#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 2.39 0.00 1.61 0.04 -1.26 -3.47 135.00 134.32 2kuf s PRO 492 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2kuf s PRO 492 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2kuf s PRO 492 CO 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 177.00 175.47 2kuf n ALA 493 N -2.89 0.00 -3.09 8.56 0.00 -1.26 -4.94 120.51 116.88 2kuf n ALA 493 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2kuf n ALA 493 Cb 0.52 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.51 0.00 0.03 0.00 -4.23 -1.23 -0.35 115.64 107.36 2kuf s THR 494 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.46 2kuf s THR 494 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 2kuf s THR 494 CO 0.00 -0.01 0.03 -0.54 -0.54 0.00 0.00 174.62 173.56 2kuf s LYS 495 N 0.06 0.51 0.15 3.99 1.02 0.82 -4.41 119.74 121.88 2kuf s LYS 495 Ca -0.00 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 2kuf s LYS 495 Cb -0.02 0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.41 2kuf s LYS 495 CO 0.00 -0.11 0.58 0.16 -0.92 0.00 0.00 175.35 175.06 2kuf s ASP 496 N -2.09 6.89 -0.14 2.83 -4.77 -1.26 -0.28 116.67 117.85 2kuf s ASP 496 Ca -0.06 1.15 -0.08 0.00 -3.30 0.00 0.00 52.55 50.26 2kuf s ASP 496 Cb -0.02 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.45 2kuf s ASP 496 CO -0.05 0.12 0.14 0.27 0.70 0.00 0.00 175.17 176.35 2kuf s ILE 497 N -1.43 5.48 0.65 2.11 -4.36 -0.99 -4.95 121.20 117.71 2kuf s ILE 497 Ca 0.37 0.22 -0.09 0.00 -0.26 0.00 0.00 60.65 60.89 2kuf s ILE 497 Cb -0.16 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2kuf s ILE 497 CO 0.19 0.58 1.01 -2.16 0.24 0.00 0.00 174.94 174.80 2kuf s PRO 498 N -0.71 3.02 -0.61 0.37 0.05 -1.26 -0.44 135.00 135.41 2kuf s PRO 498 Ca 0.14 0.35 -0.28 0.00 0.05 0.00 0.00 61.00 61.26 2kuf s PRO 498 Cb -0.12 -2.12 0.02 0.00 0.05 0.00 0.00 34.50 32.33 2kuf s PRO 498 CO 0.03 -0.82 1.33 0.16 0.05 0.00 0.00 177.00 177.74 2kuf s ASP 499 N -4.30 6.20 -0.89 6.66 -4.77 -1.26 -4.69 116.67 113.62 2kuf s ASP 499 Ca 0.56 0.05 0.01 0.00 -3.30 0.00 0.00 52.55 49.86 2kuf s ASP 499 Cb -0.11 -2.55 0.31 0.00 -1.09 0.00 0.00 42.92 39.48 2kuf s ASP 499 CO 0.50 -1.70 1.42 1.33 0.70 0.00 0.00 175.17 177.42 2kuf n VAL 500 N 6.69 4.81 -4.03 2.11 0.24 -1.26 -4.89 118.33 122.00 2kuf n VAL 500 Ca 0.09 -5.80 -0.33 0.00 -2.04 0.00 0.00 64.34 56.26 2kuf n VAL 500 Cb 0.49 -1.70 -0.15 0.00 -1.47 0.00 0.00 33.84 31.02 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 -3.58 2.62 0.00 2.33 0.00 -1.26 -2.78 121.76 119.09 2kuf s ALA 501 Ca 0.40 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2kuf s ALA 501 Cb 0.17 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2kuf s ALA 501 CO -0.06 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2kuf n GLY 502 N 4.50 3.35 2.07 0.00 0.00 -0.89 -4.94 105.19 109.28 2kuf n GLY 502 Ca -0.14 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 0.48 -1.85 1.61 0.00 -1.26 -4.83 117.38 111.52 2kuf n GLN 503 Ca 0.00 -1.54 -0.33 0.00 0.00 0.00 0.00 57.00 55.13 2kuf n GLN 503 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 30.24 30.02 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 -1.26 3.54 0.21 -0.39 2.01 -1.26 -1.75 115.64 116.73 2kuf s THR 504 Ca 0.34 0.70 -0.10 0.00 0.31 0.00 0.00 61.69 62.94 2kuf s THR 504 Cb -0.02 -3.23 0.15 0.00 0.01 0.00 0.00 72.50 69.41 2kuf s THR 504 CO 0.22 -0.46 1.84 1.62 -0.69 0.00 0.00 174.62 177.15 2kuf h VAL 505 N 0.11 1.22 -0.67 3.82 3.04 -1.37 0.15 116.25 122.56 2kuf h VAL 505 Ca -0.46 -0.53 -0.08 0.00 -1.01 0.00 0.00 66.70 64.62 2kuf h VAL 505 Cb 1.23 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.67 2kuf h VAL 505 CO 0.56 0.24 0.10 -0.78 -1.01 0.00 0.00 177.57 176.68 2kuf h ASP 506 N 1.06 1.08 -0.48 3.17 3.58 -1.92 0.67 116.42 123.56 2kuf h ASP 506 Ca 0.27 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kuf h ASP 506 Cb -0.00 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 2kuf h ASP 506 CO -0.05 1.07 0.05 0.58 -2.88 0.00 0.00 179.24 178.01 2kuf h VAL 507 N 1.05 1.25 -0.48 2.25 2.07 -1.78 0.14 116.25 120.75 2kuf h VAL 507 Ca 0.20 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2kuf h VAL 507 Cb 0.46 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2kuf h VAL 507 CO 0.01 0.34 0.24 0.00 0.02 0.00 0.00 177.57 178.19 2kuf h ALA 508 N 0.95 0.62 -0.37 1.67 0.00 -0.40 0.11 119.26 121.84 2kuf h ALA 