#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 4.51 -1.61 1.61 0.02 -1.26 -3.73 135.00 134.54 2kuf s PRO 492 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 2kuf s PRO 492 Cb 0.00 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2kuf s PRO 492 CO 0.00 0.16 0.13 0.00 -0.33 0.00 0.00 177.00 176.96 2kuf n ALA 493 N 0.72 -0.65 -2.90 -1.55 0.00 -1.26 -4.97 120.51 109.90 2kuf n ALA 493 Ca 0.01 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 2kuf n ALA 493 Cb 0.48 -2.45 -0.13 0.00 0.00 0.00 0.00 19.45 17.35 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 -3.01 0.10 -0.01 0.00 -4.23 -1.24 0.06 115.64 107.30 2kuf s THR 494 Ca 0.07 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2kuf s THR 494 Cb -0.03 -0.16 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 2kuf s THR 494 CO 0.08 -0.19 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.15 2kuf s LYS 495 N -0.63 0.55 0.08 3.99 2.36 0.12 -4.62 119.74 121.60 2kuf s LYS 495 Ca -0.06 -0.23 -0.30 0.00 -2.55 0.00 0.00 55.97 52.83 2kuf s LYS 495 Cb -0.04 -0.53 -0.05 0.00 -1.05 0.00 0.00 37.83 36.15 2kuf s LYS 495 CO -0.00 0.13 1.01 0.16 1.55 0.00 0.00 175.35 178.20 2kuf s ASP 496 N -0.09 7.39 -0.20 1.43 -4.77 -1.26 -0.75 116.67 118.42 2kuf s ASP 496 Ca 0.02 1.82 -0.12 0.00 -3.30 0.00 0.00 52.55 50.97 2kuf s ASP 496 Cb -0.03 -2.58 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 2kuf s ASP 496 CO -0.00 -0.19 0.20 0.27 0.70 0.00 0.00 175.17 176.15 2kuf s ILE 497 N 0.37 5.36 0.00 2.11 -4.36 -0.53 -4.96 121.20 119.18 2kuf s ILE 497 Ca 0.50 0.32 0.00 0.00 -0.26 0.00 0.00 60.65 61.21 2kuf s ILE 497 Cb -0.24 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 39.93 2kuf s ILE 497 CO 0.30 0.39 0.00 -0.81 0.24 0.00 0.00 174.94 175.06 2kuf n PRO 498 N 3.79 1.08 -3.00 0.37 -0.04 -1.26 0.06 135.00 135.99 2kuf n PRO 498 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 2kuf n PRO 498 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kuf s ASP 499 N -1.00 6.95 -0.56 3.54 -4.77 -1.26 -4.58 116.67 114.98 2kuf s ASP 499 Ca 0.00 1.15 0.06 0.00 -3.30 0.00 0.00 52.55 50.46 2kuf s ASP 499 Cb 0.00 -2.42 0.32 0.00 -1.09 0.00 0.00 42.92 39.73 2kuf s ASP 499 CO 0.00 -0.22 0.87 1.33 0.70 0.00 0.00 175.17 177.85 2kuf n VAL 500 N 4.18 2.43 -4.05 2.11 0.24 -1.26 -5.00 118.33 116.97 2kuf n VAL 500 Ca 0.00 -5.34 -0.32 0.00 -2.04 0.00 0.00 64.34 56.65 2kuf n VAL 500 Cb 0.50 -1.45 -0.15 0.00 -1.47 0.00 0.00 33.84 31.28 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 -3.06 2.57 0.00 2.33 0.00 -1.26 -2.66 121.76 119.68 2kuf s ALA 501 Ca 0.46 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2kuf s ALA 501 Cb 0.26 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2kuf s ALA 501 CO -0.10 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.80 2kuf n GLY 502 N 4.42 1.27 2.82 0.00 0.00 -0.09 -4.95 105.19 108.66 2kuf n GLY 502 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 0.74 -1.98 1.61 0.00 -1.26 -4.86 117.38 111.64 2kuf n GLN 503 Ca 0.00 -2.29 -0.32 0.00 0.00 0.00 0.00 57.00 54.38 2kuf n GLN 503 Cb 0.00 -0.11 0.02 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 -1.65 3.84 0.18 -0.39 2.01 -1.26 -1.24 115.64 117.13 2kuf s THR 504 Ca 0.41 0.83 -0.10 0.00 0.31 0.00 0.00 61.69 63.14 2kuf s THR 504 Cb -0.03 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.18 2kuf s THR 504 CO 0.26 -0.55 1.70 1.62 -0.69 0.00 0.00 174.62 176.96 2kuf h VAL 505 N 0.27 1.25 -0.75 3.82 3.04 -0.72 0.25 116.25 123.40 2kuf h VAL 505 Ca -0.46 -0.89 0.02 0.00 -1.01 0.00 0.00 66.70 64.35 2kuf h VAL 505 Cb 1.22 0.61 -0.04 0.00 -2.01 0.00 0.00 31.29 31.07 2kuf h VAL 505 CO 0.57 0.34 0.49 -0.78 -1.01 0.00 0.00 177.57 177.18 2kuf h ASP 506 N 0.93 0.84 -0.35 3.17 1.82 -1.93 0.20 116.42 121.11 2kuf h ASP 506 Ca 0.20 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 2kuf h ASP 506 Cb 0.33 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2kuf h ASP 506 CO -0.00 0.60 0.05 0.58 -1.61 0.00 0.00 179.24 178.86 2kuf h VAL 507 N 0.99 1.24 -0.40 2.25 2.07 -1.78 0.93 116.25 121.55 2kuf h VAL 507 Ca 0.28 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kuf h VAL 507 Cb -0.