#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3t n GLY 462 N 0.00 -0.14 1.11 3.14 0.00 -1.26 -5.11 105.19 102.93 1b3t n GLY 462 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1b3t n GLY 462 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 463 N -0.11 -1.80 3.85 -0.02 0.00 -1.26 -4.97 105.19 100.88 1b3t n GLY 463 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1b3t n GLY 463 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b3t s TRP 464 N 0.00 3.67 0.00 1.61 -0.11 -1.26 -4.98 118.94 117.87 1b3t s TRP 464 Ca 0.00 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.12 1b3t s TRP 464 Cb 0.00 -2.15 0.00 0.00 -1.50 0.00 0.00 33.47 29.82 1b3t s TRP 464 CO 0.00 0.67 0.44 1.19 -4.62 0.00 0.00 176.95 174.64 1b3t n PHE 465 N 1.92 0.00 -0.38 5.86 3.72 -1.26 -5.01 117.46 122.31 1b3t n PHE 465 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1b3t n PHE 465 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1b3t n PHE 465 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b3t n GLY 466 N 0.01 0.73 3.47 1.37 0.00 -1.26 -5.05 105.19 104.45 1b3t n GLY 466 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1b3t n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3t s LYS 467 N -0.62 3.40 0.89 1.61 -0.14 -1.26 -5.09 119.74 118.53 1b3t s LYS 467 Ca 0.00 -0.68 -0.13 0.00 -1.36 0.00 0.00 55.97 53.80 1b3t s LYS 467 Cb 0.00 -3.62 0.16 0.00 -1.68 0.00 0.00 37.83 32.69 1b3t s LYS 467 CO 0.00 -0.41 1.24 -1.01 -0.76 0.00 0.00 175.35 174.41 1b3t s HIS 468 N 1.64 1.88 0.17 3.18 3.76 -1.26 -4.95 115.29 119.71 1b3t s HIS 468 Ca 0.05 0.32 -0.33 0.00 -0.15 0.00 0.00 55.06 54.95 1b3t s HIS 468 Cb -0.17 -3.84 -0.13 0.00 1.11 0.00 0.00 32.58 29.55 1b3t s HIS 468 CO 0.07 -2.33 1.64 0.54 -0.85 0.00 0.00 174.74 173.81 1b3t n ARG 469 N -3.54 2.37 -0.52 1.40 1.74 -1.26 -1.44 116.66 115.42 1b3t n ARG 469 Ca 0.14 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 1b3t n ARG 469 Cb 0.60 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1b3t n ARG 469 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b3t n GLY 470 N 3.65 1.86 0.85 -0.13 0.00 -1.26 -4.89 105.19 105.27 1b3t n GLY 470 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1b3t n GLY 470 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b3t n GLN 471 N -2.00 2.11 -1.65 1.61 6.02 -0.52 -5.00 117.38 117.95 1b3t n GLN 471 Ca 0.00 -1.67 -0.46 0.00 -0.01 0.00 0.00 57.00 54.86 1b3t n GLN 471 Cb 0.00 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 1b3t n GLN 471 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b3t n GLY 472 N 1.31 0.61 0.00 1.08 0.00 -1.26 -4.88 105.19 102.04 1b3t n GLY 472 Ca 0.17 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1b3t n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 473 N 2.17 3.19 3.83 -0.02 0.00 -1.26 -5.13 105.19 107.97 1b3t n GLY 473 Ca 0.13 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 1b3t n GLY 473 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3t s SER 474 N -0.54 5.68 0.15 1.61 1.04 -1.26 -5.05 113.70 115.33 1b3t s SER 474 Ca 0.00 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 1b3t s SER 474 Cb 0.00 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1b3t s SER 474 CO 0.00 0.04 0.31 0.54 0.98 0.00 0.00 173.24 175.11 1b3t s ASN 475 N -3.29 -0.01 0.37 7.02 2.20 -1.26 -5.03 114.94 114.94 1b3t s ASN 475 Ca 0.32 -0.74 0.11 0.00 -0.94 0.00 0.00 52.86 51.61 1b3t s ASN 475 Cb -0.10 0.44 0.88 0.00 -2.00 0.00 0.00 41.25 40.48 1b3t s ASN 475 CO 0.25 -0.88 1.88 1.55 -2.94 0.00 0.00 177.10 176.95 1b3t h PRO 476 N 2.52 0.60 -0.06 3.55 0.13 -1.99 -0.03 132.00 136.71 1b3t h PRO 476 Ca -0.32 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1b3t h PRO 476 Cb 1.23 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1b3t h PRO 476 CO 0.48 0.40 0.04 -0.22 -0.23 0.00 0.00 178.00 178.46 1b3t h LYS 477 N 0.62 0.09 -0.17 0.86 3.64 -2.00 -0.67 116.57 118.93 1b3t h LYS 477 Ca 0.43 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1b3t h LYS 477 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1b3t h LYS 477 CO -0.19 0.10 -0.56 0.74 -2.27 0.00 0.00 179.45 177.27 1b3t h PHE 478 N 0.05 0.67 -0.09 1.91 0.04 -1.85 -3.05 116.94 114.62 1b3t h PHE 478 Ca 0.02 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.47 1b3t h PHE 478 Cb 0.03 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1b3t h PHE 478 CO -0.06 0.96 -0.32 1.49 -0.60 0.00 0.00 178.31 179.78 1b3t h GLU 479 N 0.40 0.17 -0.64 1.51 4.57 -0.89 -0.39 114.58 119.31 1b3t h GLU 479 Ca 0.01 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1b3t h GLU 479 Cb 1.10 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1b3t h GLU 479 CO 0.10 0.48 0.07 -0.97 -1.18 0.00 0.00 179.01 177.51 1b3t h ASN 480 N 0.15 1.03 -0.49 1.04 -0.73 -1.01 0.15 115.58 115.72 1b3t h ASN 480 Ca 0.02 -0.26 -0.13 0.00 1.87 0.00 0.00 56.30 57.80 1b3t h ASN 480 Cb 0.65 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1b3t h ASN 480 