#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 4.08 0.00 1.61 0.04 -1.26 -4.94 135.00 134.54 2kuf s PRO 492 Ca 0.00 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2kuf s PRO 492 Cb 0.00 -2.77 0.08 0.00 0.04 0.00 0.00 34.50 31.84 2kuf s PRO 492 CO 0.00 -0.34 1.05 0.00 0.04 0.00 0.00 177.00 177.74 2kuf n ALA 493 N 0.23 2.06 -2.85 8.56 0.00 -1.26 -4.93 120.51 122.32 2kuf n ALA 493 Ca 0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 2kuf n ALA 493 Cb 0.45 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.97 0.32 0.01 0.00 -4.23 -1.26 0.09 115.64 109.59 2kuf s THR 494 Ca 0.06 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2kuf s THR 494 Cb 0.03 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 2kuf s THR 494 CO 0.04 -0.17 0.04 -0.54 -0.54 0.00 0.00 174.62 173.45 2kuf s LYS 495 N -0.79 0.35 -0.08 3.99 1.02 0.60 -4.80 119.74 120.04 2kuf s LYS 495 Ca -0.05 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 2kuf s LYS 495 Cb -0.06 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2kuf s LYS 495 CO -0.00 -0.07 0.57 -0.51 -0.92 0.00 0.00 175.35 174.42 2kuf s ASP 496 N -1.27 6.84 -0.14 2.83 1.01 -1.26 -0.21 116.67 124.47 2kuf s ASP 496 Ca -0.14 1.01 -0.19 0.00 0.71 0.00 0.00 52.55 53.94 2kuf s ASP 496 Cb -0.08 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2kuf s ASP 496 CO 0.00 -0.01 0.53 0.27 0.21 0.00 0.00 175.17 176.17 2kuf s ILE 497 N 0.49 5.13 0.65 0.77 -4.36 -0.62 -4.94 121.20 118.31 2kuf s ILE 497 Ca 0.31 1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 61.69 2kuf s ILE 497 Cb -0.17 -3.87 0.14 0.00 1.25 0.00 0.00 42.46 39.81 2kuf s ILE 497 CO 0.14 0.26 0.88 -0.81 0.24 0.00 0.00 174.94 175.66 2kuf n PRO 498 N 4.08 -0.39 -2.60 0.37 -0.04 -1.26 0.20 135.00 135.36 2kuf n PRO 498 Ca -0.05 -1.90 -0.41 0.00 -0.04 0.00 0.00 63.50 61.09 2kuf n PRO 498 Cb 0.51 -0.74 -0.03 0.00 -0.04 0.00 0.00 33.50 33.20 2kuf n PRO 498 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kuf s ASP 499 N -4.42 6.17 0.00 3.54 2.15 -1.26 -4.75 116.67 118.10 2kuf s ASP 499 Ca 0.54 -0.55 0.21 0.00 0.43 0.00 0.00 52.55 53.18 2kuf s ASP 499 Cb -0.02 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 2kuf s ASP 499 CO 0.37 -1.77 1.05 1.33 -0.17 0.00 0.00 175.17 175.98 2kuf n VAL 500 N 6.31 0.00 -1.81 1.11 0.24 -1.26 -4.92 118.33 118.00 2kuf n VAL 500 Ca 0.02 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 2kuf n VAL 500 Cb 0.48 1.30 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 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 -2.12 2.23 0.00 2.33 0.00 -1.26 -2.20 121.76 120.74 2kuf s ALA 501 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2kuf s ALA 501 Cb 0.17 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kuf s ALA 501 CO 0.44 -3.65 0.00 0.41 0.00 0.00 0.00 175.76 172.96 2kuf n GLY 502 N 5.75 0.91 3.70 0.00 0.00 -0.82 -4.97 105.19 109.75 2kuf n GLY 502 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2kuf n GLY 502 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kuf n GLN 503 N 0.00 -0.12 -2.09 1.61 3.00 -0.93 -4.84 117.38 114.01 2kuf n GLN 503 Ca 0.00 -2.57 -0.32 0.00 -0.01 0.00 0.00 57.00 54.10 2kuf n GLN 503 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 30.24 29.59 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 -2.96 4.03 0.18 5.09 2.01 -1.26 -1.30 115.64 121.43 2kuf s THR 504 Ca 0.63 0.93 -0.12 0.00 0.31 0.00 0.00 61.69 63.45 2kuf s THR 504 Cb -0.04 -3.48 0.10 0.00 0.01 0.00 0.00 72.50 69.10 2kuf s THR 504 CO 0.42 -0.59 1.81 1.62 -0.69 0.00 0.00 174.62 177.19 2kuf h VAL 505 N 0.45 1.19 -0.70 3.82 3.04 -1.01 0.25 116.25 123.29 2kuf h VAL 505 Ca -0.47 -0.47 -0.04 0.00 -1.01 0.00 0.00 66.70 64.72 2kuf h VAL 505 Cb 1.21 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 2kuf h VAL 505 CO 0.58 0.21 0.29 -0.78 -1.01 0.00 0.00 177.57 176.86 2kuf h ASP 506 N 0.86 0.97 -0.35 3.17 3.58 -1.92 -0.18 116.42 122.55 2kuf h ASP 506 Ca 0.22 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2kuf h ASP 506 Cb 0.01 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2kuf h ASP 506 CO -0.04 0.87 -0.14 0.58 -2.88 0.00 0.00 179.24 177.64 2kuf h VAL 507 N 1.01 1.28 -0.48 2.25 2.07 -1.79 0.15 116.25 120.74 2kuf h VAL 507 Ca 0.24 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2kuf h VAL 507 Cb 0.20 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2kuf h VAL 507 CO -0.02 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.20 2kuf h ALA 508 N 0.80 0.62 -0.25 