#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 4.04 0.00 1.61 0.02 -1.26 -4.91 135.00 134.50 2kuf s PRO 492 Ca 0.00 2.16 0.28 0.00 0.02 0.00 0.00 61.00 63.46 2kuf s PRO 492 Cb 0.00 -2.81 1.00 0.00 0.02 0.00 0.00 34.50 32.71 2kuf s PRO 492 CO 0.00 -0.44 1.71 0.00 -0.33 0.00 0.00 177.00 177.95 2kuf n ALA 493 N 0.24 2.89 -2.94 -1.55 0.00 -1.26 -4.76 120.51 113.13 2kuf n ALA 493 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2kuf n ALA 493 Cb 0.43 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.42 0.05 -0.01 0.00 -4.23 -1.26 -0.48 115.64 107.28 2kuf s THR 494 Ca 0.28 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2kuf s THR 494 Cb 0.20 -0.15 0.01 0.00 1.34 0.00 0.00 72.50 73.90 2kuf s THR 494 CO 0.48 -0.22 0.00 -0.75 -0.54 0.00 0.00 174.62 173.59 2kuf s LYS 495 N -0.66 0.11 0.08 3.99 2.47 0.95 -4.80 119.74 121.87 2kuf s LYS 495 Ca -0.07 0.04 -0.28 0.00 -1.56 0.00 0.00 55.97 54.09 2kuf s LYS 495 Cb -0.05 -0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.06 2kuf s LYS 495 CO -0.00 -0.05 0.90 0.16 0.16 0.00 0.00 175.35 176.51 2kuf s ASP 496 N 0.45 7.39 -0.08 1.43 -4.77 -1.26 -0.89 116.67 118.95 2kuf s ASP 496 Ca -0.04 1.66 -0.20 0.00 -3.30 0.00 0.00 52.55 50.67 2kuf s ASP 496 Cb -0.06 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 2kuf s ASP 496 CO -0.01 -0.06 0.57 0.27 0.70 0.00 0.00 175.17 176.63 2kuf s ILE 497 N 0.11 5.09 0.48 2.11 -4.36 -0.78 -4.90 121.20 118.94 2kuf s ILE 497 Ca 0.45 1.16 -0.08 0.00 -0.26 0.00 0.00 60.65 61.92 2kuf s ILE 497 Cb -0.22 -3.91 0.11 0.00 1.25 0.00 0.00 42.46 39.70 2kuf s ILE 497 CO 0.27 0.33 0.56 -2.65 0.24 0.00 0.00 174.94 173.69 2kuf n PRO 498 N 3.47 -1.06 -2.89 0.37 -0.02 -1.26 0.32 135.00 133.93 2kuf n PRO 498 Ca -0.05 -0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 60.13 2kuf n PRO 498 Cb 0.51 -0.66 -0.04 0.00 -0.02 0.00 0.00 33.50 33.29 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2kuf s ASP 499 N -3.06 6.72 -0.67 2.55 1.47 -1.26 -4.67 116.67 117.75 2kuf s ASP 499 Ca 0.33 0.75 0.05 0.00 1.18 0.00 0.00 52.55 54.86 2kuf s ASP 499 Cb -0.02 -2.43 0.29 0.00 -0.34 0.00 0.00 42.92 40.42 2kuf s ASP 499 CO 0.24 -0.66 0.92 1.33 0.68 0.00 0.00 175.17 177.68 2kuf n VAL 500 N 5.58 3.01 -3.84 2.11 0.24 -1.26 -4.94 118.33 119.22 2kuf n VAL 500 Ca 0.05 -5.44 -0.29 0.00 -2.04 0.00 0.00 64.34 56.62 2kuf n VAL 500 Cb 0.48 -1.84 -0.16 0.00 -1.47 0.00 0.00 33.84 30.84 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 -2.92 1.53 0.00 2.33 0.00 -1.26 -3.73 121.76 117.71 2kuf s ALA 501 Ca 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kuf s ALA 501 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2kuf s ALA 501 CO -0.05 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2kuf n GLY 502 N 4.84 1.10 1.53 0.00 0.00 -0.86 -4.99 105.19 106.81 2kuf n GLY 502 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 1.09 -2.02 1.61 0.00 -1.26 -4.90 117.38 111.90 2kuf n GLN 503 Ca 0.00 -1.35 -0.32 0.00 0.00 0.00 0.00 57.00 55.33 2kuf n GLN 503 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 30.24 30.34 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 -0.93 4.06 0.17 -0.39 2.01 -1.26 -1.28 115.64 118.02 2kuf s THR 504 Ca 0.15 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 62.90 2kuf s THR 504 Cb -0.01 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.05 2kuf s THR 504 CO 0.10 -0.65 1.78 1.62 -0.69 0.00 0.00 174.62 176.77 2kuf h VAL 505 N 0.27 0.95 -0.58 3.82 3.04 -0.70 0.30 116.25 123.36 2kuf h VAL 505 Ca -0.46 -0.14 -0.06 0.00 -1.01 0.00 0.00 66.70 65.03 2kuf h VAL 505 Cb 1.21 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2kuf h VAL 505 CO 0.58 0.07 0.12 -0.78 -1.01 0.00 0.00 177.57 176.55 2kuf h ASP 506 N 0.41 0.87 -0.38 3.17 3.58 -1.93 0.11 116.42 122.25 2kuf h ASP 506 Ca 0.19 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 2kuf h ASP 506 Cb 0.11 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2kuf h ASP 506 CO -0.14 0.86 -0.15 0.58 -2.88 0.00 0.00 179.24 177.51 2kuf h VAL 507 N 0.88 1.28 -0.40 2.25 2.07 -1.78 0.28 116.25 120.83 2kuf h VAL 507 Ca 0.18 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2kuf h VAL 507 Cb 0.35 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2kuf h VAL 507 CO 0.00 0.42 0.19 0.00 0.02 0.00 0.00 177.57 178.21 2kuf h ALA 508 N 0.81 0.52 -0.29 1.67 0.00 0.13 0.14 119.26 122.23 2kuf h ALA 508 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kuf h ALA 508 CO 0.05 