#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 3.50 0.02 1.61 0.04 -1.26 -4.92 135.00 133.99 2kuf s PRO 492 Ca 0.00 2.12 0.27 0.00 0.04 0.00 0.00 61.00 63.43 2kuf s PRO 492 Cb 0.00 -2.43 0.87 0.00 0.04 0.00 0.00 34.50 32.98 2kuf s PRO 492 CO 0.00 -0.87 1.68 0.00 0.04 0.00 0.00 177.00 177.85 2kuf n ALA 493 N -0.60 2.84 -2.87 8.56 0.00 -1.26 -4.76 120.51 122.42 2kuf n ALA 493 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2kuf n ALA 493 Cb 0.45 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 2kuf n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kuf s THR 494 N -3.02 0.43 0.03 0.00 -4.23 -1.26 -0.42 115.64 107.17 2kuf s THR 494 Ca 0.12 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2kuf s THR 494 Cb 0.18 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 2kuf s THR 494 CO 0.61 -0.34 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.81 2kuf s LYS 495 N -1.34 0.44 0.07 3.99 1.02 0.34 -4.80 119.74 119.46 2kuf s LYS 495 Ca -0.09 -0.80 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 2kuf s LYS 495 Cb -0.09 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.32 2kuf s LYS 495 CO 0.00 -0.08 0.54 0.16 -0.92 0.00 0.00 175.35 175.04 2kuf s ASP 496 N -1.97 6.98 -0.36 2.83 -4.77 -1.26 -0.30 116.67 117.82 2kuf s ASP 496 Ca -0.08 1.18 -0.12 0.00 -3.30 0.00 0.00 52.55 50.23 2kuf s ASP 496 Cb -0.04 -2.33 0.01 0.00 -1.09 0.00 0.00 42.92 39.47 2kuf s ASP 496 CO -0.04 0.26 0.23 0.27 0.70 0.00 0.00 175.17 176.59 2kuf s ILE 497 N -1.16 4.96 0.96 2.11 -4.36 -1.04 -4.95 121.20 117.72 2kuf s ILE 497 Ca 0.29 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 60.03 2kuf s ILE 497 Cb -0.18 -3.66 0.17 0.00 1.25 0.00 0.00 42.46 40.04 2kuf s ILE 497 CO 0.18 -0.13 1.09 -2.84 0.24 0.00 0.00 174.94 173.48 2kuf s PRO 498 N 1.65 0.73 -0.79 0.37 0.02 -1.26 0.53 135.00 136.25 2kuf s PRO 498 Ca 0.04 0.64 -0.26 0.00 0.02 0.00 0.00 61.00 61.45 2kuf s PRO 498 Cb -0.18 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2kuf s PRO 498 CO 0.09 -2.56 1.60 -0.51 -0.33 0.00 0.00 177.00 175.29 2kuf s ASP 499 N -3.43 5.79 0.00 2.53 1.01 -1.26 -4.70 116.67 116.61 2kuf s ASP 499 Ca 0.65 -0.47 0.18 0.00 0.71 0.00 0.00 52.55 53.61 2kuf s ASP 499 Cb -0.18 -2.55 0.50 0.00 1.01 0.00 0.00 42.92 41.69 2kuf s ASP 499 CO 0.57 -2.09 1.41 1.33 0.21 0.00 0.00 175.17 176.61 2kuf n VAL 500 N 7.00 0.69 -2.09 -1.27 0.24 -1.26 -4.88 118.33 116.76 2kuf n VAL 500 Ca 0.21 -0.72 -0.39 0.00 -2.04 0.00 0.00 64.34 61.40 2kuf n VAL 500 Cb 0.50 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 2kuf n VAL 500 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kuf s ALA 501 N -1.31 2.30 0.00 2.33 0.00 -1.26 -2.54 121.76 121.28 2kuf s ALA 501 Ca 0.37 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2kuf s ALA 501 Cb 0.19 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2kuf s ALA 501 CO 0.26 -3.71 0.00 0.41 0.00 0.00 0.00 175.76 172.72 2kuf n GLY 502 N 5.63 0.79 4.01 0.00 0.00 -0.82 -4.99 105.19 109.80 2kuf n GLY 502 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2kuf n GLY 502 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kuf s GLN 503 N 0.00 1.79 0.64 1.61 1.11 -1.05 -4.83 119.66 118.93 2kuf s GLN 503 Ca 0.00 -1.28 -0.15 0.00 0.01 0.00 0.00 55.36 53.94 2kuf s GLN 503 Cb 0.00 -2.41 -0.01 0.00 -1.01 0.00 0.00 33.01 29.58 2kuf s GLN 503 CO 0.00 -1.33 1.08 0.99 0.01 0.00 0.00 175.29 176.04 2kuf s THR 504 N -3.03 3.54 0.18 -0.19 2.01 -1.26 -1.42 115.64 115.47 2kuf s THR 504 Ca 0.66 0.70 -0.12 0.00 0.31 0.00 0.00 61.69 63.24 2kuf s THR 504 Cb -0.05 -3.24 0.08 0.00 0.01 0.00 0.00 72.50 69.31 2kuf s THR 504 CO 0.43 -0.46 1.78 1.62 -0.69 0.00 0.00 174.62 177.30 2kuf h VAL 505 N 0.13 1.20 -0.74 3.82 3.04 -0.90 0.25 116.25 123.04 2kuf h VAL 505 Ca -0.46 -0.54 -0.04 0.00 -1.01 0.00 0.00 66.70 64.64 2kuf h VAL 505 Cb 1.23 0.46 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 2kuf h VAL 505 CO 0.56 0.23 0.29 -0.78 -1.01 0.00 0.00 177.57 176.85 2kuf h ASP 506 N 0.82 1.02 -0.13 3.17 3.58 -1.92 0.78 116.42 123.74 2kuf h ASP 506 Ca 0.21 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2kuf h ASP 506 Cb 0.08 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2kuf h ASP 506 CO -0.03 0.91 -0.09 0.58 -2.88 0.00 0.00 179.24 177.73 2kuf h VAL 507 N 1.08 1.33 -0.55 2.25 2.07 -1.81 -0.87 116.25 119.76 2kuf h VAL 507 Ca 0.25 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2kuf h VAL 507 Cb 0.21 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2kuf