#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 4.51 -1.22 1.61 0.02 -1.26 -3.41 135.00 135.25 2kuf s PRO 492 Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.76 2kuf s PRO 492 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2kuf s PRO 492 CO 0.00 0.11 0.00 0.00 -0.33 0.00 0.00 177.00 176.78 2kuf n ALA 493 N 0.86 -0.17 -2.93 -1.55 0.00 -1.26 -4.93 120.51 110.52 2kuf n ALA 493 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 2kuf n ALA 493 Cb 0.46 -1.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.96 0.03 -0.01 0.00 -4.23 -1.22 -0.77 115.64 107.48 2kuf s THR 494 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2kuf s THR 494 Cb 0.00 -0.12 0.01 0.00 1.34 0.00 0.00 72.50 73.74 2kuf s THR 494 CO 0.00 -0.11 0.00 -0.54 -0.54 0.00 0.00 174.62 173.43 2kuf s LYS 495 N -0.34 0.13 0.27 3.99 1.02 0.81 -3.45 119.74 122.17 2kuf s LYS 495 Ca -0.04 0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.78 2kuf s LYS 495 Cb -0.02 -0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 36.96 2kuf s LYS 495 CO -0.00 -0.06 0.80 0.16 -0.92 0.00 0.00 175.35 175.33 2kuf s ASP 496 N 0.50 7.13 -0.31 2.83 -4.77 -1.26 -1.54 116.67 119.25 2kuf s ASP 496 Ca -0.04 1.55 -0.20 0.00 -3.30 0.00 0.00 52.55 50.56 2kuf s ASP 496 Cb -0.07 -2.47 -0.01 0.00 -1.09 0.00 0.00 42.92 39.28 2kuf s ASP 496 CO -0.01 -0.03 0.63 0.27 0.70 0.00 0.00 175.17 176.73 2kuf s ILE 497 N -1.60 4.93 0.84 2.11 -4.36 -1.03 -4.93 121.20 117.16 2kuf s ILE 497 Ca 0.47 0.81 -0.10 0.00 -0.26 0.00 0.00 60.65 61.56 2kuf s ILE 497 Cb -0.17 -4.01 0.10 0.00 1.25 0.00 0.00 42.46 39.63 2kuf s ILE 497 CO 0.21 -0.17 1.11 -2.84 0.24 0.00 0.00 174.94 173.49 2kuf s PRO 498 N 2.63 1.66 -0.30 0.37 0.02 -1.26 -1.04 135.00 137.08 2kuf s PRO 498 Ca 0.25 1.27 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 2kuf s PRO 498 Cb -0.15 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 2kuf s PRO 498 CO 0.12 -2.10 1.78 0.16 -0.33 0.00 0.00 177.00 176.64 2kuf s ASP 499 N -3.11 5.98 -0.49 2.53 -4.77 -1.26 -4.76 116.67 110.79 2kuf s ASP 499 Ca 0.63 1.41 0.08 0.00 -3.30 0.00 0.00 52.55 51.37 2kuf s ASP 499 Cb -0.19 -2.53 0.30 0.00 -1.09 0.00 0.00 42.92 39.41 2kuf s ASP 499 CO 0.57 -1.62 0.73 1.33 0.70 0.00 0.00 175.17 176.88 2kuf n VAL 500 N 7.22 1.10 -3.75 2.11 0.24 -1.26 -4.98 118.33 119.01 2kuf n VAL 500 Ca 0.22 -4.83 -0.30 0.00 -2.04 0.00 0.00 64.34 57.39 2kuf n VAL 500 Cb 0.46 -1.44 -0.14 0.00 -1.47 0.00 0.00 33.84 31.25 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 -2.36 2.11 0.00 2.33 0.00 -1.26 -4.17 121.76 118.42 2kuf s ALA 501 Ca 0.41 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2kuf s ALA 501 Cb 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2kuf s ALA 501 CO -0.08 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.15 2kuf n GLY 502 N 3.91 1.81 0.11 0.00 0.00 -0.83 -4.93 105.19 105.26 2kuf n GLY 502 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 0.46 -1.82 1.61 0.00 -1.26 -4.67 117.38 111.70 2kuf n GLN 503 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 57.00 56.60 2kuf n GLN 503 Cb 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 30.24 30.25 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kuf s THR 504 N -0.12 3.51 0.22 -0.39 2.01 -1.26 -0.66 115.64 118.95 2kuf s THR 504 Ca 0.02 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 2kuf s THR 504 Cb -0.00 -3.21 0.18 0.00 0.01 0.00 0.00 72.50 69.47 2kuf s THR 504 CO 0.01 -0.46 1.88 1.62 -0.69 0.00 0.00 174.62 176.98 2kuf h VAL 505 N 0.05 1.22 -0.72 3.82 3.04 -1.00 0.23 116.25 122.89 2kuf h VAL 505 Ca -0.46 -0.43 -0.05 0.00 -1.01 0.00 0.00 66.70 64.75 2kuf h VAL 505 Cb 1.23 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.53 2kuf h VAL 505 CO 0.55 0.22 0.24 -0.78 -1.01 0.00 0.00 177.57 176.79 2kuf h ASP 506 N 1.11 1.03 -0.40 3.17 1.82 -1.92 0.61 116.42 121.83 2kuf h ASP 506 Ca 0.29 -0.20 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 2kuf h ASP 506 Cb -0.09 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.64 2kuf h ASP 506 CO -0.06 0.95 -0.06 0.58 -1.61 0.00 0.00 179.24 179.03 2kuf h VAL 507 N 1.05 1.27 -0.47 2.25 2.07 -1.78 0.20 116.25 120.84 2kuf h VAL 507 Ca 0.23 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2kuf h VAL 507 Cb 0.27 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2kuf h VAL 507 CO -0.01 0.38 0.29 0.00 0.02 0.00 0.00 177.57 178.25 2kuf h ALA 508 N 0.86 0.59 -0.50 1.67 0.00 -0.07 0.33 119.26 122.14 2kuf h ALA 508 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kuf h ALA 508 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kuf h ALA 508 CO 0.03 -0.00 0.07 1.96 0.00 0.00 0.00 179.25 181.31 2kuf h GLN 509 N 0.59 0.83 -0.39 0.00 4.20 -0.60 -0.23 115.11 119.51 2kuf h GLN 509 Ca 0.18 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2kuf h GLN 509 Cb -0.