508 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kuf h ALA 508 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kuf h ALA 508 CO 0.02 0.18 0.16 1.96 0.00 0.00 0.00 179.25 181.56 2kuf h GLN 509 N 0.64 0.55 -0.66 0.00 4.20 -0.37 0.72 115.11 120.20 2kuf h GLN 509 Ca 0.17 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 2kuf h GLN 509 Cb 0.11 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2kuf h GLN 509 CO -0.02 0.52 0.11 0.87 -0.67 0.00 0.00 178.83 179.64 2kuf h LYS 510 N 0.46 1.08 -0.02 1.46 1.79 -0.65 -0.97 116.57 119.72 2kuf h LYS 510 Ca 0.13 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2kuf h LYS 510 Cb 0.17 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2kuf h LYS 510 CO -0.01 0.98 0.01 -0.97 -1.08 0.00 0.00 179.45 178.38 2kuf h ASN 511 N 1.01 0.02 0.03 0.86 -1.24 -0.34 -1.35 115.58 114.57 2kuf h ASN 511 Ca 0.20 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.03 2kuf h ASN 511 Cb 0.43 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2kuf h ASN 511 CO 0.01 0.08 -0.38 0.17 -1.29 0.00 0.00 177.43 176.02 2kuf h LEU 512 N -0.04 0.48 -1.09 0.34 8.10 -0.74 -2.62 115.31 119.74 2kuf h LEU 512 Ca 0.01 -0.20 -0.02 0.00 0.11 0.00 0.00 57.88 57.78 2kuf h LEU 512 Cb 0.06 -0.13 -0.03 0.00 -0.44 0.00 0.00 40.66 40.11 2kuf h LEU 512 CO -0.00 0.82 0.38 -1.13 -4.11 0.00 0.00 178.44 174.40 2kuf h ASN 513 N 0.39 0.91 -0.42 0.17 -0.00 -0.74 0.17 115.58 116.06 2kuf h ASN 513 Ca 0.04 -0.08 0.02 0.00 -0.00 0.00 0.00 56.30 56.27 2kuf h ASN 513 Cb 0.84 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.90 2kuf h ASN 513 CO 0.07 0.75 0.28 0.58 -0.00 0.00 0.00 177.43 179.10 2kuf h VAL 514 N 1.02 1.07 -0.26 2.57 2.07 -0.86 0.29 116.25 122.15 2kuf h VAL 514 Ca 0.26 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2kuf h VAL 514 Cb 0.05 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2kuf h VAL 514 CO -0.04 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.42 2kuf n TYR 515 N -4.48 0.67 0.15 1.57 4.01 -0.78 -4.76 117.16 113.53 2kuf n TYR 515 Ca 0.04 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 2kuf n TYR 515 Cb 0.10 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N -0.20 -0.41 3.19 2.72 0.00 0.53 -4.93 105.19 106.10 2kuf n GLY 516 Ca 0.16 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.44 -2.30 -2.57 1.61 3.72 0.96 -4.99 117.46 110.45 2kuf n PHE 517 Ca 0.00 0.83 -0.04 0.00 -0.05 0.00 0.00 57.45 58.19 2kuf n PHE 517 Cb 0.00 -4.36 0.02 0.00 -0.94 0.00 0.00 39.48 34.19 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 -4.43 0.00 -4.41 4.37 -2.24 -1.26 -4.94 114.28 101.37 2kuf n THR 518 Ca -0.03 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.11 2kuf n THR 518 Cb 0.56 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.70 3.12 0.07 -0.78 3.01 -1.13 -4.99 119.74 116.34 2kuf s LYS 519 Ca 0.11 -0.46 0.04 0.00 -1.01 0.00 0.00 55.97 54.65 2kuf s LYS 519 Cb -0.01 -2.80 -0.03 0.00 -1.01 0.00 0.00 37.83 33.99 2kuf s LYS 519 CO 0.07 0.58 -0.11 -0.59 0.51 0.00 0.00 175.35 175.82 2kuf s PHE 520 N -0.56 1.02 0.05 3.18 -0.12 -1.26 0.00 117.98 120.29 2kuf s PHE 520 Ca 0.09 -0.54 -0.01 0.00 -0.05 0.00 0.00 56.93 56.43 2kuf s PHE 520 Cb -0.12 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2kuf s PHE 520 CO 0.02 -0.00 -0.03 -1.54 -0.05 0.00 0.00 175.22 173.62 2kuf s SER 521 N -1.94 0.54 -0.08 1.98 1.04 0.81 -4.84 113.70 111.20 2kuf s SER 521 Ca -0.02 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.48 2kuf s SER 521 Cb -0.07 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2kuf s SER 521 CO 0.01 -0.57 -0.20 0.00 0.98 0.00 0.00 173.24 173.46 2kuf s GLN 522 N -3.77 2.80 -0.16 4.02 -2.07 -1.26 -0.21 119.66 119.00 2kuf s GLN 522 Ca 0.06 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.77 2kuf s GLN 522 Cb 0.07 -2.33 -0.02 0.00 -1.09 0.00 0.00 33.01 29.64 2kuf s GLN 522 CO -0.09 0.36 -0.08 0.00 -1.32 0.00 0.00 175.29 174.16 2kuf s ALA 523 N -0.08 2.77 -0.15 2.60 0.00 0.60 -4.91 121.76 122.58 2kuf s ALA 523 Ca -0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 2kuf s ALA 523 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2kuf s ALA 523 CO 0.04 0.02 0.30 -1.54 0.00 0.00 0.00 175.76 174.58 2kuf s SER 524 N 0.71 6.45 0.04 0.00 1.04 -1.26 -0.15 113.70 120.54 2kuf s SER 524 Ca -0.04 0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 2kuf s SER 524 Cb -0.15 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 