1.67 0.00 -0.19 0.13 119.26 122.04 2kuf h ALA 508 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kuf h ALA 508 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kuf h ALA 508 CO 0.05 0.19 0.06 1.96 0.00 0.00 0.00 179.25 181.51 2kuf h GLN 509 N 0.63 0.40 -0.45 0.00 4.20 -0.81 -0.95 115.11 118.13 2kuf h GLN 509 Ca 0.16 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 2kuf h GLN 509 Cb 0.13 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2kuf h GLN 509 CO -0.02 0.50 -0.05 1.57 -0.67 0.00 0.00 178.83 180.17 2kuf h LYS 510 N 0.23 0.78 -0.25 1.46 5.09 -0.80 0.45 116.57 123.53 2kuf h LYS 510 Ca 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.59 2kuf h LYS 510 Cb 0.28 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.51 2kuf h LYS 510 CO 0.00 0.81 0.16 -0.91 -2.09 0.00 0.00 179.45 177.42 2kuf h ASN 511 N 0.72 0.30 -0.26 7.07 4.21 -0.51 -0.58 115.58 126.52 2kuf h ASN 511 Ca 0.13 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.48 2kuf h ASN 511 Cb 0.50 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 2kuf h ASN 511 CO 0.03 0.25 -0.29 0.25 -1.29 0.00 0.00 177.43 176.37 2kuf h LEU 512 N 0.33 0.79 -1.56 1.61 7.12 -0.88 -3.08 115.31 119.64 2kuf h LEU 512 Ca 0.09 -0.31 0.01 0.00 0.13 0.00 0.00 57.88 57.80 2kuf h LEU 512 Cb -0.00 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 2kuf h LEU 512 CO -0.02 1.03 0.31 -1.13 -0.13 0.00 0.00 178.44 178.50 2kuf h ASN 513 N 0.65 0.51 -0.43 1.25 -0.73 0.57 0.36 115.58 117.76 2kuf h ASN 513 Ca 0.08 -0.01 0.10 0.00 1.87 0.00 0.00 56.30 58.33 2kuf h ASN 513 Cb 0.82 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 2kuf h ASN 513 CO 0.07 0.37 0.30 0.58 -0.37 0.00 0.00 177.43 178.38 2kuf h VAL 514 N 0.60 0.86 -0.14 2.57 2.07 -1.03 0.22 116.25 121.40 2kuf h VAL 514 Ca 0.17 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2kuf h VAL 514 Cb -0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2kuf h VAL 514 CO -0.04 0.03 0.00 -1.22 0.02 0.00 0.00 177.57 176.36 2kuf n TYR 515 N -4.45 0.18 0.06 1.57 4.01 -0.09 -4.82 117.16 113.61 2kuf n TYR 515 Ca 0.07 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2kuf n TYR 515 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.25 -0.07 2.67 2.72 0.00 0.11 -5.00 105.19 105.87 2kuf n GLY 516 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.29 -1.43 -2.23 1.61 3.72 0.60 -4.98 117.46 111.47 2kuf n PHE 517 Ca 0.00 0.26 -0.22 0.00 -0.05 0.00 0.00 57.45 57.43 2kuf n PHE 517 Cb 0.00 -4.10 0.14 0.00 -0.94 0.00 0.00 39.48 34.57 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 -4.25 0.00 -4.36 4.37 -2.24 -1.26 -5.06 114.28 101.48 2kuf n THR 518 Ca -0.17 -1.14 -0.33 0.00 -2.27 0.00 0.00 64.05 60.14 2kuf n THR 518 Cb 0.65 -1.23 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -5.08 2.80 0.06 -0.78 3.01 -1.24 -5.01 119.74 113.49 2kuf s LYS 519 Ca 0.61 -0.57 0.07 0.00 -1.01 0.00 0.00 55.97 55.07 2kuf s LYS 519 Cb -0.03 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.10 2kuf s LYS 519 CO 0.41 0.64 -0.20 -0.06 0.51 0.00 0.00 175.35 176.66 2kuf s PHE 520 N -1.00 1.75 -0.00 3.18 0.08 -1.26 -0.23 117.98 120.49 2kuf s PHE 520 Ca 0.17 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.89 2kuf s PHE 520 Cb -0.11 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2kuf s PHE 520 CO 0.07 0.11 -0.17 -1.54 -0.10 0.00 0.00 175.22 173.59 2kuf s SER 521 N -1.34 2.02 -0.10 1.36 1.04 0.59 -4.86 113.70 112.41 2kuf s SER 521 Ca 0.07 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2kuf s SER 521 Cb -0.09 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.84 2kuf s SER 521 CO 0.02 0.19 -0.08 0.00 0.98 0.00 0.00 173.24 174.35 2kuf s GLN 522 N -0.55 1.51 -0.15 4.02 -2.07 -1.26 -0.14 119.66 121.02 2kuf s GLN 522 Ca 0.06 -0.27 0.01 0.00 -1.82 0.00 0.00 55.36 53.34 2kuf s GLN 522 Cb -0.07 -1.50 0.00 0.00 -1.09 0.00 0.00 33.01 30.35 2kuf s GLN 522 CO -0.00 -0.20 -0.19 0.00 -1.32 0.00 0.00 175.29 173.59 2kuf s ALA 523 N 1.46 2.38 -0.05 2.60 0.00 0.26 -4.96 121.76 123.44 2kuf s ALA 523 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 2kuf s ALA 523 Cb -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2kuf s ALA 523 CO -0.05 -0.03 0.73 -1.12 0.00 0.00 0.00 175.76 175.30 2kuf s SER 524 N 0.81 7.05 0.11 0.00 0.01 -1.26 -0.31 113.70 120.10 2kuf s SER 524 Ca -0.06 1.26 0.10 0.00 1.31 0.00 0.00 55.95 58.56 2kuf s SER 524 Cb -0.15 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kuf s SER 524 CO -0.01 -0.12 -0.26 0.54 0.41 