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2kuf h GLN 509 CO -0.06 0.83 0.21 0.87 -0.67 0.00 0.00 178.83 180.01 2kuf h LYS 510 N 0.71 0.55 -0.76 1.46 1.79 -0.18 0.81 116.57 120.94 2kuf h LYS 510 Ca 0.15 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2kuf h LYS 510 Cb 0.41 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 2kuf h LYS 510 CO 0.01 0.45 0.40 -0.91 -1.08 0.00 0.00 179.45 178.32 2kuf h ASN 511 N 0.50 0.96 -0.17 0.86 2.35 -0.03 0.03 115.58 120.09 2kuf h ASN 511 Ca 0.14 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2kuf h ASN 511 Cb 0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2kuf h ASN 511 CO -0.02 0.80 -0.07 0.25 -1.65 0.00 0.00 177.43 176.74 2kuf h LEU 512 N 1.06 0.35 -1.29 1.61 7.12 -0.83 -3.17 115.31 120.16 2kuf h LEU 512 Ca 0.26 -0.40 -0.02 0.00 0.13 0.00 0.00 57.88 57.86 2kuf h LEU 512 Cb 0.06 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 2kuf h LEU 512 CO -0.04 0.67 0.25 -1.13 -0.13 0.00 0.00 178.44 178.06 2kuf h ASN 513 N 0.03 0.67 -0.93 1.25 -0.00 -0.16 0.14 115.58 116.58 2kuf h ASN 513 Ca 0.04 -0.06 0.06 0.00 -0.00 0.00 0.00 56.30 56.34 2kuf h ASN 513 Cb 0.53 -0.17 -0.06 0.00 -0.00 0.00 0.00 38.32 38.62 2kuf h ASN 513 CO 0.02 0.57 0.60 0.58 -0.00 0.00 0.00 177.43 179.21 2kuf h VAL 514 N 0.74 1.09 -0.01 2.57 2.07 -0.98 0.28 116.25 122.01 2kuf h VAL 514 Ca 0.19 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kuf h VAL 514 Cb 0.08 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2kuf h VAL 514 CO -0.02 0.20 -0.28 -1.22 0.02 0.00 0.00 177.57 176.27 2kuf n TYR 515 N -4.48 0.00 0.02 1.57 4.01 -0.85 -4.70 117.16 112.73 2kuf n TYR 515 Ca 0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.86 2kuf n TYR 515 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.14 -0.13 2.39 2.72 0.00 0.43 -4.99 105.19 106.75 2kuf n GLY 516 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.62 -0.57 -1.91 1.61 3.72 0.95 -4.99 117.46 112.66 2kuf n PHE 517 Ca -0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.16 2kuf n PHE 517 Cb 0.16 -3.34 0.13 0.00 -0.94 0.00 0.00 39.48 35.49 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 -3.52 0.00 -4.45 4.37 -2.24 -1.26 -5.07 114.28 102.11 2kuf n THR 518 Ca -0.20 -0.84 -0.35 0.00 -2.27 0.00 0.00 64.05 60.40 2kuf n THR 518 Cb 0.63 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -4.92 2.93 0.07 -0.78 3.01 -1.25 -4.93 119.74 113.88 2kuf s LYS 519 Ca 0.53 -0.45 0.06 0.00 -1.01 0.00 0.00 55.97 55.10 2kuf s LYS 519 Cb -0.02 -2.74 -0.03 0.00 -1.01 0.00 0.00 37.83 34.03 2kuf s LYS 519 CO 0.37 0.68 -0.16 -0.59 0.51 0.00 0.00 175.35 176.16 2kuf s PHE 520 N -0.82 1.36 0.03 3.18 -0.12 -1.26 -0.19 117.98 120.15 2kuf s PHE 520 Ca 0.13 -0.43 -0.00 0.00 -0.05 0.00 0.00 56.93 56.57 2kuf s PHE 520 Cb -0.11 -0.77 -0.02 0.00 -0.63 0.00 0.00 43.02 41.49 2kuf s PHE 520 CO 0.02 0.09 -0.03 -1.12 -0.05 0.00 0.00 175.22 174.13 2kuf s SER 521 N -1.65 0.31 0.01 1.98 0.01 0.12 -4.89 113.70 109.59 2kuf s SER 521 Ca 0.01 -0.62 0.07 0.00 1.31 0.00 0.00 55.95 56.72 2kuf s SER 521 Cb -0.10 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2kuf s SER 521 CO 0.02 -0.37 -0.23 0.00 0.41 0.00 0.00 173.24 173.08 2kuf s GLN 522 N -2.06 1.69 0.02 12.44 -2.07 -1.26 -0.12 119.66 128.30 2kuf s GLN 522 Ca -0.10 -0.89 0.03 0.00 -1.82 0.00 0.00 55.36 52.58 2kuf s GLN 522 Cb -0.06 -1.72 -0.01 0.00 -1.09 0.00 0.00 33.01 30.13 2kuf s GLN 522 CO -0.03 0.46 -0.11 0.00 -1.32 0.00 0.00 175.29 174.29 2kuf s ALA 523 N -0.65 0.89 -0.12 2.60 0.00 -0.02 -4.92 121.76 119.54 2kuf s ALA 523 Ca 0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 2kuf s ALA 523 Cb -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2kuf s ALA 523 CO 0.00 0.17 0.08 -1.54 0.00 0.00 0.00 175.76 174.47 2kuf s SER 524 N -0.72 5.84 0.12 0.00 1.04 -1.26 -0.05 113.70 118.67 2kuf s SER 524 Ca 0.01 0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.82 2kuf s SER 524 Cb -0.06 -1.83 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 2kuf s SER 524 CO 0.00 