#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbd n ARG 447 N 0.00 0.18 -0.04 1.64 1.85 -1.26 -3.73 116.66 115.29 3fbd n ARG 447 Ca 0.00 0.08 0.12 0.00 -1.00 0.00 0.00 57.85 57.05 3fbd n ARG 447 Cb 0.00 -1.65 0.47 0.00 -1.05 0.00 0.00 32.46 30.23 3fbd n ARG 447 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3fbd n ASN 448 N -1.92 1.40 -4.47 2.89 5.03 -1.26 -1.60 115.26 115.32 3fbd n ASN 448 Ca 0.05 -1.58 -0.30 0.00 0.87 0.00 0.00 54.58 53.62 3fbd n ASN 448 Cb 0.40 -0.06 -0.12 0.00 -1.02 0.00 0.00 39.78 38.98 3fbd n ASN 448 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 3fbd s LYS 449 N -1.88 1.82 0.53 3.52 -2.85 -1.24 -4.74 119.74 114.89 3fbd s LYS 449 Ca 0.35 -1.14 -0.14 0.00 -1.00 0.00 0.00 55.97 54.03 3fbd s LYS 449 Cb 0.18 -2.11 -0.12 0.00 -2.06 0.00 0.00 37.83 33.73 3fbd s LYS 449 CO 0.29 0.49 -0.28 -0.35 0.10 0.00 0.00 175.35 175.60 3fbd n PRO 450 N 1.01 0.00 0.00 1.78 -0.04 -0.95 -4.52 135.00 132.28 3fbd n PRO 450 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3fbd n PRO 450 Cb 0.53 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 3fbd n PRO 450 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fbd n GLY 451 N 2.26 3.85 3.21 0.55 0.00 -0.11 -4.90 105.19 110.04 3fbd n GLY 451 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 45.17 3fbd n GLY 451 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fbd s LYS 452 N 1.23 0.48 0.49 1.61 2.36 -1.26 -2.88 119.74 121.77 3fbd s LYS 452 Ca 0.00 0.90 -0.21 0.00 -2.55 0.00 0.00 55.97 54.11 3fbd s LYS 452 Cb 0.00 0.51 -0.07 0.00 -1.05 0.00 0.00 37.83 37.21 3fbd s LYS 452 CO 0.00 -0.48 1.09 0.00 1.55 0.00 0.00 175.35 177.52 3fbd s ALA 453 N 2.87 2.84 0.33 3.13 0.00 -1.17 -4.79 121.76 124.98 3fbd s ALA 453 Ca 0.13 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3fbd s ALA 453 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3fbd s ALA 453 CO -0.19 -0.52 0.42 0.95 0.00 0.00 0.00 175.76 176.42 3fbd s THR 454 N -1.80 0.00 0.00 0.00 -4.23 -0.16 -0.70 115.64 108.75 3fbd s THR 454 Ca 0.68 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3fbd s THR 454 Cb -0.22 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3fbd s THR 454 CO 0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3fbd n GLY 455 N -0.56 2.99 0.07 3.99 0.00 -1.26 0.51 105.19 110.93 3fbd n GLY 455 Ca 0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 3fbd n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fbd n LYS 456 N -0.21 1.13 0.00 1.61 4.01 -1.26 -4.80 118.16 118.64 3fbd n LYS 456 Ca 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 3fbd n LYS 456 Cb 0.00 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 3fbd n LYS 456 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fbd n GLY 457 N 1.88 0.46 3.60 0.72 0.00 -1.26 -4.13 105.19 106.45 3fbd n GLY 457 Ca -0.23 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 3fbd n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbd s LYS 458 N 0.00 0.36 0.28 1.61 1.02 -0.79 -4.71 119.74 117.51 3fbd s LYS 458 Ca 0.00 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 3fbd s LYS 458 Cb 0.00 0.17 -0.10 0.00 -0.52 0.00 0.00 37.83 37.38 3fbd s LYS 458 CO 0.00 -0.14 1.20 -1.25 -0.92 0.00 0.00 175.35 174.25 3fbd s PRO 459 N -1.76 4.50 0.07 -1.68 0.04 -1.26 0.14 135.00 135.06 3fbd s PRO 459 Ca 0.06 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.13 3fbd s PRO 459 Cb -0.01 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3fbd s PRO 459 CO -0.04 -0.00 -0.14 0.14 0.04 0.00 0.00 177.00 176.99 3fbd s VAL 460 N -0.93 1.11 0.00 -0.36 -7.23 -1.26 -4.91 120.40 106.82 3fbd s VAL 460 Ca 0.48 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 3fbd s VAL 460 Cb -0.35 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.50 3fbd s VAL 460 CO 0.45 -0.24 0.00 -0.46 -0.31 0.00 0.00 175.10 174.54 3fbd n ASN 461 N 1.25 0.00 -1.37 4.85 2.04 -1.26 -5.01 115.26 115.76 3fbd n ASN 461 Ca -0.21 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.00 3fbd n ASN 461 Cb 0.54 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.09 3fbd n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3fbd