CO 0.05 1.05 -0.18 0.40 -0.37 0.00 0.00 177.43 178.37 1b3t h ILE 481 N 1.00 1.27 -0.30 2.57 2.04 -1.40 -2.50 117.51 120.19 1b3t h ILE 481 Ca 0.19 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 1b3t h ILE 481 Cb 0.48 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1b3t h ILE 481 CO 0.02 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.76 1b3t h ALA 482 N 0.88 0.39 -0.17 1.87 0.00 -0.63 -0.81 119.26 120.79 1b3t h ALA 482 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1b3t h ALA 482 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1b3t h ALA 482 CO 0.06 -0.02 -0.03 0.93 0.00 0.00 0.00 179.25 180.19 1b3t h GLU 483 N 0.34 0.26 -0.41 0.00 4.39 -0.69 0.14 114.58 118.61 1b3t h GLU 483 Ca 0.10 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1b3t h GLU 483 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1b3t h GLU 483 CO -0.01 0.31 -0.34 0.78 -1.16 0.00 0.00 179.01 178.59 1b3t h GLY 484 N 0.57 1.02 0.88 -3.84 0.00 -0.96 -2.03 103.07 98.71 1b3t h GLY 484 Ca 0.06 -1.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.31 1b3t h GLY 484 CO 0.01 0.91 -0.14 1.41 0.00 0.00 0.00 176.54 178.72 1b3t h LEU 485 N 0.78 0.58 -0.97 3.11 3.38 -0.38 -3.00 115.31 118.80 1b3t h LEU 485 Ca 0.07 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1b3t h LEU 485 Cb 0.93 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1b3t h LEU 485 CO 0.09 0.87 0.63 0.03 0.09 0.00 0.00 178.44 180.15 1b3t h ARG 486 N 0.29 1.18 -0.06 1.13 3.08 -0.66 0.11 114.38 119.45 1b3t h ARG 486 Ca 0.06 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1b3t h ARG 486 Cb 0.66 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1b3t h ARG 486 CO 0.04 0.78 -0.20 0.00 -1.07 0.00 0.00 179.97 179.52 1b3t h ALA 487 N 1.40 1.56 0.21 0.04 0.00 -1.35 -1.32 119.26 119.80 1b3t h ALA 487 Ca 0.39 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1b3t h ALA 487 Cb 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1b3t h ALA 487 CO -0.13 0.33 -1.36 -0.07 0.00 0.00 0.00 179.25 178.02 1b3t h LEU 488 N 0.09 0.69 -1.09 0.00 3.38 -1.15 -3.29 115.31 113.94 1b3t h LEU 488 Ca 0.02 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 1b3t h LEU 488 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1b3t h LEU 488 CO 0.03 1.64 0.29 -0.07 0.09 0.00 0.00 178.44 180.42 1b3t h LEU 489 N -0.02 0.85 0.00 1.67 -0.00 -0.75 -2.40 115.31 114.66 1b3t h LEU 489 Ca -0.25 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1b3t h LEU 489 Cb 2.01 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.45 1b3t h LEU 489 CO 0.22 0.74 0.00 0.00 -0.00 0.00 0.00 178.44 179.39 1b3t n ALA 490 N -2.44 1.35 0.65 1.53 0.00 -0.51 -1.63 120.51 119.46 1b3t n ALA 490 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1b3t n ALA 490 Cb 0.15 -1.03 0.46 0.00 0.00 0.00 0.00 19.45 19.03 1b3t n ALA 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b3t n ARG 491 N -1.23 0.17 -3.42 0.00 1.74 -0.90 -4.55 116.66 108.46 1b3t n ARG 491 Ca 0.01 0.21 -0.21 0.00 -0.77 0.00 0.00 57.85 57.09 1b3t n ARG 491 Cb 0.01 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.62 1b3t n ARG 491 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1b3t s SER 492 N -4.00 2.08 -1.29 0.55 0.01 -0.64 -5.06 113.70 105.34 1b3t s SER 492 Ca 0.10 -1.30 -0.16 0.00 1.31 0.00 0.00 55.95 55.90 1b3t s SER 492 Cb 0.13 0.23 0.10 0.00 0.21 0.00 0.00 66.02 66.68 1b3t s SER 492 CO 0.51 -0.35 1.72 1.41 0.41 0.00 0.00 173.24 176.94 1b3t n HIS 493 N 4.82 4.57 -3.29 2.43 8.25 -1.26 -4.94 115.22 125.79 1b3t n HIS 493 Ca 0.03 -2.98 -0.20 0.00 -0.26 0.00 0.00 57.72 54.30 1b3t n HIS 493 Cb 0.44 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.06 1b3t n HIS 493 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1b3t s VAL 494 N 3.29 3.99 0.10 1.59 -7.23 -1.26 -5.06 120.40 115.83 1b3t s VAL 494 Ca 0.50 -0.83 -0.31 0.00 -1.81 0.00 0.00 61.98 59.53 1b3t s VAL 494 Cb 0.03 -3.41 -0.08 0.00 0.56 0.00 0.00 36.38 33.48 1b3t s VAL 494 CO 0.04 -0.20 1.41 -1.61 -0.31 0.00 0.00 175.10 174.43 1b3t s GLU 495 N -4.31 4.31 -0.18 4.82 2.02 -1.26 -4.93 118.70 119.16 1b3t s GLU 495 Ca 0.47 2.09 0.16 0.00 0.02 0.00 0.00 54.97 57.71 1b3t s GLU 495 Cb -0.10 -3.29 -0.23 0.00 0.10 0.00 0.00 34.13 30.62 1b3t s GLU 495 CO 0.33 -0.47 0.06 0.54 0.02 0.00 0.00 175.26 175.74 1b3t n ARG 496 N 4.15 0.95 -4.30 1.61 1.74 -1.26 -4.26 116.66 115.29 1b3t n ARG 496 Ca 0.12 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1b3t n ARG 496 Cb 0.42 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 1b3t n ARG 496 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1b3t s THR 497 N -2.45 1.75 0.48 0.55 -4.23 -1.26 -3.94 115.64 106.55 1b3t s THR 497 Ca -0.10 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1b3t s THR 497 Cb 0.06 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 1b3t s THR 497 CO 0.76 -0.16 0.22 0.42 -0.54 0.00 0.00 174.62 175.32 1b3t s THR 498 N -1.51 1.83 0.08 3.99 -4.23 -1.26 -5.01 115.64 109.52 1b3t s THR 498 Ca 0.10 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 1b3t s THR 498 Cb -0.08 -2.51 -0.19 0.00 1.34 0.00 0.00 72.50 71.05 1b3t s THR 498 CO 0.05 0.00 1.24 0.44 -0.54 0.00 0.00 174.62 175.81 1b3t h ASP 499 N 1.17 0.86 0.32 3.99 3.32 -2.00 -3.16 116.42 120.92 1b3t h ASP 499 Ca -0.41 -0.68 -0.06 0.00 0.02 0.00 0.00 57.03 55.90 1b3t h ASP 499 Cb 1.