0.35 -0.25 0.54 0.98 0.00 0.00 173.24 174.87 2kuf s VAL 525 N -0.71 2.10 0.23 5.02 0.11 0.79 -4.88 120.40 123.05 2kuf s VAL 525 Ca 0.12 -1.68 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 2kuf s VAL 525 Cb -0.12 -1.87 -0.09 0.00 -1.53 0.00 0.00 36.38 32.78 2kuf s VAL 525 CO 0.03 0.07 1.19 1.51 -3.33 0.00 0.00 175.10 174.56 2kuf s ASP 526 N -1.96 7.09 0.13 3.54 -4.77 -1.26 -0.21 116.67 119.23 2kuf s ASP 526 Ca 0.12 2.31 -0.16 0.00 -3.30 0.00 0.00 52.55 51.51 2kuf s ASP 526 Cb -0.10 -2.62 0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2kuf s ASP 526 CO 0.05 -0.34 0.40 -0.44 0.70 0.00 0.00 175.17 175.54 2kuf s SER 527 N -0.21 -0.23 0.00 2.11 0.01 0.61 -4.78 113.70 111.21 2kuf s SER 527 Ca 0.50 -0.33 0.24 0.00 1.31 0.00 0.00 55.95 57.67 2kuf s SER 527 Cb -0.33 0.47 1.32 0.00 0.21 0.00 0.00 66.02 67.69 2kuf s SER 527 CO 0.40 -0.85 1.79 -2.65 0.41 0.00 0.00 173.24 172.34 2kuf n PRO 528 N -0.22 0.56 -3.68 12.44 -0.02 -1.26 -3.48 135.00 139.33 2kuf n PRO 528 Ca -0.16 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 2kuf n PRO 528 Cb 0.64 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 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 -2.28 3.57 0.54 -0.52 3.00 -1.26 -4.90 118.95 117.10 2kuf s ARG 529 Ca 0.30 -0.21 -0.21 0.00 0.00 0.00 0.00 55.73 55.60 2kuf s ARG 529 Cb 0.16 -2.85 -0.06 0.00 0.00 0.00 0.00 34.95 32.21 2kuf s ARG 529 CO 0.32 0.44 1.20 -2.30 0.00 0.00 0.00 175.30 174.95 2kuf n PRO 530 N -0.25 1.44 -1.61 3.54 -0.02 -1.26 -1.93 135.00 134.91 2kuf n PRO 530 Ca -0.03 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.62 2kuf n PRO 530 Cb 0.53 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 531 N -1.34 1.66 0.00 3.55 0.00 -1.18 -2.58 121.76 121.87 2kuf s ALA 531 Ca 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2kuf s ALA 531 Cb -0.44 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.33 2kuf s ALA 531 CO 0.50 -4.44 0.00 0.41 0.00 0.00 0.00 175.76 172.23 2kuf n GLY 532 N 5.99 0.26 3.78 0.00 0.00 -0.92 -4.97 105.19 109.33 2kuf n GLY 532 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 4.22 -0.28 1.61 2.12 -1.07 -0.42 118.70 124.88 2kuf s GLU 533 Ca 0.00 1.61 -0.19 0.00 0.36 0.00 0.00 54.97 56.75 2kuf s GLU 533 Cb 0.00 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 2kuf s GLU 533 CO 0.00 -0.11 0.57 0.54 -0.54 0.00 0.00 175.26 175.72 2kuf s VAL 534 N -1.54 5.01 0.07 3.70 0.11 0.17 0.54 120.40 128.45 2kuf s VAL 534 Ca 0.56 0.86 0.23 0.00 -2.93 0.00 0.00 61.98 60.70 2kuf s VAL 534 Cb -0.25 -3.92 0.23 0.00 -1.53 0.00 0.00 36.38 30.91 2kuf s VAL 534 CO 0.31 -0.03 1.78 0.74 -3.33 0.00 0.00 175.10 174.57 2kuf h THR 535 N 5.47 0.52 0.00 5.04 2.02 -0.69 -2.20 112.91 123.07 2kuf h THR 535 Ca -0.28 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2kuf h THR 535 Cb 1.13 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2kuf h THR 535 CO 0.76 0.23 0.00 0.61 0.37 0.00 0.00 175.52 177.48 2kuf n GLY 536 N 0.32 0.78 3.54 2.16 0.00 -1.20 -4.79 105.19 106.00 2kuf n GLY 536 Ca 0.01 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.53 2.94 0.01 2.61 -4.23 -1.26 -0.10 115.64 112.08 2kuf s THR 537 Ca 0.00 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.23 2kuf s THR 537 Cb 0.00 -2.52 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 2kuf s THR 537 CO 0.00 -0.29 1.29 -1.13 -0.54 0.00 0.00 174.62 173.96 2kuf h ASN 538 N 2.42 -0.29 -4.09 3.99 -0.73 -1.65 -3.44 115.58 111.79 2kuf h ASN 538 Ca -0.44 -0.19 -0.51 0.00 1.87 0.00 0.00 56.30 57.02 2kuf h ASN 538 Cb 1.24 0.07 0.09 0.00 0.27 0.00 0.00 38.32 39.99 2kuf h ASN 538 CO 0.57 0.06 0.45 -2.16 -0.37 0.00 0.00 177.43 175.98 2kuf s PRO 539 N -4.78 3.21 0.34 6.67 0.04 -1.26 -4.96 135.00 134.25 2kuf s PRO 539 Ca -0.14 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 2kuf s PRO 539 Cb 0.02 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 2kuf s PRO 539 CO 0.57 -0.99 1.40 -2.14 0.04 0.00 0.00 177.00 175.88 2kuf s PRO 540 N -3.27 4.24 0.27 0.56 0.02 -1.26 -4.96 135.00 130.60 2kuf s PRO 540 Ca 0.74 2.38 -0.29 0.00 0.02 0.00 0.00 61.00 63.85 2kuf s PRO 540 Cb -0.27 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.12 2kuf s PRO 540 CO 0.30 -0.36 1.32 0.00 -0.33 0.00 0.00 177.00 177.93 2kuf s ALA 541 N -0.99 3.52 0.00 -1.55 0.00 -1.26 -2.35 121.76 119.14 2kuf s ALA 541 Ca 0.52 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kuf s ALA 541 Cb -0.43 