#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 4.48 -0.19 1.61 0.04 -1.26 -4.93 135.00 134.75 2kuf s PRO 492 Ca 0.00 1.60 0.11 0.00 0.04 0.00 0.00 61.00 62.75 2kuf s PRO 492 Cb 0.00 -2.91 0.64 0.00 0.04 0.00 0.00 34.50 32.27 2kuf s PRO 492 CO 0.00 0.12 1.48 0.00 0.04 0.00 0.00 177.00 178.64 2kuf n ALA 493 N 0.67 3.62 -2.35 8.56 0.00 -1.26 -4.84 120.51 124.91 2kuf n ALA 493 Ca 0.01 -1.51 -0.16 0.00 0.00 0.00 0.00 53.44 51.78 2kuf n ALA 493 Cb 0.47 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.38 1.36 -0.09 0.00 -4.23 -1.26 -0.40 115.64 108.63 2kuf s THR 494 Ca 0.43 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 2kuf s THR 494 Cb 0.33 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.40 2kuf s THR 494 CO 0.12 -0.61 0.32 -0.75 -0.54 0.00 0.00 174.62 173.16 2kuf s LYS 495 N -3.40 0.45 0.08 3.99 2.47 0.12 -4.66 119.74 118.79 2kuf s LYS 495 Ca 0.16 0.29 -0.28 0.00 -1.56 0.00 0.00 55.97 54.58 2kuf s LYS 495 Cb -0.00 0.21 -0.06 0.00 -1.46 0.00 0.00 37.83 36.52 2kuf s LYS 495 CO 0.03 -0.08 0.88 0.16 0.16 0.00 0.00 175.35 176.50 2kuf s ASP 496 N -0.20 7.38 0.11 1.43 -4.77 -1.26 -1.00 116.67 118.35 2kuf s ASP 496 Ca -0.03 1.65 -0.24 0.00 -3.30 0.00 0.00 52.55 50.62 2kuf s ASP 496 Cb -0.03 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.19 2kuf s ASP 496 CO 0.01 -0.03 0.74 0.27 0.70 0.00 0.00 175.17 176.87 2kuf s ILE 497 N -0.04 4.55 0.83 2.11 -4.36 -0.64 -4.92 121.20 118.73 2kuf s ILE 497 Ca 0.43 1.61 -0.12 0.00 -0.26 0.00 0.00 60.65 62.32 2kuf s ILE 497 Cb -0.22 -4.10 0.09 0.00 1.25 0.00 0.00 42.46 39.48 2kuf s ILE 497 CO 0.27 0.47 1.11 -2.16 0.24 0.00 0.00 174.94 174.87 2kuf s PRO 498 N -0.74 1.84 -0.31 0.37 0.04 -1.26 -0.53 135.00 134.41 2kuf s PRO 498 Ca 0.36 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 2kuf s PRO 498 Cb -0.22 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.52 2kuf s PRO 498 CO 0.24 -1.77 2.47 -0.40 0.04 0.00 0.00 177.00 177.58 2kuf n ASP 499 N -3.52 6.26 -0.24 6.66 5.75 -1.26 -4.68 116.55 125.51 2kuf n ASP 499 Ca 0.07 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 2kuf n ASP 499 Cb 0.57 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 2kuf n ASP 499 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2kuf n VAL 500 N 0.86 0.00 -2.54 2.12 0.24 -1.26 -4.68 118.33 113.07 2kuf n VAL 500 Ca 0.36 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.25 2kuf n VAL 500 Cb 0.60 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.52 2.80 0.00 2.33 0.00 -1.26 -3.19 121.76 120.92 2kuf s ALA 501 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2kuf s ALA 501 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2kuf s ALA 501 CO 0.00 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.03 2kuf n GLY 502 N 5.31 1.22 2.87 0.00 0.00 -0.91 -4.94 105.19 108.74 2kuf n GLY 502 Ca 0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kuf n GLY 502 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kuf n GLN 503 N 0.00 -0.83 -1.76 1.61 3.00 -1.19 -4.75 117.38 113.45 2kuf n GLN 503 Ca 0.00 -1.59 -0.33 0.00 -0.01 0.00 0.00 57.00 55.07 2kuf n GLN 503 Cb 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 30.24 29.33 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 -3.04 3.48 0.18 5.09 2.01 -1.26 -1.66 115.64 120.44 2kuf s THR 504 Ca 0.55 0.65 -0.11 0.00 0.31 0.00 0.00 61.69 63.09 2kuf s THR 504 Cb -0.02 -3.18 0.09 0.00 0.01 0.00 0.00 72.50 69.40 2kuf s THR 504 CO 0.38 -0.47 1.74 1.62 -0.69 0.00 0.00 174.62 177.20 2kuf h VAL 505 N -0.05 1.24 -0.63 3.82 3.04 -0.54 0.28 116.25 123.39 2kuf h VAL 505 Ca -0.46 -0.74 0.01 0.00 -1.01 0.00 0.00 66.70 64.49 2kuf h VAL 505 Cb 1.23 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 31.01 2kuf h VAL 505 CO 0.55 0.29 0.42 -0.78 -1.01 0.00 0.00 177.57 177.04 2kuf h ASP 506 N 0.90 0.71 -0.27 3.17 3.58 -1.92 0.23 116.42 122.82 2kuf h ASP 506 Ca 0.21 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 2kuf h ASP 506 Cb 0.21 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2kuf h ASP 506 CO -0.02 0.51 -0.09 0.58 -2.88 0.00 0.00 179.24 177.35 2kuf h VAL 507 N 0.84 1.29 -0.41 2.25 2.07 -1.82 -1.06 116.25 119.41 2kuf h VAL 507 Ca 0.24 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2kuf h VAL 507 Cb -0.08 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2kuf h VAL 507 CO -0.06 0.36 0.20 0.00 0.02 0.00 0.00 177.57 178.09 2kuf h ALA 508 N 0.76 0.53 -0.28 1.67 0.00 -0.05 0.28 119.26 122.18 2kuf h ALA 508 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kuf h ALA 508 CO 0.03 0.09 0.14 1.96 0.00 0.00 0.00 179.25 181.47 2kuf h GLN 509 N 0.53 0.40 -0.34 0.00 4.20 -0.41 -0.08 115.11 119.41 2kuf h GLN 509 Ca 0.14 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 2kuf h GLN 509 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2kuf h GLN 509 CO -0.02 0.38 -0.32 1.57 -0.67 0.00 0.00 178.83 179.77 2kuf h LYS 510 N 0.32 0.75 -0.05 1.46 2.10 -1.08 -1.78 116.57 118.29 2kuf h LYS 510 Ca 0.10 -0.35 -0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2kuf h LYS 510 Cb 0.11 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2kuf h LYS 510 CO -0.01 0.96 0.03 -0.91 -2.00 0.00 0.00 179.45 177.52 2kuf h ASN 511 N 0.63 0.06 -0.24 7.07 2.35 -0.08 -0.99 115.58 124.38 2kuf h ASN 511 Ca 0.07 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 2kuf h ASN 511 Cb 0.85 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2kuf h ASN 511 CO 0.07 0.09 -0.10 0.17 -1.65 0.00 0.00 177.43 176.01 2kuf h LEU 512 N 0.02 0.62 -1.16 1.61 8.10 -1.01 -2.42 115.31 121.06 2kuf h LEU 512 Ca 0.02 -0.17 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2kuf h LEU 512 Cb 0.05 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.08 2kuf h LEU 512 CO -0.00 0.76 0.16 -1.13 -4.11 0.00 0.00 178.44 174.12 2kuf h ASN 513 N 0.58 0.69 -0.26 0.17 -0.00 -0.89 0.20 115.58 116.08 2kuf h ASN 513 Ca 0.11 -0.10 -0.04 0.00 -0.00 0.00 0.00 56.30 56.27 2kuf h ASN 513 Cb 0.52 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.65 2kuf h ASN 513 CO 0.03 0.65 0.06 0.58 -0.00 0.00 0.00 177.43 178.75 2kuf h VAL 514 N 0.74 1.18 -0.48 2.57 2.07 -0.68 0.38 116.25 122.02 2kuf h VAL 514 Ca 0.17 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2kuf h VAL 514 Cb 0.21 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2kuf h VAL 514 CO -0.01 0.23 0.00 -1.22 0.02 0.00 0.00 177.57 176.59 2kuf n TYR 515 N -4.32 0.83 0.06 1.57 4.01 -0.74 -4.70 117.16 113.88 2kuf n TYR 515 Ca 0.02 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 2kuf n TYR 515 Cb 0.20 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.75 -0.21 2.40 2.72 0.00 0.63 -4.95 105.19 106.52 2kuf n GLY 516 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.90 -0.03 -1.49 1.61 3.72 0.13 -4.99 117.46 113.51 2kuf n PHE 517 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2kuf n PHE 517 Cb 0.00 -2.53 0.19 0.00 -0.94 0.00 0.00 39.48 36.21 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 -2.66 0.00 -4.33 4.37 -2.24 -1.25 -4.92 114.28 103.25 2kuf n THR 518 Ca -0.14 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 2kuf n THR 518 Cb 0.47 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.17 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 -5.38 2.85 0.07 -0.78 1.02 -0.80 -4.91 119.74 111.82 2kuf s LYS 519 Ca 0.64 -0.54 0.07 0.00 0.02 0.00 0.00 55.97 56.16 2kuf s LYS 519 Cb -0.03 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2kuf s LYS 519 CO 0.46 0.65 -0.19 -0.59 -0.92 0.00 0.00 175.35 174.77 2kuf s PHE 520 N -1.01 1.62 0.03 3.18 -0.12 -1.26 -0.16 117.98 120.26 2kuf s PHE 520 Ca 0.17 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2kuf s PHE 520 Cb -0.11 -0.93 -0.02 0.00 -0.63 0.00 0.00 43.02 41.33 2kuf s PHE 520 CO 0.07 0.12 -0.10 -1.54 -0.05 0.00 0.00 175.22 173.72 2kuf s SER 521 N -1.50 1.12 -0.04 1.98 1.04 0.10 -4.86 113.70 111.54 2kuf s SER 521 Ca 0.05 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.10 2kuf s SER 521 Cb -0.09 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 2kuf s SER 521 CO 0.03 -0.07 -0.23 0.00 0.98 0.00 0.00 173.24 173.95 2kuf s GLN 522 N -1.16 2.23 -0.15 4.02 -2.07 -1.26 -0.18 119.66 121.10 2kuf s GLN 522 Ca -0.03 -0.83 0.01 0.00 -1.82 0.00 0.00 55.36 52.69 2kuf s GLN 522 Cb -0.08 -1.96 0.02 0.00 -1.09 0.00 0.00 33.01 29.90 2kuf s GLN 522 CO 0.01 0.39 -0.18 0.00 -1.32 0.00 0.00 175.29 174.19 2kuf s ALA 523 N -0.22 2.03 0.01 2.60 0.00 -0.06 -4.94 121.76 121.18 2kuf s ALA 523 Ca -0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 2kuf s ALA 523 Cb -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2kuf s ALA 523 CO 0.02 -0.24 0.65 -1.12 0.00 0.00 0.00 175.76 175.07 2kuf s SER 524 N 1.20 7.05 0.04 0.00 0.01 -1.26 -0.10 113.70 120.64 2kuf s SER 524 Ca 0.00 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.54 2kuf s SER 524 Cb -0.14 