h VAL 507 CO -0.02 0.35 0.34 0.00 0.02 0.00 0.00 177.57 178.26 2kuf h ALA 508 N 0.63 0.70 -0.26 1.67 0.00 -0.16 0.70 119.26 122.54 2kuf h ALA 508 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kuf h ALA 508 CO 0.03 0.16 0.08 1.96 0.00 0.00 0.00 179.25 181.48 2kuf h GLN 509 N 0.74 0.40 -0.48 0.00 4.20 -0.75 0.16 115.11 119.38 2kuf h GLN 509 Ca 0.20 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2kuf h GLN 509 Cb -0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2kuf h GLN 509 CO -0.04 0.48 -0.13 1.57 -0.67 0.00 0.00 178.83 180.04 2kuf h LYS 510 N 0.25 0.91 -0.34 1.46 2.10 -0.97 0.07 116.57 120.05 2kuf h LYS 510 Ca 0.08 -0.33 -0.07 0.00 -2.00 0.00 0.00 60.65 58.33 2kuf h LYS 510 Cb 0.25 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2kuf h LYS 510 CO -0.00 0.98 -0.06 -0.91 -2.00 0.00 0.00 179.45 177.46 2kuf h ASN 511 N 0.81 0.63 -0.76 7.07 2.35 -0.65 -2.25 115.58 122.78 2kuf h ASN 511 Ca 0.13 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 2kuf h ASN 511 Cb 0.67 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2kuf h ASN 511 CO 0.05 0.84 0.39 0.25 -1.65 0.00 0.00 177.43 177.30 2kuf h LEU 512 N 0.42 0.98 -1.52 1.61 7.12 -0.44 -1.81 115.31 121.68 2kuf h LEU 512 Ca 0.09 -0.12 0.01 0.00 0.13 0.00 0.00 57.88 57.99 2kuf h LEU 512 Cb 0.55 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.40 2kuf h LEU 512 CO 0.03 0.82 0.34 -1.13 -0.13 0.00 0.00 178.44 178.37 2kuf h ASN 513 N 1.06 0.56 -0.87 1.25 -0.00 -0.74 0.28 115.58 117.12 2kuf h ASN 513 Ca 0.26 -0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.61 2kuf h ASN 513 Cb 0.09 -0.14 -0.06 0.00 -0.00 0.00 0.00 38.32 38.21 2kuf h ASN 513 CO -0.04 0.40 0.57 0.58 -0.00 0.00 0.00 177.43 178.94 2kuf h VAL 514 N 0.66 1.07 -0.05 2.57 2.07 -0.72 0.15 116.25 122.00 2kuf h VAL 514 Ca 0.19 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2kuf h VAL 514 Cb -0.02 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2kuf h VAL 514 CO -0.05 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2kuf n TYR 515 N -4.48 0.16 0.09 1.57 4.11 -0.78 -4.73 117.16 113.10 2kuf n TYR 515 Ca 0.13 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 57.06 2kuf n TYR 515 Cb 0.19 -0.18 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kuf n GLY 516 N -1.26 -0.16 2.41 -7.48 0.00 0.91 -4.96 105.19 94.65 2kuf n GLY 516 Ca 0.17 0.00 -0.17 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 -3.46 -0.37 -2.14 1.61 3.72 0.50 -4.98 117.46 112.34 2kuf n PHE 517 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2kuf n PHE 517 Cb 0.02 -3.14 0.17 0.00 -0.94 0.00 0.00 39.48 35.60 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.20 0.00 -4.41 4.37 -2.24 -1.26 -4.99 114.28 102.55 2kuf n THR 518 Ca -0.18 -1.17 -0.34 0.00 -2.27 0.00 0.00 64.05 60.09 2kuf n THR 518 Cb 0.60 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 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 -5.61 3.36 0.09 -0.78 1.02 -1.20 -4.93 119.74 111.69 2kuf s LYS 519 Ca 0.72 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.26 2kuf s LYS 519 Cb -0.03 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 2kuf s LYS 519 CO 0.49 0.43 -0.10 -0.59 -0.92 0.00 0.00 175.35 174.66 2kuf s PHE 520 N -0.16 1.06 0.04 3.18 -0.12 -1.26 -0.10 117.98 120.61 2kuf s PHE 520 Ca 0.03 -0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2kuf s PHE 520 Cb -0.13 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.65 2kuf s PHE 520 CO 0.02 0.00 -0.03 -1.54 -0.05 0.00 0.00 175.22 173.63 2kuf s SER 521 N -2.30 0.40 0.05 1.98 1.04 0.19 -4.87 113.70 110.18 2kuf s SER 521 Ca 0.03 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 55.72 2kuf s SER 521 Cb -0.04 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2kuf s SER 521 CO 0.00 -0.49 -0.20 0.00 0.98 0.00 0.00 173.24 173.53 2kuf s GLN 522 N -3.02 1.36 -0.12 4.02 -2.07 -1.26 -0.17 119.66 118.39 2kuf s GLN 522 Ca -0.01 -0.95 -0.01 0.00 -1.82 0.00 0.00 55.36 52.57 2kuf s GLN 522 Cb 0.01 -1.48 0.03 0.00 -1.09 0.00 0.00 33.01 30.49 2kuf s GLN 522 CO -0.07 0.37 -0.02 0.00 -1.32 0.00 0.00 175.29 174.25 2kuf s ALA 523 N -0.82 1.06 -0.31 2.60 0.00 0.44 -4.91 121.76 119.81 2kuf s ALA 523 Ca 0.07 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 2kuf s ALA 523 Cb -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2kuf s ALA 523 CO 0.02 -0.62 0.88 -1.12 0.00 0.00 0.00 175.76 174.92 2kuf s SER 524 N 1.82 6.74 0.12 0.00 0.01 -1.26 -0.23 113.70 120.91 2kuf s SER 