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2kuf h VAL 507 CO -0.08 0.28 0.16 0.00 0.02 0.00 0.00 177.57 177.96 2kuf h ALA 508 N 0.89 0.52 -0.42 1.67 0.00 0.08 0.20 119.26 122.21 2kuf h ALA 508 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kuf h ALA 508 CO 0.01 0.13 0.22 1.96 0.00 0.00 0.00 179.25 181.57 2kuf h GLN 509 N 0.51 0.60 -0.52 0.00 4.20 -0.32 0.20 115.11 119.77 2kuf h GLN 509 Ca 0.13 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2kuf h GLN 509 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2kuf h GLN 509 CO -0.01 0.49 -0.11 0.87 -0.67 0.00 0.00 178.83 179.41 2kuf h LYS 510 N 0.55 0.98 -0.55 1.46 1.79 -0.72 -0.39 116.57 119.69 2kuf h LYS 510 Ca 0.15 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 2kuf h LYS 510 Cb 0.08 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2kuf h LYS 510 CO -0.02 1.03 0.31 -0.91 -1.08 0.00 0.00 179.45 178.77 2kuf h ASN 511 N 0.87 0.69 -0.41 0.86 2.35 -0.04 0.06 115.58 119.95 2kuf h ASN 511 Ca 0.14 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2kuf h ASN 511 Cb 0.66 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2kuf h ASN 511 CO 0.05 0.57 -0.03 0.25 -1.65 0.00 0.00 177.43 176.62 2kuf h LEU 512 N 0.74 0.74 -1.36 1.61 7.12 -0.84 -2.92 115.31 120.39 2kuf h LEU 512 Ca 0.19 -0.32 0.01 0.00 0.13 0.00 0.00 57.88 57.89 2kuf h LEU 512 Cb 0.04 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 2kuf h LEU 512 CO -0.03 0.88 0.44 -1.13 -0.13 0.00 0.00 178.44 178.47 2kuf h ASN 513 N 0.57 0.75 -0.96 1.25 -0.00 -0.34 0.20 115.58 117.05 2kuf h ASN 513 Ca 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.40 2kuf h ASN 513 Cb 0.52 -0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 38.61 2kuf h ASN 513 CO 0.03 0.54 0.63 0.58 -0.00 0.00 0.00 177.43 179.20 2kuf h VAL 514 N 0.88 1.25 -0.45 2.57 2.07 -0.81 0.39 116.25 122.15 2kuf h VAL 514 Ca 0.25 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2kuf h VAL 514 Cb -0.08 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.53 2kuf h VAL 514 CO -0.06 0.24 0.00 -1.22 0.02 0.00 0.00 177.57 176.55 2kuf n TYR 515 N -4.41 0.87 0.05 1.57 4.01 -0.72 -4.65 117.16 113.88 2kuf n TYR 515 Ca 0.11 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 2kuf n TYR 515 Cb 0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.58 -0.11 2.36 2.72 0.00 0.61 -5.00 105.19 106.36 2kuf n GLY 516 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.01 -0.43 -1.40 1.61 3.72 0.13 -4.99 117.46 113.11 2kuf n PHE 517 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2kuf n PHE 517 Cb 0.08 -3.01 0.07 0.00 -0.94 0.00 0.00 39.48 35.68 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.39 0.00 -4.49 4.37 -2.24 -1.26 -4.99 114.28 102.27 2kuf n THR 518 Ca -0.17 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 2kuf n THR 518 Cb 0.59 -1.78 -0.11 0.00 -2.10 0.00 0.00 70.33 66.92 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -4.01 2.99 0.05 -0.78 3.01 -1.20 -4.93 119.74 114.87 2kuf s LYS 519 Ca 0.27 -0.49 0.04 0.00 -1.01 0.00 0.00 55.97 54.79 2kuf s LYS 519 Cb -0.01 -2.72 -0.03 0.00 -1.01 0.00 0.00 37.83 34.06 2kuf s LYS 519 CO 0.19 0.61 -0.12 -0.59 0.51 0.00 0.00 175.35 175.95 2kuf s PHE 520 N -0.66 1.02 0.02 3.18 -0.12 -1.26 -0.11 117.98 120.05 2kuf s PHE 520 Ca 0.10 -0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 56.52 2kuf s PHE 520 Cb -0.12 -0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 2kuf s PHE 520 CO 0.02 0.01 0.01 -1.12 -0.05 0.00 0.00 175.22 174.09 2kuf s SER 521 N -1.54 0.21 -0.05 1.98 0.01 0.36 -4.85 113.70 109.81 2kuf s SER 521 Ca -0.04 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.81 2kuf s SER 521 Cb -0.09 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 2kuf s SER 521 CO 0.01 -0.35 -0.24 0.00 0.41 0.00 0.00 173.24 173.07 2kuf s GLN 522 N -1.66 2.45 -0.04 12.44 -2.07 -1.26 -0.27 119.66 129.25 2kuf s GLN 522 Ca -0.14 -0.90 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 2kuf s GLN 522 Cb -0.08 -2.15 -0.01 0.00 -1.09 0.00 0.00 33.01 29.67 2kuf s GLN 522 CO -0.01 0.44 -0.25 0.00 -1.32 0.00 0.00 175.29 174.14 2kuf s ALA 523 N -0.30 2.16 -0.13 2.60 0.00 0.42 -4.92 121.76 121.59 2kuf s ALA 523 Ca 0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 2kuf s ALA 523 Cb -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2kuf s ALA 523 CO 0.02 0.47 0.02 -1.12 0.00 0.00 0.00 175.76 175.15 2kuf s SER 524 N -0.36 5.31 0.09 0.00 0.01 -1.26 0.02 113.70 117.51 2kuf s SER 524 Ca 0.02 0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.41 2kuf s SER 524 Cb -0.12 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 2kuf s SER 524 CO 0.02 0.27 -0.13 0.54 0.41 0.00 0.00 