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1b3t h ASP 499 CO 0.66 1.41 -0.29 1.05 -1.72 0.00 0.00 179.24 180.36 1b3t h GLU 500 N 0.38 0.00 -1.69 3.56 9.09 -2.00 -3.46 114.58 120.45 1b3t h GLU 500 Ca -0.08 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.04 1b3t h GLU 500 Cb 1.47 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.53 1b3t h GLU 500 CO 0.17 0.29 -0.34 0.41 0.05 0.00 0.00 179.01 179.58 1b3t n GLY 501 N -0.65 0.22 3.85 1.06 0.00 -1.20 -5.01 105.19 103.46 1b3t n GLY 501 Ca -0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1b3t n GLY 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3t s THR 502 N -2.67 4.82 -0.95 2.61 -4.23 -1.26 -5.02 115.64 108.94 1b3t s THR 502 Ca 0.00 0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 1b3t s THR 502 Cb 0.00 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.34 1b3t s THR 502 CO 0.00 0.16 0.96 0.26 -0.54 0.00 0.00 174.62 175.46 1b3t s TRP 503 N -1.56 3.85 -1.43 3.99 0.52 -1.26 -4.23 118.94 118.83 1b3t s TRP 503 Ca 0.41 -2.17 0.16 0.00 0.02 0.00 0.00 56.10 54.52 1b3t s TRP 503 Cb -0.14 -3.90 -0.02 0.00 -1.15 0.00 0.00 33.47 28.25 1b3t s TRP 503 CO 0.20 -1.05 0.85 1.33 0.02 0.00 0.00 176.95 178.29 1b3t n VAL 504 N 3.74 0.00 -4.25 4.03 0.24 -1.13 -0.99 118.33 119.97 1b3t n VAL 504 Ca 0.20 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1b3t n VAL 504 Cb 0.44 1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 33.89 1b3t n VAL 504 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3t s ALA 505 N -1.99 1.41 0.15 2.33 0.00 -0.98 -2.17 121.76 120.52 1b3t s ALA 505 Ca 0.13 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1b3t s ALA 505 Cb 0.13 1.06 0.04 0.00 0.00 0.00 0.00 23.12 24.36 1b3t s ALA 505 CO 0.44 -0.48 0.55 0.41 0.00 0.00 0.00 175.76 176.68 1b3t n GLY 506 N -0.33 1.07 2.81 0.00 0.00 -0.30 -1.06 105.19 107.38 1b3t n GLY 506 Ca -0.01 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 1b3t n GLY 506 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3t s VAL 507 N -2.34 -0.11 -0.30 1.61 1.01 -0.44 -1.82 120.40 118.01 1b3t s VAL 507 Ca 0.12 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1b3t s VAL 507 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1b3t s VAL 507 CO 0.04 0.11 0.18 0.12 0.00 0.00 0.00 175.10 175.56 1b3t s PHE 508 N 1.55 3.19 -0.13 5.22 5.36 0.14 -1.10 117.98 132.21 1b3t s PHE 508 Ca -0.04 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1b3t s PHE 508 Cb -0.12 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 40.17 1b3t s PHE 508 CO -0.04 -0.30 -0.15 0.08 -1.46 0.00 0.00 175.22 173.35 1b3t s VAL 509 N 1.70 2.86 0.20 3.12 1.01 -0.59 -1.30 120.40 127.40 1b3t s VAL 509 Ca 0.06 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1b3t s VAL 509 Cb -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1b3t s VAL 509 CO 0.09 0.52 0.43 -0.72 0.00 0.00 0.00 175.10 175.42 1b3t s TYR 510 N 0.49 0.22 0.00 5.22 1.13 -0.11 -0.84 117.35 123.46 1b3t s TYR 510 Ca -0.10 -0.58 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1b3t s TYR 510 Cb -0.16 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1b3t s TYR 510 CO 0.05 -0.88 0.00 0.41 -2.51 0.00 0.00 175.55 172.62 1b3t n GLY 511 N -0.31 -0.90 7.00 5.49 0.00 -0.92 0.34 105.19 115.89 1b3t n GLY 511 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1b3t n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 512 N 0.00 3.43 3.26 -0.02 0.00 -1.14 -4.65 105.19 106.07 1b3t n GLY 512 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1b3t n GLY 512 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3t s SER 513 N -4.00 0.66 0.10 1.61 1.04 -1.26 -4.94 113.70 106.91 1b3t s SER 513 Ca 0.00 -1.49 -0.22 0.00 0.48 0.00 0.00 55.95 54.72 1b3t s SER 513 Cb 0.00 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 1b3t s SER 513 CO 0.00 -0.95 1.75 0.50 0.98 0.00 0.00 173.24 175.52 1b3t h LYS 514 N 2.43 0.10 -0.44 4.02 3.64 -1.92 -2.15 116.57 122.25 1b3t h LYS 514 Ca -0.32 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.93 1b3t h LYS 514 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1b3t h LYS 514 CO 0.46 0.07 -0.24 1.15 -2.27 0.00 0.00 179.45 178.63 1b3t h THR 515 N 0.09 1.27 -0.41 1.00 2.02 -1.97 -1.42 112.91 113.49 1b3t h THR 515 Ca 0.03 -1.39 -0.11 0.00 0.77 0.00 0.00 66.41 65.71 1b3t h THR 515 Cb -0.00 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1b3t h THR 515 CO -0.01 0.47 -0.18 0.77 0.37 0.00 0.00 175.52 176.95 1b3t h SER 516 N 0.78 0.79 -0.13 4.18 4.64 -1.93 -0.12 113.55 121.77 1b3t h SER 516 Ca 0.10 -0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 