524 Ca 0.03 0.77 0.10 0.00 1.31 0.00 0.00 55.95 58.17 2kuf s SER 524 Cb -0.14 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2kuf s SER 524 CO -0.07 -0.71 -0.26 -0.69 0.41 0.00 0.00 173.24 171.93 2kuf s VAL 525 N 3.19 2.15 0.21 3.43 1.01 0.74 -4.84 120.40 126.29 2kuf s VAL 525 Ca 0.36 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2kuf s VAL 525 Cb -0.13 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 2kuf s VAL 525 CO 0.14 0.07 1.35 1.51 0.00 0.00 0.00 175.10 178.17 2kuf s ASP 526 N -2.00 6.82 0.10 3.32 -4.77 -1.26 -0.73 116.67 118.14 2kuf s ASP 526 Ca 0.12 2.48 -0.25 0.00 -3.30 0.00 0.00 52.55 51.60 2kuf s ASP 526 Cb -0.10 -2.61 0.08 0.00 -1.09 0.00 0.00 42.92 39.20 2kuf s ASP 526 CO 0.06 -0.58 0.73 -0.44 0.70 0.00 0.00 175.17 175.63 2kuf s SER 527 N 0.35 -0.47 0.00 2.11 0.01 -0.31 -4.84 113.70 110.56 2kuf s SER 527 Ca 0.58 -0.03 0.14 0.00 1.31 0.00 0.00 55.95 57.95 2kuf s SER 527 Cb -0.38 0.51 0.86 0.00 0.21 0.00 0.00 66.02 67.22 2kuf s SER 527 CO 0.40 -0.84 1.33 -2.65 0.41 0.00 0.00 173.24 171.89 2kuf n PRO 528 N -0.33 0.67 -3.45 12.44 -0.02 -1.26 -3.81 135.00 139.25 2kuf n PRO 528 Ca -0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.97 2kuf n PRO 528 Cb 0.63 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.72 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 3.98 0.65 -0.52 3.00 -1.26 -4.94 118.95 117.85 2kuf s ARG 529 Ca 0.21 0.49 -0.18 0.00 0.00 0.00 0.00 55.73 56.25 2kuf s ARG 529 Cb 0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 34.95 31.82 2kuf s ARG 529 CO 0.17 0.68 1.25 -1.25 0.00 0.00 0.00 175.30 176.15 2kuf s PRO 530 N -1.09 2.61 -0.22 3.54 0.04 -1.26 -2.11 135.00 136.50 2kuf s PRO 530 Ca 0.25 1.94 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 2kuf s PRO 530 Cb -0.17 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2kuf s PRO 530 CO 0.15 -1.52 2.20 0.00 0.04 0.00 0.00 177.00 177.87 2kuf s ALA 531 N -1.56 2.73 0.00 8.56 0.00 -1.20 -2.33 121.76 127.96 2kuf s ALA 531 Ca 0.80 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2kuf s ALA 531 Cb -0.34 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2kuf s ALA 531 CO 0.39 -2.79 0.00 0.41 0.00 0.00 0.00 175.76 173.76 2kuf n GLY 532 N 5.75 1.29 3.77 0.00 0.00 -0.93 -4.94 105.19 110.12 2kuf n GLY 532 Ca 0.29 0.00 -0.39 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 4.68 -0.30 1.61 2.12 -0.98 -0.24 118.70 125.59 2kuf s GLU 533 Ca 0.00 1.30 -0.14 0.00 0.36 0.00 0.00 54.97 56.49 2kuf s GLU 533 Cb 0.00 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2kuf s GLU 533 CO 0.00 0.52 0.34 0.54 -0.54 0.00 0.00 175.26 176.12 2kuf s VAL 534 N -1.22 5.19 0.00 3.70 0.11 -0.51 -0.67 120.40 127.02 2kuf s VAL 534 Ca 0.40 0.31 0.16 0.00 -2.93 0.00 0.00 61.98 59.92 2kuf s VAL 534 Cb -0.24 -3.72 0.08 0.00 -1.53 0.00 0.00 36.38 30.98 2kuf s VAL 534 CO 0.28 0.08 1.56 0.71 -3.33 0.00 0.00 175.10 174.40 2kuf h THR 535 N 5.44 0.92 0.00 5.04 1.35 -1.60 -2.19 112.91 121.87 2kuf h THR 535 Ca -0.31 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2kuf h THR 535 Cb 1.16 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 2kuf h THR 535 CO 0.65 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 2kuf n GLY 536 N 0.80 -0.91 3.53 5.82 0.00 -1.24 -4.67 105.19 108.52 2kuf n GLY 536 Ca 0.01 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.00 2.88 0.09 2.61 -4.23 -1.26 -0.36 115.64 112.37 2kuf s THR 537 Ca 0.00 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 2kuf s THR 537 Cb 0.00 -2.48 -0.14 0.00 1.34 0.00 0.00 72.50 71.21 2kuf s THR 537 CO 0.00 -0.29 1.65 -1.13 -0.54 0.00 0.00 174.62 174.32 2kuf h ASN 538 N 2.45 -0.60 -3.55 3.99 -0.73 -1.43 -3.40 115.58 112.31 2kuf h ASN 538 Ca -0.44 0.04 -0.52 0.00 1.87 0.00 0.00 56.30 57.26 2kuf h ASN 538 Cb 1.24 0.19 0.02 0.00 0.27 0.00 0.00 38.32 40.03 2kuf h ASN 538 CO 0.57 -0.36 0.54 -2.16 -0.37 0.00 0.00 177.43 175.64 2kuf s PRO 539 N -6.09 4.52 0.40 6.67 0.04 -1.26 -4.99 135.00 134.30 2kuf s PRO 539 Ca -0.16 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 2kuf s PRO 539 Cb 0.06 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 2kuf s PRO 539 CO 0.64 -0.03 1.48 -1.25 0.04 0.00 0.00 177.00 177.88 2kuf s PRO 540 N -0.47 3.95 0.35 0.56 0.04 -1.26 -4.94 135.00 133.23 2kuf s PRO 540 Ca 0.51 2.54 -0.28 0.00 0.04 0.00 0.00 61.00 63.81 2kuf s PRO 540 Cb -0.32 -2.86 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 2kuf s PRO 540 CO 0.37 -0.65 1.31 0.00 0.04 0.00 0.00 177.00 