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2kuf s SER 524 CO -0.08 0.07 -0.07 -0.69 0.41 0.00 0.00 173.24 172.88 2kuf s VAL 525 N -0.14 0.48 -0.14 3.43 1.01 0.90 -4.92 120.40 121.02 2kuf s VAL 525 Ca 0.33 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2kuf s VAL 525 Cb -0.19 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2kuf s VAL 525 CO 0.19 -0.41 0.17 1.51 0.00 0.00 0.00 175.10 176.56 2kuf s ASP 526 N -1.58 6.36 0.25 3.32 -4.77 -1.26 -0.19 116.67 118.79 2kuf s ASP 526 Ca -0.11 0.43 -0.22 0.00 -3.30 0.00 0.00 52.55 49.35 2kuf s ASP 526 Cb -0.10 -2.10 0.04 0.00 -1.09 0.00 0.00 42.92 39.67 2kuf s ASP 526 CO 0.00 0.30 0.82 -0.44 0.70 0.00 0.00 175.17 176.55 2kuf s SER 527 N -0.44 -0.19 0.32 2.11 0.01 0.15 -4.88 113.70 110.79 2kuf s SER 527 Ca 0.13 -0.61 0.23 0.00 1.31 0.00 0.00 55.95 57.02 2kuf s SER 527 Cb -0.12 0.65 1.17 0.00 0.21 0.00 0.00 66.02 67.93 2kuf s SER 527 CO 0.03 -1.22 1.71 -0.65 0.41 0.00 0.00 173.24 173.51 2kuf h PRO 528 N 2.00 0.00 -6.75 12.44 0.11 -1.81 -3.30 132.00 134.69 2kuf h PRO 528 Ca -0.22 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.36 2kuf h PRO 528 Cb 1.24 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.41 2kuf h PRO 528 CO 0.26 0.00 0.72 1.03 -0.21 0.00 0.00 178.00 179.80 2kuf s ARG 529 N -3.51 4.30 0.58 1.05 3.00 -1.26 -4.80 118.95 118.31 2kuf s ARG 529 Ca -0.01 2.24 -0.19 0.00 0.00 0.00 0.00 55.73 57.77 2kuf s ARG 529 Cb 0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 34.95 31.86 2kuf s ARG 529 CO 0.26 -0.35 1.20 -1.25 0.00 0.00 0.00 175.30 175.16 2kuf s PRO 530 N -0.54 3.04 -0.31 3.54 0.04 -1.26 -2.15 135.00 137.36 2kuf s PRO 530 Ca 0.57 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 63.15 2kuf s PRO 530 Cb -0.40 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2kuf s PRO 530 CO 0.44 -1.14 2.29 0.00 0.04 0.00 0.00 177.00 178.62 2kuf n ALA 531 N -1.51 1.47 0.00 8.56 0.00 -1.21 -0.98 120.51 126.84 2kuf n ALA 531 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2kuf n ALA 531 Cb 0.50 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 5.87 1.59 3.72 0.00 0.00 -0.76 -4.94 105.19 110.66 2kuf n GLY 532 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 4.53 -0.29 1.61 2.12 -0.15 0.21 118.70 126.73 2kuf s GLU 533 Ca 0.00 1.22 -0.28 0.00 0.36 0.00 0.00 54.97 56.28 2kuf s GLU 533 Cb 0.00 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2kuf s GLU 533 CO 0.00 0.03 0.99 0.54 -0.54 0.00 0.00 175.26 176.29 2kuf s VAL 534 N 0.77 4.64 0.18 3.70 0.11 -0.67 -1.90 120.40 127.23 2kuf s VAL 534 Ca 0.46 1.70 0.16 0.00 -2.93 0.00 0.00 61.98 61.37 2kuf s VAL 534 Cb -0.20 -4.31 0.08 0.00 -1.53 0.00 0.00 36.38 30.42 2kuf s VAL 534 CO 0.25 -0.32 1.68 0.74 -3.33 0.00 0.00 175.10 174.12 2kuf h THR 535 N 5.60 1.04 0.00 5.04 2.02 -0.81 -2.41 112.91 123.39 2kuf h THR 535 Ca -0.21 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2kuf h THR 535 Cb 1.07 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2kuf h THR 535 CO 0.98 0.45 0.00 0.61 0.37 0.00 0.00 175.52 177.92 2kuf n GLY 536 N 0.31 -0.36 3.55 2.16 0.00 -1.20 -4.80 105.19 104.84 2kuf n GLY 536 Ca -0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.78 2.97 0.06 2.61 -4.23 -1.26 -0.16 115.64 112.85 2kuf s THR 537 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 2kuf s THR 537 Cb 0.00 -2.53 -0.17 0.00 1.34 0.00 0.00 72.50 71.14 2kuf s THR 537 CO 0.00 -0.28 1.58 -1.13 -0.54 0.00 0.00 174.62 174.25 2kuf h ASN 538 N 2.42 -0.11 -4.00 3.99 -1.24 -1.47 -3.43 115.58 111.73 2kuf h ASN 538 Ca -0.44 -0.12 -0.49 0.00 0.71 0.00 0.00 56.30 55.97 2kuf h ASN 538 Cb 1.24 0.03 0.04 0.00 0.73 0.00 0.00 38.32 40.35 2kuf h ASN 538 CO 0.57 0.05 0.43 -2.16 -1.29 0.00 0.00 177.43 175.03 2kuf s PRO 539 N -5.63 3.91 0.46 6.67 0.04 -1.26 -5.01 135.00 134.19 2kuf s PRO 539 Ca -0.14 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 2kuf s PRO 539 Cb 0.04 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 2kuf s PRO 539 CO 0.65 -0.37 1.25 -2.14 0.04 0.00 0.00 177.00 176.43 2kuf s PRO 540 N -2.75 3.70 0.42 0.56 0.02 -1.26 -4.96 135.00 130.72 2kuf s PRO 540 Ca 0.62 2.00 -0.26 0.00 0.02 0.00 0.00 61.00 63.38 2kuf s PRO 540 Cb -0.23 -2.50 -0.09 0.00 0.02 0.00 0.00 34.50 31.70 2kuf s PRO 540 CO 0.28 -0.66 1.41 0.00 -0.33 0.00 0.00 177.00 177.70 2kuf s ALA 541 N -1.40 3.33 0.00 -1.55 0.00 -1.26 -2.27 121.76 118.61 2kuf s ALA 541 Ca 0.63 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2kuf