0.08 0.06 1.96 0.00 0.00 0.00 179.25 181.39 2kuf h GLN 509 N 0.51 0.48 -0.49 0.00 4.20 -0.57 0.20 115.11 119.44 2kuf h GLN 509 Ca 0.14 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2kuf h GLN 509 Cb 0.12 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2kuf h GLN 509 CO -0.02 0.57 -0.14 1.57 -0.67 0.00 0.00 178.83 180.14 2kuf h LYS 510 N 0.31 0.93 -0.35 1.46 5.09 -0.86 -0.08 116.57 123.07 2kuf h LYS 510 Ca 0.09 -0.35 -0.02 0.00 0.09 0.00 0.00 60.65 60.46 2kuf h LYS 510 Cb 0.31 -0.06 -0.02 0.00 0.10 0.00 0.00 32.23 32.57 2kuf h LYS 510 CO 0.00 1.01 0.14 -0.91 -2.09 0.00 0.00 179.45 177.60 2kuf h ASN 511 N 0.83 0.49 -0.68 7.07 2.35 -0.44 -1.54 115.58 123.66 2kuf h ASN 511 Ca 0.13 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2kuf h ASN 511 Cb 0.69 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 2kuf h ASN 511 CO 0.05 0.52 0.34 0.25 -1.65 0.00 0.00 177.43 176.94 2kuf h LEU 512 N 0.43 0.88 -1.51 1.61 7.12 -0.45 -2.25 115.31 121.13 2kuf h LEU 512 Ca 0.12 -0.12 0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kuf h LEU 512 Cb 0.18 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.06 2kuf h LEU 512 CO -0.01 0.75 0.34 -1.13 -0.13 0.00 0.00 178.44 178.27 2kuf h ASN 513 N 0.94 0.57 -0.57 1.25 -0.73 -0.54 0.30 115.58 116.81 2kuf h ASN 513 Ca 0.24 -0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.45 2kuf h ASN 513 Cb 0.10 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2kuf h ASN 513 CO -0.03 0.41 0.38 0.58 -0.37 0.00 0.00 177.43 178.39 2kuf h VAL 514 N 0.67 1.00 -0.01 2.57 2.07 -0.66 0.34 116.25 122.22 2kuf h VAL 514 Ca 0.19 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2kuf h VAL 514 Cb -0.03 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2kuf h VAL 514 CO -0.04 0.10 -0.50 -1.22 0.02 0.00 0.00 177.57 175.92 2kuf n TYR 515 N -4.47 0.00 0.00 1.57 4.02 -0.61 -4.74 117.16 112.93 2kuf n TYR 515 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.96 2kuf n TYR 515 Cb 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.55 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kuf n GLY 516 N 1.27 -0.09 2.31 2.72 0.00 0.95 -4.98 105.19 107.38 2kuf n GLY 516 Ca 0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.93 -0.79 -2.19 1.61 3.72 0.11 -4.97 117.46 112.03 2kuf n PHE 517 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2kuf n PHE 517 Cb 0.05 -3.35 0.08 0.00 -0.94 0.00 0.00 39.48 35.31 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 -4.02 0.00 -4.35 4.37 -2.24 -1.26 -4.91 114.28 101.88 2kuf n THR 518 Ca -0.20 -0.77 -0.33 0.00 -2.27 0.00 0.00 64.05 60.48 2kuf n THR 518 Cb 0.65 -1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 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 -4.08 2.79 0.12 -0.78 3.01 -1.00 -4.96 119.74 114.84 2kuf s LYS 519 Ca 0.38 -0.58 0.04 0.00 -1.01 0.00 0.00 55.97 54.80 2kuf s LYS 519 Cb -0.02 -2.67 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 2kuf s LYS 519 CO 0.26 0.64 -0.10 -0.59 0.51 0.00 0.00 175.35 176.06 2kuf s PHE 520 N -1.02 1.15 0.02 3.18 -0.12 -1.26 -0.31 117.98 119.62 2kuf s PHE 520 Ca 0.18 -0.70 -0.01 0.00 -0.05 0.00 0.00 56.93 56.35 2kuf s PHE 520 Cb -0.11 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 2kuf s PHE 520 CO 0.08 0.03 -0.01 -1.12 -0.05 0.00 0.00 175.22 174.14 2kuf s SER 521 N -2.73 0.22 -0.03 1.98 0.01 0.04 -4.85 113.70 108.35 2kuf s SER 521 Ca 0.10 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.94 2kuf s SER 521 Cb -0.01 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 2kuf s SER 521 CO 0.00 -0.31 -0.21 0.00 0.41 0.00 0.00 173.24 173.13 2kuf s GLN 522 N -1.49 1.84 0.01 12.44 -2.07 -1.26 -0.21 119.66 128.92 2kuf s GLN 522 Ca -0.16 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 52.66 2kuf s GLN 522 Cb -0.10 -1.70 -0.01 0.00 -1.09 0.00 0.00 33.01 30.12 2kuf s GLN 522 CO -0.01 0.39 -0.06 0.00 -1.32 0.00 0.00 175.29 174.30 2kuf s ALA 523 N -0.32 0.44 -0.12 2.60 0.00 -0.44 -4.95 121.76 118.97 2kuf s ALA 523 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 2kuf s ALA 523 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2kuf s ALA 523 CO 0.01 0.06 0.25 -1.12 0.00 0.00 0.00 175.76 174.95 2kuf s SER 524 N -0.58 6.47 0.14 0.00 0.01 -1.26 -0.05 113.70 118.42 2kuf s SER 524 Ca -0.02 0.56 0.08 0.00 1.31 0.00 0.00 55.95 57.88 2kuf s SER 524 Cb -0.04 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2kuf s SER 524 CO -0.00 0.25 -0.19 0.68 0.41 0.00 0.00 173.24 