178.08 2kuf s ALA 541 N -1.15 3.46 0.00 8.56 0.00 -1.26 -2.23 121.76 129.15 2kuf s ALA 541 Ca 0.56 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2kuf s ALA 541 Cb -0.46 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2kuf s ALA 541 CO 0.62 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2kuf n GLY 542 N 0.76 1.79 3.77 0.00 0.00 0.19 -4.90 105.19 106.79 2kuf n GLY 542 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.44 4.54 -0.00 2.61 2.01 -0.94 -4.76 115.64 116.66 2kuf s THR 543 Ca 0.00 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 2kuf s THR 543 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2kuf s THR 543 CO 0.00 0.48 1.14 0.28 -0.69 0.00 0.00 174.62 175.83 2kuf s THR 544 N -0.79 4.34 0.17 -0.82 -1.32 -1.26 -2.49 115.64 113.48 2kuf s THR 544 Ca 0.35 1.67 0.09 0.00 -1.21 0.00 0.00 61.69 62.60 2kuf s THR 544 Cb -0.22 -4.07 -0.04 0.00 -1.51 0.00 0.00 72.50 66.66 2kuf s THR 544 CO 0.24 0.08 -0.20 0.68 -2.21 0.00 0.00 174.62 173.21 2kuf s VAL 545 N 1.51 1.95 0.25 5.08 -7.23 0.59 -4.90 120.40 117.64 2kuf s VAL 545 Ca 0.56 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2kuf s VAL 545 Cb -0.25 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 2kuf s VAL 545 CO 0.26 -0.26 1.46 -2.16 -0.31 0.00 0.00 175.10 174.09 2kuf s PRO 546 N -2.73 4.25 0.43 4.82 0.04 -1.26 -0.50 135.00 140.04 2kuf s PRO 546 Ca 0.17 2.33 0.19 0.00 0.04 0.00 0.00 61.00 63.72 2kuf s PRO 546 Cb -0.06 -3.10 0.96 0.00 0.04 0.00 0.00 34.50 32.34 2kuf s PRO 546 CO 0.07 -0.45 1.90 -0.24 0.04 0.00 0.00 177.00 178.32 2kuf h VAL 547 N 3.55 0.94 -0.00 -0.36 3.04 -1.04 -2.63 116.25 119.75 2kuf h VAL 547 Ca -0.46 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2kuf h VAL 547 Cb 1.22 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 2kuf h VAL 547 CO 0.78 0.27 -0.36 -0.67 -1.01 0.00 0.00 177.57 176.58 2kuf n ASP 548 N -3.84 0.81 -4.52 3.17 2.03 -1.26 -4.22 116.55 108.72 2kuf n ASP 548 Ca -0.02 -0.63 -0.25 0.00 0.52 0.00 0.00 54.79 54.41 2kuf n ASP 548 Cb 0.36 0.19 0.13 0.00 -0.72 0.00 0.00 41.12 41.08 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kuf s SER 549 N -2.70 3.97 -0.17 1.67 0.15 -0.99 -4.84 113.70 110.78 2kuf s SER 549 Ca 0.19 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2kuf s SER 549 Cb 0.19 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2kuf s SER 549 CO 0.59 -2.13 -0.00 0.54 1.20 0.00 0.00 173.24 173.44 2kuf s VAL 550 N -3.33 4.13 -0.05 4.45 0.11 -1.26 -3.21 120.40 121.24 2kuf s VAL 550 Ca 0.69 -0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 59.32 2kuf s VAL 550 Cb -0.04 -2.84 -0.05 0.00 -1.53 0.00 0.00 36.38 31.92 2kuf s VAL 550 CO 0.47 0.47 0.41 -0.63 -3.33 0.00 0.00 175.10 172.49 2kuf s ILE 551 N 0.51 5.10 -0.29 7.04 1.01 0.85 -4.93 121.20 130.50 2kuf s ILE 551 Ca -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 2kuf s ILE 551 Cb -0.14 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2kuf s ILE 551 CO 0.02 0.48 0.15 -0.70 0.00 0.00 0.00 174.94 174.89 2kuf s GLU 552 N -0.41 3.59 -0.26 2.79 2.56 -1.26 -0.64 118.70 125.07 2kuf s GLU 552 Ca 0.23 -0.55 -0.15 0.00 0.00 0.00 0.00 54.97 54.51 2kuf s GLU 552 Cb -0.16 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.39 2kuf s GLU 552 CO 0.11 -0.30 0.38 -0.51 -0.56 0.00 0.00 175.26 174.38 2kuf s LEU 553 N 1.66 4.06 -0.44 2.70 2.01 0.75 -0.97 118.68 128.45 2kuf s LEU 553 Ca 0.06 0.33 -0.23 0.00 0.01 0.00 0.00 54.13 54.29 2kuf s LEU 553 Cb -0.16 -2.44 0.02 0.00 0.01 0.00 0.00 46.19 43.62 2kuf s LEU 553 CO 0.07 -0.17 0.79 -1.10 1.01 0.00 0.00 176.35 176.96 2kuf s GLN 554 N 1.96 3.45 -0.10 1.70 1.11 0.51 -0.42 119.66 127.87 2kuf s GLN 554 Ca 0.16 -0.04 -0.12 0.00 0.01 0.00 0.00 55.36 55.36 2kuf s GLN 554 Cb -0.16 -3.92 -0.05 0.00 -1.01 0.00 0.00 33.01 27.87 2kuf s GLN 554 CO 0.09 -1.09 0.28 0.08 0.01 0.00 0.00 175.29 174.66 2kuf s VAL 555 N 3.30 5.28 -0.18 1.09 1.01 0.68 -1.55 120.40 130.03 2kuf s VAL 555 Ca 0.30 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.61 2kuf s VAL 555 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2kuf s VAL 555 CO 0.22 0.51 0.62 -0.44 0.00 0.00 0.00 175.10 176.02 2kuf s SER 556 N -0.42 6.71 -0.17 3.32 0.01 0.16 -0.19 113.70 123.13 2kuf s SER 556 Ca 0.18 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.18 2kuf s SER 556 Cb -0.14 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2kuf s SER 556 CO 0.07 -0.23 0.22 -1.59 0.41 0.00 0.00 173.24 172.12 2kuf s LYS 557 N 1.69 4.15 0.58 12.44 -2.85 