173.24 174.35 2kuf s VAL 525 N -0.21 1.11 0.18 3.43 0.11 0.41 -4.94 120.40 120.48 2kuf s VAL 525 Ca 0.06 -1.53 -0.30 0.00 -2.93 0.00 0.00 61.98 57.28 2kuf s VAL 525 Cb -0.12 -1.29 -0.08 0.00 -1.53 0.00 0.00 36.38 33.36 2kuf s VAL 525 CO 0.02 -0.39 1.18 -0.62 -3.33 0.00 0.00 175.10 171.96 2kuf s ASP 526 N -2.17 7.11 0.23 3.54 -1.08 -1.26 -0.21 116.67 122.84 2kuf s ASP 526 Ca 0.03 2.20 -0.22 0.00 -0.52 0.00 0.00 52.55 54.04 2kuf s ASP 526 Cb -0.06 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2kuf s ASP 526 CO 0.02 -0.35 0.74 -0.44 0.52 0.00 0.00 175.17 175.65 2kuf s SER 527 N 0.14 -0.30 0.48 -0.34 0.01 0.65 -4.81 113.70 109.54 2kuf s SER 527 Ca 0.53 -0.46 0.28 0.00 1.31 0.00 0.00 55.95 57.60 2kuf s SER 527 Cb -0.32 0.66 1.04 0.00 0.21 0.00 0.00 66.02 67.61 2kuf s SER 527 CO 0.36 -1.20 1.86 -0.65 0.41 0.00 0.00 173.24 174.02 2kuf h PRO 528 N 2.00 0.00 -6.95 12.44 0.11 -1.88 -3.26 132.00 134.46 2kuf h PRO 528 Ca -0.22 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.38 2kuf h PRO 528 Cb 1.26 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.42 2kuf h PRO 528 CO 0.26 0.11 0.52 1.03 -0.21 0.00 0.00 178.00 179.71 2kuf s ARG 529 N -3.60 4.00 0.66 1.05 3.00 -1.26 -4.77 118.95 118.03 2kuf s ARG 529 Ca 0.01 1.87 -0.17 0.00 0.00 0.00 0.00 55.73 57.45 2kuf s ARG 529 Cb 0.09 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.40 2kuf s ARG 529 CO 0.60 -0.38 1.20 -1.25 0.00 0.00 0.00 175.30 175.47 2kuf s PRO 530 N -2.35 2.58 -0.20 3.54 0.04 -1.26 -1.16 135.00 136.19 2kuf s PRO 530 Ca 0.58 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 2kuf s PRO 530 Cb -0.31 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2kuf s PRO 530 CO 0.39 -1.49 2.06 0.00 0.04 0.00 0.00 177.00 178.00 2kuf s ALA 531 N -1.85 2.93 0.00 8.56 0.00 -1.22 -1.91 121.76 128.27 2kuf s ALA 531 Ca 0.75 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2kuf s ALA 531 Cb -0.29 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2kuf s ALA 531 CO 0.40 -2.51 0.00 0.41 0.00 0.00 0.00 175.76 174.06 2kuf n GLY 532 N 5.42 1.34 3.73 0.00 0.00 -0.93 -4.97 105.19 109.78 2kuf n GLY 532 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 4.67 -0.27 1.61 2.12 -0.80 0.01 118.70 126.03 2kuf s GLU 533 Ca 0.00 1.44 -0.13 0.00 0.36 0.00 0.00 54.97 56.64 2kuf s GLU 533 Cb 0.00 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2kuf s GLU 533 CO 0.00 0.17 0.30 0.54 -0.54 0.00 0.00 175.26 175.73 2kuf s VAL 534 N 0.17 5.23 -2.44 3.70 0.11 -0.37 -0.89 120.40 125.90 2kuf s VAL 534 Ca 0.48 0.42 0.26 0.00 -2.93 0.00 0.00 61.98 60.20 2kuf s VAL 534 Cb -0.23 -3.63 0.52 0.00 -1.53 0.00 0.00 36.38 31.51 2kuf s VAL 534 CO 0.29 0.19 1.68 0.35 -3.33 0.00 0.00 175.10 174.29 2kuf n THR 535 N 5.08 0.06 -0.80 5.04 -2.24 -0.73 -0.91 114.28 119.78 2kuf n THR 535 Ca -0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2kuf n THR 535 Cb 0.51 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.17 0.66 3.51 3.38 0.00 -1.09 -4.57 105.19 108.25 2kuf n GLY 536 Ca 0.18 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.86 2.82 0.03 2.61 -4.23 -1.26 -0.18 115.64 112.56 2kuf s THR 537 Ca 0.00 -1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 58.38 2kuf s THR 537 Cb 0.00 -2.40 -0.18 0.00 1.34 0.00 0.00 72.50 71.27 2kuf s THR 537 CO 0.00 -0.15 1.47 -1.13 -0.54 0.00 0.00 174.62 174.26 2kuf h ASN 538 N 2.91 -0.04 -3.77 3.99 -1.24 -1.35 -3.42 115.58 112.65 2kuf h ASN 538 Ca -0.46 -0.25 -0.52 0.00 0.71 0.00 0.00 56.30 55.78 2kuf h ASN 538 Cb 1.21 0.01 0.06 0.00 0.73 0.00 0.00 38.32 40.33 2kuf h ASN 538 CO 0.53 0.23 0.64 -2.16 -1.29 0.00 0.00 177.43 175.37 2kuf s PRO 539 N -5.12 4.37 0.45 6.67 0.04 -1.26 -4.97 135.00 135.19 2kuf s PRO 539 Ca -0.15 2.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 2kuf s PRO 539 Cb 0.03 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.40 2kuf s PRO 539 CO 0.66 -0.18 1.35 -1.25 0.04 0.00 0.00 177.00 177.62 2kuf s PRO 540 N -1.44 3.69 0.20 0.56 0.04 -1.26 -4.93 135.00 131.84 2kuf s PRO 540 Ca 0.50 2.25 -0.31 0.00 0.04 0.00 0.00 61.00 63.48 2kuf s PRO 540 Cb -0.39 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 2kuf s PRO 540 CO 0.49 -0.76 1.55 0.00 0.04 0.00 0.00 177.00 178.33 2kuf s ALA 541 N -1.26 3.75 0.00 8.56 0.00 -1.26 -2.23 121.76 129.32 2kuf s ALA 541 Ca 0.62 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2kuf s ALA 541 Cb -0.40 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2kuf