s ALA 541 Cb -0.34 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kuf s ALA 541 CO 0.42 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2kuf n GLY 542 N 0.58 3.36 3.75 0.00 0.00 0.31 -4.98 105.19 108.22 2kuf n GLY 542 Ca 0.04 0.00 -0.41 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 -2.80 3.32 -0.12 2.61 2.01 -0.96 -4.52 115.64 115.17 2kuf s THR 543 Ca 0.00 1.20 -0.25 0.00 0.31 0.00 0.00 61.69 62.95 2kuf s THR 543 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2kuf s THR 543 CO 0.00 0.24 0.81 0.28 -0.69 0.00 0.00 174.62 175.26 2kuf s THR 544 N -0.55 4.93 0.16 -0.82 -1.32 -1.26 -1.61 115.64 115.16 2kuf s THR 544 Ca 0.50 1.63 0.06 0.00 -1.21 0.00 0.00 61.69 62.68 2kuf s THR 544 Cb -0.34 -4.13 -0.04 0.00 -1.51 0.00 0.00 72.50 66.47 2kuf s THR 544 CO 0.41 0.11 -0.13 0.68 -2.21 0.00 0.00 174.62 173.48 2kuf s VAL 545 N 1.61 1.47 0.29 5.08 -7.23 -0.17 -4.86 120.40 116.60 2kuf s VAL 545 Ca 0.40 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 2kuf s VAL 545 Cb -0.17 -1.82 -0.12 0.00 0.56 0.00 0.00 36.38 34.83 2kuf s VAL 545 CO 0.16 -0.56 1.58 -0.81 -0.31 0.00 0.00 175.10 175.17 2kuf n PRO 546 N 0.00 2.67 0.30 4.82 -0.04 -1.26 0.15 135.00 141.64 2kuf n PRO 546 Ca -0.11 0.95 0.19 0.00 -0.04 0.00 0.00 63.50 64.49 2kuf n PRO 546 Cb 0.59 -2.73 0.86 0.00 -0.04 0.00 0.00 33.50 32.19 2kuf n PRO 546 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kuf h VAL 547 N 3.32 0.00 0.00 0.52 3.04 -1.00 -2.21 116.25 119.93 2kuf h VAL 547 Ca -0.47 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2kuf h VAL 547 Cb 1.23 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2kuf h VAL 547 CO 0.78 0.00 -1.09 -0.67 -1.01 0.00 0.00 177.57 175.59 2kuf n ASP 548 N -3.07 0.64 -3.94 3.17 2.03 -1.26 -3.87 116.55 110.25 2kuf n ASP 548 Ca -0.01 0.08 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 2kuf n ASP 548 Cb 0.23 0.72 0.21 0.00 -0.72 0.00 0.00 41.12 41.56 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kuf s SER 549 N -4.63 2.51 -0.16 1.67 1.04 -0.83 -4.53 113.70 108.77 2kuf s SER 549 Ca 0.01 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 2kuf s SER 549 Cb 0.12 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2kuf s SER 549 CO 0.80 -3.10 -0.04 0.54 0.98 0.00 0.00 173.24 172.41 2kuf s VAL 550 N -3.80 3.75 -0.09 5.02 0.11 -1.26 -1.90 120.40 122.23 2kuf s VAL 550 Ca 0.75 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2kuf s VAL 550 Cb -0.03 -2.65 -0.05 0.00 -1.53 0.00 0.00 36.38 32.12 2kuf s VAL 550 CO 0.54 0.48 0.22 -0.63 -3.33 0.00 0.00 175.10 172.38 2kuf s ILE 551 N 0.54 5.36 -0.26 7.04 1.01 0.77 -4.91 121.20 130.76 2kuf s ILE 551 Ca -0.04 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 2kuf s ILE 551 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2kuf s ILE 551 CO 0.03 0.59 0.12 -1.83 0.00 0.00 0.00 174.94 173.84 2kuf s GLU 552 N -0.88 3.78 -0.25 2.79 1.03 -1.26 0.02 118.70 123.93 2kuf s GLU 552 Ca 0.17 -0.41 -0.09 0.00 0.03 0.00 0.00 54.97 54.67 2kuf s GLU 552 Cb -0.13 -3.46 -0.04 0.00 -0.80 0.00 0.00 34.13 29.70 2kuf s GLU 552 CO 0.06 -0.17 0.14 -0.51 -1.33 0.00 0.00 175.26 173.44 2kuf s LEU 553 N 1.64 3.85 -0.19 1.83 1.02 0.74 -1.03 118.68 126.53 2kuf s LEU 553 Ca 0.07 -0.03 -0.24 0.00 0.02 0.00 0.00 54.13 53.94 2kuf s LEU 553 Cb -0.15 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 2kuf s LEU 553 CO 0.06 0.00 0.77 -1.10 0.02 0.00 0.00 176.35 176.11 2kuf s GLN 554 N 1.42 4.24 -0.18 1.70 1.11 0.77 -0.88 119.66 127.85 2kuf s GLN 554 Ca 0.06 0.89 -0.03 0.00 0.01 0.00 0.00 55.36 56.29 2kuf s GLN 554 Cb -0.15 -3.59 -0.02 0.00 -1.01 0.00 0.00 33.01 28.24 2kuf s GLN 554 CO 0.06 -0.35 -0.05 0.08 0.01 0.00 0.00 175.29 175.04 2kuf s VAL 555 N 2.25 3.53 0.07 1.09 1.01 0.85 -0.07 120.40 129.13 2kuf s VAL 555 Ca 0.35 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2kuf s VAL 555 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2kuf s VAL 555 CO 0.11 0.46 0.30 -0.44 0.00 0.00 0.00 175.10 175.52 2kuf s SER 556 N 0.89 6.47 -0.04 3.32 0.01 -0.80 -0.07 113.70 123.48 2kuf s SER 556 Ca -0.01 0.51 0.02 0.00 1.31 0.00 0.00 55.95 57.79 2kuf s SER 556 Cb -0.15 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2kuf s SER 556 CO 0.01 0.16 -0.09 -1.59 0.41 0.00 0.00 173.24 172.15 2kuf s LYS 557 N -2.23 2.61 0.64 12.44 -2.85 0.73 -1.83 119.74 129.25 2kuf s LYS 557 Ca 0.34 -0.64 0.31 0.00 -1.00 0.00 0.00 55.97 54.98 