60.95 1b3t h SER 516 Cb 0.79 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1b3t h SER 516 CO 0.07 0.96 -0.71 -0.07 -0.87 0.00 0.00 176.83 176.21 1b3t h LEU 517 N 0.70 0.85 -0.24 5.97 3.38 -1.40 -1.95 115.31 122.62 1b3t h LEU 517 Ca 0.11 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1b3t h LEU 517 Cb 0.68 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1b3t h LEU 517 CO 0.05 1.36 0.07 0.22 0.09 0.00 0.00 178.44 180.22 1b3t h TYR 518 N 0.40 0.12 -0.60 1.13 3.20 -1.11 0.10 116.97 120.21 1b3t h TYR 518 Ca -0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1b3t h TYR 518 Cb 1.35 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 1b3t h TYR 518 CO 0.10 0.05 0.32 -0.91 -1.64 0.00 0.00 178.16 176.08 1b3t h ASN 519 N 0.17 0.74 -0.49 -2.11 2.35 -1.03 -1.47 115.58 113.75 1b3t h ASN 519 Ca 0.10 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1b3t h ASN 519 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1b3t h ASN 519 CO -0.12 0.61 -0.17 0.25 -1.65 0.00 0.00 177.43 176.35 1b3t h LEU 520 N 0.84 1.00 -0.34 1.61 5.85 -0.58 -2.05 115.31 121.64 1b3t h LEU 520 Ca 0.21 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1b3t h LEU 520 Cb 0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1b3t h LEU 520 CO -0.03 1.14 0.19 -0.09 -0.34 0.00 0.00 178.44 179.31 1b3t h ARG 521 N 0.87 0.47 -0.62 1.25 2.43 -0.51 -0.80 114.38 117.46 1b3t h ARG 521 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1b3t h ARG 521 Cb 0.73 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1b3t h ARG 521 CO 0.06 0.38 0.19 0.00 -1.51 0.00 0.00 179.97 179.10 1b3t h ARG 522 N 0.43 0.97 -0.51 0.20 2.47 -1.21 -2.52 114.38 114.20 1b3t h ARG 522 Ca 0.12 -0.21 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 1b3t h ARG 522 Cb 0.05 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1b3t h ARG 522 CO -0.02 0.86 -0.04 0.78 0.56 0.00 0.00 179.97 182.11 1b3t h GLY 523 N 0.89 1.01 1.25 0.04 0.00 -1.19 -3.01 103.07 102.06 1b3t h GLY 523 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1b3t h GLY 523 CO -0.01 0.71 0.41 -0.84 0.00 0.00 0.00 176.54 176.81 1b3t h THR 524 N 0.80 1.21 -0.76 4.70 2.02 -1.02 -0.69 112.91 119.16 1b3t h THR 524 Ca 0.14 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1b3t h THR 524 Cb 0.57 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1b3t h THR 524 CO 0.03 0.23 0.44 0.00 0.37 0.00 0.00 175.52 176.60 1b3t h ALA 525 N 1.45 1.35 0.05 6.16 0.00 -1.34 -1.17 119.26 125.76 1b3t h ALA 525 Ca 0.26 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1b3t h ALA 525 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1b3t h ALA 525 CO -0.04 0.55 -1.06 -0.07 0.00 0.00 0.00 179.25 178.62 1b3t h LEU 526 N 1.05 0.56 -0.65 0.00 3.38 -1.32 -3.34 115.31 114.99 1b3t h LEU 526 Ca 0.27 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1b3t h LEU 526 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1b3t h LEU 526 CO -0.05 1.32 -0.51 0.00 0.09 0.00 0.00 178.44 179.29 1b3t h ALA 527 N 0.63 0.87 -2.93 1.53 0.00 -0.87 -3.42 119.26 115.07 1b3t h ALA 527 Ca -0.11 -0.46 -0.58 0.00 0.00 0.00 0.00 54.91 53.75 1b3t h ALA 527 Cb 1.73 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 19.04 1b3t h ALA 527 CO 0.19 0.64 -0.77 0.42 0.00 0.00 0.00 179.25 179.72 1b3t s ILE 528 N -3.40 0.72 0.40 0.00 1.01 -0.46 -4.88 121.20 114.58 1b3t s ILE 528 Ca 0.01 -1.69 0.29 0.00 0.00 0.00 0.00 60.65 59.26 1b3t s ILE 528 Cb 0.11 -1.53 0.31 0.00 0.01 0.00 0.00 42.46 41.36 1b3t s ILE 528 CO 0.72 -0.81 2.08 -0.65 0.00 0.00 0.00 174.94 176.28 1b3t h PRO 529 N 7.53 0.00 -0.00 2.79 0.11 -1.82 -2.91 132.00 137.70 1b3t h PRO 529 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1b3t h PRO 529 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1b3t h PRO 529 CO 0.42 0.10 -0.02 1.04 -0.21 0.00 0.00 178.00 179.33 1b3t n GLN 530 N -3.53 0.83 -3.72 1.05 3.00 -1.26 -4.91 117.38 108.84 1b3t n GLN 530 Ca -0.02 -0.12 -0.21 0.00 -0.01 0.00 0.00 57.00 56.65 1b3t n GLN 530 Cb 0.23 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 1b3t n GLN 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1b3t s ARG 532 N -4.04 1.55 0.10 0.00 1.81 -0.87 -4.97 118.95 112.52 1b3t s ARG 532 Ca 0.43 -0.47 0.09 0.00 -1.72 0.00 0.00 55.73 54.06 1b3t s ARG 532 Cb -0.05 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.07 1b3t s ARG 532 CO 0.27 0.14 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.33 1b3t s LEU 533 N 0.27 2.59 0.46 2.53 1.43 -1.26 -0.38 118.68 124.33 1b3t s LEU 533 Ca -0.07 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1b3t s LEU 533 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1b3t s LEU 533 CO 0.02 0.20 0.67 0.42 0.23 0.00 0.00 176.35 177.90 1b3t s THR 534 N -1.06 3.54 0.99 5.49 -4.23 -0.92 -5.02 115.64 114.44 1b3t s THR 534 Ca 0.16 -0.64 -0.14 0.00 -1.18 0.00 0.00 61.69 59.89 1b3t s THR 534 Cb -0.10 -3.29 0.19 0.00 1.34 0.00 0.00 72.50 70.63 1b3t s THR 534 CO 0.08 -0.19 1.14 -2.84 -0.54 0.00 0.00 174.62 172.27 1b3t s PRO 535 N -4.56 0.46 0.50 3.99 0.02 -1.26 -4.67 135.00 129.47 1b3t s PRO 535 Ca 0.51 0.19 -0.20 0.00 0.02 0.00 0.00 61.00 61.53 1b3t s PRO 535 Cb -0.10 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 1b3t s PRO 535 CO 0.37 -2.64 1.03 -0.51 -0.33 0.00 0.00 177.00 174.92 1b3t s LEU 536 N -6.29 3.80 0.00 -5.54 1.02 -1.26 -4.66 118.68 105.74 1b3t s LEU 536 Ca 0.67 1.89 -0.01 0.00 0.02 0.00 0.00 54.13 56.70 1b3t s LEU 536 Cb -0.14 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.53 1b3t s LEU 536 CO 0.55 -0.81 0.29 -0.24 0.02 0.00 0.00 176.35 176.16 1b3t n SER 537 N -1.11 -0.81 -4.63 2.29 2.88 -0.59 -4.97 113.62 106.68 1b3t n SER 537 Ca 0.09 -2.14 -0.29 0.00 -1.33 0.00 0.00 58.87 55.20 1b3t n SER 537 Cb 0.53 1.51 -0.09 0.00 -0.75 0.00 0.00 64.21 65.41 1b3t n SER 537 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1b3t s ARG 538 N -2.49 2.31 0.06 -1.46 0.52 -1.26 -1.51 118.95 115.12 1b3t s ARG 538 Ca 0.18 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.34 1b3t s ARG 538 Cb -0.01 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 1b3t s ARG 538 CO 0.13 0.51 0.32 -0.51 0.02 0.00 0.00 175.30 175.76 1b3t s LEU 539 N -2.38 4.34 0.87 2.53 1.02 -0.20 -4.91 118.68 119.96 1b3t s LEU 539 Ca 0.24 0.60 -0.10 0.00 0.02 0.00 0.00 54.13 54.88 1b3t s LEU 539 Cb -0.11 -2.91 0.17 0.00 0.02 0.00 0.00 46.19 43.36 1b3t s LEU 539 CO 0.16 0.18 1.20 -2.16 0.02 0.00 0.00 176.35 175.76 1b3t s PRO 540 N -2.05 1.05 0.57 1.29 0.04 -1.26 -1.04 135.00 133.61 1b3t s PRO 540 Ca 0.32 -0.64 -0.07 0.00 0.04 0.00 0.00 61.00 60.66 1b3t s PRO 540 Cb -0.13 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1b3t s PRO 540 CO 0.19 -2.04 0.90 -0.06 0.04 0.00 0.00 177.00 176.03 1b3t s PHE 541 N -3.62 3.41 0.00 0.56 0.08 -1.20 -4.66 117.98 112.54 1b3t s PHE 541 Ca 0.71 0.82 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1b3t s PHE 541 Cb -0.05 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 1b3t s PHE 541 CO 0.50 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 1b3t n GLY 542 N -2.54 1.18 3.75 4.36 0.00 -1.26 -5.04 105.19 105.64 1b3t n GLY 542 Ca 0.04 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1b3t n GLY 542 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b3t s MET 543 N 2.15 4.33 0.44 1.61 -1.94 -1.26 -4.76 119.30 119.87 1b3t s MET 543 Ca 0.00 0.67 -0.19 0.00 -1.71 0.00 0.00 55.69 54.46 1b3t s MET 543 Cb 0.00 -3.38 -0.10 0.00 2.01 0.00 0.00 34.83 33.36 1b3t s MET 543 CO 0.00 0.28 0.93 0.00 -0.01 0.00 0.00 175.02 176.22 1b3t s ALA 544 N 0.14 3.08 0.06 3.03 0.00 -1.26 -5.01 121.76 121.81 1b3t s ALA 544 Ca 0.30 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1b3t s ALA 544 Cb -0.17 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1b3t s ALA 544 CO 0.15 0.07 1.11 -1.25 0.00 0.00 0.00 175.76 175.84 1b3t s PRO 545 N -3.36 4.51 0.00 0.00 0.04 -1.26 -4.93 135.00 130.00 1b3t s PRO 545 Ca 0.60 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1b3t s PRO 545 Cb -0.09 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1b3t s PRO 545 CO 0.18 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1b3t n GLY 546 N 2.90 0.23 0.04 0.56 0.00 -1.26 -4.50 105.19 103.15 1b3t n GLY 546 Ca 0.07 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1b3t n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b3t n PRO 547 N -0.08 0.97 0.00 1.61 -0.04 -1.26 -4.82 135.00 131.38 1b3t n PRO 547 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1b3t n PRO 547 Cb 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1b3t n PRO 547 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b3t n GLY 548 N 0.44 -1.94 3.73 0.55 0.00 -1.26 -5.02 105.19 101.68 1b3t n GLY 548 Ca 0.00 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1b3t n GLY 548 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b3t s PRO 549 N -1.75 4.56 0.38 1.61 0.04 -1.26 -5.07 135.00 133.50 1b3t s PRO 549 Ca 0.00 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 1b3t s PRO 549 Cb 0.00 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 1b3t s PRO 549 CO 0.00 0.16 0.73 -0.65 0.04 0.00 0.00 177.00 177.28 1b3t s GLN 550 N 0.29 3.77 0.57 4.56 -1.52 -1.26 -4.83 119.66 121.24 1b3t s GLN 550 Ca 0.44 0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 54.08 1b3t s GLN 550 Cb -0.21 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 30.09 1b3t s GLN 550 CO 0.25 0.03 1.06 -1.25 -0.25 0.00 0.00 175.29 175.13 1b3t s PRO 551 N -3.71 3.42 0.57 2.91 0.04 -1.26 -5.01 135.00 131.96 1b3t s PRO 551 Ca 0.50 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 1b3t s PRO 551 Cb -0.10 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1b3t s PRO 551 CO 0.30 -0.74 1.19 0.20 0.04 0.00 0.00 177.00 177.99 1b3t s GLY 552 N -2.53 2.72 0.40 0.56 0.00 -1.26 -4.90 107.32 102.31 1b3t s GLY 552 Ca 0.65 0.97 0.19 0.00 0.00 0.00 0.00 44.72 46.53 1b3t s GLY 552 CO 0.32 1.36 1.76 -2.55 0.00 0.00 0.00 