n ASN 462 N 0.00 4.04 -2.68 0.53 6.94 -1.26 -4.00 115.26 118.83 3fbd n ASN 462 Ca 0.00 -2.42 -0.08 0.00 -0.02 0.00 0.00 54.58 52.06 3fbd n ASN 462 Cb 0.00 -0.54 0.05 0.00 -2.36 0.00 0.00 39.78 36.94 3fbd n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3fbd n LYS 463 N 0.81 1.18 -0.11 -3.83 5.02 -1.26 -4.92 118.16 115.04 3fbd n LYS 463 Ca 0.21 -2.89 -0.09 0.00 -2.02 0.00 0.00 58.31 53.52 3fbd n LYS 463 Cb 0.78 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 3fbd n LYS 463 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 3fbd h TRP 464 N 2.72 -1.12 -0.29 2.13 7.01 -1.96 -2.75 115.95 121.68 3fbd h TRP 464 Ca -0.15 0.06 -0.13 0.00 2.11 0.00 0.00 58.89 60.78 3fbd h TRP 464 Cb 1.21 0.53 -0.08 0.00 -2.10 0.00 0.00 29.16 28.73 3fbd h TRP 464 CO 0.40 -0.31 0.17 1.28 -2.79 0.00 0.00 178.44 177.19 3fbd n LEU 465 N -4.43 3.85 0.12 0.65 4.77 -1.26 -4.08 117.00 116.62 3fbd n LEU 465 Ca -0.02 -1.99 -0.21 0.00 -0.03 0.00 0.00 56.01 53.77 3fbd n LEU 465 Cb 0.21 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 3fbd n LEU 465 CO -0.01 0.61 -0.12 0.78 -1.33 0.00 0.00 177.39 177.32 3fbd h ASN 466 N 0.55 0.71 -0.58 -1.43 -0.26 -1.92 -3.26 115.58 109.38 3fbd h ASN 466 Ca 0.16 -0.72 -0.38 0.00 -0.56 0.00 0.00 56.30 54.80 3fbd h ASN 466 Cb 1.47 -0.23 -0.16 0.00 -1.06 0.00 0.00 38.32 38.34 3fbd h ASN 466 CO 0.32 1.55 0.48 -0.46 -1.06 0.00 0.00 177.43 178.27 3fbd n ASN 467 N -3.68 6.66 -0.14 5.81 2.04 -1.26 -4.13 115.26 120.56 3fbd n ASN 467 Ca -0.13 -3.18 0.10 0.00 -0.44 0.00 0.00 54.58 50.94 3fbd n ASN 467 Cb 1.04 -1.06 -0.09 0.00 -2.53 0.00 0.00 39.78 37.15 3fbd n ASN 467 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3fbd n ALA 468 N 0.19 4.43 -0.44 -2.53 0.00 -1.23 -3.00 120.51 117.92 3fbd n ALA 468 Ca 0.36 -0.61 0.07 0.00 0.00 0.00 0.00 53.44 53.25 3fbd n ALA 468 Cb 0.59 -0.78 0.22 0.00 0.00 0.00 0.00 19.45 19.48 3fbd n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fbd n GLY 469 N 1.48 3.06 3.15 0.00 0.00 -1.26 -2.03 105.19 109.59 3fbd n GLY 469 Ca 0.05 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 3fbd n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbd s LYS 470 N -1.56 0.89 4.78 1.61 1.02 -1.26 -4.80 119.74 120.43 3fbd s LYS 470 Ca 0.33 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3fbd s LYS 470 Cb 0.21 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 3fbd s LYS 470 CO 0.16 0.21 0.00 -0.25 -0.92 0.00 0.00 175.35 174.56 3fbd n ASP 471 N 1.67 0.00 -1.39 2.83 8.00 -1.26 -1.13 116.55 125.27 3fbd n ASP 471 Ca -0.19 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.39 3fbd n ASP 471 Cb 0.54 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.98 3fbd n ASP 471 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3fbd n LEU 472 N 0.00 4.78 0.00 0.64 7.94 -1.26 -4.98 117.00 124.12 3fbd n LEU 472 Ca 0.00 -2.90 0.02 0.00 -1.11 0.00 0.00 56.01 52.02 3fbd n LEU 472 Cb 0.00 -0.60 -0.01 0.00 0.53 0.00 0.00 43.42 43.34 3fbd n LEU 472 CO 0.00 0.67 -0.03 0.61 -1.11 0.00 0.00 177.39 177.52 3fbd n GLY 473 N 0.16 -1.60 3.74 -3.96 0.00 -0.28 -4.71 105.19 98.55 3fbd n GLY 473 Ca 0.24 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 3fbd n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fbd s SER 474 N -4.19 7.48 0.95 1.61 0.01 -0.49 -4.82 113.70 114.25 3fbd s SER 474 Ca 0.00 1.98 -0.15 0.00 1.31 0.00 0.00 55.95 59.09 3fbd s SER 474 Cb 0.00 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.80 3fbd s SER 474 CO 0.00 -0.02 1.22 -2.16 0.41 0.00 0.00 173.24 172.69 3fbd s PRO 475 N -0.70 0.82 -0.36 12.44 0.04 -1.26 -0.28 135.00 145.69 3fbd s PRO 475 Ca 0.45 -0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 3fbd s PRO 475 Cb -0.27 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3fbd s PRO 475 CO 0.33 -2.35 1.14 0.08 0.04 0.00 0.00 177.00 176.24 3fbd s VAL 476 N -3.58 4.35 -0.20 -0.36 1.01 -1.26 -4.69 120.40 115.67 3fbd s VAL 476 Ca 0.69 1.50 -0.41 0.00 0.00 0.00 0.00 61.98 63.76 3fbd s VAL 476 Cb -0.09 -4.43 -0.18 0.00 0.00 0.00 0.00 36.38 31.69 3fbd s VAL 476 CO 0.52 -0.64 1.48 -2.65 0.00 0.00 0.00 