0.09 -2.19 119.74 133.65 2kuf s LYS 557 Ca 0.29 -0.03 0.28 0.00 -1.00 0.00 0.00 55.97 55.51 2kuf s LYS 557 Cb -0.16 -3.40 1.59 0.00 -2.06 0.00 0.00 37.83 33.80 2kuf s LYS 557 CO 0.11 0.32 2.07 0.78 0.10 0.00 0.00 175.35 178.73 2kuf h GLY 558 N 6.47 0.00 -0.77 0.59 0.00 -1.52 -0.80 103.07 107.03 2kuf h GLY 558 Ca -0.43 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.66 2kuf h GLY 558 CO 0.74 0.00 -0.24 -2.01 0.00 0.00 0.00 176.54 175.03 2kuf n ASN 559 N -3.90 -4.37 -4.20 0.19 5.15 -1.26 -4.49 115.26 102.37 2kuf n ASN 559 Ca 0.03 0.25 -0.23 0.00 -0.60 0.00 0.00 54.58 54.03 2kuf n ASN 559 Cb 0.39 -3.05 -0.14 0.00 -0.53 0.00 0.00 39.78 36.45 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 -3.29 1.19 0.11 1.20 -0.21 -1.26 -1.99 119.66 115.40 2kuf s GLN 560 Ca 0.00 -0.86 0.09 0.00 0.02 0.00 0.00 55.36 54.61 2kuf s GLN 560 Cb 0.00 -1.26 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 2kuf s GLN 560 CO 0.00 0.32 -0.24 -0.59 -2.12 0.00 0.00 175.29 172.66 2kuf s PHE 561 N -0.82 2.02 -0.19 0.91 -0.71 -0.03 -4.77 117.98 114.39 2kuf s PHE 561 Ca 0.05 -0.40 -0.29 0.00 -1.04 0.00 0.00 56.93 55.25 2kuf s PHE 561 Cb -0.08 -1.11 -0.03 0.00 -1.21 0.00 0.00 43.02 40.58 2kuf s PHE 561 CO 0.02 0.25 1.65 0.08 -1.34 0.00 0.00 175.22 175.88 2kuf s VAL 562 N -1.09 3.64 -0.15 -2.49 1.01 -1.26 -0.76 120.40 119.31 2kuf s VAL 562 Ca 0.10 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 2kuf s VAL 562 Cb -0.10 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 2kuf s VAL 562 CO 0.05 -0.24 1.03 -0.32 0.00 0.00 0.00 175.10 175.61 2kuf s MET 563 N 4.65 4.36 0.71 2.72 1.75 -0.03 -4.89 119.30 128.57 2kuf s MET 563 Ca 0.73 1.39 -0.13 0.00 -1.25 0.00 0.00 55.69 56.43 2kuf s MET 563 Cb -0.27 -3.58 0.03 0.00 2.84 0.00 0.00 34.83 33.85 2kuf s MET 563 CO 0.30 -0.45 1.11 -2.14 -0.65 0.00 0.00 175.02 173.19 2kuf s PRO 564 N 2.50 2.49 -0.15 4.11 0.02 -1.26 -0.81 135.00 141.89 2kuf s PRO 564 Ca 0.47 1.36 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 2kuf s PRO 564 Cb -0.17 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 2kuf s PRO 564 CO 0.13 -1.48 0.98 0.16 -0.33 0.00 0.00 177.00 176.46 2kuf s ASP 565 N -2.80 7.14 -0.05 2.53 -4.77 -1.26 -4.80 116.67 112.66 2kuf s ASP 565 Ca 0.66 1.41 0.08 0.00 -3.30 0.00 0.00 52.55 51.39 2kuf s ASP 565 Cb -0.20 -2.53 0.12 0.00 -1.09 0.00 0.00 42.92 39.22 2kuf s ASP 565 CO 0.47 -0.50 1.07 0.00 0.70 0.00 0.00 175.17 176.91 2kuf n LEU 566 N 5.43 2.17 -4.77 2.11 -0.00 -1.26 -5.05 117.00 115.63 2kuf n LEU 566 Ca 0.09 -2.44 -0.40 0.00 -0.00 0.00 0.00 56.01 53.25 2kuf n LEU 566 Cb 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.69 2kuf n LEU 566 CO 0.51 0.59 0.92 -0.44 -0.00 0.00 0.00 177.39 178.97 2kuf s SER 567 N -1.76 6.86 -0.23 1.45 0.01 -1.26 -4.29 113.70 114.48 2kuf s SER 567 Ca 0.13 2.55 -0.00 0.00 1.31 0.00 0.00 55.95 59.94 2kuf s SER 567 Cb 0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2kuf s SER 567 CO 0.01 -0.46 0.22 0.61 0.41 0.00 0.00 173.24 174.04 2kuf n GLY 568 N 0.88 -0.61 3.72 3.44 0.00 -1.16 -5.05 105.19 106.41 2kuf n GLY 568 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2kuf n GLY 568 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kuf s MET 569 N -2.92 0.56 0.57 1.61 0.23 -1.26 -4.89 119.30 113.21 2kuf s MET 569 Ca 0.00 -0.33 0.10 0.00 -1.03 0.00 0.00 55.69 54.43 2kuf s MET 569 Cb -0.00 0.18 0.09 0.00 -1.53 0.00 0.00 34.83 33.57 2kuf s MET 569 CO 0.24 -0.26 0.78 -0.06 -2.03 0.00 0.00 175.02 173.69 2kuf s PHE 570 N -2.45 1.40 0.42 3.16 0.08 -1.26 -1.10 117.98 118.23 2kuf s PHE 570 Ca 0.17 -0.73 0.17 0.00 0.12 0.00 0.00 56.93 56.66 2kuf s PHE 570 Cb 0.03 -2.20 1.05 0.00 -0.57 0.00 0.00 43.02 41.33 2kuf s PHE 570 CO -0.02 -1.14 1.98 2.35 -0.10 0.00 0.00 175.22 178.29 2kuf h TRP 571 N 0.19 0.00 -0.20 0.36 2.91 -2.00 0.13 115.95 117.34 2kuf h TRP 571 Ca -0.30 0.00 0.06 0.00 1.13 0.00 0.00 58.89 59.78 2kuf h TRP 571 Cb 1.29 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.93 2kuf h TRP 571 CO 0.45 0.21 0.15 -0.24 -1.03 0.00 0.00 178.44 177.98 2kuf h VAL 572 N 0.00 0.90 0.00 2.65 3.04 -2.01 -0.11 116.25 120.73 2kuf h VAL 572 Ca -0.00 -0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.31 2kuf h VAL 572 Cb 0.40 0.90 -0.07 0.00 -2.01 0.00 0.00 31.29 30.51 2kuf h VAL 572 CO 0.03 0.00 -2.41 0.47 -1.01 0.00 0.00 177.57 174.65 2kuf n ASP 573 N -4.48 1.81 -0.25 3.17 8.00 -0.81 -4.46 116.55 119.52 2kuf n ASP 573 Ca 0.02 -0.12 -0.03 0.00 0.71 0.00 0.00 54.79 55.37 