173.10 173.99 1b3t h PRO 553 N 1.02 0.36 0.00 2.90 0.11 -1.97 -2.18 132.00 132.23 1b3t h PRO 553 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1b3t h PRO 553 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b3t h PRO 553 CO 0.56 0.24 0.00 -0.07 -0.21 0.00 0.00 178.00 178.52 1b3t h LEU 554 N 0.37 0.00 -9.49 2.35 3.38 -2.00 -3.47 115.31 106.45 1b3t h LEU 554 Ca 0.61 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 58.02 1b3t h LEU 554 Cb 1.58 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.37 1b3t h LEU 554 CO -0.31 0.00 0.99 0.54 0.09 0.00 0.00 178.44 179.76 1b3t n ARG 555 N -2.59 2.49 -4.31 1.13 5.12 -0.82 -5.00 116.66 112.67 1b3t n ARG 555 Ca 0.04 0.90 -0.35 0.00 -1.93 0.00 0.00 57.85 56.52 1b3t n ARG 555 Cb 0.44 -2.74 -0.09 0.00 -1.16 0.00 0.00 32.46 28.91 1b3t n ARG 555 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1b3t s GLU 556 N 2.10 3.00 0.45 5.56 -1.05 -1.26 -3.27 118.70 124.23 1b3t s GLU 556 Ca 0.82 -0.41 -0.02 0.00 -0.15 0.00 0.00 54.97 55.21 1b3t s GLU 556 Cb -0.58 -2.81 0.09 0.00 -0.44 0.00 0.00 34.13 30.39 1b3t s GLU 556 CO 0.39 0.70 0.62 -1.13 0.95 0.00 0.00 175.26 176.79 1b3t n SER 557 N 2.00 0.66 0.01 0.83 3.41 -0.20 -4.93 113.62 115.39 1b3t n SER 557 Ca -0.18 -1.60 0.12 0.00 -0.26 0.00 0.00 58.87 56.95 1b3t n SER 557 Cb 0.54 -0.42 0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1b3t n SER 557 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1b3t n ILE 558 N -2.39 0.03 -2.27 -1.33 2.08 -1.26 -4.60 119.36 109.63 1b3t n ILE 558 Ca 0.10 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 62.95 1b3t n ILE 558 Cb 0.34 0.36 -0.03 0.00 -0.75 0.00 0.00 39.64 39.56 1b3t n ILE 558 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1b3t s VAL 559 N -3.03 3.62 0.42 1.39 1.01 -1.26 -4.93 120.40 117.62 1b3t s VAL 559 Ca 0.10 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1b3t s VAL 559 Cb 0.17 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1b3t s VAL 559 CO 0.74 0.08 0.57 0.00 0.00 0.00 0.00 175.10 176.49 1b3t s TYR 561 N -2.36 -0.10 0.06 0.00 1.13 -0.57 -2.17 117.35 113.35 1b3t s TYR 561 Ca 0.53 -0.37 -0.24 0.00 -1.41 0.00 0.00 57.07 55.59 1b3t s TYR 561 Cb -0.10 0.66 0.06 0.00 -1.10 0.00 0.00 41.96 41.48 1b3t s TYR 561 CO 0.33 -1.24 0.56 -0.59 -2.51 0.00 0.00 175.55 172.11 1b3t s PHE 562 N -3.79 -0.49 -0.02 -3.49 -0.12 -0.02 -1.55 117.98 108.50 1b3t s PHE 562 Ca 0.13 0.52 0.04 0.00 -0.05 0.00 0.00 56.93 57.57 1b3t s PHE 562 Cb -0.05 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1b3t s PHE 562 CO 0.08 -0.69 -0.13 -1.64 -0.05 0.00 0.00 175.22 172.78 1b3t s MET 563 N -2.63 2.44 -0.19 1.99 -1.94 -1.26 -1.55 119.30 116.16 1b3t s MET 563 Ca -0.04 -0.75 -0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1b3t s MET 563 Cb -0.00 -2.37 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 1b3t s MET 563 CO -0.03 0.61 -0.08 0.08 -0.01 0.00 0.00 175.02 175.58 1b3t s VAL 564 N -0.81 3.19 -0.14 -6.03 1.01 -0.26 -2.17 120.40 115.19 1b3t s VAL 564 Ca 0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1b3t s VAL 564 Cb -0.11 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1b3t s VAL 564 CO 0.03 0.47 0.22 -0.36 0.00 0.00 0.00 175.10 175.46 1b3t s PHE 565 N 1.05 3.52 0.13 5.22 0.40 0.49 -1.33 117.98 127.46 1b3t s PHE 565 Ca 0.00 0.56 0.03 0.00 -0.60 0.00 0.00 56.93 56.93 1b3t s PHE 565 Cb -0.15 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1b3t s PHE 565 CO -0.01 0.45 -0.09 -0.51 0.70 0.00 0.00 175.22 175.76 1b3t s LEU 566 N -0.19 2.52 0.08 -0.37 1.43 -0.22 -2.06 118.68 119.87 1b3t s LEU 566 Ca 0.15 -1.01 0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1b3t s LEU 566 Cb -0.13 -0.23 0.26 0.00 0.03 0.00 0.00 46.19 46.13 1b3t s LEU 566 CO 0.04 -0.39 1.23 0.00 0.23 0.00 0.00 176.35 177.45 1b3t n GLN 567 N -0.13 0.26 -4.13 1.70 6.02 -1.25 -2.31 117.38 117.55 1b3t n GLN 567 Ca -0.11 0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 56.78 1b3t n GLN 567 Cb 0.61 -1.63 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 1b3t n GLN 567 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1b3t s THR 568 N -3.16 0.67 0.16 5.09 -4.23 -1.26 -4.54 115.64 108.38 1b3t s THR 568 Ca 0.06 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1b3t s THR 568 Cb 0.14 -0.69 -0.12 0.00 1.34 0.00 0.00 72.50 73.17 1b3t s THR 568 CO 0.75 -0.24 1.40 -0.74 -0.54 0.00 0.00 174.62 175.25 1b3t h HIS 569 N 4.73 0.62 -0.84 3.99 2.76 -1.92 -2.90 115.15 121.60 1b3t h HIS 569 Ca -0.36 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 57.50 1b3t h HIS 569 Cb 1.20 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 30.03 1b3t h HIS 569 CO 0.60 1.05 0.41 0.82 -1.30 0.00 0.00 177.93 179.51 1b3t h ILE 570 N 0.30 1.26 -0.06 6.26 1.08 -1.96 -2.30 117.51 122.09 1b3t h ILE 570 Ca -0.04 -0.71 -0.15 0.00 -0.39 0.00 0.00 64.86 63.57 1b3t h ILE 570 Cb 1.35 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1b3t h ILE 570 CO 0.13 0.31 -0.62 0.15 -0.69 0.00 0.00 178.15 177.43 1b3t h PHE 571 N 1.19 0.30 -0.68 1.37 3.57 -1.73 -2.83 116.94 118.13 1b3t h PHE 571 Ca 0.29 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1b3t h PHE 571 Cb 0.11 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1b3t h PHE 571 CO 0.01 0.79 0.42 0.00 -2.23 0.00 0.00 178.31 177.30 1b3t h ALA 572 N 1.18 0.86 -0.16 2.41 0.00 -1.27 0.55 119.26 122.84 1b3t h ALA 572 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1b3t h ALA 572 Cb 1.