175.10 173.82 3fbd n PRO 477 N 7.25 0.63 -0.30 2.72 -0.02 -1.26 -1.89 135.00 142.13 3fbd n PRO 477 Ca 0.13 0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3fbd n PRO 477 Cb 0.48 -1.82 0.32 0.00 -0.02 0.00 0.00 33.50 32.46 3fbd n PRO 477 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3fbd h ASP 478 N 5.21 0.77 0.02 2.55 -0.00 0.11 0.37 116.42 125.44 3fbd h ASP 478 Ca -0.47 0.04 -0.04 0.00 -0.00 0.00 0.00 57.03 56.56 3fbd h ASP 478 Cb 1.36 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 40.56 3fbd h ASP 478 CO 0.86 0.41 -0.09 -0.09 -0.00 0.00 0.00 179.24 180.33 3fbd h ARG 479 N 0.82 0.18 0.01 4.15 2.43 -1.84 -2.06 114.38 118.06 3fbd h ARG 479 Ca 0.46 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3fbd h ARG 479 Cb 0.59 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3fbd h ARG 479 CO -0.22 0.28 -0.00 0.82 -1.51 0.00 0.00 179.97 179.33 3fbd h ILE 480 N 0.17 1.25 -1.07 1.20 1.08 -0.77 -3.33 117.51 116.04 3fbd h ILE 480 Ca 0.04 -1.89 0.34 0.00 -0.39 0.00 0.00 64.86 62.96 3fbd h ILE 480 Cb 0.27 2.34 -0.14 0.00 -3.07 0.00 0.00 36.82 36.22 3fbd h ILE 480 CO 0.01 0.42 0.64 0.00 -0.69 0.00 0.00 178.15 178.53 3fbd h ALA 481 N -0.28 2.15 -0.01 1.87 0.00 -0.50 0.83 119.26 123.32 3fbd h ALA 481 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fbd h ALA 481 Cb 0.69 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3fbd h ALA 481 CO 0.00 -0.74 0.01 -0.91 0.00 0.00 0.00 179.25 177.61 3fbd h ASN 482 N 0.28 0.00 0.49 0.00 2.35 -1.48 0.97 115.58 118.19 3fbd h ASN 482 Ca 0.74 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 56.19 3fbd h ASN 482 Cb 1.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.21 3fbd h ASN 482 CO -0.54 0.00 -1.46 0.11 -1.65 0.00 0.00 177.43 173.89 3fbd h LYS 483 N 0.00 0.26 0.00 0.81 1.79 0.54 -3.36 116.57 116.61 3fbd h LYS 483 Ca 0.01 -0.45 -0.24 0.00 -2.18 0.00 0.00 60.65 57.78 3fbd h LYS 483 Cb 0.02 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 3fbd h LYS 483 CO -0.00 1.14 -1.32 -0.07 -1.08 0.00 0.00 179.45 178.12 3fbd h LEU 484 N 0.07 0.00 -9.12 2.94 3.38 -1.31 -3.48 115.31 107.78 3fbd h LEU 484 Ca -0.22 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.15 3fbd h LEU 484 Cb 2.01 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.93 3fbd h LEU 484 CO 0.17 0.98 -0.91 -1.14 0.09 0.00 0.00 178.44 177.64 3fbd n ARG 485 N -3.20 0.14 -4.01 1.13 0.63 0.30 -3.09 116.66 108.57 3fbd n ARG 485 Ca -0.08 0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 3fbd n ARG 485 Cb 0.99 -1.17 0.02 0.00 0.45 0.00 0.00 32.46 32.74 3fbd n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fbd n ASP 486 N 1.99 -3.85 -3.98 6.15 8.00 0.13 -4.95 116.55 120.02 3fbd n ASP 486 Ca 0.10 -1.23 -0.12 0.00 0.71 0.00 0.00 54.79 54.25 3fbd n ASP 486 Cb 0.45 -2.09 -0.12 0.00 -0.02 0.00 0.00 41.12 39.34 3fbd n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fbd s LYS 487 N -7.09 0.34 -0.11 -1.24 -0.14 -1.18 -4.98 119.74 105.35 3fbd s LYS 487 Ca 0.44 -0.51 -0.24 0.00 -1.36 0.00 0.00 55.97 54.30 3fbd s LYS 487 Cb -0.22 -0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 35.81 3fbd s LYS 487 CO 0.95 0.01 0.74 -2.00 -0.76 0.00 0.00 175.35 174.28 3fbd s GLU 488 N -1.10 4.38 -0.12 1.68 2.56 -1.26 -3.02 118.70 121.82 3fbd s GLU 488 Ca -0.09 0.90 0.02 0.00 0.00 0.00 0.00 54.97 55.80 3fbd s GLU 488 Cb -0.07 -3.50 -0.00 0.00 2.00 0.00 0.00 34.13 32.56 3fbd s GLU 488 CO -0.00 -0.08 -0.20 -0.06 -0.56 0.00 0.00 175.26 174.36 3fbd s PHE 489 N 1.30 2.66 0.61 5.30 0.08 -1.14 -4.99 117.98 121.80 3fbd s PHE 489 Ca 0.37 -0.96 0.39 0.00 0.12 0.00 0.00 56.93 56.86 3fbd s PHE 489 Cb -0.17 -1.78 2.18 0.00 -0.57 0.00 0.00 43.02 42.68 3fbd s PHE 489 CO 0.16 -0.38 2.31 0.87 -0.10 0.00 0.00 175.22 178.08 3fbd h LYS 490 N 6.82 0.00 0.00 0.44 1.79 -1.93 -0.28 116.57 123.42 3fbd h LYS 490 Ca -0.23 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.36 3fbd h LYS 490 Cb 1.