2kuf n ASP 573 Cb 0.28 -0.21 0.08 0.00 -0.02 0.00 0.00 41.12 41.25 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kuf h ALA 574 N 0.13 0.93 0.05 2.24 0.00 -0.62 -0.43 119.26 121.56 2kuf h ALA 574 Ca -0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2kuf h ALA 574 Cb 1.91 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2kuf h ALA 574 CO -0.07 0.24 -0.03 1.49 0.00 0.00 0.00 179.25 180.88 2kuf h GLU 575 N 0.88 -0.07 -0.74 0.00 4.81 -1.28 -0.03 114.58 118.16 2kuf h GLU 575 Ca 0.29 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 2kuf h GLU 575 Cb 0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2kuf h GLU 575 CO -0.11 0.20 0.49 -1.35 -0.73 0.00 0.00 179.01 177.51 2kuf h PRO 576 N -0.34 0.62 -0.60 0.92 0.11 -1.74 -1.93 132.00 129.04 2kuf h PRO 576 Ca -0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 2kuf h PRO 576 Cb 0.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 2kuf h PRO 576 CO 0.01 0.41 0.10 0.00 -0.21 0.00 0.00 178.00 178.31 2kuf h ARG 577 N 0.64 0.97 -0.23 1.05 2.47 -0.65 0.59 114.38 119.23 2kuf h ARG 577 Ca 0.34 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 2kuf h ARG 577 Cb 0.48 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2kuf h ARG 577 CO -0.12 0.90 0.01 1.37 0.56 0.00 0.00 179.97 182.69 2kuf h LEU 578 N 0.92 0.39 -0.64 3.04 8.10 -0.22 0.11 115.31 127.01 2kuf h LEU 578 Ca 0.19 -0.30 -0.10 0.00 0.11 0.00 0.00 57.88 57.78 2kuf h LEU 578 Cb 0.40 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.49 2kuf h LEU 578 CO 0.01 0.59 -0.03 0.08 -4.11 0.00 0.00 178.44 174.98 2kuf h ARG 579 N 0.18 1.03 0.00 0.17 0.11 -1.43 0.23 114.38 114.67 2kuf h ARG 579 Ca 0.07 -0.34 -0.08 0.00 0.10 0.00 0.00 59.98 59.73 2kuf h ARG 579 Cb 0.38 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2kuf h ARG 579 CO 0.01 1.03 -0.39 0.00 0.10 0.00 0.00 179.97 180.72 2kuf h ALA 580 N 1.01 1.09 -0.00 0.08 0.00 -0.50 -2.48 119.26 118.46 2kuf h ALA 580 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kuf h ALA 580 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kuf h ALA 580 CO 0.03 0.48 -0.52 1.47 0.00 0.00 0.00 179.25 180.72 2kuf n LEU 581 N -3.69 0.80 -1.28 0.00 -0.00 0.34 -4.95 117.00 108.22 2kuf n LEU 581 Ca -0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 56.01 55.79 2kuf n LEU 581 Cb 0.48 -0.16 0.01 0.00 -0.00 0.00 0.00 43.42 43.75 2kuf n LEU 581 CO 0.37 0.18 0.02 0.61 -0.00 0.00 0.00 177.39 178.57 2kuf n GLY 582 N 1.46 0.39 3.70 1.47 0.00 -0.94 -5.02 105.19 106.24 2kuf n GLY 582 Ca 0.07 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 3.53 -1.68 1.61 -0.00 0.76 -4.94 118.94 115.17 2kuf s TRP 583 Ca 0.01 1.34 0.26 0.00 -0.00 0.00 0.00 56.10 57.71 2kuf s TRP 583 Cb -0.00 -2.95 0.72 0.00 -0.00 0.00 0.00 33.47 31.24 2kuf s TRP 583 CO 0.10 -0.06 1.55 0.25 -0.00 0.00 0.00 176.95 178.78 2kuf n THR 584 N 4.18 0.00 -3.56 5.86 -2.24 -1.26 -4.75 114.28 112.51 2kuf n THR 584 Ca 0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kuf n THR 584 Cb 0.50 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 585 N 1.36 3.90 3.40 3.38 0.00 -1.04 -4.86 105.19 111.33 2kuf n GLY 585 Ca 0.11 -2.16 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.48 1.45 -0.09 1.61 -1.94 -1.26 -4.99 119.30 112.59 2kuf s MET 586 Ca 0.00 -1.47 -0.27 0.00 -1.71 0.00 0.00 55.69 52.24 2kuf s MET 586 Cb 0.00 -1.74 -0.02 0.00 2.01 0.00 0.00 34.83 35.08 2kuf s MET 586 CO 0.00 0.38 0.86 -1.17 -0.01 0.00 0.00 175.02 175.07 2kuf s LEU 587 N -2.59 4.28 -0.18 -0.03 0.20 -1.26 -4.54 118.68 114.56 2kuf s LEU 587 Ca 0.19 1.35 0.00 0.00 0.69 0.00 0.00 54.13 56.36 2kuf s LEU 587 Cb -0.08 -3.32 0.04 0.00 -0.43 0.00 0.00 46.19 42.39 2kuf s LEU 587 CO 0.09 -0.29 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.13 2kuf s ASP 588 N 1.01 3.08 -0.09 3.68 2.15 -1.25 -5.11 116.67 120.14 2kuf s ASP 588 Ca 0.43 -0.72 -0.16 0.00 0.43 0.00 0.00 52.55 52.53 2kuf s ASP 588 Cb -0.18 -1.17 -0.05 0.00 -0.30 0.00 0.00 42.92 41.22 2kuf s ASP 588 CO 0.19 -0.12 0.40 -1.59 -0.17 0.00 0.00 175.17 173.87 2kuf s LYS 589 N 1.46 4.16 0.01 4.34 0.00 -1.26 -2.64 119.74 125.82 2kuf s LYS 589 Ca 0.01 0.33 -0.18 0.00 0.00 0.00 0.00 55.97 56.14 2kuf s LYS 589 Cb -0.15 -3.36 -0.32 0.00 0.00 0.00 0.00 37.83 34.01 2kuf s LYS 589 CO -0.09 0.37 1.01 0.78 0.00 0.00 0.00 175.35 177.42 2kuf h GLY 590 N 6.00 0.56 -5.35 0.59 0.00 -0.41 -3.46 103.07 101.00 2kuf h GLY 590 Ca -0.45 -1.31 -0.26 0.00 0.00 0.00 0.00 47.33 45.31 2kuf h GLY 590 CO 0.71 1.15 -0.73 0.00 