2kuf s SER 524 CO 0.02 0.11 -0.03 0.54 0.98 0.00 0.00 173.24 174.86 2kuf s VAL 525 N 0.40 0.19 -0.09 5.02 0.11 -0.09 -4.96 120.40 120.99 2kuf s VAL 525 Ca 0.17 -1.48 -0.12 0.00 -2.93 0.00 0.00 61.98 57.62 2kuf s VAL 525 Cb -0.13 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 2kuf s VAL 525 CO 0.04 -0.81 0.29 1.51 -3.33 0.00 0.00 175.10 172.80 2kuf s ASP 526 N -2.38 6.56 0.13 3.54 1.47 -1.26 -0.16 116.67 124.56 2kuf s ASP 526 Ca -0.01 0.66 -0.24 0.00 1.18 0.00 0.00 52.55 54.13 2kuf s ASP 526 Cb 0.01 -2.17 0.07 0.00 -0.34 0.00 0.00 42.92 40.49 2kuf s ASP 526 CO -0.07 0.27 0.69 -0.44 0.68 0.00 0.00 175.17 176.30 2kuf s SER 527 N -0.51 -0.49 0.00 2.11 0.01 -0.47 -4.88 113.70 109.46 2kuf s SER 527 Ca 0.19 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.40 2kuf s SER 527 Cb -0.14 0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.73 2kuf s SER 527 CO 0.07 -0.92 0.43 -2.65 0.41 0.00 0.00 173.24 170.59 2kuf n PRO 528 N -0.36 0.33 -2.97 12.44 -0.02 -1.26 -3.76 135.00 139.40 2kuf n PRO 528 Ca -0.14 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.94 2kuf n PRO 528 Cb 0.64 -1.07 -0.05 0.00 -0.02 0.00 0.00 33.50 33.00 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 -2.00 4.48 0.45 -0.52 3.00 -1.26 -4.94 118.95 118.16 2kuf s ARG 529 Ca 0.02 1.05 -0.26 0.00 0.00 0.00 0.00 55.73 56.54 2kuf s ARG 529 Cb 0.01 -3.41 -0.09 0.00 0.00 0.00 0.00 34.95 31.46 2kuf s ARG 529 CO 0.02 0.15 1.44 -0.35 0.00 0.00 0.00 175.30 176.56 2kuf n PRO 530 N 3.35 2.30 -1.57 3.54 -0.04 -1.26 -2.43 135.00 138.88 2kuf n PRO 530 Ca -0.01 0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 2kuf n PRO 530 Cb 0.51 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuf n ALA 531 N -0.16 1.43 0.00 0.55 0.00 -1.21 -1.66 120.51 119.46 2kuf n ALA 531 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kuf n ALA 531 Cb 0.41 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 5.95 1.44 3.69 0.00 0.00 -1.20 -4.93 105.19 110.13 2kuf n GLY 532 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 4.38 -0.19 1.61 2.12 -0.67 -0.97 118.70 124.98 2kuf s GLU 533 Ca 0.00 1.59 -0.27 0.00 0.36 0.00 0.00 54.97 56.65 2kuf s GLU 533 Cb 0.00 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 2kuf s GLU 533 CO 0.00 -0.39 0.94 0.54 -0.54 0.00 0.00 175.26 175.81 2kuf s VAL 534 N 2.06 4.78 -0.98 3.70 0.11 -0.72 -2.89 120.40 126.46 2kuf s VAL 534 Ca 0.54 1.84 0.11 0.00 -2.93 0.00 0.00 61.98 61.53 2kuf s VAL 534 Cb -0.23 -4.23 0.49 0.00 -1.53 0.00 0.00 36.38 30.89 2kuf s VAL 534 CO 0.21 -0.07 1.32 0.41 -3.33 0.00 0.00 175.10 173.64 2kuf n THR 535 N 5.01 1.42 0.00 5.04 -1.04 0.91 -2.10 114.28 123.51 2kuf n THR 535 Ca 0.08 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 2kuf n THR 535 Cb 0.48 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kuf n GLY 536 N 0.67 -0.03 3.50 3.41 0.00 -1.12 -4.83 105.19 106.79 2kuf n GLY 536 Ca 0.17 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 2.79 0.04 2.61 -4.23 -1.26 -0.27 115.64 115.31 2kuf s THR 537 Ca 0.00 -1.87 -0.26 0.00 -1.18 0.00 0.00 61.69 58.38 2kuf s THR 537 Cb 0.00 -2.37 -0.17 0.00 1.34 0.00 0.00 72.50 71.30 2kuf s THR 537 CO 0.00 -0.13 1.46 -1.13 -0.54 0.00 0.00 174.62 174.28 2kuf h ASN 538 N 2.98 -0.28 -4.01 3.99 -0.73 -1.20 -3.43 115.58 112.90 2kuf h ASN 538 Ca -0.46 -0.13 -0.52 0.00 1.87 0.00 0.00 56.30 57.06 2kuf h ASN 538 Cb 1.21 0.07 0.08 0.00 0.27 0.00 0.00 38.32 39.96 2kuf h ASN 538 CO 0.52 -0.03 0.53 -2.84 -0.37 0.00 0.00 177.43 175.23 2kuf s PRO 539 N -5.32 3.63 0.38 6.67 0.02 -1.26 -4.96 135.00 134.16 2kuf s PRO 539 Ca -0.15 1.93 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 2kuf s PRO 539 Cb 0.03 -2.41 -0.11 0.00 0.02 0.00 0.00 34.50 32.04 2kuf s PRO 539 CO 0.61 -0.70 1.38 -2.30 -0.33 0.00 0.00 177.00 175.65 2kuf n PRO 540 N -0.55 2.32 -2.15 5.54 -0.02 -1.26 -4.93 135.00 133.94 2kuf n PRO 540 Ca 0.08 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 2kuf n PRO 540 Cb 0.47 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 541 N -1.13 3.52 0.00 3.55 0.00 -1.26 -2.31 121.76 124.12 2kuf s ALA 541 Ca 0.56 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2kuf s ALA 541 Cb -0.51 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2kuf s ALA 541 CO 0.62 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.19 2kuf n GLY 542 N 1.40 1.87 3.74 0.00 0.00 0.41 -4.93 105.19 107.68 2kuf n GLY 542 