0.00 0.00 173.24 173.81 2kuf s VAL 525 N 0.73 2.13 0.12 3.43 0.11 0.12 -4.90 120.40 122.14 2kuf s VAL 525 Ca 0.39 -1.66 -0.29 0.00 -2.93 0.00 0.00 61.98 57.49 2kuf s VAL 525 Cb -0.18 -1.88 -0.06 0.00 -1.53 0.00 0.00 36.38 32.72 2kuf s VAL 525 CO 0.20 0.10 0.93 1.51 -3.33 0.00 0.00 175.10 174.51 2kuf s ASP 526 N -1.90 7.48 0.22 3.54 -4.77 -1.26 -0.17 116.67 119.81 2kuf s ASP 526 Ca 0.12 1.77 -0.22 0.00 -3.30 0.00 0.00 52.55 50.93 2kuf s ASP 526 Cb -0.10 -2.58 0.04 0.00 -1.09 0.00 0.00 42.92 39.20 2kuf s ASP 526 CO 0.05 -0.02 0.66 -0.44 0.70 0.00 0.00 175.17 176.12 2kuf s SER 527 N -0.19 -0.40 0.00 2.11 0.01 -0.48 -4.86 113.70 109.90 2kuf s SER 527 Ca 0.45 -0.33 0.17 0.00 1.31 0.00 0.00 55.95 57.55 2kuf s SER 527 Cb -0.23 0.66 0.79 0.00 0.21 0.00 0.00 66.02 67.45 2kuf s SER 527 CO 0.29 -1.16 1.53 -2.65 0.41 0.00 0.00 173.24 171.66 2kuf n PRO 528 N -0.42 0.11 -2.85 12.44 -0.02 -1.26 -4.00 135.00 139.00 2kuf n PRO 528 Ca -0.10 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 2kuf n PRO 528 Cb 0.62 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 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 -2.81 4.65 0.74 -0.52 0.52 -1.26 -4.90 118.95 115.37 2kuf s ARG 529 Ca 0.12 1.30 -0.15 0.00 -0.52 0.00 0.00 55.73 56.48 2kuf s ARG 529 Cb 0.11 -3.10 0.04 0.00 0.52 0.00 0.00 34.95 32.53 2kuf s ARG 529 CO 0.29 0.45 1.24 -1.25 0.02 0.00 0.00 175.30 176.05 2kuf s PRO 530 N -1.50 2.02 -0.44 3.54 0.04 -1.26 -2.28 135.00 135.12 2kuf s PRO 530 Ca 0.43 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 2kuf s PRO 530 Cb -0.22 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2kuf s PRO 530 CO 0.27 -1.96 1.84 0.00 0.04 0.00 0.00 177.00 177.20 2kuf s ALA 531 N -1.86 2.57 0.00 8.56 0.00 -1.21 -2.18 121.76 127.64 2kuf s ALA 531 Ca 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2kuf s ALA 531 Cb -0.32 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2kuf s ALA 531 CO 0.46 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.48 2kuf n GLY 532 N 5.54 0.89 3.71 0.00 0.00 -0.78 -4.91 105.19 109.64 2kuf n GLY 532 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 4.54 -0.28 1.61 2.12 -0.92 -0.37 118.70 125.39 2kuf s GLU 533 Ca 0.00 1.31 -0.28 0.00 0.36 0.00 0.00 54.97 56.36 2kuf s GLU 533 Cb 0.00 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.94 2kuf s GLU 533 CO 0.00 -0.02 1.00 0.54 -0.54 0.00 0.00 175.26 176.24 2kuf s VAL 534 N 0.96 4.63 -0.57 3.70 0.11 -0.42 -0.40 120.40 128.41 2kuf s VAL 534 Ca 0.49 1.74 0.24 0.00 -2.93 0.00 0.00 61.98 61.53 2kuf s VAL 534 Cb -0.20 -4.32 0.32 0.00 -1.53 0.00 0.00 36.38 30.64 2kuf s VAL 534 CO 0.26 -0.31 1.68 0.74 -3.33 0.00 0.00 175.10 174.13 2kuf h THR 535 N 5.59 0.00 0.00 5.04 2.02 -0.58 -2.17 112.91 122.81 2kuf h THR 535 Ca -0.21 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.20 2kuf h THR 535 Cb 1.07 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 2kuf h THR 535 CO 0.98 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.48 2kuf n GLY 536 N 1.19 0.98 3.52 2.16 0.00 -1.15 -4.73 105.19 107.16 2kuf n GLY 536 Ca 0.05 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.68 2.81 0.01 2.61 -4.23 -1.26 -0.14 115.64 112.76 2kuf s THR 537 Ca 0.00 -2.09 -0.25 0.00 -1.18 0.00 0.00 61.69 58.17 2kuf s THR 537 Cb 0.00 -2.44 -0.17 0.00 1.34 0.00 0.00 72.50 71.23 2kuf s THR 537 CO 0.00 -0.29 1.25 -1.13 -0.54 0.00 0.00 174.62 173.91 2kuf h ASN 538 N 2.47 -0.35 -3.77 3.99 -0.00 -1.80 -3.42 115.58 112.70 2kuf h ASN 538 Ca -0.43 -0.17 -0.52 0.00 -0.00 0.00 0.00 56.30 55.18 2kuf h ASN 538 Cb 1.24 0.09 0.05 0.00 -0.00 0.00 0.00 38.32 39.70 2kuf h ASN 538 CO 0.57 0.00 0.63 -2.16 -0.00 0.00 0.00 177.43 176.47 2kuf s PRO 539 N -4.72 4.38 0.76 6.67 0.04 -1.26 -5.00 135.00 135.88 2kuf s PRO 539 Ca -0.14 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2kuf s PRO 539 Cb 0.02 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.51 2kuf s PRO 539 CO 0.55 -0.17 1.19 -2.14 0.04 0.00 0.00 177.00 176.46 2kuf s PRO 540 N -1.42 2.00 0.24 0.56 0.02 -1.26 -4.93 135.00 130.21 2kuf s PRO 540 Ca 0.50 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 2kuf s PRO 540 Cb -0.39 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.21 2kuf s PRO 540 CO 0.49 -1.92 1.43 0.00 -0.33 0.00 0.00 177.00 176.67 2kuf s ALA 541 N -2.15 3.62 0.00 -1.55 0.00 -1.26 -2.16 121.76 118.26 2kuf s ALA 541 Ca 0.72 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2kuf s ALA 541 Cb -0.27 