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3fbd h LYS 490 CO 0.51 0.01 0.33 -1.13 -1.08 0.00 0.00 179.45 178.09 3fbd n SER 491 N -3.33 -0.49 0.10 0.86 3.41 -1.26 -2.25 113.62 110.66 3fbd n SER 491 Ca -0.03 -1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 57.29 3fbd n SER 491 Cb 0.09 0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 64.67 3fbd n SER 491 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3fbd h PHE 492 N 1.38 0.49 -0.45 7.33 3.57 -1.58 -2.09 116.94 125.59 3fbd h PHE 492 Ca -0.08 -0.36 0.06 0.00 3.53 0.00 0.00 57.97 61.11 3fbd h PHE 492 Cb 0.45 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3fbd h PHE 492 CO 0.00 1.28 0.16 0.37 -2.23 0.00 0.00 178.31 177.90 3fbd h GLN 493 N 0.07 0.32 -0.99 1.11 4.15 -1.96 0.21 115.11 118.03 3fbd h GLN 493 Ca -0.14 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.38 3fbd h GLN 493 Cb 1.97 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 29.51 3fbd h GLN 493 CO 0.20 0.21 0.61 0.22 -1.93 0.00 0.00 178.83 178.15 3fbd h ASP 494 N 0.33 0.90 -0.03 -0.69 -0.00 -1.89 -2.19 116.42 112.84 3fbd h ASP 494 Ca 0.21 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.29 3fbd h ASP 494 Cb 0.21 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3fbd h ASP 494 CO -0.22 0.47 -0.01 0.15 -0.00 0.00 0.00 179.24 179.64 3fbd h PHE 495 N 0.97 0.07 -0.35 0.28 3.04 -0.15 -2.88 116.94 117.92 3fbd h PHE 495 Ca 0.49 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.49 3fbd h PHE 495 Cb 0.49 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 3fbd h PHE 495 CO -0.01 0.40 -0.05 -0.09 -2.02 0.00 0.00 178.31 176.54 3fbd h ARG 496 N -0.27 0.04 -0.07 1.11 2.43 -0.28 0.20 114.38 117.53 3fbd h ARG 496 Ca 0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3fbd h ARG 496 Cb 0.37 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3fbd h ARG 496 CO 0.00 0.03 -0.19 0.87 -1.51 0.00 0.00 179.97 179.17 3fbd h LYS 497 N 0.04 -0.26 -0.00 0.20 1.79 -1.46 0.21 116.57 117.09 3fbd h LYS 497 Ca 0.17 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3fbd h LYS 497 Cb 0.25 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3fbd h LYS 497 CO -0.33 -0.17 -0.16 0.87 -1.08 0.00 0.00 179.45 178.58 3fbd h LYS 498 N -0.27 0.01 0.46 3.15 1.79 -1.17 0.11 116.57 120.65 3fbd h LYS 498 Ca 0.08 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3fbd h LYS 498 Cb 0.38 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3fbd h LYS 498 CO -0.23 0.16 -0.22 0.35 -1.08 0.00 0.00 179.45 178.43 3fbd h PHE 499 N 0.01 -0.58 -0.00 -1.35 3.57 0.07 -1.46 116.94 117.20 3fbd h PHE 499 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3fbd h PHE 499 Cb 0.28 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3fbd h PHE 499 CO 0.00 -0.36 0.00 -1.49 -2.23 0.00 0.00 178.31 174.23 3fbd h TRP 500 N -1.13 0.00 0.00 0.41 -0.00 -0.83 0.35 115.95 114.75 3fbd h TRP 500 Ca -0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.76 3fbd h TRP 500 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.63 3fbd h TRP 500 CO 0.00 0.00 -0.30 0.93 -0.00 0.00 0.00 178.44 179.07 3fbd h GLU 501 N 0.00 0.00 -0.01 0.49 5.08 -0.71 -2.75 114.58 116.68 3fbd h GLU 501 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3fbd h GLU 501 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3fbd h GLU 501 CO -0.00 0.30 -0.79 0.93 -1.00 0.00 0.00 179.01 178.45 3fbd h GLU 502 N 0.00 0.11 -0.47 2.33 4.39 0.78 -2.97 114.58 118.75 3fbd h GLU 502 Ca -0.00 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 3fbd h GLU 502 Cb 0.80 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3fbd h GLU 502 CO 0.04 0.84 -0.03 0.28 -1.16 0.00 0.00 179.01 178.99 3fbd h VAL 503 N 0.07 1.27 0.00 3.13 2.07 -1.05 -2.25 116.25 119.48 3fbd h VAL 503 Ca -0.02 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3fbd h VAL 503 Cb 1.39 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3fbd h VAL 503 CO 0.11 0.38 0.00 0.77 0.02 0.00 0.00 177.57 178.86 3fbd h SER 504 N 0.71 0.00 0.56 0.57 4.64 -1.44 -2.80 113.55 115.79 3fbd h SER 504 Ca 0.13 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.16 3fbd h SER 504 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3fbd h SER 504 CO 0.03 0.00 -1.39 0.11 -0.87 0.00 0.00 176.83 174.71 3fbd h LYS 505 N 0.00 0.24 -6.22 4.77 1.57 -1.29 -3.45 116.57 112.19 3fbd h LYS 505 Ca 0.00 -0.40 -0.58 0.00 -1.87 0.00 0.00 60.65 57.80 3fbd h LYS 505 Cb 0.43 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3fbd h LYS 505 CO 0.00 1.13 1.31 0.34 -0.57 0.00 0.00 179.45 181.66 3fbd s ASP 506 N -7.01 5.83 0.23 0.86 -1.08 -0.89 -4.92 116.67 109.71 3fbd s ASP 506 Ca -0.06 1.46 -0.08 0.00 -0.52 0.00 0.00 52.55 53.35 3fbd s ASP 506 Cb 0.07 -2.52 0.39 0.00 -1.46 0.00 0.00 42.92 39.40 3fbd s ASP 506 CO 0.86 -1.73 1.66 -0.65 0.52 0.00 0.00 175.17 175.83 3fbd h PRO 507 N 13.19 0.14 -0.35 4.34 0.11 -1.87 0.03 132.00 147.60 3fbd h PRO 507 Ca -0.35 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.58 3fbd h PRO 507 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fbd h PRO 507 CO 1.01 0.09 -0.43 0.93 -0.21 0.00 0.00 178.00 179.39 3fbd h GLU 508 N 0.14 0.89 -0.24 1.05 3.07 -1.94 -2.82 114.58 114.73 3fbd h GLU 508 Ca 0.38 -0.49 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3fbd h GLU 508 Cb 0.65 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3fbd h GLU 508 CO -0.58 1.14 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.89 3fbd h LEU 509 N 0.71 0.59 0.09 1.33 3.38 -1.76 -3.34 115.31 116.32 3fbd h LEU 509 Ca 0.05 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.57 3fbd h LEU 509 Cb 1.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3fbd h LEU 509 CO 0.10 0.93 -0.42 0.28 0.09 0.00 0.00 178.44 179.42 3fbd h SER 510 N 0.27 -1.28 -1.26 -0.43 0.02 -0.99 -1.79 113.55 108.10 3fbd h SER 510 Ca 0.04 0.13 0.36 0.00 -0.84 0.00 0.00 61.79 61.49 3fbd h SER 510 Cb 0.75 0.47 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 3fbd h SER 510 CO 0.05 -0.44 1.21 0.29 -1.14 0.00 0.00 176.83 176.80 3fbd n LYS 511 N -4.85 0.01 0.09 3.45 4.76 -1.07 0.42 118.16 120.97 3fbd n LYS 511 Ca -0.07 0.97 0.10 0.00 -2.87 0.00 0.00 58.31 56.45 3fbd n LYS 511 Cb 0.33 -2.36 0.43 0.00 -1.84 0.00 0.00 35.03 31.59 3fbd n LYS 511 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3fbd n GLN 512 N -3.33 0.13 -4.30 1.97 6.02 -0.67 -4.84 117.38 112.36 3fbd n GLN 512 Ca 0.28 0.36 -0.24 0.00 -0.01 0.00 0.00 57.00 57.39 3fbd n GLN 512 Cb 1.59 -1.75 -0.08 0.00 1.02 0.00 0.00 30.24 31.02 3fbd n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3fbd s PHE 513 N -3.21 2.58 0.67 1.08 0.08 0.17 -5.10 117.98 114.25 3fbd s PHE 513 Ca 0.05 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 3fbd s PHE 513 Cb 0.09 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3fbd s PHE 513 CO 0.35 0.48 1.06 -1.54 -0.10 0.00 0.00 175.22 175.48 3fbd s SER 514 N -3.72 5.78 0.33 1.36 1.04 -1.26 -4.85 113.70 112.38 3fbd s SER 514 Ca 0.35 1.33 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3fbd s SER 514 Cb -0.02 -2.25 0.56 0.00 0.10 0.00 0.00 66.02 64.41 3fbd s SER 514 CO 0.20 -1.15 1.98 -0.09 0.98 0.00 0.00 173.24 175.16 3fbd h ARG 515 N -0.51 0.89 -0.24 4.02 2.43 -1.99 -0.51 114.38 118.47 3fbd h ARG 515 Ca -0.44 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3fbd h ARG 515 Cb 1.22 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 3fbd h ARG 515 CO 0.62 0.62 -0.19 -0.91 -1.51 0.00 0.00 179.97 178.60 3fbd h ASN 516 N 0.91 -0.62 0.28 -3.80 -0.26 -2.00 -0.56 115.58 109.53 3fbd h ASN 516 Ca 0.24 0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 56.00 3fbd h ASN 516 Cb -0.05 0.30 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3fbd h ASN 516 CO -0.05 -0.23 -0.41 0.78 -1.06 0.00 0.00 177.43 176.47 3fbd h ASN 517 N -0.19 0.18 0.18 5.81 2.35 -1.60 -2.62 115.58 119.69 3fbd h ASN 517 Ca 0.14 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3fbd h ASN 517 Cb 0.39 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3fbd h ASN 517 CO -0.35 0.57 -0.39 0.78 -1.65 0.00 0.00 177.43 176.39 3fbd h ASN 518 N 0.15 0.30 -0.40 5.81 4.21 -0.41 0.17 115.58 125.40 3fbd h ASN 518 Ca 0.01 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.40 3fbd h ASN 518 Cb 0.79 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 3fbd h ASN 518 CO 0.06 0.67 0.26 0.44 -1.29 0.00 0.00 177.43 177.57 3fbd h ASP 519 N 0.24 0.47 -0.12 5.81 3.45 -0.77 0.23 116.42 