2kuf s LYS 557 Cb -0.13 -2.50 1.72 0.00 -2.06 0.00 0.00 37.83 34.85 2kuf s LYS 557 CO 0.22 0.63 2.01 0.78 0.10 0.00 0.00 175.35 179.09 2kuf h GLY 558 N 5.03 0.00 0.00 0.59 0.00 -1.51 0.47 103.07 107.65 2kuf h GLY 558 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kuf h GLY 558 CO 0.52 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.05 2kuf n ASN 559 N -3.23 0.00 -4.56 0.19 2.85 -1.25 -4.34 115.26 104.93 2kuf n ASN 559 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.17 2kuf n ASN 559 Cb 0.38 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.29 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 -0.31 2.26 0.14 1.20 -0.21 -1.26 -0.62 119.66 120.86 2kuf s GLN 560 Ca 0.00 -0.91 0.09 0.00 0.02 0.00 0.00 55.36 54.55 2kuf s GLN 560 Cb 0.00 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 2kuf s GLN 560 CO 0.00 0.55 -0.20 -0.59 -2.12 0.00 0.00 175.29 172.93 2kuf s PHE 561 N -1.08 1.85 -0.09 0.91 -0.71 -0.61 -4.85 117.98 113.40 2kuf s PHE 561 Ca 0.18 -0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 55.33 2kuf s PHE 561 Cb -0.11 -0.95 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 2kuf s PHE 561 CO 0.10 0.30 1.39 0.54 -1.34 0.00 0.00 175.22 176.21 2kuf s VAL 562 N -1.71 3.96 0.01 -2.49 0.11 -1.26 -0.90 120.40 118.12 2kuf s VAL 562 Ca 0.13 1.22 -0.30 0.00 -2.93 0.00 0.00 61.98 60.10 2kuf s VAL 562 Cb -0.07 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2kuf s VAL 562 CO 0.06 -0.08 1.00 -0.32 -3.33 0.00 0.00 175.10 172.43 2kuf s MET 563 N 3.29 4.55 1.13 1.54 1.75 -0.26 -4.93 119.30 126.37 2kuf s MET 563 Ca 0.62 1.45 -0.13 0.00 -1.25 0.00 0.00 55.69 56.38 2kuf s MET 563 Cb -0.27 -3.45 0.26 0.00 2.84 0.00 0.00 34.83 34.21 2kuf s MET 563 CO 0.22 -0.06 1.04 -2.14 -0.65 0.00 0.00 175.02 173.43 2kuf s PRO 564 N 0.99 -0.63 -0.01 4.11 0.02 -1.26 -1.53 135.00 136.69 2kuf s PRO 564 Ca 0.52 0.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 2kuf s PRO 564 Cb -0.22 -1.59 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 2kuf s PRO 564 CO 0.28 -3.52 0.93 0.16 -0.33 0.00 0.00 177.00 174.52 2kuf s ASP 565 N -2.69 7.30 -0.00 2.53 -4.77 -1.26 -4.62 116.67 113.15 2kuf s ASP 565 Ca 0.68 1.57 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2kuf s ASP 565 Cb -0.24 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.06 2kuf s ASP 565 CO 0.63 -0.24 0.84 0.00 0.70 0.00 0.00 175.17 177.10 2kuf n LEU 566 N 3.90 1.33 -4.72 2.11 -0.00 -1.26 -5.05 117.00 113.31 2kuf n LEU 566 Ca 0.05 -1.36 -0.42 0.00 -0.00 0.00 0.00 56.01 54.28 2kuf n LEU 566 Cb 0.51 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2kuf n LEU 566 CO 0.51 0.34 0.71 -0.94 -0.00 0.00 0.00 177.39 178.01 2kuf s SER 567 N -0.72 7.37 0.00 1.45 1.04 -1.26 -3.81 113.70 117.77 2kuf s SER 567 Ca 0.01 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2kuf s SER 567 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kuf s SER 567 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2kuf n GLY 568 N 2.69 0.99 3.32 7.32 0.00 -1.25 -5.01 105.19 113.25 2kuf n GLY 568 Ca 0.05 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.97 1.56 0.57 1.61 0.23 -1.25 -4.84 119.30 114.21 2kuf s MET 569 Ca 0.00 -1.75 0.09 0.00 -1.03 0.00 0.00 55.69 53.00 2kuf s MET 569 Cb 0.00 0.34 0.08 0.00 -1.53 0.00 0.00 34.83 33.73 2kuf s MET 569 CO 0.00 -0.58 0.79 -0.06 -2.03 0.00 0.00 175.02 173.14 2kuf s PHE 570 N -3.69 1.53 0.15 3.16 0.08 -1.26 -1.03 117.98 116.91 2kuf s PHE 570 Ca 0.36 -0.67 0.19 0.00 0.12 0.00 0.00 56.93 56.93 2kuf s PHE 570 Cb 0.03 -2.28 0.65 0.00 -0.57 0.00 0.00 43.02 40.86 2kuf s PHE 570 CO 0.19 -1.13 1.72 2.35 -0.10 0.00 0.00 175.22 178.24 2kuf h TRP 571 N 0.17 0.00 0.00 0.36 2.91 -1.99 -1.03 115.95 116.37 2kuf h TRP 571 Ca -0.31 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.71 2kuf h TRP 571 Cb 1.