 116.67 114.99 2kuf s ASP 592 Ca 0.04 -0.10 -0.02 0.00 -3.30 0.00 0.00 52.55 49.17 2kuf s ASP 592 Cb -0.13 -1.93 -0.02 0.00 -1.09 0.00 0.00 42.92 39.74 2kuf s ASP 592 CO -0.06 0.04 -0.09 -0.69 0.70 0.00 0.00 175.17 175.07 2kuf s VAL 593 N 1.14 3.38 -0.27 2.11 1.01 -0.95 -4.94 120.40 121.88 2kuf s VAL 593 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2kuf s VAL 593 Cb -0.14 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2kuf s VAL 593 CO 0.03 0.51 1.47 -0.62 0.00 0.00 0.00 175.10 176.49 2kuf s ASP 594 N 0.42 6.49 0.11 3.32 2.15 -1.26 0.36 116.67 128.26 2kuf s ASP 594 Ca -0.07 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2kuf s ASP 594 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2kuf s ASP 594 CO 0.04 -1.21 0.00 0.00 -0.17 0.00 0.00 175.17 173.83 2kuf n ALA 595 N 8.17 3.00 0.00 3.66 0.00 -1.26 -4.86 120.51 129.21 2kuf n ALA 595 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kuf n ALA 595 Cb 0.46 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 2.97 2.58 0.32 0.00 0.00 -1.25 -4.64 105.19 105.17 2kuf n GLY 596 Ca 0.00 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.32 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 0.59 2.00 -0.02 0.00 -1.93 -1.86 103.07 101.85 2kuf h GLY 597 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2kuf h GLY 597 CO 0.00 0.17 -0.29 0.23 0.00 0.00 0.00 176.54 176.65 2kuf h SER 598 N 0.51 0.00 -0.02 0.19 0.87 -1.99 -2.30 113.55 110.81 2kuf h SER 598 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2kuf h SER 598 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2kuf h SER 598 CO -0.05 0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 2kuf n GLN 599 N -3.32 1.66 -1.60 2.24 1.13 -0.72 -4.95 117.38 111.83 2kuf n GLN 599 Ca 0.01 -0.96 -0.00 0.00 -1.94 0.00 0.00 57.00 54.11 2kuf n GLN 599 Cb 0.53 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.41 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 0.16 -0.30 -1.86 1.08 8.25 -0.87 -4.93 115.22 116.75 2kuf n HIS 600 Ca 0.19 0.13 -0.38 0.00 -0.26 0.00 0.00 57.72 57.40 2kuf n HIS 600 Cb 0.35 -1.70 -0.01 0.00 1.12 0.00 0.00 29.99 29.74 2kuf n HIS 600 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2kuf n ASN 601 N -0.18 7.94 -4.97 0.41 6.94 -1.18 -4.69 115.26 119.53 2kuf n ASN 601 Ca 0.00 -3.08 -0.21 0.00 -0.02 0.00 0.00 54.58 51.27 2kuf n ASN 601 Cb 0.02 -1.37 -0.00 0.00 -2.36 0.00 0.00 39.78 36.07 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kuf s ARG 602 N -0.86 3.19 0.11 -3.83 0.52 -1.26 -4.29 118.95 112.53 2kuf s ARG 602 Ca 0.56 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 2kuf s ARG 602 Cb 0.21 -2.73 -0.08 0.00 0.52 0.00 0.00 34.95 32.87 2kuf s ARG 602 CO -0.10 0.02 1.34 0.08 0.02 0.00 0.00 175.30 176.66 2kuf s VAL 603 N -2.28 3.44 -0.20 3.52 1.01 0.10 -0.47 120.40 125.53 2kuf s VAL 603 Ca 0.44 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.54 2kuf