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2kuf s ALA 541 CO 0.48 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kuf n GLY 542 N 2.32 0.24 3.76 0.00 0.00 0.13 -4.96 105.19 106.68 2kuf n GLY 542 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 543 N -2.00 4.89 0.04 2.61 2.01 -0.92 -4.82 115.64 117.46 2kuf s THR 543 Ca 0.00 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.98 2kuf s THR 543 Cb 0.00 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2kuf s THR 543 CO 0.00 0.42 0.87 0.28 -0.69 0.00 0.00 174.62 175.50 2kuf s THR 544 N -0.24 4.73 0.19 -0.82 -1.32 -1.26 -1.60 115.64 115.33 2kuf s THR 544 Ca 0.31 1.84 0.09 0.00 -1.21 0.00 0.00 61.69 62.73 2kuf s THR 544 Cb -0.18 -4.22 -0.04 0.00 -1.51 0.00 0.00 72.50 66.55 2kuf s THR 544 CO 0.17 0.29 -0.19 0.68 -2.21 0.00 0.00 174.62 173.36 2kuf s VAL 545 N 0.31 2.00 0.20 5.08 -7.23 0.70 -4.87 120.40 116.60 2kuf s VAL 545 Ca 0.44 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 2kuf s VAL 545 Cb -0.21 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 2kuf s VAL 545 CO 0.26 -0.33 1.24 -2.84 -0.31 0.00 0.00 175.10 173.12 2kuf s PRO 546 N -3.00 4.45 0.53 4.82 0.02 -1.26 -0.29 135.00 140.28 2kuf s PRO 546 Ca 0.20 1.96 0.31 0.00 0.02 0.00 0.00 61.00 63.49 2kuf s PRO 546 Cb -0.05 -3.21 1.43 0.00 0.02 0.00 0.00 34.50 32.69 2kuf s PRO 546 CO 0.08 -0.14 2.02 -0.24 -0.33 0.00 0.00 177.00 178.40 2kuf h VAL 547 N 3.67 0.29 0.00 3.83 3.04 -0.66 -1.95 116.25 124.46 2kuf h VAL 547 Ca -0.45 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 2kuf h VAL 547 Cb 1.21 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2kuf h VAL 547 CO 0.75 0.08 0.00 -0.78 -1.01 0.00 0.00 177.57 176.61 2kuf h ASP 548 N 0.00 0.00 -3.22 3.17 3.58 -1.90 -3.41 116.42 114.65 2kuf h ASP 548 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kuf h ASP 548 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kuf h ASP 548 CO 0.01 0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 176.13 2kuf n SER 549 N -2.80 0.21 -4.37 2.28 2.88 -0.73 -4.98 113.62 106.10 2kuf n SER 549 Ca 0.05 -0.66 -0.32 0.00 -1.33 0.00 0.00 58.87 56.61 2kuf n SER 549 Cb 0.49 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.80 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuf s VAL 550 N 1.17 2.55 0.06 2.46 0.11 -1.26 -3.70 120.40 121.78 2kuf s VAL 550 Ca 0.00 -0.90 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 2kuf s VAL 550 Cb 0.00 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.82 2kuf s VAL 550 CO 0.00 0.58 0.48 -0.63 -3.33 0.00 0.00 175.10 172.19 2kuf s ILE 551 N -0.43 4.92 -0.31 7.04 1.01 0.67 -4.90 121.20 129.21 2kuf s ILE 551 Ca 0.05 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.50 2kuf s ILE 551 Cb -0.12 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2kuf s ILE 551 CO 0.02 0.48 0.18 -0.70 0.00 0.00 0.00 174.94 174.92 2kuf s GLU 552 N -1.33 3.55 -0.24 2.79 2.56 -1.26 -0.30 118.70 124.47 2kuf s GLU 552 Ca 0.29 -0.59 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 2kuf s GLU 552 Cb -0.17 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.30 2kuf s GLU 552 CO 0.16 -0.35 0.05 -0.51 -0.56 0.00 0.00 175.26 174.06 2kuf s LEU 553 N 1.68 3.39 -0.20 2.70 2.01 0.81 -2.04 118.68 127.02 2kuf s LEU 553 Ca 0.06 -0.21 -0.22 0.00 0.01 0.00 0.00 54.13 53.78 2kuf s LEU 553 Cb -0.17 -1.90 -0.02 0.00 0.01 0.00 0.00 46.19 44.11 2kuf s LEU 553 CO 0.08 -0.01 0.67 -1.10 1.01 0.00 0.00 176.35 177.00 2kuf s GLN 554 N 1.46 4.21 -0.11 1.70 1.11 0.80 -0.58 119.66 128.25 2kuf s GLN 554 Ca 0.05 0.68 -0.01 0.00 0.01 0.00 0.00 55.36 56.09 2kuf s GLN 554 Cb -0.15 -3.59 -0.03 0.00 -1.01 0.00 0.00 33.01 28.23 2kuf s GLN 554 CO 0.03 -0.29 -0.06 0.08 0.01 0.00 0.00 175.29 175.05 2kuf s VAL 555 N 2.09 3.72 0.01 1.09 1.01 0.57 0.19 120.40 129.08 2kuf s VAL 555 Ca 0.30 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 2kuf s VAL 555 Cb -0.16 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2kuf s VAL 555 CO 0.10 0.55 0.91 -0.44 0.00 0.00 0.00 175.10 176.22 2kuf s SER 556 N -0.19 7.31 -0.18 3.32 0.01 0.46 0.14 113.70 124.57 2kuf s SER 556 Ca 0.03 1.58 -0.10 0.00 1.31 0.00 0.00 55.95 58.77 2kuf s SER 556 Cb -0.13 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2kuf s SER 556 CO 0.03 -0.18 0.14 -1.59 0.41 0.00 0.00 173.24 172.05 2kuf s LYS 557 N 0.73 4.06 0.58 12.44 -2.85 0.76 -1.86 119.74 133.60 2kuf s LYS 557 Ca 0.47 -0.18 0.27 0.00 -1.00 0.00 0.00 55.97 55.54 2kuf s LYS 557 Cb -0.21 -3.38 1.73 0.00 -2.06 0.00 0.00 