s ALA 541 CO 0.51 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2kuf n GLY 542 N 3.29 0.61 3.77 0.00 0.00 0.11 -4.98 105.19 107.99 2kuf n GLY 542 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kuf s THR 543 N -2.00 4.53 0.02 2.61 -1.32 -0.95 -4.77 115.64 113.76 2kuf s THR 543 Ca 0.00 1.62 -0.28 0.00 -1.21 0.00 0.00 61.69 61.81 2kuf s THR 543 Cb 0.00 -4.10 -0.04 0.00 -1.51 0.00 0.00 72.50 66.85 2kuf s THR 543 CO 0.00 0.47 0.91 0.28 -2.21 0.00 0.00 174.62 174.07 2kuf s THR 544 N -0.78 4.81 0.15 5.08 -1.32 -1.26 -1.46 115.64 120.87 2kuf s THR 544 Ca 0.36 1.92 0.08 0.00 -1.21 0.00 0.00 61.69 62.83 2kuf s THR 544 Cb -0.22 -4.25 -0.04 0.00 -1.51 0.00 0.00 72.50 66.48 2kuf s THR 544 CO 0.24 0.23 -0.17 0.68 -2.21 0.00 0.00 174.62 173.39 2kuf s VAL 545 N 0.67 1.65 0.29 5.08 -7.23 0.07 -4.93 120.40 116.00 2kuf s VAL 545 Ca 0.47 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 2kuf s VAL 545 Cb -0.21 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 2kuf s VAL 545 CO 0.26 -0.35 1.23 -2.84 -0.31 0.00 0.00 175.10 173.09 2kuf s PRO 546 N -2.75 4.47 0.56 4.82 0.02 -1.26 0.14 135.00 140.99 2kuf s PRO 546 Ca 0.13 2.03 0.37 0.00 0.02 0.00 0.00 61.00 63.55 2kuf s PRO 546 Cb -0.05 -3.14 1.80 0.00 0.02 0.00 0.00 34.50 33.12 2kuf s PRO 546 CO 0.05 -0.05 2.11 -0.24 -0.33 0.00 0.00 177.00 178.54 2kuf h VAL 547 N 3.20 0.00 0.00 3.83 3.04 -0.70 -0.93 116.25 124.70 2kuf h VAL 547 Ca -0.47 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2kuf h VAL 547 Cb 1.22 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2kuf h VAL 547 CO 0.68 0.00 -0.58 -0.78 -1.01 0.00 0.00 177.57 175.88 2kuf h ASP 548 N 0.00 0.00 -2.79 3.17 3.58 -1.91 -3.38 116.42 115.08 2kuf h ASP 548 Ca 0.00 -0.05 -0.45 0.00 0.42 0.00 0.00 57.03 56.95 2kuf h ASP 548 Cb 0.23 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.32 2kuf h ASP 548 CO 0.00 0.03 -0.01 -0.44 -2.88 0.00 0.00 179.24 175.93 2kuf s SER 549 N -5.23 5.44 -0.09 2.28 0.01 -0.35 -4.82 113.70 110.93 2kuf s SER 549 Ca 0.04 0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 2kuf s SER 549 Cb 0.10 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 2kuf s SER 549 CO 0.73 -1.04 0.25 0.54 0.41 0.00 0.00 173.24 174.13 2kuf s VAL 550 N -2.76 5.31 -0.13 3.43 0.11 -1.26 -3.26 120.40 121.84 2kuf s VAL 550 Ca 0.54 0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 59.95 2kuf s VAL 550 Cb -0.10 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2kuf s VAL 550 CO 0.39 0.57 0.24 -0.63 -3.33 0.00 0.00 175.10 172.34 2kuf s ILE 551 N -0.77 5.34 -0.30 7.04 1.01 0.84 -4.95 121.20 129.41 2kuf s ILE 551 Ca 0.18 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 61.16 2kuf s ILE 551 Cb -0.14 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2kuf s ILE 551 CO 0.07 0.49 0.15 -0.70 0.00 0.00 0.00 174.94 174.95 2kuf s GLU 552 N -0.18 3.54 -0.15 2.79 2.56 -1.26 -0.49 118.70 125.50 2kuf s GLU 552 Ca 0.16 -0.58 -0.06 0.00 0.00 0.00 0.00 54.97 54.48 2kuf s GLU 552 Cb -0.13 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 2kuf s GLU 552 CO 0.04 -0.33 0.05 -0.51 -0.56 0.00 0.00 175.26 173.95 2kuf s LEU 553 N 1.66 3.78 -0.48 2.70 1.02 0.63 -0.90 118.68 127.10 2kuf s LEU 553 Ca 0.06 0.12 -0.24 0.00 0.02 0.00 0.00 54.13 54.09 2kuf s LEU 553 Cb -0.16 -1.93 0.03 0.00 0.02 0.00 0.00 46.19 44.15 2kuf s LEU 553 CO 0.07 0.24 0.84 -1.58 0.02 0.00 0.00 176.35 175.95 2kuf s GLN 554 N -0.05 3.40 -0.22 1.70 2.00 0.75 -0.44 119.66 126.80 2kuf s GLN 554 Ca 0.06 -0.12 -0.14 0.00 -2.00 0.00 0.00 55.36 53.15 2kuf s GLN 554 Cb -0.12 -3.97 -0.04 0.00 0.80 0.00 0.00 33.01 29.68 2kuf s GLN 554 CO 0.01 -1.23 0.34 0.08 -0.50 0.00 0.00 175.29 173.99 2kuf s VAL 555 N 3.51 5.23 -0.02 1.34 1.01 0.10 -1.78 120.40 129.79 2kuf s VAL 555 Ca 0.31 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 2kuf s VAL 555 Cb -0.12 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2kuf s VAL 555 CO 0.22 0.26 0.63 -0.44 0.00 0.00 0.00 175.10 175.77 2kuf s SER 556 N 1.15 6.98 -0.11 3.32 0.01 -0.07 -0.45 113.70 124.53 2kuf s SER 556 Ca 0.16 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.60 2kuf s SER 556 Cb -0.15 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2kuf s SER 556 CO 0.07 0.03 -0.16 -1.59 0.41 0.00 0.00 173.24 172.00 2kuf s LYS 557 N 0.14 3.21 0.54 12.44 -2.85 0.71 -2.19 119.74 131.74 2kuf s LYS 557 Ca 0.33 -0.74 0.30 0.00 -1.00 0.00 0.00 55.97 