s VAL 603 Cb -0.10 -3.67 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 2kuf s VAL 603 CO 0.34 0.09 -0.08 0.55 0.00 0.00 0.00 175.10 176.00 2kuf n VAL 604 N 3.79 1.22 -3.76 2.92 3.14 -0.80 -0.22 118.33 124.62 2kuf n VAL 604 Ca 0.10 -0.59 -0.13 0.00 -2.96 0.00 0.00 64.34 60.77 2kuf n VAL 604 Cb 0.43 -0.95 -0.13 0.00 -1.06 0.00 0.00 33.84 32.14 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2kuf s TYR 605 N -2.43 -0.28 -0.11 1.45 6.14 -1.06 -4.84 117.35 116.23 2kuf s TYR 605 Ca -0.20 0.67 0.02 0.00 0.64 0.00 0.00 57.07 58.20 2kuf s TYR 605 Cb 0.06 0.05 -0.01 0.00 0.42 0.00 0.00 41.96 42.48 2kuf s TYR 605 CO 0.59 -0.17 -0.16 1.14 0.64 0.00 0.00 175.55 177.58 2kuf s GLN 606 N 0.73 3.12 0.10 4.97 -2.07 -1.26 -1.25 119.66 123.99 2kuf s GLN 606 Ca -0.05 -0.74 -0.24 0.00 -1.82 0.00 0.00 55.36 52.50 2kuf s GLN 606 Cb -0.06 -2.49 -0.11 0.00 -1.09 0.00 0.00 33.01 29.26 2kuf s GLN 606 CO -0.04 0.28 1.70 -0.97 -1.32 0.00 0.00 175.29 174.94 2kuf h ASN 607 N 6.45 -0.28 -3.40 12.60 -0.73 -1.78 -3.37 115.58 125.06 2kuf h ASN 607 Ca -0.28 0.03 -0.60 0.00 1.87 0.00 0.00 56.30 57.32 2kuf h ASN 607 Cb 1.21 0.11 -0.10 0.00 0.27 0.00 0.00 38.32 39.80 2kuf h ASN 607 CO 0.52 -0.16 0.34 -2.16 -0.37 0.00 0.00 177.43 175.61 2kuf s PRO 608 N -6.15 4.08 0.84 6.67 0.05 -1.26 -5.05 135.00 134.18 2kuf s PRO 608 Ca -0.14 0.68 -0.10 0.00 0.05 0.00 0.00 61.00 61.48 2kuf s PRO 608 Cb 0.07 -3.68 0.10 0.00 0.05 0.00 0.00 34.50 31.05 2kuf s PRO 608 CO 0.66 -0.54 1.13 -2.14 0.05 0.00 0.00 177.00 176.15 2kuf s PRO 609 N 2.77 1.60 0.29 0.56 0.02 -1.26 -4.91 135.00 134.07 2kuf s PRO 609 Ca 0.31 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 2kuf s PRO 609 Cb -0.15 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 2kuf s PRO 609 CO 0.09 -2.17 1.58 0.00 -0.33 0.00 0.00 177.00 176.17 2kuf s ALA 610 N -2.73 3.73 0.00 -1.55 0.00 -1.26 -2.16 121.76 117.80 2kuf s ALA 610 Ca 0.65 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2kuf s ALA 610 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2kuf s ALA 610 CO 0.56 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2kuf n GLY 611 N 2.13 0.94 3.75 0.00 0.00 0.60 -4.95 105.19 107.66 2kuf n GLY 611 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.14 4.45 -0.12 2.61 2.01 -0.92 -4.64 115.64 116.89 2kuf s THR 612 Ca 0.00 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 2kuf s THR 612 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2kuf s THR 612 CO 0.00 0.41 1.14 -0.83 -0.69 0.00 0.00 174.62 174.65 2kuf s GLY 613 N -0.48 1.98 -0.01 4.40 0.00 -1.26 -0.85 107.32 111.10 2kuf s GLY 613 Ca 0.41 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.62 2kuf s GLY 613 CO 0.28 2.20 -0.13 -1.34 0.00 0.00 0.00 173.10 174.11 2kuf s VAL 614 N 2.64 3.18 1.02 1.40 -7.23 0.60 -4.72 120.40 117.30 2kuf s VAL 614 Ca 0.52 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 2kuf s VAL 614 Cb -0.21 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2kuf s VAL 614 CO 0.16 0.48 -0.20 -0.46 -0.31 0.00 0.00 175.10 174.77 2kuf n ASN 615 N 1.92 -2.96 0.19 4.85 0.23 -1.26 -0.21 115.26 118.02 2kuf n ASN 615 Ca -0.16 0.11 0.15 0.00 -0.53 0.00 0.00 54.58 54.14 2kuf n ASN 615 Cb 0.52 -0.95 0.75 0.00 -2.08 0.00 0.00 39.78 38.02 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2kuf h ARG 616 N -1.57 0.00 -0.00 -3.83 0.11 -1.25 0.12 114.38 107.96 2kuf h ARG 616 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2kuf h ARG 616 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2kuf h ARG 616 CO 0.32 0.00 -0.48 -0.40 0.10 0.00 0.00 179.97 179.51 2kuf n ASP 617 N -4.17 0.58 -0.54 0.08 5.75 -1.26 -4.37 116.55 112.62 2kuf n ASP 617 Ca 0.01 -0.35 -0.07 0.00 -0.01 0.00 0.00 54.79 54.38 2kuf n ASP 617 Cb 0.28 0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kuf n GLY 618 N 1.48 0.81 3.65 6.12 0.00 0.41 -2.32 105.19 115.34 2kuf n GLY 618 Ca 0.06 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -1.91 3.79 -0.03 -0.61 -1.16 -1.26 -4.89 121.20 115.13 2kuf s ILE 619 Ca 0.00 0.92 0.03 0.00 -0.51 0.00 0.00 60.65 61.10 2kuf s ILE 619 Cb 0.00 -3.69 0.00 0.00 0.61 0.00 0.00 42.46 39.38 2kuf s ILE 619 CO 0.00 -0.19 -0.12 0.27 -2.81 0.00 0.00 174.94 172.09 2kuf s ILE 620 N 4.44 1.03 -0.19 2.00 -4.36 -1.26 -4.97 121.20 117.89 2kuf s ILE 620 Ca 0.68 -0.49 -0.11 0.00 -0.26 0.00 0.00 60.65 60.47 2kuf s ILE 620 Cb -0.27 -0.91 -0.05 0.00 1.25 0.00 0.00 42.46 42.49 2kuf s ILE 620 CO 0.26 0.31 0.16 0.28 0.24 0.00 0.00 174.94 176.20 2kuf s THR 621 N 0.17 5.39 0.17 8.37 -1.32 -1.26 -2.52 115.64 124.64 2kuf s THR 621 Ca -0.04 0.26 -0.00 0.00 -1.21 0.00 0.00 61.69 60.70 2kuf s THR 621 Cb -0.10 -3.50 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 2kuf s THR 621 CO 0.01 0.43 0.08 -1.48 -2.21 0.00 0.00 174.62 171.44 2kuf s LEU 622 N 0.40 1.61 -0.03 9.08 0.05 -0.05 -1.96 118.68 127.78 2kuf s LEU 622 Ca 0.10 -1.28 0.04 0.00 0.05 0.00 0.00 54.13 53.04 2kuf s LEU 622 Cb -0.11 0.25 -0.00 0.00 -2.05 0.00 0.00 46.19 44.27 2kuf s LEU 622 CO -0.01 -0.74 -0.15 0.00 -0.55 0.00 0.00 176.35 174.90 2kuf s ARG 623 N -4.06 1.46 0.15 1.48 1.70 -0.38 -0.31 118.95 118.98 2kuf s ARG 623 Ca 0.30 -0.51 -0.04 0.00 -0.47 0.00 0.00 55.73 55.01 2kuf s ARG 623 Cb 0.07 -1.31 -0.03 0.00 -0.57 0.00 0.00 34.95 33.11 2kuf s ARG 623 CO 0.06 0.23 0.14 -0.59 -1.08 0.00 0.00 175.30 174.06 2kuf s PHE 624 N 0.00 0.72 -0.02 5.89 -0.71 -1.11 -1.90 117.98 120.86 2kuf s PHE 624 Ca -0.02 -1.09 -0.23 0.00 -1.04 0.00 0.00 56.93 54.56 2kuf s PHE 624 Cb -0.10 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 2kuf s PHE 624 CO 0.01 -0.59 0.69 0.20 -1.34 0.00 0.00 175.22 174.19 2kuf s GLY 625 N -3.03 2.66 0.00 1.99 0.00 0.38 -2.24 107.32 107.08 2kuf s GLY 625 Ca 0.23 0.14 0.25 0.00 0.00 0.00 0.00 44.72 45.34 2kuf s GLY 625 CO 0.02 1.04 1.42 -0.18 0.00 0.00 0.00 173.10 175.40