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.40 4.24 -0.13 2.61 2.01 -0.98 -4.66 115.64 116.34 2kuf s THR 543 Ca 0.00 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.77 2kuf s THR 543 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2kuf s THR 543 CO 0.00 0.41 0.98 0.28 -0.69 0.00 0.00 174.62 175.60 2kuf s THR 544 N -0.61 4.79 0.23 -0.82 -1.32 -1.26 -2.35 115.64 114.29 2kuf s THR 544 Ca 0.44 1.97 0.10 0.00 -1.21 0.00 0.00 61.69 62.99 2kuf s THR 544 Cb -0.25 -4.28 -0.05 0.00 -1.51 0.00 0.00 72.50 66.41 2kuf s THR 544 CO 0.31 -0.01 -0.18 0.68 -2.21 0.00 0.00 174.62 173.21 2kuf s VAL 545 N 2.18 2.08 0.31 5.08 -7.23 0.61 -4.88 120.40 118.55 2kuf s VAL 545 Ca 0.46 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 2kuf s VAL 545 Cb -0.18 -2.13 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 2kuf s VAL 545 CO 0.15 -0.46 1.45 -2.84 -0.31 0.00 0.00 175.10 173.09 2kuf s PRO 546 N -3.44 4.22 0.58 4.82 0.02 -1.26 -0.12 135.00 139.81 2kuf s PRO 546 Ca 0.25 2.41 0.37 0.00 0.02 0.00 0.00 61.00 64.04 2kuf s PRO 546 Cb -0.03 -3.04 1.74 0.00 0.02 0.00 0.00 34.50 33.19 2kuf s PRO 546 CO 0.10 -0.43 2.11 -0.24 -0.33 0.00 0.00 177.00 178.21 2kuf h VAL 547 N 3.22 0.00 0.00 3.83 3.04 -0.99 -1.24 116.25 124.11 2kuf h VAL 547 Ca -0.48 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2kuf h VAL 547 Cb 1.23 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2kuf h VAL 547 CO 0.71 0.00 -0.56 -0.67 -1.01 0.00 0.00 177.57 176.04 2kuf n ASP 548 N -3.03 0.61 -4.89 3.17 2.03 -1.26 -4.03 116.55 109.15 2kuf n ASP 548 Ca -0.01 0.04 -0.27 0.00 0.52 0.00 0.00 54.79 55.07 2kuf n ASP 548 Cb 0.21 0.15 0.08 0.00 -0.72 0.00 0.00 41.12 40.84 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 -3.81 4.68 -0.22 1.67 1.04 -0.47 -4.80 113.70 111.79 2kuf s SER 549 Ca 0.08 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.93 2kuf s SER 549 Cb 0.15 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 2kuf s SER 549 CO 0.70 -1.71 0.08 0.54 0.98 0.00 0.00 173.24 173.84 2kuf s VAL 550 N -3.34 4.63 -0.00 5.02 0.11 -1.26 -2.83 120.40 122.74 2kuf s VAL 550 Ca 0.61 -0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.39 2kuf s VAL 550 Cb -0.10 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 2kuf s VAL 550 CO 0.46 0.38 0.58 -0.63 -3.33 0.00 0.00 175.10 172.55 2kuf s ILE 551 N 1.08 4.92 -0.30 7.04 1.01 0.10 -4.90 121.20 130.15 2kuf s ILE 551 Ca 0.05 1.20 -0.10 0.00 0.00 0.00 0.00 60.65 61.80 2kuf s ILE 551 Cb -0.14 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2kuf s ILE 551 CO 0.03 0.43 0.17 -0.70 0.00 0.00 0.00 174.94 174.87 2kuf s GLU 552 N -0.28 3.60 -0.17 2.79 2.56 -1.26 -0.13 118.70 125.81 2kuf s GLU 552 Ca 0.30 -0.55 -0.16 0.00 0.00 0.00 0.00 54.97 54.56 2kuf s GLU 552 Cb -0.18 -3.60 -0.04 0.00 2.00 0.00 0.00 34.13 32.31 2kuf s GLU 552 CO 0.17 -0.32 0.41 -0.51 -0.56 0.00 0.00 175.26 174.45 2kuf s LEU 553 N 1.68 4.21 -0.30 2.70 2.01 0.70 -0.59 118.68 129.09 2kuf s LEU 553 Ca 0.06 0.62 -0.20 0.00 0.01 0.00 0.00 54.13 54.61 2kuf s LEU 553 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 46.19 43.47 2kuf s LEU 553 CO 0.08 -0.02 0.63 -1.58 1.01 0.00 0.00 176.35 176.47 2kuf s GLN 554 N 0.94 3.94 -0.21 1.70 2.00 0.62 -0.29 119.66 128.36 2kuf s GLN 554 Ca 0.21 0.35 -0.04 0.00 -2.00 0.00 0.00 55.36 53.88 2kuf s GLN 554 Cb -0.14 -3.71 -0.02 0.00 0.80 0.00 0.00 33.01 29.94 2kuf s GLN 554 CO 0.08 -0.55 -0.03 0.08 -0.50 0.00 0.00 175.29 174.38 2kuf s VAL 555 N 2.60 3.61 -0.14 1.34 1.01 0.79 -0.06 120.40 129.55 2kuf s VAL 555 Ca 0.26 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 2kuf s VAL 555 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2kuf s VAL 555 CO 0.11 0.42 0.54 -0.44 0.00 0.00 0.00 175.10 175.73 2kuf s SER 556 N 1.26 6.70 0.04 3.32 0.01 -1.14 -0.91 113.70 122.98 2kuf s SER 556 Ca 0.03 0.84 -0.20 0.00 1.31 0.00 0.00 55.95 57.94 2kuf s SER 556 Cb -0.14 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 2kuf s SER 556 CO -0.00 -0.09 0.57 -1.59 0.41 0.00 0.00 173.24 172.54 2kuf s LYS 557 N 1.02 4.25 0.59 12.44 -2.85 0.77 -3.26 119.74 132.70 2kuf s LYS 557 Ca 0.28 0.73 0.32 0.00 -1.00 0.00 0.00 55.97 56.29 2kuf s LYS 557 Cb -0.16 -3.28 1.87 0.00 -2.06 0.00 0.00 37.83 34.20 2kuf s LYS 557 CO 0.11 0.52 2.25 0.78 0.10 0.00 0.00 175.35 179.11 2kuf h GLY 558 N 5.02 0.00 0.00 0.59 0.00 -1.57 -1.26 103.07 105.85 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 