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 2kuf h TRP 571 CO 0.39 0.38 0.00 1.55 -1.03 0.00 0.00 178.44 179.73 2kuf n VAL 572 N -3.51 0.79 -0.05 2.65 3.14 -1.26 -2.24 118.33 117.84 2kuf n VAL 572 Ca -0.00 0.14 -0.19 0.00 -2.96 0.00 0.00 64.34 61.33 2kuf n VAL 572 Cb 0.52 -1.07 -0.13 0.00 -1.06 0.00 0.00 33.84 32.09 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 -2.27 1.93 -0.16 6.55 8.00 -0.56 -4.44 116.55 125.60 2kuf n ASP 573 Ca 0.03 0.08 -0.04 0.00 0.71 0.00 0.00 54.79 55.57 2kuf n ASP 573 Cb 0.26 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.13 0.60 0.28 2.24 0.00 -0.78 -1.98 119.26 119.75 2kuf h ALA 574 Ca -0.48 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kuf h ALA 574 Cb 1.99 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2kuf h ALA 574 CO 0.02 -0.19 -0.43 0.93 0.00 0.00 0.00 179.25 179.57 2kuf h GLU 575 N 0.38 -0.75 -0.55 0.00 4.39 -1.66 0.76 114.58 117.15 2kuf h GLU 575 Ca 0.23 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 2kuf h GLU 575 Cb 0.22 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2kuf h GLU 575 CO -0.22 -0.50 0.27 -1.00 -1.16 0.00 0.00 179.01 176.41 2kuf h PRO 576 N -0.78 0.76 -0.77 2.33 0.13 -1.76 -2.83 132.00 129.09 2kuf h PRO 576 Ca -0.01 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 2kuf h PRO 576 Cb 0.74 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 2kuf h PRO 576 CO -0.16 0.58 0.29 0.00 -0.23 0.00 0.00 178.00 178.48 2kuf h ARG 577 N 0.77 1.15 -0.17 0.86 2.47 -0.89 -1.01 114.38 117.56 2kuf h ARG 577 Ca 0.19 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2kuf h ARG 577 Cb 0.07 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 2kuf h ARG 577 CO -0.03 0.95 0.01 1.37 0.56 0.00 0.00 179.97 182.83 2kuf h LEU 578 N 1.12 0.29 -0.97 3.04 8.10 -0.62 0.92 115.31 127.19 2kuf h LEU 578 Ca 0.25 -0.30 -0.09 0.00 0.11 0.00 0.00 57.88 57.86 2kuf h LEU 578 Cb 0.24 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 2kuf h LEU 578 CO -0.02 0.51 -0.17 0.08 -4.11 0.00 0.00 178.44 174.74 2kuf h ARG 579 N 0.06 0.55 -0.27 0.17 0.11 -1.46 0.12 114.38 113.66 2kuf h ARG 579 Ca 0.05 -0.18 -0.18 0.00 0.10 0.00 0.00 59.98 59.77 2kuf h ARG 579 Cb 0.36 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 2kuf h ARG 579 CO 0.01 0.70 -0.53 0.00 0.10 0.00 0.00 179.97 180.25 2kuf h ALA 580 N 1.32 0.54 -0.00 0.08 0.00 -0.89 -2.99 119.26 117.32 2kuf h ALA 580 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kuf h ALA 580 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kuf h ALA 580 CO 0.04 0.68 -0.11 1.47 0.00 0.00 0.00 179.25 181.33 2kuf n LEU 581 N -4.00 0.14 -0.25 0.00 -0.00 0.29 -4.90 117.00 108.28 2kuf n LEU 581 Ca -0.04 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2kuf n LEU 581 Cb 0.62 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2kuf n LEU 581 CO 0.49 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.53 2kuf n GLY 582 N 1.45 0.82 3.70 1.47 0.00 -0.87 -5.03 105.19 106.72 2kuf n GLY 582 Ca 0.08 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -2.51 3.50 -0.67 1.61 -0.00 0.37 -4.94 118.94 116.29 2kuf s TRP 583 Ca 0.00 1.14 0.15 0.00 -0.00 0.00 0.00 56.10 57.39 2kuf s TRP 583 Cb 0.00 -2.81 -0.16 0.00 -0.00 0.00 0.00 33.47 30.50 2kuf s TRP 583 CO 0.00 -0.02 0.62 0.25 -0.00 0.00 0.00 176.95 177.80 2kuf n THR 584 N 4.13 0.00 -1.46 5.86 -2.24 -1.26 -4.54 114.28 114.77 2kuf n THR 584 Ca -0.01 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2kuf n THR 584 Cb 0.51 0.97 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.36 -0.47 3.82 3.38 0.00 -0.96 -5.07 105.19 107.25 2kuf n GLY 585 Ca 0.03 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.89 3.20 -0.20 1.61 -1.94 -1.26 -5.01 119.30 112.80 2kuf s MET 586 Ca 0.03 -0.42 -0.15 0.00 -1.71 0.00 0.00 55.69 53.43 2kuf s MET 586 Cb -0.00 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2kuf s MET 586 CO 0.02 0.66 0.38 -1.17 -0.01 0.00 0.00 175.02 174.90 2kuf s LEU 587 N -1.77 4.16 -0.20 -0.03 2.96 -1.26 -4.30 118.68 118.24 2kuf s LEU 587 Ca 0.24 0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 2kuf s LEU 587 Cb -0.12 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.08 2kuf s LEU 587 CO 0.15 -0.06 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.42 2kuf s ASP 588 N 1.00 4.05 -0.16 3.68 2.15 -1.14 -5.06 116.67 121.20 2kuf s ASP 588 Ca 0.18 -0.43 -0.08 0.00 0.43 0.00 0.00 52.55 52.66 2kuf s ASP 588 Cb -0.15 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.75 2kuf s ASP 588 CO 0.08 0.01 0.10 -1.59 -0.17 0.00 0.00 175.17 173.59 2kuf s LYS 589 N 1.31 3.80 -0.04 4.34 0.00 -1.26 -0.99 119.74 126.89 2kuf s LYS 589 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 55.97 55.75 2kuf s LYS 589 Cb -0.14 -3.23 -0.00 0.00 0.00 0.00 0.00 37.83 34.45 2kuf s LYS 589 CO -0.04 0.47 0.05 0.78 0.00 0.00 0.00 175.35 176.61 2kuf h GLY 590 N 6.04 -0.02 -5.49 0.59 0.00 -0.97 -3.47 103.07 99.75 2kuf h GLY 590 Ca -0.45 0.01 -0.22 0.00 0.00 0.00 0.00 47.33 46.67 2kuf h GLY 590 CO 0.67 -0.01 -0.71 