125.73 3fbd h ASP 519 Ca 0.02 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3fbd h ASP 519 Cb 0.80 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3fbd h ASP 519 CO 0.06 0.35 -0.02 0.03 -1.57 0.00 0.00 179.24 178.10 3fbd h ARG 520 N 0.54 0.22 0.00 3.56 3.08 -1.15 -2.97 114.38 117.67 3fbd h ARG 520 Ca 0.15 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3fbd h ARG 520 Cb -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3fbd h ARG 520 CO -0.03 0.50 -0.07 0.52 -1.07 0.00 0.00 179.97 179.81 3fbd h MET 521 N -0.08 0.00 0.00 0.04 2.86 -0.40 0.20 114.93 117.55 3fbd h MET 521 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3fbd h MET 521 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3fbd h MET 521 CO 0.01 0.07 0.00 0.87 1.06 0.00 0.00 176.91 178.92 3fbd h LYS 522 N 0.00 0.00 -0.19 1.72 1.57 -0.37 -2.15 116.57 117.14 3fbd h LYS 522 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3fbd h LYS 522 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3fbd h LYS 522 CO 0.01 0.00 -0.16 1.33 -0.57 0.00 0.00 179.45 180.06 3fbd n VAL 523 N -2.84 2.32 -1.02 0.50 0.24 0.61 -4.88 118.33 113.26 3fbd n VAL 523 Ca -0.01 -2.66 -0.01 0.00 -2.04 0.00 0.00 64.34 59.62 3fbd n VAL 523 Cb 0.17 -0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 32.26 3fbd n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fbd n GLY 524 N -1.08 0.40 3.85 7.63 0.00 -0.81 -5.00 105.19 110.19 3fbd n GLY 524 Ca 0.25 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3fbd n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbd s LYS 525 N -0.83 3.85 0.61 1.61 1.02 -0.65 -4.18 119.74 121.18 3fbd s LYS 525 Ca 0.00 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.13 3fbd s LYS 525 Cb 0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3fbd s LYS 525 CO 0.00 0.58 1.12 0.00 -0.92 0.00 0.00 175.35 176.12 3fbd s ALA 526 N -1.33 2.56 0.55 5.17 0.00 -1.26 -3.20 121.76 124.25 3fbd s ALA 526 Ca 0.32 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 3fbd s ALA 526 Cb -0.15 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3fbd s ALA 526 CO 0.17 -1.07 1.11 -2.14 0.00 0.00 0.00 175.76 173.83 3fbd s PRO 527 N -3.77 3.38 0.37 0.00 0.02 -1.26 -4.79 135.00 128.95 3fbd s PRO 527 Ca 0.69 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 63.00 3fbd s PRO 527 Cb -0.22 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.18 3fbd s PRO 527 CO 0.36 -0.81 0.93 0.15 -0.33 0.00 0.00 177.00 177.30 3fbd s LYS 528 N -3.40 4.37 0.45 5.54 3.01 -1.26 -1.61 119.74 126.83 3fbd s LYS 528 Ca 0.71 1.18 0.08 0.00 -1.01 0.00 0.00 55.97 56.93 3fbd s LYS 528 Cb -0.22 -2.48 0.02 0.00 -1.01 0.00 0.00 37.83 34.15 3fbd s LYS 528 CO 0.28 0.12 0.56 -0.08 0.51 0.00 0.00 175.35 176.74 3fbd s THR 529 N -1.91 2.75 0.36 2.17 -1.32 -0.75 -4.83 115.64 112.11 3fbd s THR 529 Ca 0.56 -1.09 -0.28 0.00 -1.21 0.00 0.00 61.69 59.67 3fbd s THR 529 Cb -0.13 -2.84 -0.11 0.00 -1.51 0.00 0.00 72.50 67.91 3fbd s THR 529 CO 0.18 0.00 1.46 -0.13 -2.21 0.00 0.00 174.62 173.92 3fbd s ARG 530 N -4.35 4.16 0.53 7.08 0.52 -1.26 -4.87 118.95 120.76 3fbd s ARG 530 Ca 0.54 2.50 0.27 0.00 -0.52 0.00 0.00 55.73 58.52 3fbd s ARG 530 Cb -0.08 -2.99 1.43 0.00 0.52 0.00 0.00 34.95 33.83 3fbd s ARG 530 CO 0.32 -0.47 1.96 1.79 0.02 0.00 0.00 175.30 178.92 3fbd h THR 531 N 3.02 0.67 0.00 0.02 1.35 -1.96 0.78 112.91 116.79 3fbd h THR 531 Ca -0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 3fbd h THR 531 Cb 1.24 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3fbd h THR 531 CO 0.65 0.00 -0.13 0.06 -0.25 0.00 0.00 175.52 175.86 3fbd h GLN 532 N 0.00 0.00 -0.01 4.72 3.07 -2.04 -3.02 115.11 117.83 3fbd h GLN 532 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.05 3fbd h GLN 532 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3fbd h GLN 532 CO -0.00 0.13 -0.07 -0.25 0.09 0.00 0.00 178.83 178.72 3fbd n ASP 533 N -3.20 0.65 -3.54 0.06 10.43 0.27 -4.91 116.55 116.32 3fbd n ASP 533 Ca 0.02 -0.91 -0.25 0.00 2.57 0.00 0.00 54.79 56.22 3fbd n ASP 533 Cb 0.46 -0.03 0.18 0.00 1.84 0.00 0.00 41.12 43.57 3fbd n ASP 533 