54.86 2kuf s LYS 557 Cb -0.18 -2.52 1.55 0.00 -2.06 0.00 0.00 37.83 34.62 2kuf s LYS 557 CO 0.17 0.24 2.09 0.78 0.10 0.00 0.00 175.35 178.74 2kuf h GLY 558 N 6.58 0.00 0.00 0.59 0.00 -1.18 0.19 103.07 109.24 2kuf h GLY 558 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2kuf h GLY 558 CO 0.53 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.06 2kuf n ASN 559 N -3.52 0.00 -4.51 0.19 5.15 -1.26 -4.67 115.26 106.63 2kuf n ASN 559 Ca -0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 2kuf n ASN 559 Cb 0.23 -0.95 -0.12 0.00 -0.53 0.00 0.00 39.78 38.41 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 -0.22 2.41 0.22 1.20 -0.21 -1.26 -0.97 119.66 120.83 2kuf s GLN 560 Ca 0.00 -0.78 0.10 0.00 0.02 0.00 0.00 55.36 54.70 2kuf s GLN 560 Cb 0.00 -2.37 -0.05 0.00 1.00 0.00 0.00 33.01 31.59 2kuf s GLN 560 CO 0.00 0.60 -0.18 -0.59 -2.12 0.00 0.00 175.29 172.99 2kuf s PHE 561 N -0.87 1.99 -0.10 0.91 -0.71 0.63 -4.77 117.98 115.06 2kuf s PHE 561 Ca 0.14 -0.45 -0.29 0.00 -1.04 0.00 0.00 56.93 55.29 2kuf s PHE 561 Cb -0.11 -0.92 -0.05 0.00 -1.21 0.00 0.00 43.02 40.73 2kuf s PHE 561 CO 0.04 0.48 1.67 0.08 -1.34 0.00 0.00 175.22 176.15 2kuf s VAL 562 N -2.46 3.58 0.17 -2.49 1.01 -1.26 -0.45 120.40 118.51 2kuf s VAL 562 Ca 0.23 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 2kuf s VAL 562 Cb -0.04 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 2kuf s VAL 562 CO 0.10 -0.12 0.97 -0.32 0.00 0.00 0.00 175.10 175.73 2kuf s MET 563 N 4.30 4.75 1.12 2.72 1.75 0.33 -4.91 119.30 129.35 2kuf s MET 563 Ca 0.74 1.51 -0.14 0.00 -1.25 0.00 0.00 55.69 56.55 2kuf s MET 563 Cb -0.31 -3.32 0.25 0.00 2.84 0.00 0.00 34.83 34.28 2kuf s MET 563 CO 0.30 0.31 1.06 -1.25 -0.65 0.00 0.00 175.02 174.79 2kuf s PRO 564 N -0.53 -0.52 -0.04 4.11 0.04 -1.26 -1.37 135.00 135.43 2kuf s PRO 564 Ca 0.45 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.73 2kuf s PRO 564 Cb -0.25 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2kuf s PRO 564 CO 0.32 -3.37 0.88 0.34 0.04 0.00 0.00 177.00 175.20 2kuf s ASP 565 N -3.15 7.21 -0.07 6.66 -1.08 -1.26 -4.63 116.67 120.35 2kuf s ASP 565 Ca 0.67 1.46 0.10 0.00 -0.52 0.00 0.00 52.55 54.27 2kuf s ASP 565 Cb -0.20 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 2kuf s ASP 565 CO 0.60 -0.23 1.06 0.18 0.52 0.00 0.00 175.17 177.30 2kuf n LEU 566 N 3.99 1.89 -4.71 -1.34 7.99 -1.26 -5.05 117.00 118.50 2kuf n LEU 566 Ca 0.04 -2.39 -0.42 0.00 -0.01 0.00 0.00 56.01 53.22 2kuf n LEU 566 Cb 0.51 -0.24 -0.03 0.00 -0.11 0.00 0.00 43.42 43.55 2kuf n LEU 566 CO 0.50 0.56 0.71 -0.44 -1.51 0.00 0.00 177.39 177.22 2kuf s SER 567 N -1.98 7.35 -0.43 -1.43 0.01 -1.26 -4.24 113.70 111.71 2kuf s SER 567 Ca 0.18 1.75 -0.02 0.00 1.31 0.00 0.00 55.95 59.16 2kuf s SER 567 Cb 0.15 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2kuf s SER 567 CO 0.02 -0.26 0.38 0.61 0.41 0.00 0.00 173.24 174.40 2kuf n GLY 568 N 2.81 -0.19 3.63 3.44 0.00 -1.12 -5.02 105.19 108.74 2kuf n GLY 568 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.46 1.52 0.65 1.61 0.00 -1.26 -4.86 119.30 113.50 2kuf s MET 569 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 55.12 2kuf s MET 569 Cb -0.02 0.60 0.09 0.00 0.00 0.00 0.00 34.83 35.49 2kuf s MET 569 CO 0.33 -0.68 0.90 -0.06 0.00 0.00 0.00 175.02 175.50 2kuf s PHE 570 N -3.83 2.08 0.43 3.16 0.40 -1.26 -0.03 117.98 118.93 2kuf s PHE 570 Ca 0.06 -0.20 0.15 0.00 -0.60 0.00 0.00 56.93 56.34 2kuf s PHE 570 Cb -0.03 -2.85 0.98 0.00 0.51 0.00 0.00 43.02 41.62 2kuf s PHE 570 CO -0.03 -1.35 1.96 2.35 0.70 0.00 0.00 175.22 178.85 2kuf h TRP 571 N -0.25 0.00 0.00 0.36 2.91 -1.98 0.74 115.95 117.73 2kuf h TRP 571 Ca -0.38 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.64 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 0.07 0.22 0.00 1.33 -1.03 0.00 0.00 178.44 179.03 2kuf n VAL 572 N -4.23 0.32 -0.12 2.65 0.24 -1.26 -0.44 118.33 115.49 2kuf n VAL 572 Ca -0.02 0.08 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2kuf n VAL 572 Cb 0.28 -0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 31.84 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 -1.32 2.00 -0.25 -1.34 8.00 -0.27 -4.45 116.55 118.92 2kuf n ASP 573 Ca 0.10 0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.59 2kuf n ASP 573 Cb 0.19 -0.52 0.05 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.39 0.93 0.06 2.24 0.00 -0.55 -0.81 119.26 120.74 2kuf h ALA 574 Ca -0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 2kuf h ALA 574 Cb 1.