0.00 0.00 0.00 176.54 177.66 2kuf s ALA 591 N -2.73 0.21 -0.18 3.60 0.00 -1.26 -5.05 121.76 116.36 2kuf s ALA 591 Ca -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 2kuf s ALA 591 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2kuf s ALA 591 CO 0.90 0.02 -0.06 -0.51 0.00 0.00 0.00 175.76 176.10 2kuf s ASP 592 N -0.35 4.35 -0.30 0.00 1.11 -1.26 -1.62 116.67 118.60 2kuf s ASP 592 Ca -0.02 -0.31 -0.10 0.00 0.18 0.00 0.00 52.55 52.30 2kuf s ASP 592 Cb -0.03 -1.72 -0.02 0.00 1.07 0.00 0.00 42.92 42.23 2kuf s ASP 592 CO -0.00 0.08 0.15 -0.69 1.18 0.00 0.00 175.17 175.89 2kuf s VAL 593 N 0.90 4.70 -0.48 -1.27 1.01 -0.97 -4.86 120.40 119.45 2kuf s VAL 593 Ca -0.01 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 2kuf s VAL 593 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2kuf s VAL 593 CO 0.01 0.12 1.51 1.51 0.00 0.00 0.00 175.10 178.25 2kuf s ASP 594 N 1.64 6.08 0.32 3.32 -4.77 -1.26 -0.98 116.67 121.02 2kuf s ASP 594 Ca 0.05 0.64 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 2kuf s ASP 594 Cb -0.17 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2kuf s ASP 594 CO 0.07 -1.67 0.00 0.00 0.70 0.00 0.00 175.17 174.26 2kuf n ALA 595 N 9.72 2.00 0.00 2.11 0.00 -1.26 -4.98 120.51 128.09 2kuf n ALA 595 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kuf n ALA 595 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.50 4.26 0.35 0.00 0.00 -1.26 -4.87 105.19 104.17 2kuf n GLY 596 Ca 0.00 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 0.53 2.00 -0.02 0.00 -1.89 -1.14 103.07 102.55 2kuf h GLY 597 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2kuf h GLY 597 CO 0.00 0.10 -0.05 1.76 0.00 0.00 0.00 176.54 178.35 2kuf h SER 598 N 0.38 0.00 -0.03 0.19 0.02 -1.93 -0.96 113.55 111.23 2kuf h SER 598 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kuf h SER 598 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2kuf h SER 598 CO -0.07 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 2kuf n GLN 599 N -3.53 1.50 -2.38 3.45 1.13 -0.43 -4.87 117.38 112.25 2kuf n GLN 599 Ca -0.02 -0.73 -0.09 0.00 -1.94 0.00 0.00 57.00 54.21 2kuf n GLN 599 Cb 0.17 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.05 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 -0.10 -0.62 -0.69 1.08 8.25 -0.36 -4.90 115.22 117.87 2kuf n HIS 600 Ca 0.20 0.11 -0.06 0.00 -0.26 0.00 0.00 57.72 57.71 2kuf n HIS 600 Cb 0.29 -2.35 -0.02 0.00 1.12 0.00 0.00 29.99 29.03 2kuf n HIS 600 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2kuf n ASN 601 N 0.16 5.60 -4.31 0.41 4.05 -1.24 -4.87 115.26 115.05 2kuf n ASN 601 Ca -0.07 -2.58 -0.29 0.00 0.45 0.00 0.00 54.58 52.08 2kuf n ASN 601 Cb 0.56 -1.16 0.18 0.00 1.23 0.00 0.00 39.78 40.60 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kuf s ARG 602 N -0.29 0.21 0.16 1.20 1.70 -1.26 -2.19 118.95 118.48 2kuf s ARG 602 Ca 0.18 0.02 -0.34 0.00 -0.47 0.00 0.00 55.73 55.12 2kuf s ARG 602 Cb 0.11 -1.76 -0.14 0.00 -0.57 0.00 0.00 34.95 32.60 2kuf s ARG 602 CO -0.01 -2.77 1.59 0.28 -1.08 0.00 0.00 175.30 173.31 2kuf n VAL 603 N -4.11 0.01 -0.06 4.99 0.31 -0.26 -3.98 118.33 115.23 2kuf n VAL 603 Ca 0.11 -0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 2kuf n VAL 603 Cb 0.59 -1.57 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 2kuf n VAL 603 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2kuf n VAL 604 N 3.47 0.79 -3.66 2.52 0.24 -1.03 -2.99 118.33 117.66 2kuf n VAL 604 Ca 0.17 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 2kuf n VAL 604 Cb 0.29 -0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 32.09 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kuf s TYR 605 N -2.46 -0.64 0.01 6.34 5.04 -1.20 -4.91 117.35 119.54 2kuf s TYR 605 Ca -0.07 1.49 0.07 0.00 -2.44 0.00 0.00 57.07 56.13 2kuf s TYR 605 Cb 0.05 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 2kuf s TYR 605 CO 0.58 -0.35 -0.23 1.14 -1.34 0.00 0.00 175.55 175.35 2kuf s GLN 606 N 0.06 1.71 0.11 4.97 -2.07 -1.26 -0.12 119.66 123.06 2kuf s GLN 606 Ca -0.02 -0.90 -0.22 0.00 -1.82 0.00 0.00 55.36 52.41 2kuf s GLN 606 Cb -0.04 -1.74 -0.09 0.00 -1.09 0.00 0.00 33.01 30.05 2kuf s GLN 606 CO 0.02 0.47 1.72 -0.97 -1.32 0.00 0.00 175.29 175.21 2kuf h ASN 607 N 5.25 -0.10 -3.37 12.60 -1.24 -1.30 -3.39 115.58 124.03 2kuf h ASN 607 Ca -0.42 0.03 -0.58 0.00 0.71 0.00 0.00 56.30 56.04 2kuf h ASN 607 Cb 1.14 0.06 -0.08 0.00 0.73 0.00 0.00 38.32 40.18 2kuf h ASN 607 CO 0.46 -0.04 -0.02 -2.16 -1.29 