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 3fbd n VAL 534 N -0.67 0.00 -3.27 2.53 0.24 -1.12 -2.38 118.33 113.66 3fbd n VAL 534 Ca 0.17 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 3fbd n VAL 534 Cb 0.26 -1.49 -0.04 0.00 -1.47 0.00 0.00 33.84 31.11 3fbd n VAL 534 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fbd s SER 535 N -4.80 -0.27 1.74 -1.34 0.15 -0.45 -3.95 113.70 104.78 3fbd s SER 535 Ca 0.62 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3fbd s SER 535 Cb -0.03 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 3fbd s SER 535 CO 0.45 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.29 3fbd n GLY 536 N 4.28 2.92 0.19 9.45 0.00 -1.26 -1.04 105.19 119.73 3fbd n GLY 536 Ca 0.12 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3fbd n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fbd n LYS 537 N 13.48 1.26 -3.05 1.61 4.76 -1.26 -4.65 118.16 130.31 3fbd n LYS 537 Ca 0.00 -0.37 -0.44 0.00 -2.87 0.00 0.00 58.31 54.63 3fbd n LYS 537 Cb 0.00 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 31.68 3fbd n LYS 537 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3fbd s ARG 538 N -1.98 3.16 0.00 1.97 0.52 -0.20 -4.82 118.95 117.60 3fbd s ARG 538 Ca 0.41 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3fbd s ARG 538 Cb 0.20 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.56 3fbd s ARG 538 CO 0.33 -1.37 0.63 0.25 0.02 0.00 0.00 175.30 175.16 3fbd n THR 539 N 5.78 0.37 -4.51 0.02 -2.24 -1.26 -1.34 114.28 111.10 3fbd n THR 539 Ca -0.05 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 3fbd n THR 539 Cb 0.46 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 3fbd n THR 539 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fbd s SER 540 N -0.37 4.67 0.19 3.42 0.01 -1.26 -1.81 113.70 118.55 3fbd s SER 540 Ca 0.00 -0.09 -0.33 0.00 1.31 0.00 0.00 55.95 56.84 3fbd s SER 540 Cb 0.00 -1.13 -0.14 0.00 0.21 0.00 0.00 66.02 64.96 3fbd s SER 540 CO 0.00 0.31 1.49 0.49 0.41 0.00 0.00 173.24 175.94 3fbd n PHE 541 N 1.79 2.17 -4.13 2.43 3.72 -0.64 -4.52 117.46 118.28 3fbd n PHE 541 Ca -0.16 0.36 -0.30 0.00 -0.05 0.00 0.00 57.45 57.30 3fbd n PHE 541 Cb 0.53 -2.49 -0.08 0.00 -0.94 0.00 0.00 39.48 36.49 3fbd n PHE 541 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3fbd s GLU 542 N 0.36 2.52 -0.01 -1.08 2.02 -0.66 -4.73 118.70 117.12 3fbd s GLU 542 Ca 0.75 -0.86 -0.19 0.00 0.02 0.00 0.00 54.97 54.69 3fbd s GLU 542 Cb -0.69 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3fbd s GLU 542 CO 0.43 0.53 0.54 -0.51 0.02 0.00 0.00 175.26 176.27 3fbd s LEU 543 N -2.33 4.42 0.15 1.80 1.43 -1.26 -0.67 118.68 122.21 3fbd s LEU 543 Ca 0.26 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 3fbd s LEU 543 Cb -0.12 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 3fbd s LEU 543 CO 0.18 0.15 -0.13 -2.28 0.23 0.00 0.00 176.35 174.50 3fbd s HIS 544 N -0.33 2.60 -0.19 0.29 2.46 0.25 -4.90 115.29 115.47 3fbd s HIS 544 Ca 0.28 -0.23 -0.06 0.00 0.47 0.00 0.00 55.06 55.52 3fbd s HIS 544 Cb -0.18 -1.31 -0.03 0.00 -0.13 0.00 0.00 32.58 30.93 3fbd s HIS 544 CO 0.15 0.46 0.03 -1.01 -2.47 0.00 0.00 174.74 171.91 3fbd s HIS 545 N -1.47 3.12 0.04 3.88 3.76 -1.25 -2.08 115.29 121.28 3fbd s HIS 545 Ca 0.22 -0.20 -0.26 0.00 -0.15 0.00 0.00 55.06 54.67 3fbd s HIS 545 Cb -0.10 -2.08 -0.17 0.00 1.11 0.00 0.00 32.58 31.34 3fbd s HIS 545 CO 0.13 -0.06 1.45 1.49 -0.85 0.00 0.00 174.74 176.91 3fbd h GLU 546 N 7.12 -0.25 -4.83 1.40 4.81 -1.05 -3.36 114.58 118.42 3fbd h GLU 546 Ca -0.35 0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.20 3fbd h GLU 546 Cb 1.18 0.06 -0.19 0.00 0.63 0.00 0.00 28.75 30.42 3fbd h GLU 546 CO 0.64 0.00 -0.17 0.21 -0.73 0.00 0.00 179.01 178.97 3fbd s LYS 547 N -5.24 3.09 0.44 1.92 2.47 -1.26 -5.04 119.74 116.13 3fbd s LYS 547 Ca -0.15 -0.84 -0.20 0.00 -1.56 0.00 0.00 55.97 53.22 3fbd s LYS 547 Cb 0.03 -4.01 -0.14 0.00 -1.46 0.00 0.00 37.83 32.25 3fbd s LYS 547 CO 0.62 -0.94 0.16 -2.30 0.16 0.00 0.00 175.35 173.04 3fbd n PRO 548 N 5.67 0.14 0.12 4.03 -0.02 -1.26 -3.65 135.00 140.03 3fbd n PRO 548 Ca -0.08 