174.39 2kuf s VAL 525 N -0.32 1.73 -0.04 3.43 -7.23 0.54 -4.92 120.40 113.59 2kuf s VAL 525 Ca 0.17 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 2kuf s VAL 525 Cb -0.13 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 2kuf s VAL 525 CO 0.05 -0.22 0.52 1.51 -0.31 0.00 0.00 175.10 176.66 2kuf s ASP 526 N -2.33 6.85 0.14 4.85 -4.77 -1.26 -0.16 116.67 119.98 2kuf s ASP 526 Ca 0.11 1.01 -0.24 0.00 -3.30 0.00 0.00 52.55 50.13 2kuf s ASP 526 Cb -0.07 -2.32 0.07 0.00 -1.09 0.00 0.00 42.92 39.50 2kuf s ASP 526 CO 0.05 0.10 0.72 -0.44 0.70 0.00 0.00 175.17 176.30 2kuf s SER 527 N -0.03 -0.43 0.00 2.11 0.01 -0.87 -4.88 113.70 109.61 2kuf s SER 527 Ca 0.28 -0.15 0.13 0.00 1.31 0.00 0.00 55.95 57.52 2kuf s SER 527 Cb -0.17 0.56 0.68 0.00 0.21 0.00 0.00 66.02 67.31 2kuf s SER 527 CO 0.14 -0.95 1.28 -2.65 0.41 0.00 0.00 173.24 171.47 2kuf n PRO 528 N -0.37 0.25 -2.71 12.44 -0.02 -1.26 -3.90 135.00 139.42 2kuf n PRO 528 Ca -0.12 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2kuf n PRO 528 Cb 0.63 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.56 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kuf s ARG 529 N -2.39 4.74 0.59 -0.52 1.81 -1.26 -4.90 118.95 117.02 2kuf s ARG 529 Ca 0.14 1.50 -0.20 0.00 -1.72 0.00 0.00 55.73 55.45 2kuf s ARG 529 Cb 0.09 -3.33 -0.03 0.00 -0.45 0.00 0.00 34.95 31.22 2kuf s ARG 529 CO 0.18 0.30 1.30 -0.35 -0.68 0.00 0.00 175.30 176.05 2kuf n PRO 530 N 2.28 1.39 -1.63 3.54 -0.04 -1.26 -2.65 135.00 136.63 2kuf n PRO 530 Ca 0.01 0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 2kuf n PRO 530 Cb 0.48 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuf s ALA 531 N -1.34 2.52 0.00 0.55 0.00 -1.19 -1.19 121.76 121.11 2kuf s ALA 531 Ca 0.76 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2kuf s ALA 531 Cb -0.40 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2kuf s ALA 531 CO 0.45 -3.11 0.00 0.41 0.00 0.00 0.00 175.76 173.52 2kuf n GLY 532 N 5.79 1.46 3.74 0.00 0.00 -0.68 -4.89 105.19 110.61 2kuf n GLY 532 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 4.74 -0.24 1.61 2.12 -0.34 0.03 118.70 126.63 2kuf s GLU 533 Ca 0.00 1.42 -0.19 0.00 0.36 0.00 0.00 54.97 56.56 2kuf s GLU 533 Cb 0.00 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2kuf s GLU 533 CO 0.00 0.37 0.55 0.54 -0.54 0.00 0.00 175.26 176.18 2kuf s VAL 534 N -0.57 5.06 -0.61 3.70 0.11 -0.40 -0.55 120.40 127.14 2kuf s VAL 534 Ca 0.43 0.97 0.25 0.00 -2.93 0.00 0.00 61.98 60.70 2kuf s VAL 534 Cb -0.24 -3.86 0.31 0.00 -1.53 0.00 0.00 36.38 31.05 2kuf s VAL 534 CO 0.30 0.10 1.72 0.71 -3.33 0.00 0.00 175.10 174.61 2kuf h THR 535 N 5.31 0.00 0.00 5.04 1.35 -1.56 -2.30 112.91 120.75 2kuf h THR 535 Ca -0.30 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2kuf h THR 535 Cb 1.14 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2kuf h THR 535 CO 0.74 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2kuf n GLY 536 N 1.17 0.47 3.55 5.82 0.00 -1.24 -4.71 105.19 110.25 2kuf n GLY 536 Ca 0.05 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.81 2.96 0.06 2.61 -4.23 -1.26 -0.36 115.64 112.61 2kuf s THR 537 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2kuf s THR 537 Cb 0.00 -2.53 -0.15 0.00 1.34 0.00 0.00 72.50 71.17 2kuf s THR 537 CO 0.00 -0.27 1.59 -1.13 -0.54 0.00 0.00 174.62 174.26 2kuf h ASN 538 N 2.45 0.07 -3.55 3.99 -0.73 -1.85 -3.40 115.58 112.55 2kuf h ASN 538 Ca -0.44 -0.17 -0.52 0.00 1.87 0.00 0.00 56.30 57.04 2kuf h ASN 538 Cb 1.23 -0.02 0.03 0.00 0.27 0.00 0.00 38.32 39.83 2kuf h ASN 538 CO 0.57 0.22 0.58 -2.84 -0.37 0.00 0.00 177.43 175.59 2kuf s PRO 539 N -5.52 4.47 0.81 6.67 0.02 -1.26 -5.01 135.00 135.18 2kuf s PRO 539 Ca -0.14 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 2kuf s PRO 539 Cb 0.05 -3.20 0.08 0.00 0.02 0.00 0.00 34.50 31.45 2kuf s PRO 539 CO 0.68 -0.10 1.12 -1.25 -0.33 0.00 0.00 177.00 177.11 2kuf s PRO 540 N -0.55 1.85 0.34 5.54 0.04 -1.26 -4.95 135.00 136.01 2kuf s PRO 540 Ca 0.52 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2kuf s PRO 540 Cb -0.34 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 2kuf s PRO 540 CO 0.39 -1.98 1.40 0.00 0.04 0.00 0.00 177.00 176.86 2kuf s ALA 541 N -2.73 3.55 0.00 8.56 0.00 -1.26 -2.38 121.76 127.50 2kuf s ALA 541 Ca 0.64 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2kuf s ALA 541 Cb -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kuf s ALA 541 CO 0.55 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2kuf