0.00 0.00 0.00 0.00 176.54 176.50 2kuf s ALA 591 N -2.86 -0.01 -0.19 3.60 0.00 -1.26 -5.06 121.76 115.98 2kuf s ALA 591 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2kuf s ALA 591 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2kuf s ALA 591 CO 0.01 -0.02 -0.04 0.16 0.00 0.00 0.00 175.76 175.87 2kuf s ASP 592 N -0.14 4.54 -0.12 0.00 -4.77 -1.26 -2.28 116.67 112.65 2kuf s ASP 592 Ca -0.02 -0.27 -0.04 0.00 -3.30 0.00 0.00 52.55 48.92 2kuf s ASP 592 Cb -0.01 -1.76 -0.04 0.00 -1.09 0.00 0.00 42.92 40.02 2kuf s ASP 592 CO -0.00 0.07 0.05 -0.69 0.70 0.00 0.00 175.17 175.30 2kuf s VAL 593 N 0.96 4.70 -0.42 2.11 1.01 -0.58 -4.77 120.40 123.40 2kuf s VAL 593 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2kuf s VAL 593 Cb -0.15 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2kuf s VAL 593 CO 0.01 0.58 1.62 -1.81 0.00 0.00 0.00 175.10 175.50 2kuf s ASP 594 N -0.62 6.00 0.00 3.32 1.11 -1.26 0.81 116.67 126.02 2kuf s ASP 594 Ca 0.11 0.88 0.00 0.00 0.18 0.00 0.00 52.55 53.72 2kuf s ASP 594 Cb -0.12 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.34 2kuf s ASP 594 CO 0.02 -1.70 0.00 0.00 1.18 0.00 0.00 175.17 174.67 2kuf n ALA 595 N 10.00 1.86 0.00 5.23 0.00 -1.26 -4.90 120.51 131.44 2kuf n ALA 595 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kuf n ALA 595 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 2.53 2.47 0.35 0.00 0.00 -1.25 -4.74 105.19 104.56 2kuf n GLY 596 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 0.35 1.93 -0.02 0.00 -1.99 -2.27 103.07 101.06 2kuf h GLY 597 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2kuf h GLY 597 CO 0.00 0.06 0.03 0.23 0.00 0.00 0.00 176.54 176.86 2kuf h SER 598 N 0.25 0.00 0.65 0.19 0.87 -1.95 -1.03 113.55 112.54 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 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kuf h SER 598 CO -0.05 0.00 -0.31 0.00 -0.53 0.00 0.00 176.83 175.94 2kuf n GLN 599 N -3.54 0.05 -3.22 2.24 1.13 -0.85 -4.96 117.38 108.23 2kuf n GLN 599 Ca -0.03 -0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 54.94 2kuf n GLN 599 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.45 -2.80 -2.46 1.08 8.25 -0.39 -4.82 115.22 112.63 2kuf n HIS 600 Ca 0.07 1.09 -0.38 0.00 -0.26 0.00 0.00 57.72 58.23 2kuf n HIS 600 Cb 0.33 -3.76 -0.03 0.00 1.12 0.00 0.00 29.99 27.65 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 -2.94 6.24 0.75 0.41 0.01 -1.26 -4.96 114.94 113.19 2kuf s ASN 601 Ca 0.02 -1.31 -0.08 0.00 -0.71 0.00 0.00 52.86 50.78 2kuf s ASN 601 Cb -0.01 -2.57 0.09 0.00 0.41 0.00 0.00 41.25 39.18 2kuf s ASN 601 CO 0.79 -1.75 1.07 -0.13 -1.51 0.00 0.00 177.10 175.57 2kuf s ARG 602 N 5.37 1.88 0.23 -0.60 0.52 -1.26 -4.48 118.95 120.61 2kuf s ARG 602 Ca 0.51 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.06 2kuf s ARG 602 Cb -0.01 -2.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.22 2kuf s ARG 602 CO -0.08 -1.47 1.65 0.54 0.02 0.00 0.00 175.30 175.96 2kuf s VAL 603 N -3.36 2.15 -0.09 3.52 0.11 -0.20 -3.23 120.40 119.30 2kuf s VAL 603 Ca 0.63 0.11 0.12 0.00 -2.93 0.00 0.00 61.98 59.91 2kuf s VAL 603 Cb -0.09 -3.07 -0.17 0.00 -1.53 0.00 0.00 36.38 31.52 2kuf s VAL 603 CO 0.46 0.01 0.12 1.33 -3.33 0.00 0.00 175.10 173.69 2kuf n VAL 604 N 3.40 0.61 -3.78 2.04 0.24 -0.53 -3.83 118.33 116.48 2kuf n VAL 604 Ca 0.13 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 2kuf n VAL 604 Cb 0.36 -0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.48 -0.27 0.01 6.34 5.04 -0.92 -5.03 117.35 120.04 2kuf s TYR 605 Ca -0.06 0.64 -0.01 0.00 -2.44 0.00 0.00 57.07 55.20 2kuf s TYR 605 Cb 0.05 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 2kuf s TYR 605 CO 0.52 -0.17 -0.00 1.14 -1.34 0.00 0.00 175.55 175.70 2kuf s GLN 606 N -0.06 0.21 0.04 4.97 -2.07 -1.26 0.01 119.66 121.50 2kuf s GLN 606 Ca -0.02 -0.36 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 2kuf s GLN 606 Cb -0.02 0.08 -0.17 0.00 -1.09 0.00 0.00 33.01 31.81 2kuf s GLN 606 CO 0.01 -0.04 1.38 -0.97 -1.32 0.00 0.00 175.29 174.35 2kuf h ASN 607 N 5.19 -0.92 -3.55 12.60 -0.73 -1.27 -3.40 115.58 123.50 2kuf h ASN 607 Ca -0.29 0.03 -0.61 0.00 1.87 0.00 0.00 56.30 57.30 2kuf h ASN 607 Cb 1.21 0.24 -0.12 0.00 0.27 0.00 0.00 38.32 39.91 2kuf h ASN 607 CO 0.44 -0.63 0.01 -2.16 -0.37 0.00 0.00 177.43 174.73 2kuf s PRO 608 N -5.25 4.09 0.83 6.67 0.05 -1.26 -5.06 135.00 135.06 2kuf s PRO 608 Ca -0.16 