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kuf s ALA 541 CO 0.56 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2kuf n GLY 542 N 1.55 1.36 3.79 0.00 0.00 -0.20 -5.00 105.19 106.68 2kuf n GLY 542 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.32 4.77 0.21 2.61 2.01 -0.99 -4.76 115.64 117.17 2kuf s THR 543 Ca 0.00 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 2kuf s THR 543 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2kuf s THR 543 CO 0.00 0.49 1.12 0.28 -0.69 0.00 0.00 174.62 175.82 2kuf s THR 544 N -0.71 3.71 0.11 -0.82 -1.32 -1.26 -2.47 115.64 112.87 2kuf s THR 544 Ca 0.31 1.53 0.05 0.00 -1.21 0.00 0.00 61.69 62.37 2kuf s THR 544 Cb -0.19 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 66.78 2kuf s THR 544 CO 0.19 0.29 -0.13 0.68 -2.21 0.00 0.00 174.62 173.44 2kuf s VAL 545 N -0.46 1.16 0.31 5.08 -7.23 -0.59 -4.91 120.40 113.77 2kuf s VAL 545 Ca 0.49 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 2kuf s VAL 545 Cb -0.31 -1.42 -0.11 0.00 0.56 0.00 0.00 36.38 35.10 2kuf s VAL 545 CO 0.37 -0.45 1.52 -2.16 -0.31 0.00 0.00 175.10 174.06 2kuf s PRO 546 N -2.63 4.16 0.54 4.82 0.04 -1.26 -0.14 135.00 140.53 2kuf s PRO 546 Ca 0.07 2.51 0.30 0.00 0.04 0.00 0.00 61.00 63.92 2kuf s PRO 546 Cb -0.05 -3.02 1.50 0.00 0.04 0.00 0.00 34.50 32.97 2kuf s PRO 546 CO 0.02 -0.54 2.07 -0.24 0.04 0.00 0.00 177.00 178.34 2kuf h VAL 547 N 3.27 0.39 0.00 -0.36 3.04 -1.26 -1.75 116.25 119.58 2kuf h VAL 547 Ca -0.48 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2kuf h VAL 547 Cb 1.23 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2kuf h VAL 547 CO 0.74 0.09 0.00 -0.78 -1.01 0.00 0.00 177.57 176.61 2kuf h ASP 548 N 0.00 0.00 -4.39 3.17 3.58 -1.91 -3.43 116.42 113.45 2kuf h ASP 548 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 2kuf h ASP 548 Cb 0.37 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.51 2kuf h ASP 548 CO 0.01 0.00 0.40 -0.55 -2.88 0.00 0.00 179.24 176.22 2kuf s SER 549 N -5.30 5.49 -0.12 2.28 0.15 -0.66 -4.89 113.70 110.65 2kuf s SER 549 Ca 0.08 1.32 -0.09 0.00 0.70 0.00 0.00 55.95 57.96 2kuf s SER 549 Cb 0.09 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2kuf s SER 549 CO 0.60 -1.34 0.19 0.54 1.20 0.00 0.00 173.24 174.44 2kuf s VAL 550 N -3.22 5.40 -0.14 4.45 0.11 -1.26 -3.91 120.40 121.84 2kuf s VAL 550 Ca 0.58 0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 59.89 2kuf s VAL 550 Cb -0.12 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2kuf s VAL 550 CO 0.53 0.57 0.12 -0.63 -3.33 0.00 0.00 175.10 172.36 2kuf s ILE 551 N -0.71 5.33 -0.29 7.04 1.01 0.73 -4.97 121.20 129.34 2kuf s ILE 551 Ca 0.15 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.86 2kuf s ILE 551 Cb -0.13 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2kuf s ILE 551 CO 0.05 0.58 0.15 -0.70 0.00 0.00 0.00 174.94 175.01 2kuf s GLU 552 N -0.67 3.59 -0.27 2.79 2.56 -1.26 -0.70 118.70 124.74 2kuf s GLU 552 Ca 0.13 -0.55 -0.10 0.00 0.00 0.00 0.00 54.97 54.45 2kuf s GLU 552 Cb -0.12 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.41 2kuf s GLU 552 CO 0.02 -0.30 0.16 -0.51 -0.56 0.00 0.00 175.26 174.07 2kuf s LEU 553 N 1.66 3.89 -0.19 2.70 2.01 0.83 -1.51 118.68 128.07 2kuf s LEU 553 Ca 0.06 -0.05 -0.23 0.00 0.01 0.00 0.00 54.13 53.92 2kuf s LEU 553 Cb -0.16 -2.07 -0.02 0.00 0.01 0.00 0.00 46.19 43.95 2kuf s LEU 553 CO 0.07 -0.04 0.74 -1.10 1.01 0.00 0.00 176.35 177.04 2kuf s GLN 554 N 1.68 4.25 -0.14 1.70 1.11 0.86 -0.84 119.66 128.28 2kuf s GLN 554 Ca 0.07 0.84 -0.13 0.00 0.01 0.00 0.00 55.36 56.14 2kuf s GLN 554 Cb -0.16 -3.58 -0.05 0.00 -1.01 0.00 0.00 33.01 28.21 2kuf s GLN 554 CO 0.09 -0.31 0.30 0.08 0.01 0.00 0.00 175.29 175.46 2kuf s VAL 555 N 2.12 5.28 -0.29 1.09 1.01 0.93 0.04 120.40 130.58 2kuf s VAL 555 Ca 0.34 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 2kuf s VAL 555 Cb -0.16 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kuf s VAL 555 CO 0.11 0.43 1.08 -0.44 0.00 0.00 0.00 175.10 176.28 2kuf s SER 556 N 0.15 6.96 -0.17 3.32 0.01 0.19 -0.15 113.70 124.01 2kuf s SER 556 Ca 0.18 1.16 -0.05 0.00 1.31 0.00 0.00 55.95 58.54 2kuf s SER 556 Cb -0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2kuf s SER 556 CO 0.05 -0.83 -0.00 -1.59 0.41 0.00 0.00 173.24 171.28 2kuf s LYS 557 N 3.56 3.74 0.60 12.44 -2.85 0.71 -2.16 119.74 135.78 2kuf s LYS 557 Ca 0.46 -0.47 0.31 0.00 -1.00 0.00 0.00 55.97 55.26 