n GLY 542 N 0.89 3.34 3.71 0.00 0.00 0.15 -5.00 105.19 108.28 2kuf n GLY 542 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.93 4.04 -0.09 2.61 2.01 -1.00 -4.62 115.64 115.66 2kuf s THR 543 Ca 0.00 1.45 -0.27 0.00 0.31 0.00 0.00 61.69 63.18 2kuf s THR 543 Cb 0.00 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2kuf s THR 543 CO 0.00 0.09 0.88 0.28 -0.69 0.00 0.00 174.62 175.19 2kuf s THR 544 N 1.30 4.89 0.18 -0.82 -1.32 -1.26 -1.86 115.64 116.74 2kuf s THR 544 Ca 0.59 1.80 0.09 0.00 -1.21 0.00 0.00 61.69 62.96 2kuf s THR 544 Cb -0.29 -4.21 -0.04 0.00 -1.51 0.00 0.00 72.50 66.45 2kuf s THR 544 CO 0.28 0.09 -0.19 0.68 -2.21 0.00 0.00 174.62 173.27 2kuf s VAL 545 N 1.60 1.96 0.33 5.08 -7.23 -0.06 -4.86 120.40 117.21 2kuf s VAL 545 Ca 0.44 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2kuf s VAL 545 Cb -0.18 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.71 2kuf s VAL 545 CO 0.18 -0.29 1.50 -2.84 -0.31 0.00 0.00 175.10 173.34 2kuf s PRO 546 N -2.85 4.16 0.62 4.82 0.02 -1.26 -0.03 135.00 140.47 2kuf s PRO 546 Ca 0.18 2.51 0.40 0.00 0.02 0.00 0.00 61.00 64.10 2kuf s PRO 546 Cb -0.06 -3.01 1.98 0.00 0.02 0.00 0.00 34.50 33.42 2kuf s PRO 546 CO 0.08 -0.52 2.21 -0.24 -0.33 0.00 0.00 177.00 178.19 2kuf h VAL 547 N 3.20 0.03 0.00 3.83 3.04 -1.08 -1.74 116.25 123.53 2kuf h VAL 547 Ca -0.49 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2kuf h VAL 547 Cb 1.23 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2kuf h VAL 547 CO 0.71 0.00 -0.70 -0.78 -1.01 0.00 0.00 177.57 175.80 2kuf h ASP 548 N 0.00 0.00 -2.67 3.17 3.58 -1.90 -3.36 116.42 115.24 2kuf h ASP 548 Ca -0.00 -0.07 -0.46 0.00 0.42 0.00 0.00 57.03 56.92 2kuf h ASP 548 Cb 0.22 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.35 2kuf h ASP 548 CO 0.00 0.04 0.13 -0.94 -2.88 0.00 0.00 179.24 175.59 2kuf s SER 549 N -5.06 4.47 -0.08 2.28 1.04 -0.65 -4.67 113.70 111.02 2kuf s SER 549 Ca 0.03 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 2kuf s SER 549 Cb 0.10 -0.38 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 2kuf s SER 549 CO 0.74 -1.77 0.26 0.54 0.98 0.00 0.00 173.24 173.99 2kuf s VAL 550 N -3.16 5.29 -0.06 5.02 0.11 -1.25 -2.37 120.40 123.98 2kuf s VAL 550 Ca 0.64 0.50 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 2kuf s VAL 550 Cb -0.07 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 2kuf s VAL 550 CO 0.44 0.57 -0.15 -0.63 -3.33 0.00 0.00 175.10 172.01 2kuf s ILE 551 N -0.84 2.99 -0.19 7.04 1.01 0.58 -4.95 121.20 126.84 2kuf s ILE 551 Ca 0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 2kuf s ILE 551 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2kuf s ILE 551 CO 0.08 0.58 0.07 -1.83 0.00 0.00 0.00 174.94 173.84 2kuf s GLU 552 N -0.51 3.97 -0.26 2.79 1.03 -1.26 -0.78 118.70 123.68 2kuf s GLU 552 Ca 0.07 -0.34 -0.10 0.00 0.03 0.00 0.00 54.97 54.62 2kuf s GLU 552 Cb -0.12 -3.26 -0.05 0.00 -0.80 0.00 0.00 34.13 29.90 2kuf s GLU 552 CO 0.02 0.22 0.16 -0.51 -1.33 0.00 0.00 175.26 173.82 2kuf s LEU 553 N 0.53 3.98 -0.39 1.83 2.01 0.70 -2.31 118.68 125.03 2kuf s LEU 553 Ca 0.04 0.01 -0.23 0.00 0.01 0.00 0.00 54.13 53.96 2kuf s LEU 553 Cb -0.13 -2.09 0.01 0.00 0.01 0.00 0.00 46.19 44.00 2kuf s LEU 553 CO 0.01 -0.00 0.76 -1.10 1.01 0.00 0.00 176.35 177.03 2kuf s GLN 554 N 1.46 3.64 -0.22 1.70 1.11 0.51 -1.33 119.66 126.53 2kuf s GLN 554 Ca 0.07 0.15 -0.17 0.00 0.01 0.00 0.00 55.36 55.42 2kuf s GLN 554 Cb -0.15 -3.85 -0.03 0.00 -1.01 0.00 0.00 33.01 27.97 2kuf s GLN 554 CO 0.08 -0.91 0.47 0.08 0.01 0.00 0.00 175.29 175.02 2kuf s VAL 555 N 3.09 5.13 0.02 1.09 1.01 0.92 -1.58 120.40 130.09 2kuf s VAL 555 Ca 0.30 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 2kuf s VAL 555 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2kuf s VAL 555 CO 0.18 0.17 0.89 -0.55 0.00 0.00 0.00 175.10 175.80 2kuf s SER 556 N 1.28 7.31 -0.00 3.32 0.15 0.29 -0.34 113.70 125.71 2kuf s SER 556 Ca 0.21 1.58 -0.11 0.00 0.70 0.00 0.00 55.95 58.32 2kuf s SER 556 Cb -0.15 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 2kuf s SER 556 CO 0.09 -0.14 0.34 -1.59 1.20 0.00 0.00 173.24 173.14 2kuf s LYS 557 N 0.54 3.76 0.61 5.44 -2.85 0.77 -1.69 119.74 126.32 2kuf s LYS 557 Ca 0.46 0.22 0.31 0.00 -1.00 0.00 0.00 55.97 55.95 2kuf s LYS 557 Cb -0.21 -3.15 1.73 0.00 -2.06 0.00 0.00 37.83 34.14 2kuf s LYS 557 CO 0.26 0.68 2.08 0.78 0.10 0.00 0.00 175.35 179.24 2kuf h GLY 558 N 4.47 0.00 -0.71 0.59 0.00 -1.65 -2.32 103.07 103.46 2kuf h GLY 558 Ca -0.52 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.56 2kuf h GLY 558 CO 0.62 0.00 -0.24 -2.01 0.00 0.00 0.00 176.54 174.91 2kuf n ASN 559 N -3.54 -4.44 -4.09 0.19 5.15 -1.25 -4.42 115.26 102.86 2kuf n ASN 559 Ca 0.01 0.28 -0.09 0.00 -0.60 0.00 0.00 54.58 54.17 2kuf n ASN 559 Cb 0.34 -3.10 -0.09 0.00 -0.53 0.00 0.00 39.78 36.40 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 -3.21 0.93 0.02 1.20 -0.21 -1.26 -0.56 119.66 116.58 2kuf s GLN 560 Ca 0.00 -1.34 -0.05 0.00 0.02 0.00 0.00 55.36 53.99 2kuf s GLN 560 Cb 0.00 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 2kuf s GLN 560 CO 0.00 -0.28 0.08 -0.59 -2.12 0.00 0.00 175.29 172.39 2kuf s PHE 561 N -4.01 0.15 0.15 0.91 -0.71 0.80 -4.88 117.98 110.38 2kuf s PHE 561 Ca 0.20 -0.36 -0.31 0.00 -1.04 0.00 0.00 56.93 55.43 2kuf s PHE 561 Cb 0.07 -0.12 -0.08 0.00 -1.21 0.00 0.00 43.02 41.68 2kuf s PHE 561 CO -0.00 -0.29 1.31 0.54 -1.34 0.00 0.00 175.22 175.43 2kuf s VAL 562 N -1.83 3.41 -0.45 -2.49 0.11 -1.26 -0.03 120.40 117.86 2kuf s VAL 562 Ca -0.12 1.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.80 2kuf s VAL 562 Cb -0.06 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2kuf s VAL 562 CO -0.01 0.12 0.68 -0.32 -3.33 0.00 0.00 175.10 172.24 2kuf s MET 563 N 0.49 3.29 0.84 1.54 1.75 -0.25 -4.88 119.30 122.07 2kuf s MET 563 Ca 0.59 -0.36 -0.10 0.00 -1.25 0.00 0.00 55.69 54.57 2kuf s MET 563 Cb -0.35 -3.96 0.10 0.00 2.84 0.00 0.00 34.83 33.45 2kuf s MET 563 CO 0.34 -1.06 1.11 -2.14 -0.65 0.00 0.00 175.02 172.62 2kuf s PRO 564 N 2.94 1.67 -0.27 4.11 0.02 -1.26 -0.23 135.00 141.98 2kuf s PRO 564 Ca 0.24 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 2kuf s PRO 564 Cb -0.14 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2kuf s PRO 564 CO 0.19 -2.10 1.40 0.34 -0.33 0.00 0.00 177.00 176.50 2kuf s ASP 565 N -3.08 6.58 -0.03 2.53 2.15 -1.26 -4.67 116.67 118.89 2kuf s ASP 565 Ca 0.64 1.35 0.04 0.00 0.43 0.00 0.00 52.55 55.01 2kuf s ASP 565 Cb -0.20 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.95 2kuf s ASP 565 CO 0.57 -1.13 0.99 0.00 -0.17 0.00 0.00 175.17 175.43 2kuf n LEU 566 N 7.88 0.54 -4.74 -1.34 -0.00 -1.26 -5.08 117.00 113.00 2kuf n LEU 566 Ca 0.16 -1.39 -0.41 0.00 -0.00 0.00 0.00 56.01 54.37 2kuf n LEU 566 Cb 0.46 -0.09 -0.04 0.00 -0.00 0.00 0.00 43.42 43.75 2kuf n LEU 566 CO 0.63 0.33 0.82 -0.55 -0.00 0.00 0.00 177.39 178.62 2kuf s SER 567 N -1.32 7.22 0.00 1.45 0.15 -1.26 -4.37 113.70 115.57 2kuf s SER 567 Ca 0.07 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.90 2kuf s SER 567 Cb 0.06 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2kuf s SER 567 CO 0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2kuf n GLY 568 N 1.82 0.84 3.30 9.45 0.00 -1.26 -5.09 105.19 114.25 2kuf n GLY 568 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.28 1.46 0.55 1.61 0.23 -1.26 -4.87 119.30 117.29 2kuf s MET 569 Ca 0.00 -1.70 0.07 0.00 -1.03 0.00 0.00 55.69 53.03 2kuf s MET 569 Cb 0.00 0.33 0.07 0.00 -1.53 0.00 0.00 34.83 33.69 2kuf s MET 569 CO 0.00 -0.53 0.76 -0.06 -2.03 0.00 0.00 175.02 173.16 2kuf s PHE 570 N -3.84 1.89 0.34 3.16 0.40 -1.26 -0.76 117.98 117.92 2kuf s PHE 570 Ca 0.37 -0.54 0.12 0.00 -0.60 0.00 0.00 56.93 56.28 2kuf s PHE 570 Cb 0.04 -2.38 0.63 0.00 0.51 0.00 0.00 43.02 41.81 2kuf s PHE 570 CO 0.17 -1.01 1.77 2.35 0.70 0.00 0.00 175.22 179.20 2kuf h TRP 571 N 0.21 0.00 0.00 0.36 2.91 -1.97 -0.23 115.95 117.23 2kuf h TRP 571 Ca -0.34 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.68 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 0.34 0.44 0.00 -0.24 -1.03 0.00 0.00 178.44 177.95 2kuf h VAL 572 N 0.00 0.00 0.02 2.65 3.04 -1.94 0.27 116.25 120.29 2kuf h VAL 572 Ca -0.00 -0.26 -0.38 0.00 -1.01 0.00 0.00 66.70 65.04 2kuf h VAL 572 Cb 0.78 1.03 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 2kuf h VAL 572 CO 0.06 0.00 -2.22 0.47 -1.01 0.00 0.00 177.57 174.87 2kuf n ASP 573 N -2.40 1.98 -0.11 3.17 9.92 -0.76 -4.46 116.55 123.89 2kuf n ASP 573 Ca 0.02 0.17 -0.09 0.00 -0.53 0.00 0.00 54.79 54.35 2kuf n ASP 573 Cb 0.23 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 39.98 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kuf h ALA 574 N -0.37 0.44 0.05 2.24 0.00 -0.59 -2.21 119.26 118.81 2kuf h ALA 574 Ca -0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kuf h ALA 574 Cb 1.74 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kuf