0.37 -0.11 0.00 0.05 0.00 0.00 61.00 61.15 2kuf s PRO 608 Cb 0.02 -3.64 0.09 0.00 0.05 0.00 0.00 34.50 31.01 2kuf s PRO 608 CO 0.47 -0.33 1.10 -2.14 0.05 0.00 0.00 177.00 176.15 2kuf s PRO 609 N 2.25 1.81 0.17 0.56 0.02 -1.26 -4.90 135.00 133.64 2kuf s PRO 609 Ca 0.22 1.23 -0.31 0.00 0.02 0.00 0.00 61.00 62.15 2kuf s PRO 609 Cb -0.16 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 2kuf s PRO 609 CO 0.09 -1.98 1.80 0.00 -0.33 0.00 0.00 177.00 176.58 2kuf n ALA 610 N -3.76 2.55 0.00 -1.55 0.00 -1.26 -1.55 120.51 114.94 2kuf n ALA 610 Ca 0.09 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kuf n ALA 610 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 4.14 0.47 3.88 0.00 0.00 -0.58 -4.97 105.19 108.12 2kuf n GLY 611 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 5.17 -0.07 2.61 2.01 -0.60 -4.74 115.64 118.01 2kuf s THR 612 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2kuf s THR 612 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2kuf s THR 612 CO 0.00 0.21 1.26 -0.83 -0.69 0.00 0.00 174.62 174.57 2kuf s GLY 613 N -1.99 1.94 -0.04 4.40 0.00 -1.26 -1.10 107.32 109.27 2kuf s GLY 613 Ca 0.35 0.63 -0.00 0.00 0.00 0.00 0.00 44.72 45.69 2kuf s GLY 613 CO 0.20 2.35 0.01 -1.34 0.00 0.00 0.00 173.10 174.32 2kuf s VAL 614 N 2.60 4.28 1.11 1.40 -7.23 -0.07 -4.84 120.40 117.66 2kuf s VAL 614 Ca 0.57 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 60.16 2kuf s VAL 614 Cb -0.25 -2.86 0.16 0.00 0.56 0.00 0.00 36.38 33.99 2kuf s VAL 614 CO 0.21 0.48 0.23 -0.46 -0.31 0.00 0.00 175.10 175.25 2kuf n ASN 615 N 1.73 -2.84 -0.11 4.85 6.94 -1.26 -1.57 115.26 123.00 2kuf n ASN 615 Ca -0.16 -0.32 0.19 0.00 -0.02 0.00 0.00 54.58 54.26 2kuf n ASN 615 Cb 0.53 -0.87 0.60 0.00 -2.36 0.00 0.00 39.78 37.67 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 -2.52 0.21 -0.00 -3.83 0.11 -1.26 0.39 114.38 107.48 2kuf h ARG 616 Ca -0.39 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2kuf h ARG 616 Cb 1.09 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2kuf h ARG 616 CO 0.27 0.14 -0.22 -3.47 0.10 0.00 0.00 179.97 176.79 2kuf n ASP 617 N -4.42 0.43 -1.01 0.08 2.03 -1.26 -4.85 116.55 107.54 2kuf n ASP 617 Ca 0.13 -0.27 -0.13 0.00 0.52 0.00 0.00 54.79 55.04 2kuf n ASP 617 Cb 0.61 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.90 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kuf n GLY 618 N 1.40 1.39 3.67 0.27 0.00 0.14 -2.27 105.19 109.79 2kuf n GLY 618 Ca 0.10 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.47 3.81 -0.05 -0.61 -1.16 -1.26 -4.88 121.20 114.57 2kuf s ILE 619 Ca 0.00 1.02 0.03 0.00 -0.51 0.00 0.00 60.65 61.19 2kuf s ILE 619 Cb 0.00 -3.66 0.01 0.00 0.61 0.00 0.00 42.46 39.42 2kuf s ILE 619 CO 0.00 -0.07 -0.13 -0.51 -2.81 0.00 0.00 174.94 171.42 2kuf s ILE 620 N 3.58 1.13 -0.08 2.00 -1.16 -1.26 -4.79 121.20 120.62 2kuf s ILE 620 Ca 0.66 -0.50 0.02 0.00 -0.51 0.00 0.00 60.65 60.31 2kuf s ILE 620 Cb -0.30 -1.01 -0.02 0.00 0.61 0.00 0.00 42.46 41.74 2kuf s ILE 620 CO 0.24 0.35 -0.12 0.28 -2.81 0.00 0.00 174.94 172.88 2kuf s THR 621 N 0.45 3.25 0.15 4.00 -1.32 -1.26 -2.86 115.64 118.05 2kuf s THR 621 Ca -0.10 -0.64 -0.00 0.00 -1.21 0.00 0.00 61.69 59.74 2kuf s THR 621 Cb -0.14 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 2kuf s THR 621 CO 0.03 0.57 0.05 -1.48 -2.21 0.00 0.00 174.62 171.58 2kuf s LEU 622 N -0.47 1.80 -0.02 9.08 0.05 -0.16 -0.64 118.68 128.30 2kuf s LEU 622 Ca 0.06 -1.22 0.04 0.00 0.05 0.00 0.00 54.13 53.06 2kuf s LEU 622 Cb -0.12 0.21 -0.00 0.00 -2.05 0.00 0.00 46.19 44.23 2kuf s LEU 622 CO 0.02 -0.70 -0.14 -0.13 -0.55 0.00 0.00 176.35 174.85 2kuf s ARG 623 N -4.03 1.30 0.14 1.48 0.52 0.10 -0.22 118.95 118.24 2kuf s ARG 623 Ca 0.26 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 54.96 2kuf s ARG 623 Cb 0.07 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 2kuf s ARG 623 CO 0.04 0.24 0.10 -0.59 0.02 0.00 0.00 175.30 175.10 2kuf s PHE 624 N -0.08 0.80 0.22 -0.53 -0.71 -0.96 -1.45 117.98 115.27 2kuf s PHE 624 Ca 0.00 -1.16 -0.15 0.00 -1.04 0.00 0.00 56.93 54.58 2kuf s PHE 624 Cb -0.08 -0.41 -0.08 0.00 -1.21 0.00 0.00 43.02 41.24 2kuf s PHE 624 CO 0.01 -0.56 0.64 0.20 -1.34 0.00 0.00 175.22 174.16 2kuf s GLY 625 N -3.04 2.45 0.00 1.99 0.00 -1.20 -1.52 107.32 105.99 2kuf s GLY 625 Ca 0.24 -0.03 0.24 0.00 0.00 0.00 0.00 44.72 45.17 2kuf s GLY 625 CO 0.02 0.23 1.27 -0.18 0.00 0.00 0.00 173.10 174.44