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kuf h ALA 574 CO -0.21 0.67 -0.03 1.49 0.00 0.00 0.00 179.25 181.17 2kuf h GLU 575 N 1.07 -0.07 -0.83 0.00 4.22 -1.01 -1.03 114.58 116.94 2kuf h GLU 575 Ca 0.22 0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.84 2kuf h GLU 575 Cb 0.39 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2kuf h GLU 575 CO 0.00 0.24 0.55 -1.35 -2.18 0.00 0.00 179.01 176.27 2kuf h PRO 576 N -0.39 0.38 -0.92 0.92 0.11 -1.76 -0.88 132.00 129.46 2kuf h PRO 576 Ca -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2kuf h PRO 576 Cb 0.34 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 2kuf h PRO 576 CO 0.01 0.25 0.55 0.00 -0.21 0.00 0.00 178.00 178.60 2kuf h ARG 577 N 0.39 1.25 -0.35 1.05 2.47 -0.53 0.19 114.38 118.85 2kuf h ARG 577 Ca 0.42 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.97 2kuf h ARG 577 Cb 1.03 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2kuf h ARG 577 CO -0.14 0.87 0.01 1.37 0.56 0.00 0.00 179.97 182.65 2kuf h LEU 578 N 1.27 0.59 -1.01 3.04 8.10 0.14 0.18 115.31 127.63 2kuf h LEU 578 Ca 0.33 -0.30 -0.08 0.00 0.11 0.00 0.00 57.88 57.94 2kuf h LEU 578 Cb -0.05 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 39.99 2kuf h LEU 578 CO -0.06 0.75 -0.19 0.08 -4.11 0.00 0.00 178.44 174.91 2kuf h ARG 579 N 0.42 0.49 -0.23 0.17 0.11 -1.34 0.28 114.38 114.28 2kuf h ARG 579 Ca 0.10 -0.16 -0.15 0.00 0.10 0.00 0.00 59.98 59.87 2kuf h ARG 579 Cb 0.43 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2kuf h ARG 579 CO 0.02 0.66 -0.46 0.00 0.10 0.00 0.00 179.97 180.29 2kuf h ALA 580 N 1.36 0.75 -0.00 0.08 0.00 -0.52 -2.96 119.26 117.96 2kuf h ALA 580 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kuf h ALA 580 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kuf h ALA 580 CO 0.04 0.67 -0.36 -0.11 0.00 0.00 0.00 179.25 179.48 2kuf n LEU 581 N -4.00 0.46 -2.42 0.00 7.94 0.59 -4.93 117.00 114.63 2kuf n LEU 581 Ca -0.02 0.07 -0.16 0.00 -1.11 0.00 0.00 56.01 54.78 2kuf n LEU 581 Cb 0.56 -0.28 0.04 0.00 0.53 0.00 0.00 43.42 44.27 2kuf n LEU 581 CO 0.46 0.11 0.08 0.61 -1.11 0.00 0.00 177.39 177.54 2kuf n GLY 582 N 1.47 -0.13 3.69 -3.96 0.00 0.10 -4.96 105.19 101.40 2kuf n GLY 582 Ca 0.07 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.10 3.54 -0.23 1.61 -0.00 0.75 -4.94 118.94 116.56 2kuf s TRP 583 Ca 0.31 1.57 0.22 0.00 -0.00 0.00 0.00 56.10 58.20 2kuf s TRP 583 Cb -0.14 -3.14 -0.19 0.00 -0.00 0.00 0.00 33.47 30.00 2kuf s TRP 583 CO 0.38 -0.17 0.73 0.25 -0.00 0.00 0.00 176.95 178.14 2kuf n THR 584 N 4.39 0.18 -0.03 5.86 -2.24 -1.26 -4.75 114.28 116.43 2kuf n THR 584 Ca 0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2kuf n THR 584 Cb 0.49 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.27 -0.14 3.26 3.38 0.00 -0.83 -5.07 105.19 107.06 2kuf n GLY 585 Ca -0.02 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 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 0.06 1.08 -0.32 1.61 -1.94 -1.26 -5.03 119.30 113.50 2kuf s MET 586 Ca 0.00 -1.30 -0.08 0.00 -1.71 0.00 0.00 55.69 52.60 2kuf s MET 586 Cb 0.00 -0.97 0.01 0.00 2.01 0.00 0.00 34.83 35.89 2kuf s MET 586 CO 0.00 0.18 0.12 -1.17 -0.01 0.00 0.00 175.02 174.15 2kuf s LEU 587 N -2.57 4.12 -0.41 -0.03 0.20 -1.26 -3.85 118.68 114.88 2kuf s LEU 587 Ca 0.11 -0.75 -0.16 0.00 0.69 0.00 0.00 54.13 54.02 2kuf s LEU 587 Cb -0.04 -1.94 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2kuf s LEU 587 CO 0.04 -0.24 0.36 -1.81 -0.29 0.00 0.00 176.35 174.40 2kuf s ASP 588 N 1.53 6.14 -0.02 3.68 1.01 -1.00 -5.02 116.67 123.00 2kuf s ASP 588 Ca 0.03 -0.80 -0.22 0.00 0.71 0.00 0.00 52.55 52.26 2kuf s ASP 588 Cb -0.18 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 2kuf s ASP 588 CO 0.04 -0.50 0.65 -1.59 0.21 0.00 0.00 175.17 173.98 2kuf s LYS 589 N 1.87 4.39 -0.13 8.23 0.00 -1.26 -1.80 119.74 131.04 2kuf s LYS 589 Ca 0.08 0.82 -0.13 0.00 0.00 0.00 0.00 55.97 56.74 2kuf s LYS 589 Cb -0.18 -3.38 -0.11 0.00 0.00 0.00 0.00 37.83 34.16 2kuf s LYS 589 CO 0.11 0.25 0.24 0.78 0.00 0.00 0.00 175.35 176.74 2kuf h GLY 590 N 6.05 0.00 -4.25 0.59 0.00 -1.39 -3.47 103.07 100.59 2kuf h GLY 590 Ca -0.43 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2kuf h GLY 590 CO 0.72 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 176.57 2kuf s ALA 591 N -2.45 0.30 -0.20 3.60 0.00 -1.26 -5.07 121.76 116.68 2kuf s ALA 591 Ca -0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2kuf s ALA 591 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2kuf s ALA 591 CO 0.32 -0.24 0.15 -0.51 0.00 0.00 0.00 175.76 175.48 2kuf s ASP 592 N -2.07 6.23 -0.14 0.00 1.11 -1.26 -3.22 116.67 117.33 2kuf s ASP 592 Ca -0.06 0.26 -0.06 0.00 0.18 0.00 0.00 52.55 52.87 2kuf s ASP 592 Cb -0.03 -2.10 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 2kuf s ASP 592 CO -0.05 0.17 0.07 -0.69 1.18 0.00 0.00 175.17 175.85 2kuf s VAL 593 N 0.40 4.87 -0.08 -1.27 1.01 0.59 -4.80 120.40 121.13 2kuf s VAL 593 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2kuf s VAL 593 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2kuf s VAL 593 CO -0.01 0.55 1.40 -0.62 0.00 0.00 0.00 175.10 176.42 2kuf s ASP 594 N -0.40 6.85 0.20 3.32 -1.08 -1.26 0.99 116.67 125.29 2kuf s ASP 594 Ca 0.10 1.97 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 2kuf s ASP 594 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2kuf s ASP 594 CO 0.02 -0.78 0.00 0.00 0.52 0.00 0.00 175.17 174.93 2kuf n ALA 595 N 6.30 3.00 0.00 3.66 0.00 -0.49 -4.80 120.51 128.18 2kuf n ALA 595 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kuf n ALA 595 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 1.66 2.14 0.33 0.00 0.00 0.16 -4.57 105.19 104.91 2kuf n GLY 596 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 0.79 2.00 -0.02 0.00 -1.94 -1.67 103.07 102.23 2kuf h GLY 597 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2kuf h GLY 597 CO 0.00 0.24 -0.26 0.23 0.00 0.00 0.00 176.54 176.75 2kuf h SER 598 N 0.70 0.00 0.02 0.19 0.87 -1.98 -1.50 113.55 111.84 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 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kuf h SER 598 CO -0.06 0.26 -0.02 0.00 -0.53 0.00 0.00 176.83 176.48 2kuf n GLN 599 N -3.42 1.46 -1.55 2.24 6.02 -0.64 -4.94 117.38 116.54 2kuf n GLN 599 Ca 0.00 -0.75 -0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2kuf n GLN 599 Cb 0.45 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.23 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kuf n HIS 600 N -0.12 -0.15 -1.97 1.08 8.25 -0.57 -4.92 115.22 116.83 2kuf n HIS 600 Ca 0.19 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 2kuf n HIS 600 Cb 0.31 -1.60 0.00 0.00 1.12 0.00 0.00 29.99 29.82 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 -0.27 4.21 -4.75 0.41 6.94 -1.20 -4.87 115.26 115.74 2kuf n ASN 601 Ca 0.00 -2.88 -0.27 0.00 -0.02 0.00 0.00 54.58 51.41 2kuf n ASN 601 Cb 0.01 -1.66 -0.07 0.00 -2.36 0.00 0.00 39.78 35.70 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kuf s ARG 602 N 3.06 2.18 0.19 -3.83 1.04 -1.26 -4.43 118.95 115.90 2kuf s ARG 602 Ca 0.47 -1.99 -0.33 0.00 -1.04 0.00 0.00 55.73 52.84 2kuf s ARG 602 Cb 0.11 -1.88 -0.13 0.00 -2.04 0.00 0.00 34.95 31.01 2kuf s ARG 602 CO -0.05 -0.21 1.59 0.28 -0.04 0.00 0.00 175.30 176.88 2kuf n VAL 603 N -1.27 0.16 -0.05 4.99 0.31 0.96 -0.47 118.33 122.96 2kuf n VAL 603 Ca -0.04 -0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.20 2kuf n VAL 603 Cb 0.65 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 2kuf n VAL 603 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2kuf n VAL 604 N 3.31 0.67 -3.67 2.52 0.24 -0.97 -2.79 118.33 117.63 2kuf n VAL 604 Ca 0.16 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 2kuf n VAL 604 Cb 0.31 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.24 -0.76 -0.07 6.34 5.04 -1.03 -4.91 117.35 119.73 2kuf s TYR 605 Ca -0.05 1.70 0.04 0.00 -2.44 0.00 0.00 57.07 56.32 2kuf s TYR 605 Cb 0.03 0.34 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 2kuf s TYR 605 CO 0.40 -0.38 -0.18 1.14 -1.34 0.00 0.00 175.55 175.19 2kuf s GLN 606 N 0.85 2.70 0.12 4.97 -2.07 -1.26 -0.80 119.66 124.17 2kuf s GLN 606 Ca -0.04 -0.77 -0.22 0.00 -1.82 0.00 0.00 55.36 52.51 2kuf s GLN 606 Cb -0.05 -2.36 -0.07 0.00 -1.09 0.00 0.00 33.01 29.45 2kuf s GLN 606 CO -0.07 0.45 1.70 -0.97 -1.32 0.00 0.00 175.29 175.08 2kuf h ASN 607 N 5.88 -0.23 -3.58 12.60 -1.24 -1.71 -3.34 115.58 123.97 2kuf h ASN 607 Ca -0.37 0.05 -0.63 0.00 0.71 0.00 0.00 56.30 56.06 2kuf h ASN 607 Cb 1.17 0.12 -0.13 0.00 0.73 0.00 0.00 38.32 40.21 2kuf h ASN 607 CO 0.50 -0.10 0.27 -2.16 -1.29 0.00 0.00 177.43 174.65 2kuf s PRO 608 N -6.18 3.54 0.79 6.67 0.04 -1.26 -5.06 135.00 133.54 2kuf s PRO 608 