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1b3t h ALA 572 CO 0.10 0.33 -0.29 1.49 0.00 0.00 0.00 179.25 180.87 1b3t h GLU 573 N 0.92 0.30 -0.13 0.00 4.57 -1.35 -1.37 114.58 117.52 1b3t h GLU 573 Ca 0.24 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1b3t h GLU 573 Cb -0.04 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1b3t h GLU 573 CO -0.05 0.57 -0.23 0.28 -1.18 0.00 0.00 179.01 178.41 1b3t h VAL 574 N 0.27 1.37 -0.71 0.32 2.07 -1.16 -2.39 116.25 116.02 1b3t h VAL 574 Ca 0.04 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.09 1b3t h VAL 574 Cb 0.66 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1b3t h VAL 574 CO 0.05 0.43 0.47 0.25 0.02 0.00 0.00 177.57 178.79 1b3t h LEU 575 N -0.02 0.82 -0.79 2.57 6.46 -0.72 -0.80 115.31 122.83 1b3t h LEU 575 Ca 0.01 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1b3t h LEU 575 Cb 0.80 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 1b3t h LEU 575 CO 0.05 0.59 0.52 0.50 -0.62 0.00 0.00 178.44 179.48 1b3t h LYS 576 N 0.97 1.04 -0.27 1.25 3.64 -1.25 -0.69 116.57 121.27 1b3t h LYS 576 Ca 0.26 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1b3t h LYS 576 Cb -0.11 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.46 1b3t h LYS 576 CO -0.06 0.70 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.07 1b3t h ASP 577 N 1.07 0.57 -0.19 4.20 3.32 -0.88 -2.37 116.42 122.14 1b3t h ASP 577 Ca 0.29 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1b3t h ASP 577 Cb -0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1b3t h ASP 577 CO -0.06 0.85 0.05 0.00 -1.72 0.00 0.00 179.24 178.36 1b3t h ALA 578 N 1.18 0.25 -0.42 3.45 0.00 -0.74 -2.01 119.26 120.98 1b3t h ALA 578 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1b3t h ALA 578 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1b3t h ALA 578 CO 0.06 -0.11 0.15 0.82 0.00 0.00 0.00 179.25 180.18 1b3t h ILE 579 N 0.12 1.21 -0.44 0.00 2.04 -1.06 -0.47 117.51 118.90 1b3t h ILE 579 Ca 0.06 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1b3t h ILE 579 Cb 0.26 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1b3t h ILE 579 CO 0.00 0.24 0.06 0.11 0.00 0.00 0.00 178.15 178.56 1b3t h LYS 580 N 0.53 0.69 -0.22 2.37 1.79 -1.44 -2.33 116.57 117.96 1b3t h LYS 580 Ca 0.14 -0.15 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 1b3t h LYS 580 Cb 0.22 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1b3t h LYS 580 CO -0.01 0.66 -0.65 -0.44 -1.08 0.00 0.00 179.45 177.94 1b3t h ASP 581 N 0.66 0.92 -0.16 0.86 3.32 -1.10 -2.01 116.42 118.91 1b3t h ASP 581 Ca 0.14 -0.54 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 1b3t h ASP 581 Cb 0.32 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1b3t h ASP 581 CO 0.01 1.33 -0.16 0.25 -1.72 0.00 0.00 179.24 178.95 1b3t h LEU 582 N 0.59 0.54 0.00 1.55 7.12 -0.97 -3.26 115.31 120.89 1b3t h LEU 582 Ca -0.01 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 1b3t h LEU 582 Cb 1.26 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1b3t h LEU 582 CO 0.14 0.72 -1.04 0.58 -0.13 0.00 0.00 178.44 178.71 1b3t h VAL 583 N 0.50 0.08 0.00 1.05 2.07 -1.41 -3.37 116.25 115.17 1b3t h VAL 583 Ca 0.09 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1b3t h VAL 583 Cb 0.57 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1b3t h VAL 583 CO 0.04 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 1b3t h MET 584 N 0.00 0.00 -0.18 1.57 -0.00 -1.40 -2.81 114.93 112.11 1b3t h MET 584 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1b3t h MET 584 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1b3t h MET 584 CO 0.01 0.14 0.00 0.25 -0.00 0.00 0.00 176.91 177.31 1b3t n THR 585 N -3.49 0.22 -3.67 -0.10 -2.24 -1.26 -4.94 114.28 98.79 1b3t n THR 585 Ca -0.01 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 1b3t n THR 585 Cb 0.29 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1b3t n THR 585 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1b3t s LYS 586 N -1.78 3.47 0.81 -0.78 1.02 -1.06 -5.09 119.74 116.33 1b3t s LYS 586 Ca 0.34 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1b3t s LYS 586 Cb 0.21 -2.78 0.10 0.00 -0.52 0.00 0.00 37.83 34.83 1b3t s LYS 586 CO 0.30 0.30 1.16 -2.14 -0.92 0.00 0.00 175.35 174.06 1b3t s PRO 587 N -4.03 1.78 0.68 -1.68 0.02 -1.26 -4.09 135.00 126.42 1b3t s PRO 587 Ca 0.37 -0.08 -0.17 0.00 0.02 0.00 0.00 61.00 61.14 1b3t s PRO 587 Cb -0.10 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1b3t