37.83 33.91 2kuf s LYS 557 CO 0.26 0.38 2.23 0.78 0.10 0.00 0.00 175.35 179.11 2kuf h GLY 558 N 6.37 0.00 0.00 0.59 0.00 -1.59 -1.27 103.07 107.17 2kuf h GLY 558 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kuf h GLY 558 CO 0.73 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.26 2kuf n ASN 559 N -3.95 0.00 -4.53 0.19 2.85 -1.26 -4.44 115.26 104.12 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 0.09 -0.39 -0.11 0.00 1.24 0.00 0.00 39.78 40.60 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 2.36 0.07 1.20 -0.21 -1.26 -0.57 119.66 121.26 2kuf s GLN 560 Ca 0.00 -0.82 0.08 0.00 0.02 0.00 0.00 55.36 54.64 2kuf s GLN 560 Cb 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 2kuf s GLN 560 CO 0.00 0.58 -0.23 -0.59 -2.12 0.00 0.00 175.29 172.93 2kuf s PHE 561 N -0.95 1.96 -0.13 0.91 -0.71 -0.17 -4.80 117.98 114.09 2kuf s PHE 561 Ca 0.16 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.36 2kuf s PHE 561 Cb -0.11 -1.13 -0.04 0.00 -1.21 0.00 0.00 43.02 40.53 2kuf s PHE 561 CO 0.06 0.16 1.60 0.54 -1.34 0.00 0.00 175.22 176.24 2kuf s VAL 562 N -0.92 3.70 -0.22 -2.49 0.11 -1.26 -0.61 120.40 118.70 2kuf s VAL 562 Ca 0.09 0.82 -0.28 0.00 -2.93 0.00 0.00 61.98 59.68 2kuf s VAL 562 Cb -0.09 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 2kuf s VAL 562 CO 0.03 -0.15 0.99 -0.32 -3.33 0.00 0.00 175.10 172.31 2kuf s MET 563 N 4.25 4.26 1.09 1.54 1.75 0.02 -4.93 119.30 127.27 2kuf s MET 563 Ca 0.71 1.27 -0.13 0.00 -1.25 0.00 0.00 55.69 56.29 2kuf s MET 563 Cb -0.29 -3.63 0.24 0.00 2.84 0.00 0.00 34.83 33.99 2kuf s MET 563 CO 0.28 -0.58 1.06 -2.14 -0.65 0.00 0.00 175.02 172.99 2kuf s PRO 564 N 3.01 -0.31 -0.15 4.11 0.02 -1.26 -0.20 135.00 140.22 2kuf s PRO 564 Ca 0.42 0.64 -0.29 0.00 0.02 0.00 0.00 61.00 61.79 2kuf s PRO 564 Cb -0.15 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 2kuf s PRO 564 CO 0.07 -3.26 1.81 0.16 -0.33 0.00 0.00 177.00 175.46 2kuf s ASP 565 N -3.02 6.23 0.00 2.53 -4.77 -1.26 -4.62 116.67 111.77 2kuf s ASP 565 Ca 0.67 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.87 2kuf s ASP 565 Cb -0.22 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 2kuf s ASP 565 CO 0.61 -1.33 0.53 0.00 0.70 0.00 0.00 175.17 175.68 2kuf n LEU 566 N 8.79 0.70 -4.77 2.11 -0.00 -1.26 -5.07 117.00 117.50 2kuf n LEU 566 Ca 0.21 -0.70 -0.39 0.00 -0.00 0.00 0.00 56.01 55.14 2kuf n LEU 566 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 2kuf n LEU 566 CO 0.65 0.17 0.65 -0.44 -0.00 0.00 0.00 177.39 178.43 2kuf s SER 567 N -0.27 7.50 0.00 1.45 0.01 -1.26 -4.21 113.70 116.92 2kuf s SER 567 Ca 0.00 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2kuf s SER 567 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2kuf s SER 567 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2kuf n GLY 568 N 1.05 0.54 1.70 3.44 0.00 -1.26 -5.07 105.19 105.58 2kuf n GLY 568 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 2kuf n GLY 568 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kuf n MET 569 N -0.88 0.41 -2.98 1.61 0.00 -1.26 -4.92 117.12 109.11 2kuf n MET 569 Ca 0.00 -1.27 -0.21 0.00 0.00 0.00 0.00 57.70 56.22 2kuf n MET 569 Cb 0.48 1.32 0.02 0.00 0.00 0.00 0.00 33.22 35.04 2kuf n MET 569 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kuf s PHE 570 N -4.56 3.06 0.38 3.17 0.08 -1.26 -0.12 117.98 118.74 2kuf s PHE 570 Ca 0.12 0.02 0.15 0.00 0.12 0.00 0.00 56.93 57.35 2kuf s PHE 570 Cb -0.01 -2.39 0.87 0.00 -0.57 0.00 0.00 43.02 40.93 2kuf s PHE 570 CO 0.09 -0.45 1.89 2.35 -0.10 0.00 0.00 175.22 179.00 2kuf h TRP 571 N 0.42 0.00 0.00 0.36 2.91 -1.94 0.09 115.95 117.79 2kuf h TRP 571 Ca -0.44 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.58 2kuf h TRP 571 Cb 1.27 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 2kuf h TRP 571 CO 0.42 0.30 0.00 1.55 -1.03 0.00 0.00 178.44 179.68 2kuf n VAL 572 N -4.05 0.67 -0.09 2.65 3.14 -1.26 -1.76 118.33 117.63 2kuf n VAL 572 Ca -0.02 0.09 -0.08 0.00 -2.96 0.00 0.00 64.34 61.37 2kuf n VAL 572 Cb 0.36 -0.87 -0.15 0.00 -1.06 0.00 0.00 33.84 32.12 2kuf n VAL 572 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kuf n ASP 573 N -1.88 0.37 -0.05 6.55 8.00 -0.55 -4.45 116.55 124.54 2kuf n ASP 573 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.44 2kuf n ASP 573 Cb 0.27 1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 42.34 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 0.97 0.25 -0.08 2.24 0.00 -0.29 -1.98 119.26 120.37 2kuf h ALA 574 Ca -0.48 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2kuf h ALA 574 Cb 2.