0.66 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.19 2kuf n ASN 559 N -3.68 0.00 -4.55 0.19 2.85 -1.26 -4.29 115.26 104.52 2kuf n ASN 559 Ca -0.03 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.12 2kuf n ASN 559 Cb 0.10 -0.05 -0.11 0.00 1.24 0.00 0.00 39.78 40.97 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kuf s GLN 560 N 0.00 2.46 0.23 1.20 -0.21 -1.26 -1.42 119.66 120.65 2kuf s GLN 560 Ca 0.00 -0.76 0.10 0.00 0.02 0.00 0.00 55.36 54.72 2kuf s GLN 560 Cb 0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 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 -0.93 2.02 -0.08 0.91 -0.71 -0.14 -4.78 117.98 114.26 2kuf s PHE 561 Ca 0.16 -0.44 -0.29 0.00 -1.04 0.00 0.00 56.93 55.32 2kuf s PHE 561 Cb -0.11 -0.93 -0.06 0.00 -1.21 0.00 0.00 43.02 40.71 2kuf s PHE 561 CO 0.06 0.51 1.88 0.08 -1.34 0.00 0.00 175.22 176.41 2kuf s VAL 562 N -2.49 3.27 0.04 -2.49 1.01 -1.26 -0.94 120.40 117.54 2kuf s VAL 562 Ca 0.24 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 2kuf s VAL 562 Cb -0.04 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 2kuf s VAL 562 CO 0.10 -0.07 1.38 -0.32 0.00 0.00 0.00 175.10 176.19 2kuf s MET 563 N 4.78 4.31 0.90 2.72 1.75 0.83 -4.88 119.30 129.72 2kuf s MET 563 Ca 0.84 1.99 -0.12 0.00 -1.25 0.00 0.00 55.69 57.15 2kuf s MET 563 Cb -0.35 -3.45 0.13 0.00 2.84 0.00 0.00 34.83 34.00 2kuf s MET 563 CO 0.35 -0.51 1.13 -1.25 -0.65 0.00 0.00 175.02 174.10 2kuf s PRO 564 N 1.88 1.19 -0.15 4.11 0.04 -1.26 -0.96 135.00 139.85 2kuf s PRO 564 Ca 0.64 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 2kuf s PRO 564 Cb -0.33 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2kuf s PRO 564 CO 0.28 -2.17 0.54 0.34 0.04 0.00 0.00 177.00 176.03 2kuf s ASP 565 N -4.01 6.67 -0.01 6.66 2.15 -1.26 -4.64 116.67 122.22 2kuf s ASP 565 Ca 0.64 0.80 0.16 0.00 0.43 0.00 0.00 52.55 54.58 2kuf s ASP 565 Cb -0.15 -2.31 -0.23 0.00 -0.30 0.00 0.00 42.92 39.93 2kuf s ASP 565 CO 0.53 -0.12 0.48 -0.11 -0.17 0.00 0.00 175.17 175.79 2kuf n LEU 566 N 4.29 0.27 -4.77 -1.34 -0.00 -1.26 -4.97 117.00 109.22 2kuf n LEU 566 Ca -0.05 -0.18 -0.38 0.00 -0.00 0.00 0.00 56.01 55.40 2kuf n LEU 566 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 2kuf n LEU 566 CO 0.43 0.07 0.81 -0.44 -0.00 0.00 0.00 177.39 178.26 2kuf s SER 567 N -3.41 6.78 0.00 1.96 0.01 -1.26 -3.66 113.70 114.12 2kuf s SER 567 Ca -0.02 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.51 2kuf s SER 567 Cb 0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2kuf s SER 567 CO 0.68 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2kuf n GLY 568 N 0.72 0.77 3.51 3.44 0.00 0.62 -4.94 105.19 109.31 2kuf n GLY 568 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.94 1.74 0.35 1.61 0.23 -1.24 -4.80 119.30 116.25 2kuf s MET 569 Ca 0.00 -1.93 0.07 0.00 -1.03 0.00 0.00 55.69 52.80 2kuf s MET 569 Cb 0.00 -1.39 -0.01 0.00 -1.53 0.00 0.00 34.83 31.90 2kuf s MET 569 CO 0.00 0.01 0.45 -0.06 -2.03 0.00 0.00 175.02 173.39 2kuf s PHE 570 N -2.86 3.00 0.47 3.16 0.08 -1.26 0.08 117.98 120.64 2kuf s PHE 570 Ca 0.33 -0.28 0.15 0.00 0.12 0.00 0.00 56.93 57.24 2kuf s PHE 570 Cb 0.06 -2.04 1.07 0.00 -0.57 0.00 0.00 43.02 41.54 2kuf s PHE 570 CO 0.15 -0.05 2.03 2.35 -0.10 0.00 0.00 175.22 179.60 2kuf h TRP 571 N 0.92 0.02 0.00 0.36 2.91 -1.95 0.35 115.95 118.55 2kuf h TRP 571 Ca -0.44 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.55 2kuf h TRP 571 Cb 1.26 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2kuf h TRP 571 CO 0.44 0.14 -0.11 -0.39 -1.03 0.00 0.00 178.44 177.49 2kuf h VAL 572 N 0.02 0.28 0.00 2.65 -1.51 -1.97 -2.72 116.25 112.99 2kuf h VAL 572 Ca 0.00 -0.85 -0.26 0.00 -1.23 0.00 0.00 66.70 64.37 2kuf h VAL 572 Cb 0.23 1.67 -0.05 0.00 -2.13 0.00 0.00 31.29 31.01 2kuf h VAL 572 CO 0.02 0.11 -2.20 -0.67 -1.23 0.00 0.00 177.57 173.59 2kuf n ASP 573 N -3.24 0.33 0.20 4.19 2.03 -0.43 -4.53 116.55 115.10 2kuf n ASP 573 Ca 0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2kuf n ASP 573 Cb 0.38 1.22 -0.08 0.00 -0.72 0.00 0.00 41.12 41.92 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kuf h ALA 574 N 1.18 -0.48 -0.20 -1.67 0.00 -0.17 -2.82 119.26 115.10 2kuf h ALA 574 Ca -0.38 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2kuf h ALA 574 Cb 1.85 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2kuf h ALA 574 CO 0.02 -0.68 -0.18 0.93 0.00 0.00 0.00 179.25 179.34 