h ALA 574 CO -0.18 0.03 -0.02 1.49 0.00 0.00 0.00 179.25 180.57 2kuf h GLU 575 N 0.40 -0.06 -0.09 0.00 4.81 -1.21 -0.99 114.58 117.44 2kuf h GLU 575 Ca 0.11 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2kuf h GLU 575 Cb 0.17 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2kuf h GLU 575 CO -0.01 -0.02 0.08 -1.35 -0.73 0.00 0.00 179.01 176.98 2kuf h PRO 576 N -0.08 0.00 -0.70 0.92 0.11 -1.77 -2.10 132.00 128.38 2kuf h PRO 576 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 2kuf h PRO 576 Cb 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2kuf h PRO 576 CO 0.01 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 178.08 2kuf h ARG 577 N 0.00 1.03 -0.08 1.05 2.47 -0.54 0.13 114.38 118.44 2kuf h ARG 577 Ca 0.04 -0.17 0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2kuf h ARG 577 Cb 0.20 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2kuf h ARG 577 CO -0.00 0.84 0.02 -0.07 0.56 0.00 0.00 179.97 181.32 2kuf h LEU 578 N 1.01 0.03 -0.43 3.04 4.07 -0.84 0.20 115.31 122.39 2kuf h LEU 578 Ca 0.24 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 2kuf h LEU 578 Cb 0.19 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2kuf h LEU 578 CO -0.02 0.03 -0.10 0.08 -1.08 0.00 0.00 178.44 177.35 2kuf h ARG 579 N 0.06 0.83 -0.29 1.13 0.11 -1.59 0.15 114.38 114.78 2kuf h ARG 579 Ca 0.03 -0.31 -0.18 0.00 0.10 0.00 0.00 59.98 59.62 2kuf h ARG 579 Cb 0.02 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.05 2kuf h ARG 579 CO -0.04 0.94 -0.53 0.00 0.10 0.00 0.00 179.97 180.44 2kuf h ALA 580 N 0.86 0.49 -0.00 0.08 0.00 -0.53 -3.17 119.26 116.99 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 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kuf h ALA 580 CO 0.04 0.68 -0.14 -0.11 0.00 0.00 0.00 179.25 179.72 2kuf n LEU 581 N -4.01 0.17 -2.14 0.00 7.94 0.69 -4.91 117.00 114.74 2kuf n LEU 581 Ca -0.04 0.32 -0.12 0.00 -1.11 0.00 0.00 56.01 55.06 2kuf n LEU 581 Cb 0.62 -0.40 0.04 0.00 0.53 0.00 0.00 43.42 44.21 2kuf n LEU 581 CO 0.50 0.04 0.13 0.61 -1.11 0.00 0.00 177.39 177.56 2kuf n GLY 582 N 1.47 0.15 3.69 -3.96 0.00 -0.68 -4.99 105.19 100.88 2kuf n GLY 582 Ca 0.07 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.17 3.47 -0.03 1.61 -0.00 0.44 -4.95 118.94 116.31 2kuf s TRP 583 Ca 0.29 1.11 0.12 0.00 -0.00 0.00 0.00 56.10 57.62 2kuf s TRP 583 Cb -0.13 -2.82 -0.18 0.00 -0.00 0.00 0.00 33.47 30.34 2kuf s TRP 583 CO 0.38 -0.06 0.91 1.79 -0.00 0.00 0.00 176.95 179.97 2kuf h THR 584 N 4.99 1.00 -2.78 5.86 1.35 -1.85 -3.42 112.91 118.05 2kuf h THR 584 Ca -0.35 -2.71 -0.23 0.00 -0.55 0.00 0.00 66.41 62.57 2kuf h THR 584 Cb 1.16 2.45 0.10 0.00 -1.73 0.00 0.00 68.15 70.14 2kuf h THR 584 CO 0.78 0.57 0.15 0.61 -0.25 0.00 0.00 175.52 177.37 2kuf n GLY 585 N 1.45 -2.01 3.37 5.82 0.00 -0.24 -5.06 105.19 108.51 2kuf n GLY 585 Ca -0.10 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 2kuf n GLY 585 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kuf s MET 586 N -4.51 1.37 -0.29 1.61 -1.94 -1.26 -4.98 119.30 109.30 2kuf s MET 586 Ca 0.41 -1.46 -0.17 0.00 -1.71 0.00 0.00 55.69 52.76 2kuf s MET 586 Cb -0.03 -1.50 -0.02 0.00 2.01 0.00 0.00 34.83 35.29 2kuf s MET 586 CO 0.30 0.31 0.46 -1.17 -0.01 0.00 0.00 175.02 174.91 2kuf s LEU 587 N -2.72 4.14 -0.17 -0.03 2.96 -1.26 -4.37 118.68 117.23 2kuf s LEU 587 Ca 0.18 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2kuf s LEU 587 Cb -0.06 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2kuf s LEU 587 CO 0.08 -0.30 -0.17 -1.81 -1.32 0.00 0.00 176.35 172.83 2kuf s ASP 588 N 1.64 3.39 -0.07 3.68 1.01 -1.25 -5.08 116.67 119.99 2kuf s ASP 588 Ca 0.18 -0.57 -0.23 0.00 0.71 0.00 0.00 52.55 52.64 2kuf s ASP 588 Cb -0.16 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.21 2kuf s ASP 588 CO 0.11 0.03 0.67 -1.59 0.21 0.00 0.00 175.17 174.59 2kuf s LYS 589 N 1.12 4.42 0.05 8.23 0.00 -1.26 -2.52 119.74 129.78 2kuf s LYS 589 Ca 0.01 0.82 -0.03 0.00 0.00 0.00 0.00 55.97 56.76 2kuf s LYS 589 Cb -0.14 -3.44 -0.28 0.00 0.00 0.00 0.00 37.83 33.96 2kuf s LYS 589 CO -0.07 0.08 1.03 0.78 0.00 0.00 0.00 175.35 177.17 2kuf h GLY 590 N 6.75 0.29 -5.08 0.59 0.00 -0.97 -3.47 103.07 101.18 2kuf h GLY 590 Ca -0.41 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 45.99 2kuf h GLY 590 CO 0.75 0.66 -0.68 0.00 0.00 0.00 0.00 176.54 177.27 2kuf s ALA 591 N -2.64 0.04 -0.25 3.60 0.00 -1.25 -5.05 121.76 116.20 2kuf s ALA 591 Ca -0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 2kuf s ALA 591 Cb 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2kuf s ALA 591 CO 0.87 -0.13 0.16 -0.51 0.00 0.00 0.00 175.76 176.15 2kuf s ASP 592 N -1.12 6.06 -0.12 0.00 1.01 -1.26 -3.29 116.67 117.95 2kuf s ASP 592 Ca -0.12 0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.16 2kuf s ASP 592 Cb -0.08 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 2kuf s ASP 592 CO -0.01 0.03 0.06 -0.69 0.21 0.00 0.00 175.17 174.78 2kuf s VAL 593 N 1.25 4.82 -0.50 -1.27 1.01 0.29 -4.79 120.40 121.19 2kuf s VAL 593 Ca 0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 2kuf s VAL 593 Cb -0.14 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2kuf s VAL 593 CO 0.06 0.57 1.43 -0.62 0.00 0.00 0.00 175.10 176.55 2kuf s ASP 594 N -0.61 6.18 0.11 3.32 2.15 -1.26 -0.54 116.67 126.01 2kuf s ASP 594 Ca 0.11 0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.59 2kuf s ASP 594 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2kuf s ASP 594 CO 0.02 -1.63 0.00 0.00 -0.17 0.00 0.00 175.17 173.40 2kuf n ALA 595 N 9.40 3.00 0.00 3.66 0.00 -1.26 -4.96 120.51 130.35 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 0.49 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 2.54 2.90 0.34 0.00 0.00 -0.98 -4.67 105.19 105.32 2kuf n GLY 596 Ca 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.43 2.00 -0.02 0.00 -1.88 -1.79 103.07 101.81 2kuf h GLY 597 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2kuf h GLY 597 CO 0.00 0.09 -0.26 0.23 0.00 0.00 0.00 176.54 176.60 2kuf h SER 598 N 0.32 0.00 0.03 0.19 0.87 -1.96 -1.98 113.55 111.02 2kuf h SER 598 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kuf h SER 598 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2kuf h SER 598 CO -0.05 0.26 -0.05 0.00 -0.53 0.00 0.00 176.83 176.46 2kuf n GLN 599 N -3.39 1.52 -1.72 2.24 1.13 -0.68 -4.97 117.38 111.51 2kuf n GLN 599 Ca 0.00 -0.90 -0.01 0.00 -1.94 0.00 0.00 57.00 54.15 2kuf n GLN 599 Cb 0.46 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.32 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 0.04 -0.91 -2.08 1.08 8.25 -0.74 -4.89 115.22 115.97 2kuf n HIS 600 Ca 0.18 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.74 2kuf n HIS 600 Cb 0.36 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.48 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 0.34 4.41 -4.99 0.41 6.94 -1.25 -4.83 115.26 116.29 2kuf n ASN 601 Ca -0.08 -2.92 -0.18 0.00 -0.02 0.00 0.00 54.58 51.37 2kuf n ASN 601 Cb 0.13 -1.63 -0.00 0.00 -2.36 0.00 0.00 39.78 35.92 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 2.62 3.04 0.21 -3.83 1.70 -1.26 -4.36 118.95 117.07 2kuf s ARG 602 Ca 0.46 -1.08 -0.31 0.00 -0.47 0.00 0.00 55.73 54.33 2kuf s ARG 602 Cb 0.10 -2.80 -0.11 0.00 -0.57 0.00 0.00 34.95 31.58 2kuf s ARG 602 CO -0.04 -0.02 1.59 0.54 -1.08 0.00 0.00 175.30 176.29 2kuf s VAL 603 N -2.22 2.39 -0.07 4.99 0.11 0.06 -3.11 120.40 122.55 2kuf s VAL 603 Ca 0.48 0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.92 2kuf s VAL 603 Cb -0.10 -3.19 -0.14 0.00 -1.53 0.00 0.00 36.38 31.43 2kuf s VAL 603 CO 0.31 0.03 0.10 0.55 -3.33 0.00 0.00 175.10 172.77 2kuf n VAL 604 N 3.42 0.46 -3.69 2.04 3.14 -0.77 -4.56 118.33 118.38 2kuf n VAL 604 Ca 0.12 -0.37 -0.12 0.00 -2.96 0.00 0.00 64.34 61.02 2kuf n VAL 604 Cb 0.38 -0.40 -0.09 0.00 -1.06 0.00 0.00 33.84 32.66 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 -2.42 -0.64 -0.04 1.45 5.04 -1.12 -5.05 117.35 114.58 2kuf s TYR 605 Ca -0.05 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 56.06 2kuf s TYR 605 Cb 0.04 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.62 2kuf s TYR 605 CO 0.43 -0.33 -0.16 1.14 -1.34 0.00 0.00 175.55 175.30 2kuf s GLN 606 N 0.80 1.59 0.02 4.97 -2.07 -1.26 -0.14 119.66 123.57 2kuf s GLN 606 Ca -0.04 -0.56 -0.25 0.00 -1.82 0.00 0.00 55.36 52.68 2kuf s GLN 606 Cb -0.05 -1.42 -0.18 0.00 -1.09 0.00 0.00 33.01 30.27 2kuf s GLN 606 CO -0.06 0.24 1.41 -0.97 -1.32 0.00 0.00 175.29 174.59 2kuf h ASN 607 N 6.19 -0.13 -3.40 12.60 -0.73 -1.58 -3.39 115.58 125.13 2kuf h ASN 607 Ca -0.33 -0.23 -0.57 0.00 1.87 0.00 0.00 56.30 57.04 2kuf h ASN 607 Cb 1.17 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.73 2kuf h ASN 607 CO 0.48 0.16 0.90 -2.84 -0.37 0.00 0.00 177.43 175.77 2kuf s PRO 608 N -5.01 3.92 0.43 6.67 0.02 -1.26 -5.01 135.00 134.76 2kuf s PRO 608 Ca -0.15 0.94 -0.24 0.00 0.02 0.00 0.00 61.00 