Ca -0.14 -0.00 -0.11 0.00 0.04 0.00 0.00 61.00 60.80 2kuf s PRO 608 Cb 0.09 -3.87 0.07 0.00 0.04 0.00 0.00 34.50 30.82 2kuf s PRO 608 CO 0.67 -0.94 1.09 -2.14 0.04 0.00 0.00 177.00 175.73 2kuf s PRO 609 N 3.02 2.10 0.21 0.56 0.02 -1.25 -4.92 135.00 134.74 2kuf s PRO 609 Ca 0.28 1.08 -0.32 0.00 0.02 0.00 0.00 61.00 62.06 2kuf s PRO 609 Cb -0.13 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.37 2kuf s PRO 609 CO 0.19 -1.73 1.47 0.00 -0.33 0.00 0.00 177.00 176.60 2kuf n ALA 610 N -3.57 1.18 -0.01 -1.55 0.00 -1.26 -1.88 120.51 113.42 2kuf n ALA 610 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2kuf n ALA 610 Cb 0.53 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 2.62 0.21 3.85 0.00 0.00 -0.47 -5.01 105.19 106.39 2kuf n GLY 611 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 612 N -2.02 4.69 -0.15 2.61 2.01 -0.79 -4.64 115.64 117.36 2kuf s THR 612 Ca 0.00 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 2kuf s THR 612 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 2kuf s THR 612 CO 0.00 -0.14 1.04 -0.83 -0.69 0.00 0.00 174.62 174.00 2kuf s GLY 613 N -2.23 2.08 -0.00 4.40 0.00 -1.26 -0.51 107.32 109.80 2kuf s GLY 613 Ca 0.53 0.33 0.06 0.00 0.00 0.00 0.00 44.72 45.63 2kuf s GLY 613 CO 0.18 2.06 -0.18 -1.34 0.00 0.00 0.00 173.10 173.81 2kuf s VAL 614 N 2.50 2.73 1.23 1.40 -7.23 0.40 -4.79 120.40 116.64 2kuf s VAL 614 Ca 0.48 -1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 59.45 2kuf s VAL 614 Cb -0.18 -2.08 0.26 0.00 0.56 0.00 0.00 36.38 34.94 2kuf s VAL 614 CO 0.14 0.47 0.58 -0.46 -0.31 0.00 0.00 175.10 175.53 2kuf n ASN 615 N 1.99 -3.03 0.28 4.85 6.94 -1.26 -0.27 115.26 124.77 2kuf n ASN 615 Ca -0.16 -0.46 0.12 0.00 -0.02 0.00 0.00 54.58 54.06 2kuf n ASN 615 Cb 0.52 -0.99 0.78 0.00 -2.36 0.00 0.00 39.78 37.73 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 -2.90 0.00 -0.00 -3.83 0.11 -1.45 0.30 114.38 106.61 2kuf h ARG 616 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kuf h ARG 616 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2kuf h ARG 616 CO 0.31 0.03 -0.10 -0.25 0.10 0.00 0.00 179.97 180.06 2kuf n ASP 617 N -4.06 0.16 -0.97 0.08 8.00 -1.26 -4.83 116.55 113.67 2kuf n ASP 617 Ca -0.03 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 2kuf n ASP 617 Cb 0.12 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 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 1.42 1.33 3.66 0.44 0.00 0.11 -1.97 105.19 110.17 2kuf n GLY 618 Ca 0.09 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.38 3.89 -0.04 -0.61 -1.16 -1.26 -4.87 121.20 114.77 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 -3.70 -0.00 0.00 0.61 0.00 0.00 42.46 39.37 2kuf s ILE 619 CO 0.00 -0.09 -0.16 0.27 -2.81 0.00 0.00 174.94 172.15 2kuf s ILE 620 N 3.77 1.34 -0.17 2.00 -4.36 -1.25 -4.81 121.20 117.72 2kuf s ILE 620 Ca 0.65 -0.67 -0.04 0.00 -0.26 0.00 0.00 60.65 60.34 2kuf s ILE 620 Cb -0.28 -1.15 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 2kuf s ILE 620 CO 0.23 0.39 -0.04 0.28 0.24 0.00 0.00 174.94 176.04 2kuf s THR 621 N 0.05 3.79 0.17 8.37 -1.32 -1.26 -2.37 115.64 123.08 2kuf s THR 621 Ca -0.03 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 60.05 2kuf s THR 621 Cb -0.11 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 2kuf s THR 621 CO 0.02 0.48 0.10 -1.48 -2.21 0.00 0.00 174.62 171.52 2kuf s LEU 622 N 0.56 1.42 -0.02 9.08 0.05 -0.75 -1.77 118.68 127.26 2kuf s LEU 622 Ca -0.03 -1.31 0.04 0.00 0.05 0.00 0.00 54.13 52.88 2kuf s LEU 622 Cb -0.14 0.33 -0.01 0.00 -2.05 0.00 0.00 46.19 44.32 2kuf s LEU 622 CO 0.03 -0.79 -0.16 0.00 -0.55 0.00 0.00 176.35 174.88 2kuf s ARG 623 N -4.11 1.42 0.25 1.48 1.70 0.02 -0.90 118.95 118.81 2kuf s ARG 623 Ca 0.33 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 55.07 2kuf s ARG 623 Cb 0.07 -1.31 -0.05 0.00 -0.57 0.00 0.00 34.95 33.08 2kuf s ARG 623 CO 0.08 0.29 -0.01 -0.59 -1.08 0.00 0.00 175.30 173.99 2kuf s PHE 624 N -0.19 1.68 0.30 5.89 -0.12 -1.20 -2.30 117.98 122.05 2kuf s PHE 624 Ca 0.02 -0.88 -0.29 0.00 -0.05 0.00 0.00 56.93 55.73 2kuf s PHE 624 Cb -0.08 -0.98 -0.10 0.00 -0.63 0.00 0.00 43.02 41.22 2kuf s PHE 624 CO 0.00 0.03 1.41 0.20 -0.05 0.00 0.00 175.22 176.82 2kuf s GLY 625 N -3.35 2.66 0.00 1.99 0.00 0.37 -0.30 107.32 108.69 2kuf s GLY 625 Ca 0.29 1.36 0.25 0.00 0.00 0.00 0.00 44.72 46.62 2kuf s GLY 625 CO 0.10 2.16 1.37 -0.18 0.00 0.00 0.00 173.10 176.55