2kuf h GLU 575 N -0.65 -0.19 -0.99 0.00 5.08 -1.72 0.38 114.58 116.48 2kuf h GLU 575 Ca -0.05 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2kuf h GLU 575 Cb 0.47 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 2kuf h GLU 575 CO 0.08 -0.13 0.63 -1.00 -1.00 0.00 0.00 179.01 177.59 2kuf h PRO 576 N -0.20 0.95 -0.20 2.33 0.13 -1.81 -1.08 132.00 132.13 2kuf h PRO 576 Ca 0.12 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 2kuf h PRO 576 Cb 0.38 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 2kuf h PRO 576 CO -0.32 0.63 -0.39 0.00 -0.23 0.00 0.00 178.00 177.69 2kuf h ARG 577 N 0.98 0.44 -0.10 0.86 2.47 -0.78 -1.18 114.38 117.08 2kuf h ARG 577 Ca 0.49 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 2kuf h ARG 577 Cb 0.49 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2kuf h ARG 577 CO -0.25 0.77 0.01 -0.07 0.56 0.00 0.00 179.97 180.98 2kuf h LEU 578 N 0.37 0.17 -0.99 3.04 3.38 0.77 0.13 115.31 122.18 2kuf h LEU 578 Ca 0.04 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2kuf h LEU 578 Cb 0.85 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2kuf h LEU 578 CO 0.07 0.43 -0.20 0.08 0.09 0.00 0.00 178.44 178.91 2kuf h ARG 579 N -0.08 0.50 -0.07 1.13 -0.00 -1.26 0.24 114.38 114.83 2kuf h ARG 579 Ca 0.03 -0.17 -0.12 0.00 -0.00 0.00 0.00 59.98 59.72 2kuf h ARG 579 Cb 0.33 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 2kuf h ARG 579 CO 0.00 0.67 -0.51 0.00 -0.00 0.00 0.00 179.97 180.14 2kuf h ALA 580 N 1.34 1.01 -0.00 0.08 0.00 -0.81 -2.00 119.26 118.88 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 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kuf h ALA 580 CO 0.04 0.66 -0.25 1.47 0.00 0.00 0.00 179.25 181.17 2kuf n LEU 581 N -3.95 0.36 -1.14 0.00 -0.00 0.00 -4.94 117.00 107.34 2kuf n LEU 581 Ca -0.02 0.15 -0.03 0.00 -0.00 0.00 0.00 56.01 56.11 2kuf n LEU 581 Cb 0.54 -0.31 0.01 0.00 -0.00 0.00 0.00 43.42 43.66 2kuf n LEU 581 CO 0.43 0.08 0.03 0.61 -0.00 0.00 0.00 177.39 178.53 2kuf n GLY 582 N 1.45 0.54 3.70 1.47 0.00 -0.75 -4.99 105.19 106.61 2kuf n GLY 582 Ca 0.08 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.05 3.26 -0.04 1.61 -0.00 0.01 -4.93 118.94 115.80 2kuf s TRP 583 Ca 0.04 1.20 -0.12 0.00 -0.00 0.00 0.00 56.10 57.22 2kuf s TRP 583 Cb -0.02 -3.46 -0.31 0.00 -0.00 0.00 0.00 33.47 29.68 2kuf s TRP 583 CO 0.10 -1.48 0.69 1.79 -0.00 0.00 0.00 176.95 178.06 2kuf h THR 584 N 4.74 0.96 -1.15 5.86 1.35 -1.84 -3.45 112.91 119.38 2kuf h THR 584 Ca -0.38 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 2kuf h THR 584 Cb 1.19 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2kuf h THR 584 CO 0.85 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.58 2kuf n GLY 585 N 1.85 -0.73 3.43 5.82 0.00 -0.52 -5.04 105.19 109.99 2kuf n GLY 585 Ca -0.24 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.25 1.53 -0.17 1.61 -1.94 -1.26 -5.04 119.30 113.77 2kuf s MET 586 Ca 0.00 -1.51 -0.26 0.00 -1.71 0.00 0.00 55.69 52.21 2kuf s MET 586 Cb 0.00 -1.86 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 2kuf s MET 586 CO 0.00 0.40 0.87 -1.17 -0.01 0.00 0.00 175.02 175.11 2kuf s LEU 587 N -2.64 4.17 -0.27 -0.03 0.20 -1.26 -4.58 118.68 114.27 2kuf s LEU 587 Ca 0.21 1.23 -0.03 0.00 0.69 0.00 0.00 54.13 56.23 2kuf s LEU 587 Cb -0.08 -3.30 0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2kuf s LEU 587 CO 0.10 -0.43 -0.02 -0.62 -0.29 0.00 0.00 176.35 175.08 2kuf s ASP 588 N 1.16 4.57 -0.17 3.68 2.15 -1.22 -5.09 116.67 121.76 2kuf s ASP 588 Ca 0.40 -0.90 -0.09 0.00 0.43 0.00 0.00 52.55 52.39 2kuf s ASP 588 Cb -0.17 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.69 2kuf s ASP 588 CO 0.12 -0.16 0.14 -1.59 -0.17 0.00 0.00 175.17 173.51 2kuf s LYS 589 N 1.35 3.93 -0.14 4.34 0.00 -1.26 -2.17 119.74 125.78 2kuf s LYS 589 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 55.97 55.61 2kuf s LYS 589 Cb -0.17 -3.34 -0.25 0.00 0.00 0.00 0.00 37.83 34.07 2kuf s LYS 589 CO -0.02 0.47 0.46 0.78 0.00 0.00 0.00 175.35 177.04 2kuf h GLY 590 N 6.07 0.16 -6.02 0.59 0.00 -0.66 -3.47 103.07 99.74 2kuf h GLY 590 Ca -0.46 -0.42 -0.27 0.00 0.00 0.00 0.00 47.33 46.18 2kuf h GLY 590 CO 0.70 0.37 -0.73 0.00 0.00 0.00 0.00 176.54 176.88 2kuf s ALA 591 N -2.42 0.07 -0.14 3.60 0.00 -1.25 -5.02 121.76 116.61 2kuf s ALA 591 Ca -0.23 0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2kuf s ALA 591 