61.58 2kuf s PRO 608 Cb 0.03 -3.82 -0.08 0.00 0.02 0.00 0.00 34.50 30.65 2kuf s PRO 608 CO 0.63 -1.11 1.17 -2.14 -0.33 0.00 0.00 177.00 175.22 2kuf s PRO 609 N 4.03 3.91 0.22 5.54 0.02 -1.26 -4.97 135.00 142.49 2kuf s PRO 609 Ca 0.49 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 63.01 2kuf s PRO 609 Cb -0.11 -2.55 -0.11 0.00 0.02 0.00 0.00 34.50 31.76 2kuf s PRO 609 CO 0.22 -0.43 1.55 0.00 -0.33 0.00 0.00 177.00 178.01 2kuf s ALA 610 N -1.48 3.75 0.00 -1.55 0.00 -1.26 -1.87 121.76 119.35 2kuf s ALA 610 Ca 0.60 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2kuf s ALA 610 Cb -0.30 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kuf s ALA 610 CO 0.37 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2kuf n GLY 611 N 3.02 0.57 3.78 0.00 0.00 0.68 -4.88 105.19 108.36 2kuf n GLY 611 Ca 0.11 0.00 -0.30 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 -2.00 4.53 0.01 2.61 2.01 -0.78 -4.83 115.64 117.19 2kuf s THR 612 Ca 0.00 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2kuf s THR 612 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2kuf s THR 612 CO 0.00 0.11 1.26 -0.83 -0.69 0.00 0.00 174.62 174.47 2kuf s GLY 613 N -2.45 2.14 0.01 4.40 0.00 -1.26 -1.09 107.32 109.06 2kuf s GLY 613 Ca 0.29 0.80 0.07 0.00 0.00 0.00 0.00 44.72 45.88 2kuf s GLY 613 CO 0.22 2.24 -0.20 -1.34 0.00 0.00 0.00 173.10 174.02 2kuf s VAL 614 N 1.79 2.60 1.03 1.40 -7.23 0.96 -4.84 120.40 116.10 2kuf s VAL 614 Ca 0.59 -1.10 -0.22 0.00 -1.81 0.00 0.00 61.98 59.45 2kuf s VAL 614 Cb -0.29 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 2kuf s VAL 614 CO 0.26 0.45 -0.86 -0.46 -0.31 0.00 0.00 175.10 174.18 2kuf n ASN 615 N 1.94 -3.34 0.16 4.85 0.23 -1.26 -0.14 115.26 117.70 2kuf n ASN 615 Ca -0.16 0.03 0.18 0.00 -0.53 0.00 0.00 54.58 54.10 2kuf n ASN 615 Cb 0.52 -0.72 0.79 0.00 -2.08 0.00 0.00 39.78 38.29 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 -1.32 0.00 -0.00 -3.83 0.11 -1.17 0.22 114.38 108.39 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 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2kuf h ARG 616 CO 0.27 0.00 -0.73 -0.25 0.10 0.00 0.00 179.97 179.36 2kuf n ASP 617 N -3.74 0.99 -0.89 0.08 9.92 -1.26 -4.81 116.55 116.83 2kuf n ASP 617 Ca 0.04 -0.84 -0.12 0.00 -0.53 0.00 0.00 54.79 53.35 2kuf n ASP 617 Cb 0.45 0.64 -0.05 0.00 -0.64 0.00 0.00 41.12 41.52 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kuf n GLY 618 N 1.48 1.26 3.66 0.44 0.00 0.78 -1.08 105.19 111.72 2kuf n GLY 618 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.37 3.83 -0.05 -0.61 -1.16 -1.26 -4.88 121.20 114.70 2kuf s ILE 619 Ca 0.00 1.00 0.04 0.00 -0.51 0.00 0.00 60.65 61.17 2kuf s ILE 619 Cb 0.00 -3.65 0.00 0.00 0.61 0.00 0.00 42.46 39.42 2kuf s ILE 619 CO 0.00 -0.10 -0.15 0.27 -2.81 0.00 0.00 174.94 172.15 2kuf s ILE 620 N 3.91 1.29 -0.14 2.00 -5.25 -1.26 -4.91 121.20 116.83 2kuf s ILE 620 Ca 0.67 -0.62 -0.06 0.00 -0.99 0.00 0.00 60.65 59.65 2kuf s ILE 620 Cb -0.29 -1.12 -0.04 0.00 2.95 0.00 0.00 42.46 43.96 2kuf s ILE 620 CO 0.24 0.38 0.07 0.28 -1.79 0.00 0.00 174.94 174.13 2kuf s THR 621 N 0.22 4.92 0.15 8.37 -1.32 -1.26 -3.87 115.64 122.84 2kuf s THR 621 Ca -0.07 -0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.40 2kuf s THR 621 Cb -0.12 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.67 2kuf s THR 621 CO 0.03 0.55 0.06 -1.48 -2.21 0.00 0.00 174.62 171.57 2kuf s LEU 622 N -0.43 1.73 -0.02 9.08 0.05 -1.05 -1.31 118.68 126.74 2kuf s LEU 622 Ca 0.10 -1.23 0.03 0.00 0.05 0.00 0.00 54.13 53.08 2kuf s LEU 622 Cb -0.12 0.26 -0.00 0.00 -2.05 0.00 0.00 46.19 44.27 2kuf s LEU 622 CO 0.02 -0.72 -0.11 0.00 -0.55 0.00 0.00 176.35 174.99 2kuf s ARG 623 N -4.05 0.99 0.18 1.48 1.70 0.79 -0.25 118.95 119.80 2kuf s ARG 623 Ca 0.26 -0.37 0.01 0.00 -0.47 0.00 0.00 55.73 55.16 2kuf s ARG 623 Cb 0.07 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.48 2kuf s ARG 623 CO 0.04 0.19 0.05 -0.59 -1.08 0.00 0.00 175.30 173.90 2kuf s PHE 624 N -0.05 1.19 -0.87 5.89 -0.71 -1.21 -1.84 117.98 120.38 2kuf s PHE 624 Ca 0.01 -1.15 -0.18 0.00 -1.04 0.00 0.00 56.93 54.57 2kuf s PHE 624 Cb -0.07 -0.67 -0.12 0.00 -1.21 0.00 0.00 43.02 40.96 2kuf s PHE 624 CO 0.00 -0.37 2.00 0.41 -1.34 0.00 0.00 175.22 175.93 2kuf n GLY 625 N -0.26 2.86 3.35 1.99 0.00 -1.18 -0.55 105.19 111.41 2kuf n GLY 625 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2kuf n GLY 625 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26