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 2kuf h ALA 574 CO 0.03 -0.19 -0.14 0.93 0.00 0.00 0.00 179.25 179.88 2kuf h GLU 575 N 0.18 -0.18 -0.87 0.00 5.08 -1.58 0.31 114.58 117.52 2kuf h GLU 575 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2kuf h GLU 575 Cb 0.12 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2kuf h GLU 575 CO -0.01 -0.12 0.46 -1.35 -1.00 0.00 0.00 179.01 176.99 2kuf h PRO 576 N -0.19 1.23 -0.91 2.33 0.11 -1.77 -2.95 132.00 129.85 2kuf h PRO 576 Ca 0.08 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2kuf h PRO 576 Cb 0.30 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 2kuf h PRO 576 CO -0.20 0.91 0.55 0.00 -0.21 0.00 0.00 178.00 179.06 2kuf h ARG 577 N 1.22 1.22 -0.22 1.05 2.47 -0.87 -0.64 114.38 118.62 2kuf h ARG 577 Ca 0.30 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.89 2kuf h ARG 577 Cb 0.06 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2kuf h ARG 577 CO -0.05 0.85 0.01 1.37 0.56 0.00 0.00 179.97 182.71 2kuf h LEU 578 N 1.24 0.37 -0.87 3.04 8.10 -0.83 0.12 115.31 126.49 2kuf h LEU 578 Ca 0.33 -0.30 -0.09 0.00 0.11 0.00 0.00 57.88 57.92 2kuf h LEU 578 Cb -0.06 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.04 2kuf h LEU 578 CO -0.06 0.57 -0.17 0.08 -4.11 0.00 0.00 178.44 174.75 2kuf h ARG 579 N 0.15 0.65 -0.02 0.17 0.11 -1.38 0.13 114.38 114.18 2kuf h ARG 579 Ca 0.06 -0.23 -0.11 0.00 0.10 0.00 0.00 59.98 59.80 2kuf h ARG 579 Cb 0.38 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2kuf h ARG 579 CO 0.01 0.79 -0.50 0.00 0.10 0.00 0.00 179.97 180.37 2kuf h ALA 580 N 1.23 1.13 -0.00 0.08 0.00 -0.84 -1.87 119.26 118.98 2kuf h ALA 580 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kuf h ALA 580 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kuf h ALA 580 CO 0.04 0.63 -0.07 -0.11 0.00 0.00 0.00 179.25 179.75 2kuf n LEU 581 N -3.95 0.08 -0.37 0.00 7.94 0.41 -4.91 117.00 116.20 2kuf n LEU 581 Ca -0.02 0.42 -0.04 0.00 -1.11 0.00 0.00 56.01 55.26 2kuf n LEU 581 Cb 0.52 -0.45 -0.01 0.00 0.53 0.00 0.00 43.42 44.01 2kuf n LEU 581 CO 0.41 0.02 -0.04 0.61 -1.11 0.00 0.00 177.39 177.28 2kuf n GLY 582 N 1.49 0.36 3.69 -3.96 0.00 -0.52 -5.01 105.19 101.24 2kuf n GLY 582 Ca 0.07 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -2.17 3.47 -0.70 1.61 -0.00 0.33 -4.94 118.94 116.54 2kuf s TRP 583 Ca 0.00 1.12 0.06 0.00 -0.00 0.00 0.00 56.10 57.28 2kuf s TRP 583 Cb 0.00 -2.83 0.05 0.00 -0.00 0.00 0.00 33.47 30.69 2kuf s TRP 583 CO 0.00 -0.06 0.70 0.25 -0.00 0.00 0.00 176.95 177.84 2kuf n THR 584 N 4.27 0.05 -1.49 5.86 -2.24 -1.26 -4.34 114.28 115.14 2kuf n THR 584 Ca -0.00 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 2kuf n THR 584 Cb 0.50 1.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.90 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 585 N 0.31 -1.04 3.90 3.38 0.00 -1.09 -5.07 105.19 105.58 2kuf n GLY 585 Ca 0.03 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.07 3.41 -0.22 1.61 -1.94 -1.26 -5.01 119.30 111.82 2kuf s MET 586 Ca 0.29 -0.39 -0.19 0.00 -1.71 0.00 0.00 55.69 53.70 2kuf s MET 586 Cb -0.01 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 2kuf s MET 586 CO 0.21 0.64 0.53 -1.17 -0.01 0.00 0.00 175.02 175.22 2kuf s LEU 587 N -2.19 4.11 -0.28 -0.03 0.20 -1.26 -4.32 118.68 114.91 2kuf s LEU 587 Ca 0.31 0.64 -0.12 0.00 0.69 0.00 0.00 54.13 55.64 2kuf s LEU 587 Cb -0.13 -2.72 -0.05 0.00 -0.43 0.00 0.00 46.19 42.87 2kuf s LEU 587 CO 0.23 -0.24 0.25 -0.62 -0.29 0.00 0.00 176.35 175.68 2kuf s ASP 588 N 1.30 6.09 -0.10 3.68 2.15 -0.72 -5.04 116.67 124.03 2kuf s ASP 588 Ca 0.24 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.29 2kuf s ASP 588 Cb -0.15 -2.15 -0.02 0.00 -0.30 0.00 0.00 42.92 40.29 2kuf s ASP 588 CO 0.09 -0.10 -0.09 -1.59 -0.17 0.00 0.00 175.17 173.31 2kuf s LYS 589 N 1.86 3.08 0.00 4.34 0.00 -1.26 -0.54 119.74 127.21 2kuf s LYS 589 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 55.97 55.46 2kuf s LYS 589 Cb -0.16 -2.63 0.00 0.00 0.00 0.00 0.00 37.83 35.04 2kuf s LYS 589 CO 0.11 0.44 0.03 0.41 0.00 0.00 0.00 175.35 176.34 2kuf n GLY 590 N 2.88 0.30 3.03 0.59 0.00 0.95 -4.91 105.19 108.03 2kuf n GLY 590 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2kuf n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kuf s ALA 591 N -3.30 0.31 -0.18 4.61 0.00 -1.26 -5.06 121.76 116.89 2kuf s ALA 591 