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2kuf s ALA 591 CO 0.70 -0.05 -0.17 0.16 0.00 0.00 0.00 175.76 176.41 2kuf s ASP 592 N 0.53 3.60 -0.26 0.00 -4.77 -1.26 -1.93 116.67 112.58 2kuf s ASP 592 Ca -0.04 -0.46 -0.04 0.00 -3.30 0.00 0.00 52.55 48.70 2kuf s ASP 592 Cb -0.07 -1.54 0.01 0.00 -1.09 0.00 0.00 42.92 40.23 2kuf s ASP 592 CO -0.01 0.12 0.00 -0.69 0.70 0.00 0.00 175.17 175.29 2kuf s VAL 593 N 0.60 3.49 -0.23 2.11 1.01 -0.59 -4.90 120.40 121.90 2kuf s VAL 593 Ca -0.10 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2kuf s VAL 593 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2kuf s VAL 593 CO 0.03 0.23 1.38 -0.62 0.00 0.00 0.00 175.10 176.12 2kuf s ASP 594 N 1.45 6.69 0.00 3.32 2.15 -1.26 0.51 116.67 129.53 2kuf s ASP 594 Ca 0.03 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.51 2kuf s ASP 594 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2kuf s ASP 594 CO -0.01 -1.02 0.00 0.00 -0.17 0.00 0.00 175.17 173.97 2kuf n ALA 595 N 7.47 2.26 0.00 3.66 0.00 -0.95 -4.90 120.51 128.05 2kuf n ALA 595 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kuf n ALA 595 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 1.52 3.77 0.34 0.00 0.00 0.07 -4.78 105.19 106.12 2kuf n GLY 596 Ca 0.00 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 0.34 2.00 -0.02 0.00 -1.95 -0.56 103.07 102.88 2kuf h GLY 597 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2kuf h GLY 597 CO 0.00 0.07 -0.06 1.48 0.00 0.00 0.00 176.54 178.02 2kuf h SER 598 N 0.25 0.00 0.02 0.19 4.64 -1.96 -0.95 113.55 115.74 2kuf h SER 598 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2kuf h SER 598 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2kuf h SER 598 CO -0.04 0.06 -0.02 0.00 -0.87 0.00 0.00 176.83 175.96 2kuf n GLN 599 N -3.48 1.40 -2.71 4.77 1.13 -0.22 -4.92 117.38 113.35 2kuf n GLN 599 Ca -0.02 -0.66 -0.05 0.00 -1.94 0.00 0.00 57.00 54.33 2kuf n GLN 599 Cb 0.19 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.08 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 -0.22 -2.03 -2.61 1.08 8.25 -0.36 -4.90 115.22 114.42 2kuf n HIS 600 Ca 0.20 0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 57.99 2kuf n HIS 600 Cb 0.29 -3.56 -0.03 0.00 1.12 0.00 0.00 29.99 27.81 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 -2.99 6.43 0.62 0.41 0.02 -1.25 -4.96 114.94 113.21 2kuf s ASN 601 Ca 0.16 -1.29 -0.01 0.00 -1.02 0.00 0.00 52.86 50.70 2kuf s ASN 601 Cb -0.02 -2.54 0.06 0.00 0.02 0.00 0.00 41.25 38.77 2kuf s ASN 601 CO 0.55 -1.53 0.87 -0.13 0.02 0.00 0.00 177.10 176.88 2kuf s ARG 602 N 4.85 2.27 0.13 -0.60 0.52 -1.26 -4.56 118.95 120.31 2kuf s ARG 602 Ca 0.41 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 2kuf s ARG 602 Cb -0.03 -2.39 -0.09 0.00 0.52 0.00 0.00 34.95 32.97 2kuf s ARG 602 CO -0.04 -0.98 1.44 0.08 0.02 0.00 0.00 175.30 175.81 2kuf s VAL 603 N -2.94 3.09 -0.24 3.52 1.01 0.11 -2.36 120.40 122.60 2kuf s VAL 603 Ca 0.60 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 2kuf s VAL 603 Cb -0.09 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2kuf s VAL 603 CO 0.41 0.06 -0.34 0.52 0.00 0.00 0.00 175.10 175.76 2kuf n VAL 604 N 3.87 1.45 -4.33 2.92 0.31 -0.56 -0.28 118.33 121.72 2kuf n VAL 604 Ca 0.12 -0.23 -0.19 0.00 -0.01 0.00 0.00 64.34 64.02 2kuf n VAL 604 Cb 0.41 -1.97 -0.15 0.00 -0.91 0.00 0.00 33.84 31.21 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2kuf s TYR 605 N -2.58 0.84 -0.06 3.52 5.04 -1.02 -4.77 117.35 118.33 2kuf s TYR 605 Ca -0.34 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.11 2kuf s TYR 605 Cb 0.11 -0.60 -0.03 0.00 0.35 0.00 0.00 41.96 41.79 2kuf s TYR 605 CO 0.45 -0.08 -0.11 1.14 -1.34 0.00 0.00 175.55 175.61 2kuf s GLN 606 N 0.17 2.62 0.10 4.97 -2.07 -1.26 -0.22 119.66 123.97 2kuf s GLN 606 Ca -0.02 -0.63 -0.27 0.00 -1.82 0.00 0.00 55.36 52.62 2kuf s GLN 606 Cb -0.08 -2.48 -0.10 0.00 -1.09 0.00 0.00 33.01 29.26 2kuf s GLN 606 CO 0.00 0.64 1.66 -0.97 -1.32 0.00 0.00 175.29 175.30 2kuf h ASN 607 N 5.27 -0.58 -3.24 12.60 -1.24 -1.30 -3.40 115.58 123.69 2kuf h ASN 607 Ca -0.48 0.06 -0.58 0.00 0.71 0.00 0.00 56.30 56.01 2kuf h ASN 607 Cb 1.16 0.21 -0.07 0.00 0.73 0.00 0.00 38.32 40.36 2kuf h ASN 607 CO 0.51 -0.30 -0.12 -2.16 -1.29 0.00 0.00 177.43 174.07 2kuf s PRO 608 N -6.09 4.23 0.72 6.67 0.05 -1.26 -5.08 135.00 134.23 2kuf s PRO 608 Ca -0.15 0.52 -0.13 0.00 0.05 0.00 0.00 61.00 61.29 2kuf s PRO 608 