0.00 0.00 177.43 174.38 2kuf s PRO 608 N -6.19 4.33 0.56 6.67 0.05 -1.26 -5.06 135.00 134.09 2kuf s PRO 608 Ca -0.13 0.60 -0.19 0.00 0.05 0.00 0.00 61.00 61.33 2kuf s PRO 608 Cb 0.08 -3.48 -0.05 0.00 0.05 0.00 0.00 34.50 31.10 2kuf s PRO 608 CO 0.67 0.03 1.12 -1.25 0.05 0.00 0.00 177.00 177.61 2kuf s PRO 609 N 1.01 3.30 0.30 0.56 0.04 -1.26 -4.97 135.00 133.98 2kuf s PRO 609 Ca 0.29 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 2kuf s PRO 609 Cb -0.16 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2kuf s PRO 609 CO 0.12 -0.88 1.58 0.00 0.04 0.00 0.00 177.00 177.86 2kuf s ALA 610 N -1.91 3.72 0.00 8.56 0.00 -1.26 -2.39 121.76 128.49 2kuf s ALA 610 Ca 0.71 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2kuf s ALA 610 Cb -0.22 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2kuf s ALA 610 CO 0.29 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2kuf n GLY 611 N 1.97 0.91 3.95 0.00 0.00 0.01 -4.98 105.19 107.04 2kuf n GLY 611 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.14 3.02 -0.30 2.61 -1.32 -1.00 -4.63 115.64 111.88 2kuf s THR 612 Ca 0.00 -0.41 -0.20 0.00 -1.21 0.00 0.00 61.69 59.87 2kuf s THR 612 Cb 0.00 -3.18 -0.01 0.00 -1.51 0.00 0.00 72.50 67.80 2kuf s THR 612 CO 0.00 -0.15 0.61 -0.83 -2.21 0.00 0.00 174.62 172.03 2kuf s GLY 613 N -4.38 1.79 -0.06 6.08 0.00 -1.26 -0.85 107.32 108.64 2kuf s GLY 613 Ca 0.56 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 2kuf s GLY 613 CO 0.41 1.42 0.12 -1.34 0.00 0.00 0.00 173.10 173.70 2kuf s VAL 614 N 2.55 5.14 1.04 1.40 -7.23 0.06 -4.76 120.40 118.61 2kuf s VAL 614 Ca 0.24 -0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.17 2kuf s VAL 614 Cb -0.15 -3.29 0.05 0.00 0.56 0.00 0.00 36.38 33.55 2kuf s VAL 614 CO 0.12 0.49 0.06 -0.46 -0.31 0.00 0.00 175.10 175.00 2kuf n ASN 615 N 1.59 -2.47 0.27 4.85 6.94 -1.26 -0.85 115.26 124.33 2kuf n ASN 615 Ca -0.16 0.09 0.16 0.00 -0.02 0.00 0.00 54.58 54.64 2kuf n ASN 615 Cb 0.54 -1.03 0.90 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.76 0.00 -0.00 -3.83 0.11 -1.78 0.39 114.38 107.51 2kuf h ARG 616 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kuf h ARG 616 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2kuf h ARG 616 CO 0.35 0.00 -0.04 -0.25 0.10 0.00 0.00 179.97 180.13 2kuf n ASP 617 N -3.79 0.05 0.00 0.08 8.00 -1.26 -4.67 116.55 114.95 2kuf n ASP 617 Ca -0.01 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2kuf n ASP 617 Cb 0.17 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kuf n GLY 618 N 1.46 0.38 3.66 0.44 0.00 0.14 -2.49 105.19 108.77 2kuf n GLY 618 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.93 3.86 -0.05 -0.61 -1.16 -1.26 -4.79 121.20 115.26 2kuf s ILE 619 Ca 0.00 1.04 0.04 0.00 -0.51 0.00 0.00 60.65 61.22 2kuf s ILE 619 Cb 0.00 -3.69 -0.00 0.00 0.61 0.00 0.00 42.46 39.38 2kuf s ILE 619 CO 0.00 -0.12 -0.17 0.27 -2.81 0.00 0.00 174.94 172.11 2kuf s ILE 620 N 3.96 1.46 -0.12 2.00 -5.25 -1.26 -4.91 121.20 117.08 2kuf s ILE 620 Ca 0.66 -0.72 -0.06 0.00 -0.99 0.00 0.00 60.65 59.54 2kuf s ILE 620 Cb -0.28 -1.27 -0.04 0.00 2.95 0.00 0.00 42.46 43.83 2kuf s ILE 620 CO 0.24 0.42 0.11 0.28 -1.79 0.00 0.00 174.94 174.20 2kuf s THR 621 N 0.16 5.24 0.20 8.37 -1.32 -1.26 -3.92 115.64 123.11 2kuf s THR 621 Ca -0.07 0.11 -0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2kuf s THR 621 Cb -0.13 -3.28 -0.04 0.00 -1.51 0.00 0.00 72.50 67.54 2kuf s THR 621 CO 0.03 0.60 0.10 -1.48 -2.21 0.00 0.00 174.62 171.67 2kuf s LEU 622 N -0.89 1.42 -0.04 9.08 0.05 -1.08 -0.72 118.68 126.51 2kuf s LEU 622 Ca 0.14 -1.34 0.05 0.00 0.05 0.00 0.00 54.13 53.03 2kuf s LEU 622 Cb -0.12 0.27 -0.01 0.00 -2.05 0.00 0.00 46.19 44.28 2kuf s LEU 622 CO 0.03 -0.78 -0.20 0.00 -0.55 0.00 0.00 176.35 174.85 2kuf s ARG 623 N -4.10 1.91 0.19 1.48 1.70 0.83 0.42 118.95 121.38 2kuf s ARG 623 Ca 0.35 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.90 2kuf s ARG 623 Cb 0.07 -1.71 -0.05 0.00 -0.57 0.00 0.00 34.95 32.69 2kuf s ARG 623 CO 0.10 0.35 0.04 0.12 -1.08 0.00 0.00 175.30 174.83 2kuf s PHE 624 N -0.20 1.23 0.00 5.89 2.19 -0.64 -2.47 117.98 123.97 2kuf s PHE 624 Ca 0.01 -1.11 0.00 0.00 0.33 0.00 0.00 56.93 56.15 2kuf s PHE 624 Cb -0.11 -0.70 0.00 0.00 -1.31 0.00 0.00 43.02 40.90 2kuf s PHE 624 CO 0.01 -0.31 0.00 0.41 1.83 0.00 0.00 175.22 177.16 2kuf n GLY 625 N -0.27 1.12 0.89 13.12 0.00 -0.93 -2.29 105.19 116.83 2kuf n GLY 625 Ca -0.04 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14