s PRO 587 CO 0.32 -1.66 1.23 0.00 -0.33 0.00 0.00 177.00 176.57 1b3t s ALA 588 N -3.55 2.29 -0.80 -1.55 0.00 -1.26 -2.33 121.76 114.55 1b3t s ALA 588 Ca 0.64 1.01 0.26 0.00 0.00 0.00 0.00 51.96 53.87 1b3t s ALA 588 Cb -0.10 -3.49 0.74 0.00 0.00 0.00 0.00 23.12 20.27 1b3t s ALA 588 CO 0.49 -1.65 1.64 -0.35 0.00 0.00 0.00 175.76 175.89 1b3t n PRO 589 N -2.24 0.18 -0.29 0.00 -0.04 -1.26 -4.86 135.00 126.50 1b3t n PRO 589 Ca 0.14 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1b3t n PRO 589 Cb 0.49 -1.67 0.17 0.00 -0.04 0.00 0.00 33.50 32.45 1b3t n PRO 589 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1b3t h THR 590 N 0.00 0.89 0.00 0.52 2.02 -1.81 0.85 112.91 115.39 1b3t h THR 590 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1b3t h THR 590 Cb 0.66 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1b3t h THR 590 CO 0.00 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1b3t n ASN 592 N -2.63 2.15 -4.75 0.00 3.02 0.29 -4.80 115.26 108.55 1b3t n ASN 592 Ca -0.01 -1.95 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 1b3t n ASN 592 Cb 0.10 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1b3t n ASN 592 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b3t s ILE 593 N -1.51 3.74 0.11 2.41 1.01 -0.56 -2.86 121.20 123.53 1b3t s ILE 593 Ca 0.29 1.65 0.07 0.00 0.00 0.00 0.00 60.65 62.66 1b3t s ILE 593 Cb 0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1b3t s ILE 593 CO 0.21 0.35 -0.07 -0.13 0.00 0.00 0.00 174.94 175.30 1b3t s ARG 594 N -1.00 2.25 -0.02 2.79 1.81 0.15 -4.90 118.95 120.04 1b3t s ARG 594 Ca 0.46 -0.98 -0.07 0.00 -1.72 0.00 0.00 55.73 53.41 1b3t s ARG 594 Cb -0.30 -2.37 0.01 0.00 -0.45 0.00 0.00 34.95 31.84 1b3t s ARG 594 CO 0.37 0.51 0.15 0.08 -0.68 0.00 0.00 175.30 175.74 1b3t s VAL 595 N -1.28 0.06 -0.04 3.52 1.01 -1.26 -0.94 120.40 121.47 1b3t s VAL 595 Ca 0.23 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1b3t s VAL 595 Cb -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1b3t s VAL 595 CO 0.15 -0.26 0.35 0.28 0.00 0.00 0.00 175.10 175.62 1b3t s THR 596 N -0.94 0.04 0.25 3.92 -1.32 -0.42 -4.98 115.64 112.19 1b3t s THR 596 Ca -0.10 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.73 1b3t s THR 596 Cb -0.06 -0.63 -0.09 0.00 -1.51 0.00 0.00 72.50 70.21 1b3t s THR 596 CO 0.01 -0.19 0.96 -0.69 -2.21 0.00 0.00 174.62 172.50 1b3t s VAL 597 N -1.05 3.99 -0.12 5.08 1.01 -1.26 0.27 120.40 128.31 1b3t s VAL 597 Ca -0.11 2.00 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1b3t s VAL 597 Cb -0.04 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1b3t s VAL 597 CO 0.04 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.47 1b3t s SER 599 N 1.15 6.08 -0.34 0.00 0.01 -1.26 -1.15 113.70 118.19 1b3t s SER 599 Ca -0.03 0.16 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1b3t s SER 599 Cb -0.14 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1b3t s SER 599 CO -0.04 0.14 0.30 -0.36 0.41 0.00 0.00 173.24 173.69 1b3t s PHE 600 N 0.61 3.22 0.33 2.43 0.08 -0.92 -4.99 117.98 118.74 1b3t s PHE 600 Ca 0.07 -0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.08 1b3t s PHE 600 Cb -0.12 -2.58 0.84 0.00 -0.57 0.00 0.00 43.02 40.59 1b3t s PHE 600 CO 0.01 -0.40 1.79 -0.44 -0.10 0.00 0.00 175.22 176.07 1b3t h ASP 601 N 8.48 0.69 -0.00 1.36 5.19 -1.98 -2.99 116.42 127.17 1b3t h ASP 601 Ca -0.30 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1b3t h ASP 601 Cb 1.15 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1b3t h ASP 601 CO 0.67 0.24 -0.14 0.47 -3.12 0.00 0.00 179.24 177.35 1b3t n ASP 602 N -4.71 0.99 0.00 6.45 8.00 -1.26 -5.12 116.55 120.90 1b3t n ASP 602 Ca 0.23 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1b3t n ASP 602 Cb 0.63 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1b3t n ASP 602 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b3t n GLY 603 N 0.76 -1.60 3.17 0.44 0.00 -1.13 -4.94 105.19 101.89 1b3t n GLY 603 Ca 0.03 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1b3t n GLY 603 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3t s VAL 604 N -2.74 2.23 -1.04 1.61 1.01 -0.17 -4.99 120.40 116.31 1b3t s VAL 604 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1b3t s VAL 604 Cb 0.00 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.58 1b3t s VAL 604 CO 0.00 0.53 1.31 -1.81 0.00 0.00 0.00 175.10 175.13 1b3t s ASP 605 N 1.06 6.73 0.28 3.32 1.01 -1.26 -4.26 116.67 123.56 1b3t s ASP 605 Ca -0.01 -2.21 -0.30 0.00 0.71 0.00 0.00 52.55 50.75 1b3t s ASP 605 Cb -0.14 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.24 1b3t s ASP 605 CO -0.07 -1.07 1.51 -0.76 0.21 0.00 0.00 175.17 174.99 1b3t s LEU 606 N 2.95 4.36 0.00 1.23 1.43 -1.26 -5.18 118.68 122.22 1b3t s LEU 606 Ca 0.39 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 56.32 1b3t s LEU 606 Cb -0.03 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1b3t s LEU 606 CO -0.06 -0.80 0.45 -0.81 0.23 0.00 0.00 176.35 175.36