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 2kuf s ALA 591 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2kuf s ALA 591 CO 0.00 -0.24 0.12 0.16 0.00 0.00 0.00 175.76 175.81 2kuf s ASP 592 N -2.07 6.18 -0.10 0.00 1.47 -1.26 -3.07 116.67 117.82 2kuf s ASP 592 Ca -0.06 0.27 -0.03 0.00 1.18 0.00 0.00 52.55 53.90 2kuf s ASP 592 Cb -0.03 -2.06 -0.04 0.00 -0.34 0.00 0.00 42.92 40.46 2kuf s ASP 592 CO -0.04 0.24 0.04 -0.69 0.68 0.00 0.00 175.17 175.39 2kuf s VAL 593 N 0.01 4.62 -0.35 2.11 1.01 -0.77 -4.82 120.40 122.22 2kuf s VAL 593 Ca 0.09 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2kuf s VAL 593 Cb -0.11 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2kuf s VAL 593 CO -0.00 0.60 1.59 1.51 0.00 0.00 0.00 175.10 178.79 2kuf s ASP 594 N -0.81 6.18 -0.04 3.32 -4.77 -1.26 0.01 116.67 119.31 2kuf s ASP 594 Ca 0.13 1.14 -0.06 0.00 -3.30 0.00 0.00 52.55 50.46 2kuf s ASP 594 Cb -0.12 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2kuf s ASP 594 CO 0.03 -1.50 -0.12 0.00 0.70 0.00 0.00 175.17 174.28 2kuf n ALA 595 N 9.28 2.33 0.00 2.11 0.00 -0.01 -4.88 120.51 129.34 2kuf n ALA 595 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kuf n ALA 595 Cb 0.47 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.64 4.90 0.33 0.00 0.00 0.13 -4.86 105.19 108.34 2kuf n GLY 596 Ca -0.11 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.93 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 0.87 2.00 -0.02 0.00 -1.94 -0.69 103.07 103.29 2kuf h GLY 597 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2kuf h GLY 597 CO 0.00 0.31 -0.17 1.76 0.00 0.00 0.00 176.54 178.44 2kuf h SER 598 N 0.82 0.00 0.46 0.19 0.02 -1.95 -2.14 113.55 110.95 2kuf h SER 598 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2kuf h SER 598 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2kuf h SER 598 CO -0.05 0.17 -0.82 0.00 -1.14 0.00 0.00 176.83 174.99 2kuf n GLN 599 N -3.57 0.17 -1.03 3.45 6.02 -0.33 -5.06 117.38 117.03 2kuf n GLN 599 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kuf n GLN 599 Cb 0.31 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.79 -2.83 -2.45 1.08 8.25 -0.80 -4.74 115.22 111.95 2kuf n HIS 600 Ca 0.03 1.52 -0.38 0.00 -0.26 0.00 0.00 57.72 58.64 2kuf n HIS 600 Cb 0.39 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.90 2kuf n HIS 600 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kuf s ASN 601 N -3.87 6.21 0.14 0.41 2.20 -1.26 -4.74 114.94 114.03 2kuf s ASN 601 Ca 0.00 -1.36 0.03 0.00 -0.94 0.00 0.00 52.86 50.59 2kuf s ASN 601 Cb 0.00 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 2kuf s ASN 601 CO 0.00 -1.77 0.25 -0.13 -2.94 0.00 0.00 177.10 172.50 2kuf s ARG 602 N 5.38 3.33 0.37 3.55 0.52 -1.26 -3.49 118.95 127.36 2kuf s ARG 602 Ca 0.52 -0.63 -0.27 0.00 -0.52 0.00 0.00 55.73 54.83 2kuf s ARG 602 Cb -0.01 -2.91 -0.09 0.00 0.52 0.00 0.00 34.95 32.46 2kuf s ARG 602 CO -0.06 0.52 1.26 0.54 0.02 0.00 0.00 175.30 177.58 2kuf s VAL 603 N -1.71 2.84 -0.23 3.52 0.11 0.83 -0.25 120.40 125.51 2kuf s VAL 603 Ca 0.34 0.78 -0.16 0.00 -2.93 0.00 0.00 61.98 60.01 2kuf s VAL 603 Cb -0.11 -3.47 -0.10 0.00 -1.53 0.00 0.00 36.38 31.17 2kuf s VAL 603 CO 0.27 0.13 -0.29 0.52 -3.33 0.00 0.00 175.10 172.40 2kuf n VAL 604 N 0.40 1.51 -3.77 2.04 0.31 0.04 -4.55 118.33 114.32 2kuf n VAL 604 Ca 0.02 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 2kuf n VAL 604 Cb 0.44 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 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 -2.62 -0.24 -0.03 3.52 5.04 -0.98 -4.95 117.35 117.09 2kuf s TYR 605 Ca -0.33 0.50 0.04 0.00 -2.44 0.00 0.00 57.07 54.83 2kuf s TYR 605 Cb 0.10 0.10 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 2kuf s TYR 605 CO 0.46 -0.29 -0.13 1.14 -1.34 0.00 0.00 175.55 175.39 2kuf s GLN 606 N -0.68 1.32 0.11 4.97 -2.07 -1.26 -0.38 119.66 121.67 2kuf s GLN 606 Ca -0.08 -0.46 -0.26 0.00 -1.82 0.00 0.00 55.36 52.74 2kuf s GLN 606 Cb -0.04 -1.20 -0.08 0.00 -1.09 0.00 0.00 33.01 30.60 2kuf s GLN 606 CO 0.02 0.20 1.64 -0.97 -1.32 0.00 0.00 175.29 174.86 2kuf h ASN 607 N 6.24 -0.70 -3.36 12.60 -1.24 -1.48 -3.35 115.58 124.30 2kuf h ASN 607 Ca -0.33 0.08 -0.62 0.00 0.71 0.00 0.00 56.30 56.14 2kuf h ASN 607 Cb 1.17 0.27 -0.13 0.00 0.73 0.00 0.00 38.32 40.36 2kuf h ASN 607 CO 0.48 -0.33 0.45 -2.16 -1.29 0.00 0.00 177.43 174.59 2kuf s PRO 608 N -6.07 3.34 0.77 6.67 0.05 -1.26 -5.05 135.00 133.45 2kuf s PRO 608 Ca -0.15 -0.26 -0.11 0.00 0.05 