Cb 0.07 -3.35 0.03 0.00 0.05 0.00 0.00 34.50 31.30 2kuf s PRO 608 CO 0.65 0.36 1.10 -1.25 0.05 0.00 0.00 177.00 177.91 2kuf s PRO 609 N -0.06 2.54 0.34 0.56 0.04 -1.26 -4.95 135.00 132.22 2kuf s PRO 609 Ca 0.27 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 2kuf s PRO 609 Cb -0.16 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2kuf s PRO 609 CO 0.13 -1.43 1.48 0.00 0.04 0.00 0.00 177.00 177.22 2kuf s ALA 610 N -2.65 3.60 0.00 8.56 0.00 -1.26 -2.28 121.76 127.74 2kuf s ALA 610 Ca 0.64 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2kuf s ALA 610 Cb -0.18 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2kuf s ALA 610 CO 0.49 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2kuf n GLY 611 N 1.03 0.45 3.79 0.00 0.00 -0.14 -4.99 105.19 105.33 2kuf n GLY 611 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.95 -0.36 2.61 2.01 -0.96 -4.63 115.64 116.25 2kuf s THR 612 Ca 0.00 1.43 -0.28 0.00 0.31 0.00 0.00 61.69 63.15 2kuf s THR 612 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.82 2kuf s THR 612 CO 0.00 -0.05 1.05 -0.83 -0.69 0.00 0.00 174.62 174.10 2kuf s GLY 613 N -1.73 1.51 -0.06 4.40 0.00 -1.26 -0.12 107.32 110.06 2kuf s GLY 613 Ca 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.06 2kuf s GLY 613 CO 0.23 2.23 -0.02 -1.34 0.00 0.00 0.00 173.10 174.20 2kuf s VAL 614 N 3.76 4.08 1.11 1.40 -7.23 -0.11 -4.79 120.40 118.62 2kuf s VAL 614 Ca 0.44 -0.41 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 2kuf s VAL 614 Cb -0.11 -2.73 0.14 0.00 0.56 0.00 0.00 36.38 34.23 2kuf s VAL 614 CO 0.19 0.54 0.11 -0.46 -0.31 0.00 0.00 175.10 175.17 2kuf n ASN 615 N 1.96 -2.68 0.29 4.85 0.23 -1.26 -0.97 115.26 117.68 2kuf n ASN 615 Ca -0.17 -0.25 0.15 0.00 -0.53 0.00 0.00 54.58 53.77 2kuf n ASN 615 Cb 0.53 -0.89 0.88 0.00 -2.08 0.00 0.00 39.78 38.23 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 -2.34 0.00 0.00 -3.83 0.11 -1.64 0.37 114.38 107.05 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 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kuf h ARG 616 CO 0.30 0.02 -0.31 -3.47 0.10 0.00 0.00 179.97 176.61 2kuf n ASP 617 N -3.81 0.39 -0.56 0.08 2.03 -1.26 -4.69 116.55 108.72 2kuf n ASP 617 Ca -0.03 0.12 -0.07 0.00 0.52 0.00 0.00 54.79 55.33 2kuf n ASP 617 Cb 0.11 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 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 1.46 0.84 3.69 0.27 0.00 0.12 -1.44 105.19 110.12 2kuf n GLY 618 Ca 0.06 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -1.94 3.58 -0.05 -0.61 -1.16 -1.26 -4.86 121.20 114.90 2kuf s ILE 619 Ca 0.00 0.99 0.02 0.00 -0.51 0.00 0.00 60.65 61.16 2kuf s ILE 619 Cb 0.00 -3.64 0.01 0.00 0.61 0.00 0.00 42.46 39.44 2kuf s ILE 619 CO 0.00 0.00 -0.11 -0.51 -2.81 0.00 0.00 174.94 171.51 2kuf s ILE 620 N 2.33 1.04 -0.24 2.00 -1.16 -1.26 -4.89 121.20 119.01 2kuf s ILE 620 Ca 0.65 -0.45 -0.08 0.00 -0.51 0.00 0.00 60.65 60.26 2kuf s ILE 620 Cb -0.33 -0.94 -0.04 0.00 0.61 0.00 0.00 42.46 41.76 2kuf s ILE 620 CO 0.28 0.33 0.09 -0.89 -2.81 0.00 0.00 174.94 171.93 2kuf s THR 621 N 0.49 4.63 0.23 4.00 2.01 -1.26 -3.43 115.64 122.31 2kuf s THR 621 Ca -0.10 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.85 2kuf s THR 621 Cb -0.13 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2kuf s THR 621 CO 0.02 0.35 0.03 -1.48 -0.69 0.00 0.00 174.62 172.86 2kuf s LEU 622 N 1.34 1.99 -0.03 4.42 -0.00 -0.92 -0.72 118.68 124.75 2kuf s LEU 622 Ca 0.05 -1.27 0.04 0.00 -0.00 0.00 0.00 54.13 52.96 2kuf s LEU 622 Cb -0.15 -0.13 -0.00 0.00 -0.00 0.00 0.00 46.19 45.91 2kuf s LEU 622 CO 0.04 -0.60 -0.16 0.00 -0.00 0.00 0.00 176.35 175.63 2kuf s ARG 623 N -3.93 1.57 0.14 1.48 1.70 0.69 0.11 118.95 120.72 2kuf s ARG 623 Ca 0.31 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.97 2kuf s ARG 623 Cb 0.07 -1.41 -0.03 0.00 -0.57 0.00 0.00 34.95 33.01 2kuf s ARG 623 CO 0.09 0.25 0.13 -0.59 -1.08 0.00 0.00 175.30 174.10 2kuf s PHE 624 N -0.04 0.73 0.43 5.89 -0.71 -0.81 -1.50 117.98 121.97 2kuf s PHE 624 Ca -0.01 -1.09 -0.20 0.00 -1.04 0.00 0.00 56.93 54.59 2kuf s PHE 624 Cb -0.10 -0.35 -0.10 0.00 -1.21 0.00 0.00 43.02 41.26 2kuf s PHE 624 CO 0.01 -0.58 0.93 0.20 -1.34 0.00 0.00 175.22 174.44 2kuf s GLY 625 N -3.03 2.34 0.00 1.99 0.00 -0.99 -1.55 107.32 106.09 2kuf s GLY 625 Ca 0.22 0.33 0.20 0.00 0.00 0.00 0.00 44.72 45.47 2kuf s GLY 625 CO 0.01 0.60 1.12 -0.18 0.00 0.00 0.00 173.10 174.66