2kuf s LYS 557 Cb -0.13 -3.03 1.81 0.00 -2.06 0.00 0.00 37.83 34.42 2kuf s LYS 557 CO 0.13 0.20 2.20 0.78 0.10 0.00 0.00 175.35 178.76 2kuf h GLY 558 N 6.87 0.00 0.00 0.59 0.00 -1.42 0.17 103.07 109.29 2kuf h GLY 558 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2kuf h GLY 558 CO 0.64 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.17 2kuf n ASN 559 N -3.74 0.00 -4.55 0.19 2.85 -1.26 -4.62 115.26 104.12 2kuf n ASN 559 Ca -0.01 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 2kuf n ASN 559 Cb 0.18 -0.75 -0.10 0.00 1.24 0.00 0.00 39.78 40.34 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 -0.30 2.06 0.22 1.20 -0.21 -1.26 -0.58 119.66 120.78 2kuf s GLN 560 Ca 0.00 -1.05 0.09 0.00 0.02 0.00 0.00 55.36 54.42 2kuf s GLN 560 Cb 0.00 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 2kuf s GLN 560 CO 0.00 0.50 -0.17 -0.59 -2.12 0.00 0.00 175.29 172.91 2kuf s PHE 561 N -1.18 1.92 -0.03 0.91 -0.12 0.61 -4.87 117.98 115.22 2kuf s PHE 561 Ca 0.20 -0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 2kuf s PHE 561 Cb -0.11 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 2kuf s PHE 561 CO 0.12 0.46 1.15 0.54 -0.05 0.00 0.00 175.22 177.45 2kuf s VAL 562 N -2.60 4.33 -0.09 -2.49 0.11 -1.26 -0.82 120.40 117.58 2kuf s VAL 562 Ca 0.23 1.66 -0.30 0.00 -2.93 0.00 0.00 61.98 60.64 2kuf s VAL 562 Cb -0.03 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.74 2kuf s VAL 562 CO 0.09 0.05 1.08 -0.32 -3.33 0.00 0.00 175.10 172.67 2kuf s MET 563 N 1.78 4.39 0.90 1.54 1.75 0.47 -4.93 119.30 125.20 2kuf s MET 563 Ca 0.55 1.50 -0.12 0.00 -1.25 0.00 0.00 55.69 56.37 2kuf s MET 563 Cb -0.25 -3.55 0.13 0.00 2.84 0.00 0.00 34.83 34.00 2kuf s MET 563 CO 0.24 -0.38 1.13 -1.25 -0.65 0.00 0.00 175.02 174.11 2kuf s PRO 564 N 2.13 1.20 -0.31 4.11 0.04 -1.26 -0.58 135.00 140.32 2kuf s PRO 564 Ca 0.51 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 2kuf s PRO 564 Cb -0.21 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kuf s PRO 564 CO 0.19 -2.17 0.74 0.16 0.04 0.00 0.00 177.00 175.96 2kuf s ASP 565 N -3.98 6.60 0.00 6.66 -4.77 -1.26 -4.63 116.67 115.29 2kuf s ASP 565 Ca 0.64 0.55 0.03 0.00 -3.30 0.00 0.00 52.55 50.46 2kuf s ASP 565 Cb -0.15 -2.38 0.07 0.00 -1.09 0.00 0.00 42.92 39.37 2kuf s ASP 565 CO 0.54 -0.59 1.02 0.00 0.70 0.00 0.00 175.17 176.84 2kuf n LEU 566 N 6.14 2.15 -4.80 2.11 -0.00 -1.26 -5.01 117.00 116.32 2kuf n LEU 566 Ca 0.02 -1.91 -0.35 0.00 -0.00 0.00 0.00 56.01 53.77 2kuf n LEU 566 Cb 0.48 -0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 2kuf n LEU 566 CO 0.50 0.53 0.62 -0.55 -0.00 0.00 0.00 177.39 178.49 2kuf s SER 567 N -0.93 7.11 -0.73 1.45 0.15 -1.26 -4.26 113.70 115.23 2kuf s SER 567 Ca 0.06 1.72 -0.03 0.00 0.70 0.00 0.00 55.95 58.40 2kuf s SER 567 Cb 0.03 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2kuf s SER 567 CO 0.04 -0.20 0.63 0.61 1.20 0.00 0.00 173.24 175.52 2kuf n GLY 568 N -0.02 -0.34 3.90 9.45 0.00 -1.09 -5.01 105.19 112.08 2kuf n GLY 568 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.24 1.32 0.43 1.61 0.23 -1.26 -4.96 119.30 112.42 2kuf s MET 569 Ca 0.21 -0.86 0.08 0.00 -1.03 0.00 0.00 55.69 54.09 2kuf s MET 569 Cb -0.03 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 2kuf s MET 569 CO 0.49 -0.62 0.58 -0.06 -2.03 0.00 0.00 175.02 173.38 2kuf s PHE 570 N -2.08 2.73 0.40 3.16 0.08 -1.26 -0.07 117.98 120.94 2kuf s PHE 570 Ca 0.23 -0.42 0.20 0.00 0.12 0.00 0.00 56.93 57.06 2kuf s PHE 570 Cb -0.03 -2.37 1.10 0.00 -0.57 0.00 0.00 43.02 41.16 2kuf s PHE 570 CO 0.06 -0.45 1.97 2.35 -0.10 0.00 0.00 175.22 179.04 2kuf h TRP 571 N 0.62 0.00 0.00 0.36 2.91 -1.90 -0.08 115.95 117.86 2kuf h TRP 571 Ca -0.39 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2kuf h TRP 571 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2kuf h TRP 571 CO 0.40 0.21 0.00 1.55 -1.03 0.00 0.00 178.44 179.58 2kuf n VAL 572 N -3.93 0.82 -0.11 2.65 3.14 -1.26 -0.65 118.33 119.00 2kuf n VAL 572 Ca -0.02 0.18 -0.15 0.00 -2.96 0.00 0.00 64.34 61.40 2kuf n VAL 572 Cb 0.30 -1.04 -0.14 0.00 -1.06 0.00 0.00 33.84 31.90 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 -2.01 1.19 -0.29 6.55 8.00 -0.20 -4.32 116.55 125.47 2kuf n ASP 573 Ca 0.03 -0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.42 2kuf n ASP 573 Cb 0.23 0.13 0.09 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.42 1.12 0.09 2.24 0.00 -0.64 -2.79 119.26 119.70 