0.00 0.00 61.00 60.53 2kuf s PRO 608 Cb 0.08 -4.02 0.05 0.00 0.05 0.00 0.00 34.50 30.67 2kuf s PRO 608 CO 0.65 -1.34 1.08 -1.25 0.05 0.00 0.00 177.00 176.20 2kuf s PRO 609 N 3.60 2.30 0.19 0.56 0.04 -1.26 -4.95 135.00 135.49 2kuf s PRO 609 Ca 0.29 1.05 -0.32 0.00 0.04 0.00 0.00 61.00 62.06 2kuf s PRO 609 Cb -0.13 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2kuf s PRO 609 CO 0.20 -1.58 1.67 0.00 0.04 0.00 0.00 177.00 177.33 2kuf s ALA 610 N -2.95 3.88 0.00 8.56 0.00 -1.26 -2.19 121.76 127.80 2kuf s ALA 610 Ca 0.61 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2kuf s ALA 610 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2kuf s ALA 610 CO 0.56 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2kuf n GLY 611 N 3.88 0.56 3.94 0.00 0.00 0.72 -4.93 105.19 109.36 2kuf n GLY 611 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kuf s THR 612 N -2.00 4.37 -0.09 2.61 -1.32 -0.93 -4.75 115.64 113.53 2kuf s THR 612 Ca 0.00 -1.11 -0.25 0.00 -1.21 0.00 0.00 61.69 59.12 2kuf s THR 612 Cb 0.00 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.46 2kuf s THR 612 CO 0.00 -0.24 0.77 -0.83 -2.21 0.00 0.00 174.62 172.12 2kuf s GLY 613 N -4.04 2.48 -0.03 6.08 0.00 -1.26 -0.80 107.32 109.75 2kuf s GLY 613 Ca 0.39 0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.29 2kuf s GLY 613 CO 0.29 1.40 -0.10 -1.34 0.00 0.00 0.00 173.10 173.35 2kuf s VAL 614 N 1.28 3.44 1.27 1.40 -7.23 0.22 -4.79 120.40 115.99 2kuf s VAL 614 Ca 0.39 -0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 59.69 2kuf s VAL 614 Cb -0.18 -2.42 0.28 0.00 0.56 0.00 0.00 36.38 34.62 2kuf s VAL 614 CO 0.17 0.52 0.66 -0.46 -0.31 0.00 0.00 175.10 175.68 2kuf n ASN 615 N 1.99 -3.21 0.16 4.85 6.94 -1.26 -0.99 115.26 123.73 2kuf n ASN 615 Ca -0.17 -0.53 0.16 0.00 -0.02 0.00 0.00 54.58 54.02 2kuf n ASN 615 Cb 0.53 -0.99 0.74 0.00 -2.36 0.00 0.00 39.78 37.70 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 -3.05 0.00 -0.01 -3.83 0.11 -1.22 0.33 114.38 106.71 2kuf h ARG 616 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 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 0.29 0.00 -0.44 -0.25 0.10 0.00 0.00 179.97 179.68 2kuf n ASP 617 N -4.15 1.27 -0.88 0.08 9.92 -1.26 -4.83 116.55 116.69 2kuf n ASP 617 Ca 0.03 -1.01 -0.12 0.00 -0.53 0.00 0.00 54.79 53.16 2kuf n ASP 617 Cb 0.35 0.35 -0.05 0.00 -0.64 0.00 0.00 41.12 41.13 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 1.40 1.22 3.66 0.44 0.00 0.12 -2.68 105.19 109.34 2kuf n GLY 618 Ca 0.10 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.28 3.84 -0.06 -0.61 -1.16 -1.26 -4.86 121.20 114.81 2kuf s ILE 619 Ca 0.00 1.00 0.05 0.00 -0.51 0.00 0.00 60.65 61.20 2kuf s ILE 619 Cb 0.00 -3.68 -0.01 0.00 0.61 0.00 0.00 42.46 39.38 2kuf s ILE 619 CO 0.00 -0.12 -0.22 0.27 -2.81 0.00 0.00 174.94 172.06 2kuf s ILE 620 N 4.02 1.83 -0.17 2.00 -4.36 -1.26 -4.86 121.20 118.40 2kuf s ILE 620 Ca 0.67 -0.93 -0.06 0.00 -0.26 0.00 0.00 60.65 60.06 2kuf s ILE 620 Cb -0.28 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 2kuf s ILE 620 CO 0.24 0.51 0.02 0.28 0.24 0.00 0.00 174.94 176.24 2kuf s THR 621 N -0.02 4.44 0.15 8.37 -1.32 -1.25 -1.76 115.64 124.24 2kuf s THR 621 Ca -0.06 -0.16 -0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2kuf s THR 621 Cb -0.14 -2.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2kuf s THR 621 CO 0.04 0.47 0.06 -1.48 -2.21 0.00 0.00 174.62 171.50 2kuf s LEU 622 N 0.37 1.74 -0.03 9.08 0.05 0.29 -1.04 118.68 129.15 2kuf s LEU 622 Ca 0.00 -1.24 0.04 0.00 0.05 0.00 0.00 54.13 52.99 2kuf s LEU 622 Cb -0.13 0.23 -0.01 0.00 -2.05 0.00 0.00 46.19 44.24 2kuf s LEU 622 CO 0.01 -0.72 -0.15 0.00 -0.55 0.00 0.00 176.35 174.95 2kuf s ARG 623 N -4.04 1.40 0.14 1.48 1.70 0.49 -0.04 118.95 120.09 2kuf s ARG 623 Ca 0.27 -0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2kuf s ARG 623 Cb 0.07 -1.28 -0.04 0.00 -0.57 0.00 0.00 34.95 33.13 2kuf s ARG 623 CO 0.04 0.25 0.07 -0.59 -1.08 0.00 0.00 175.30 174.00 2kuf s PHE 624 N -0.10 0.90 0.87 5.89 -0.71 -1.17 -0.78 117.98 122.89 2kuf s PHE 624 Ca 0.00 -1.25 -0.12 0.00 -1.04 0.00 0.00 56.93 54.52 2kuf s PHE 624 Cb -0.09 -0.49 0.12 0.00 -1.21 0.00 0.00 43.02 41.35 2kuf s PHE 624 CO 0.01 -0.54 1.14 0.20 -1.34 0.00 0.00 175.22 174.69 2kuf s GLY 625 N -3.07 1.58 0.00 1.99 0.00 0.65 -1.84 107.32 106.64 2kuf s GLY 625 Ca 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2kuf s GLY 625 CO 0.03 0.01 0.44 -0.18 0.00 0.00 0.00 173.10 173.40