2kuf h ALA 574 Ca -0.56 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.20 2kuf h ALA 574 Cb 2.04 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2kuf h ALA 574 CO -0.03 0.65 -0.50 1.49 0.00 0.00 0.00 179.25 180.86 2kuf h GLU 575 N 1.16 -0.68 -0.23 0.00 4.22 -1.07 0.44 114.58 118.42 2kuf h GLU 575 Ca 0.28 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.75 2kuf h GLU 575 Cb 0.15 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kuf h GLU 575 CO -0.03 -0.45 0.07 -1.00 -2.18 0.00 0.00 179.01 175.41 2kuf h PRO 576 N -0.71 0.32 -0.77 0.92 0.13 -1.76 -2.49 132.00 127.64 2kuf h PRO 576 Ca 0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2kuf h PRO 576 Cb 0.73 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 2kuf h PRO 576 CO -0.29 0.29 0.40 0.00 -0.23 0.00 0.00 178.00 178.16 2kuf h ARG 577 N 0.32 1.10 -0.23 0.86 2.47 -0.94 -0.96 114.38 117.00 2kuf h ARG 577 Ca 0.08 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 2kuf h ARG 577 Cb 0.11 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 2kuf h ARG 577 CO -0.01 0.83 0.01 -0.07 0.56 0.00 0.00 179.97 181.29 2kuf h LEU 578 N 1.08 0.39 -0.66 3.04 3.38 -0.51 0.74 115.31 122.76 2kuf h LEU 578 Ca 0.27 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2kuf h LEU 578 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2kuf h LEU 578 CO -0.04 0.59 0.04 0.08 0.09 0.00 0.00 178.44 179.20 2kuf h ARG 579 N 0.17 1.08 -0.15 1.13 0.11 -1.46 -1.56 114.38 113.69 2kuf h ARG 579 Ca 0.07 -0.32 -0.12 0.00 0.10 0.00 0.00 59.98 59.71 2kuf h ARG 579 Cb 0.39 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 2kuf h ARG 579 CO 0.01 1.02 -0.41 0.00 0.10 0.00 0.00 179.97 180.70 2kuf h ALA 580 N 1.04 1.02 0.00 0.08 0.00 -0.94 -2.02 119.26 118.43 2kuf h ALA 580 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kuf h ALA 580 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kuf h ALA 580 CO 0.02 0.61 -0.05 -0.11 0.00 0.00 0.00 179.25 179.72 2kuf n LEU 581 N -4.02 0.08 -2.79 0.00 7.94 0.23 -4.92 117.00 113.52 2kuf n LEU 581 Ca -0.02 0.45 -0.20 0.00 -1.11 0.00 0.00 56.01 55.13 2kuf n LEU 581 Cb 0.49 -0.47 0.04 0.00 0.53 0.00 0.00 43.42 44.01 2kuf n LEU 581 CO 0.43 0.01 0.02 0.61 -1.11 0.00 0.00 177.39 177.34 2kuf n GLY 582 N 1.49 -0.41 3.69 -3.96 0.00 -0.66 -4.96 105.19 100.40 2kuf n GLY 582 Ca 0.07 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.14 3.48 -1.24 1.61 -0.00 -0.79 -4.92 118.94 113.94 2kuf s TRP 583 Ca 0.30 1.53 0.12 0.00 -0.00 0.00 0.00 56.10 58.05 2kuf s TRP 583 Cb -0.13 -3.23 0.27 0.00 -0.00 0.00 0.00 33.47 30.38 2kuf s TRP 583 CO 0.37 -0.44 1.16 -2.37 -0.00 0.00 0.00 176.95 175.67 2kuf n THR 584 N 4.38 0.66 -2.01 5.86 5.66 -1.26 -4.84 114.28 122.73 2kuf n THR 584 Ca 0.09 -0.83 -0.05 0.00 -3.05 0.00 0.00 64.05 60.21 2kuf n THR 584 Cb 0.49 0.76 0.03 0.00 -1.55 0.00 0.00 70.33 70.05 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kuf n GLY 585 N 0.68 0.23 3.72 1.09 0.00 -1.15 -5.04 105.19 104.72 2kuf n GLY 585 Ca 0.11 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.06 3.17 -0.48 1.61 -1.94 -1.26 -5.04 119.30 112.30 2kuf s MET 586 Ca 0.13 -0.34 -0.29 0.00 -1.71 0.00 0.00 55.69 53.49 2kuf s MET 586 Cb -0.01 -2.92 0.03 0.00 2.01 0.00 0.00 34.83 33.94 2kuf s MET 586 CO 0.09 0.69 1.11 -1.17 -0.01 0.00 0.00 175.02 175.73 2kuf s LEU 587 N -0.82 3.68 -0.36 -0.03 0.20 -1.26 -4.52 118.68 115.57 2kuf s LEU 587 Ca 0.13 0.42 -0.17 0.00 0.69 0.00 0.00 54.13 55.20 2kuf s LEU 587 Cb -0.12 -3.51 -0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2kuf s LEU 587 CO 0.03 -1.23 0.44 -0.62 -0.29 0.00 0.00 176.35 174.67 2kuf s ASP 588 N 2.44 6.24 -0.11 3.68 2.15 -1.14 -5.04 116.67 124.89 2kuf s ASP 588 Ca 0.47 -0.23 -0.01 0.00 0.43 0.00 0.00 52.55 53.21 2kuf s ASP 588 Cb -0.07 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2kuf s ASP 588 CO 0.31 -0.44 -0.07 -1.59 -0.17 0.00 0.00 175.17 173.21 2kuf s LYS 589 N 2.20 3.16 0.00 4.34 0.00 -1.26 -1.38 119.74 126.80 2kuf s LYS 589 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 55.97 55.54 2kuf s LYS 589 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 37.83 34.98 2kuf s LYS 589 CO 0.13 0.44 0.00 0.41 0.00 0.00 0.00 175.35 176.33 2kuf n GLY 590 N 2.90 -0.21 3.91 0.59 0.00 -0.51 -4.94 105.19 106.94 2kuf n GLY 590 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.92 3.98 -0.01 4.61 0.00 -1.26 -5.04 121.76 120.12 2kuf s ALA 591 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2kuf s ALA 591 Cb 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 2kuf s ALA 591 CO 0.00 0.80 0.40 0.16 0.00 0.00 0.00 175.76 177.12 2kuf s ASP 592 N -2.38 6.78 0.15 0.00 -4.77 -1.26 -3.41 116.67 111.78 2kuf s ASP 592 Ca 0.34 0.93 0.04 0.00 -3.30 0.00 0.00 52.55 50.57 2kuf s ASP 592 Cb -0.13 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 2kuf s ASP 592 CO 0.26 0.30 0.14 -0.69 0.70 0.00 0.00 175.17 175.88 2kuf s VAL 593 N -0.94 4.57 -0.16 2.11 1.01 0.24 -4.85 120.40 122.39 2kuf s VAL 593 Ca 0.23 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2kuf s VAL 593 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2kuf s VAL 593 CO 0.13 -0.06 1.38 -1.81 0.00 0.00 0.00 175.10 174.73 2kuf s ASP 594 N -2.98 6.82 0.16 3.32 1.11 -1.26 0.04 116.67 123.88 2kuf s ASP 594 Ca 0.31 1.76 0.00 0.00 0.18 0.00 0.00 52.55 54.80 2kuf s ASP 594 Cb -0.11 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.35 2kuf s ASP 594 CO 0.24 -0.86 0.00 0.00 1.18 0.00 0.00 175.17 175.73 2kuf n ALA 595 N 6.94 2.48 0.00 5.23 0.00 -1.26 -4.85 120.51 129.05 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.98 2.24 0.35 0.00 0.00 -1.26 -4.47 105.19 103.03 2kuf n GLY 596 Ca 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 0.38 2.00 -0.02 0.00 -1.89 -0.80 103.07 102.74 2kuf h GLY 597 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2kuf h GLY 597 CO 0.00 0.06 -0.19 0.23 0.00 0.00 0.00 176.54 176.65 2kuf h SER 598 N 0.27 0.00 0.00 0.19 0.87 -2.00 -2.24 113.55 110.63 2kuf h SER 598 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2kuf h SER 598 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2kuf h SER 598 CO -0.05 0.19 -1.16 0.00 -0.53 0.00 0.00 176.83 175.27 2kuf n GLN 599 N -3.44 0.40 -0.95 2.24 1.13 -0.38 -5.09 117.38 111.29 2kuf n GLN 599 Ca -0.00 -0.04 0.12 0.00 -1.94 0.00 0.00 57.00 55.14 2kuf n GLN 599 Cb 0.37 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.22 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 -1.63 -2.45 -2.94 1.08 8.25 -0.72 -4.61 115.22 112.19 2kuf n HIS 600 Ca 0.02 1.27 -0.44 0.00 -0.26 0.00 0.00 57.72 58.31 2kuf n HIS 600 Cb 0.36 -2.23 -0.01 0.00 1.12 0.00 0.00 29.99 29.23 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 -6.19 6.86 0.15 0.41 -0.87 -1.26 -4.71 114.94 109.34 2kuf s ASN 601 Ca 0.00 -2.54 -0.13 0.00 -1.57 0.00 0.00 52.86 48.62 2kuf s ASN 601 Cb 0.00 -2.40 -0.07 0.00 -0.02 0.00 0.00 41.25 38.76 2kuf s ASN 601 CO 0.00 -0.90 0.52 -0.13 -2.57 0.00 0.00 177.10 174.02 2kuf s ARG 602 N 2.12 3.91 0.07 -0.60 0.52 -1.26 -2.78 118.95 120.92 2kuf s ARG 602 Ca 0.38 0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 55.68 2kuf s ARG 602 Cb -0.04 -2.89 -0.06 0.00 0.52 0.00 0.00 34.95 32.49 2kuf s ARG 602 CO -0.04 0.46 1.18 0.08 0.02 0.00 0.00 175.30 177.00 2kuf s VAL 603 N -1.52 4.04 -0.14 3.52 1.01 0.90 -0.77 120.40 127.43 2kuf s VAL 603 Ca 0.39 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 2kuf s VAL 603 Cb -0.14 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2kuf s VAL 603 CO 0.19 0.13 -0.30 0.52 0.00 0.00 0.00 175.10 175.64 2kuf n VAL 604 N 3.79 1.46 -3.82 2.92 0.31 -0.72 -2.67 118.33 119.60 2kuf n VAL 604 Ca 0.08 0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 2kuf n VAL 604 Cb 0.46 -2.23 -0.12 0.00 -0.91 0.00 0.00 33.84 31.04 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 -2.77 -0.16 0.29 3.52 5.04 -0.80 -4.74 117.35 117.72 2kuf s TYR 605 Ca -0.25 0.38 0.11 0.00 -2.44 0.00 0.00 57.07 54.88 2kuf s TYR 605 Cb 0.03 0.05 -0.05 0.00 0.35 0.00 0.00 41.96 42.34 2kuf s TYR 605 CO 0.37 -0.11 -0.18 -0.65 -1.34 0.00 0.00 175.55 173.64 2kuf s GLN 606 N -0.07 1.68 0.01 4.97 1.11 -1.26 -0.26 119.66 125.83 2kuf s GLN 606 Ca -0.02 -1.79 -0.25 0.00 0.01 0.00 0.00 55.36 53.32 2kuf s GLN 606 Cb -0.02 -1.70 -0.17 0.00 -1.01 0.00 0.00 33.01 30.10 2kuf s GLN 606 CO 0.00 0.28 1.30 -0.97 0.01 0.00 0.00 175.29 175.92 2kuf h ASN 607 N 2.25 -0.20 -3.38 5.90 -0.00 -1.01 -3.41 115.58 115.73 2kuf h ASN 607 Ca -0.40 -0.25 -0.59 0.00 -0.00 0.00 0.00 56.30 55.05 2kuf h ASN 607 Cb 1.26 0.05 -0.09 0.00 -0.00 0.00 0.00 38.32 39.54 2kuf h ASN 607 CO 0.62 0.16 0.23 -2.84 -0.00 0.00 0.00 177.43 175.61 2kuf s PRO 608 N -4.70 4.22 0.77 6.67 0.02 -1.26 -5.06 135.00 135.66 2kuf s PRO 608 Ca -0.15 0.75 -0.12 0.00 0.02 0.00 0.00 61.00 61.51 2kuf s PRO 608 Cb 0.02 -3.59 0.06 0.00 0.02 0.00 0.00 34.50 31.01 2kuf s PRO 608 CO 0.60 -0.31 1.12 -2.14 -0.33 0.00 0.00 177.00 175.93 2kuf s PRO 609 N 2.13 2.12 0.09 5.54 0.02 -1.26 -4.95 135.00 138.68 2kuf s PRO 609 Ca 0.32 1.35 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 2kuf s PRO 609 Cb -0.16 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 2kuf s PRO 609 CO 0.10 -1.77 1.49 0.00 -0.33 0.00 0.00 177.00 176.49 2kuf s ALA 610 N -2.65 3.65 0.00 -1.55 0.00 -1.26 -2.11 121.76 117.83 2kuf s ALA 610 Ca 0.65 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2kuf s ALA 610 Cb -0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2kuf s ALA 610 CO 0.52 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2kuf n GLY 611 N 3.70 0.63 3.95 0.00 0.00 0.25 -4.95 105.19 108.78 2kuf n GLY 611 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 3.51 -0.10 2.61 2.01 -0.90 -4.70 115.64 116.07 2kuf s THR 612 Ca 0.00 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 2kuf s THR 612 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2kuf s THR 612 CO 0.00 -0.24 0.52 -0.83 -0.69 0.00 0.00 174.62 173.39 2kuf s GLY 613 N -4.30 2.45 0.01 4.40 0.00 -1.26 -0.40 107.32 108.22 2kuf s GLY 613 Ca 0.52 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 45.19 2kuf s GLY 613 CO 0.39 0.82 -0.20 -1.34 0.00 0.00 0.00 173.10 172.78 2kuf s VAL 614 N 0.54 1.57 1.42 1.40 -7.23 0.00 -4.90 120.40 113.20 2kuf s VAL 614 Ca 0.28 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 2kuf s VAL 614 Cb -0.16 -1.33 0.36 0.00 0.56 0.00 0.00 36.38 35.82 2kuf s VAL 614 CO 0.12 0.34 0.94 0.54 -0.31 0.00 0.00 175.10 176.74 2kuf s ASN 615 N -0.74 -1.02 0.57 4.85 4.22 -1.26 -0.28 114.94 121.28 2kuf s ASN 615 Ca 0.07 0.78 0.28 0.00 -2.14 0.00 0.00 52.86 51.85 2kuf s ASN 615 Cb -0.08 -1.08 1.68 0.00 1.28 0.00 0.00 41.25 43.05 2kuf s ASN 615 CO 0.00 -5.33 2.20 0.08 -2.04 0.00 0.00 177.10 172.02 2kuf h ARG 616 N -3.40 0.00 -0.00 3.55 0.11 -1.23 0.29 114.38 113.71 2kuf h ARG 616 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 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 0.27 0.03 -0.15 -3.47 0.10 0.00 0.00 179.97 176.75 2kuf n ASP 617 N -3.89 0.18 -0.72 0.08 2.03 -1.26 -4.64 116.55 108.33 2kuf n ASP 617 Ca -0.03 0.18 -0.09 0.00 0.52 0.00 0.00 54.79 55.37 2kuf n ASP 617 Cb 0.12 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 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 1.48 1.00 3.65 0.27 0.00 0.10 -2.96 105.19 108.73 2kuf n GLY 618 Ca 0.07 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.04 3.87 -0.06 -0.61 -1.16 -1.26 -4.90 121.20 115.04 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 -3.71 -0.00 0.00 0.61 0.00 0.00 42.46 39.36 2kuf s ILE 619 CO 0.00 -0.13 -0.20 0.27 -2.81 0.00 0.00 174.94 172.07 2kuf s ILE 620 N 4.02 1.69 -0.19 2.00 -4.36 -1.26 -4.89 121.20 118.21 2kuf s ILE 620 Ca 0.66 -0.84 -0.04 0.00 -0.26 0.00 0.00 60.65 60.17 2kuf s ILE 620 Cb -0.27 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 2kuf s ILE 620 CO 0.24 0.48 -0.03 0.28 0.24 0.00 0.00 174.94 176.15 2kuf s THR 621 N 0.17 3.73 0.21 8.37 -1.32 -1.26 -2.91 115.64 122.64 2kuf s THR 621 Ca -0.09 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 2kuf s THR 621 Cb -0.14 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.13 2kuf s THR 621 CO 0.05 0.45 0.05 -1.48 -2.21 0.00 0.00 174.62 171.47 2kuf s LEU 622 N 0.95 1.82 -0.03 9.08 -0.00 -0.48 -0.25 118.68 129.78 2kuf s LEU 622 Ca 0.00 -1.28 0.04 0.00 -0.00 0.00 0.00 54.13 52.90 2kuf s LEU 622 Cb -0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 46.19 46.07 2kuf s LEU 622 CO 0.01 -0.67 -0.16 0.00 -0.00 0.00 0.00 176.35 175.54 2kuf s ARG 623 N -3.99 1.49 0.16 1.48 1.70 0.64 -1.43 118.95 119.01 2kuf s ARG 623 Ca 0.31 -0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2kuf s ARG 623 Cb 0.07 -1.37 -0.04 0.00 -0.57 0.00 0.00 34.95 33.04 2kuf s ARG 623 CO 0.08 0.28 0.07 -0.59 -1.08 0.00 0.00 175.30 174.07 2kuf s PHE 624 N -0.14 1.00 0.51 5.89 -0.71 -1.22 -1.76 117.98 121.55 2kuf s PHE 624 Ca 0.01 -1.25 -0.22 0.00 -1.04 0.00 0.00 56.93 54.42 2kuf s PHE 624 Cb -0.09 -0.54 -0.06 0.00 -1.21 0.00 0.00 43.02 41.12 2kuf s PHE 624 CO 0.01 -0.52 1.26 0.41 -1.34 0.00 0.00 175.22 175.04 2kuf n GLY 625 N -0.17 0.51 0.10 1.99 0.00 0.05 -0.59 105.19 107.08 2kuf n GLY 625 Ca -0.03 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2kuf n GLY 625 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93