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 3fbd n PRO 548 Cb 0.47 -1.15 0.32 0.00 -0.02 0.00 0.00 33.50 33.12 3fbd n PRO 548 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3fbd h ILE 549 N 0.33 1.24 0.00 4.25 1.08 -1.91 -0.77 117.51 121.72 3fbd h ILE 549 Ca -0.39 -1.12 -0.13 0.00 -0.39 0.00 0.00 64.86 62.83 3fbd h ILE 549 Cb 1.44 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.61 3fbd h ILE 549 CO 0.47 0.34 -0.64 0.77 -0.69 0.00 0.00 178.15 178.40 3fbd h SER 550 N 0.19 0.00 -0.52 1.72 4.64 -1.92 -2.45 113.55 115.21 3fbd h SER 550 Ca 0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 3fbd h SER 550 Cb 0.57 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.56 3fbd h SER 550 CO 0.04 0.64 0.23 0.00 -0.87 0.00 0.00 176.83 176.86 3fbd n GLN 551 N -3.45 2.62 -3.36 4.77 6.02 -0.80 -4.91 117.38 118.27 3fbd n GLN 551 Ca 0.00 -1.99 -0.18 0.00 -0.01 0.00 0.00 57.00 54.83 3fbd n GLN 551 Cb 0.72 -1.87 0.07 0.00 1.02 0.00 0.00 30.24 30.17 3fbd n GLN 551 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3fbd n ASN 552 N -0.11 -5.44 -4.96 1.08 2.85 -0.92 -4.76 115.26 103.00 3fbd n ASN 552 Ca 0.29 -0.74 -0.19 0.00 -0.11 0.00 0.00 54.58 53.83 3fbd n ASN 552 Cb 1.08 -4.91 -0.01 0.00 1.24 0.00 0.00 39.78 37.18 3fbd n ASN 552 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3fbd s GLY 553 N -3.61 1.78 -0.06 8.20 0.00 -0.36 -4.98 107.32 108.29 3fbd s GLY 553 Ca 0.36 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 3fbd s GLY 553 CO 0.76 -1.48 1.27 -0.32 0.00 0.00 0.00 173.10 173.33 3fbd s GLY 554 N -4.18 1.95 0.29 0.20 0.00 -1.26 -4.70 107.32 99.61 3fbd s GLY 554 Ca 0.47 0.66 0.08 0.00 0.00 0.00 0.00 44.72 45.93 3fbd s GLY 554 CO 0.30 2.35 1.68 -2.08 0.00 0.00 0.00 173.10 175.36 3fbd h VAL 555 N 5.09 1.34 -0.01 1.40 2.07 -1.95 -3.18 116.25 121.00 3fbd h VAL 555 Ca -0.34 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 3fbd h VAL 555 Cb 1.16 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3fbd h VAL 555 CO 0.90 0.49 -0.53 -1.22 0.02 0.00 0.00 177.57 177.22 3fbd n TYR 556 N -3.98 0.05 -2.94 1.57 4.01 -1.26 -4.92 117.16 109.70 3fbd n TYR 556 Ca -0.02 -1.46 -0.44 0.00 -0.16 0.00 0.00 57.90 55.82 3fbd n TYR 556 Cb 0.51 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3fbd n TYR 556 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3fbd s ASP 557 N -3.18 6.73 0.62 7.72 3.68 -1.20 -0.99 116.67 130.04 3fbd s ASP 557 Ca 0.38 -2.26 0.14 0.00 2.13 0.00 0.00 52.55 52.94 3fbd s ASP 557 Cb 0.37 -2.40 0.77 0.00 -1.45 0.00 0.00 42.92 40.21 3fbd s ASP 557 CO -0.07 -0.99 1.41 0.24 0.13 0.00 0.00 175.17 175.89 3fbd h MET 558 N 8.46 0.00 -0.17 4.34 2.86 -0.29 1.95 114.93 132.08 3fbd h MET 558 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3fbd h MET 558 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3fbd h MET 558 CO 1.13 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.85 3fbd n ASP 559 N -2.59 1.57 -0.07 1.22 8.00 -1.26 -2.96 116.55 120.47 3fbd n ASP 559 Ca -0.01 -1.71 0.01 0.00 0.71 0.00 0.00 54.79 53.79 3fbd n ASP 559 Cb 0.66 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3fbd n ASP 559 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3fbd n ASN 560 N 0.27 0.89 -4.74 -2.24 4.05 0.66 -4.98 115.26 109.17 3fbd n ASN 560 Ca 0.16 -0.95 -0.24 0.00 0.45 0.00 0.00 54.58 54.00 3fbd n ASN 560 Cb 0.31 0.27 -0.06 0.00 1.23 0.00 0.00 39.78 41.53 3fbd n ASN 560 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3fbd s ILE 561 N -0.46 4.04 -0.26 -1.44 1.01 -0.99 -0.32 121.20 122.78 3fbd s ILE 561 Ca 0.02 -1.46 -0.26 0.00 0.00 0.00 0.00 60.65 58.95 3fbd s ILE 561 Cb 0.02 -3.12 0.14 0.00 0.01 0.00 0.00 42.46 39.51 3fbd s ILE 561 CO 0.04 -0.25 1.15 -0.94 0.00 0.00 0.00 174.94 174.94 3fbd s SER 562 N -3.43 -0.31 -0.08 3.58 1.04 -0.88 -4.10 113.70 109.52 3fbd s SER 562 Ca 0.31 0.53 -0.29 0.00 0.48 0.00 0.00 55.95 56.97 3fbd s SER 562 Cb -0.08 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3fbd s SER 562 CO 0.22 -0.15 0.99 -0.69 0.98 0.00 0.00 173.24 174.59 3fbd s VAL 563 N -0.20 4.81 0.37 5.02 1.01 0.61 0.88 120.40 132.91 3fbd s VAL 563 Ca 0.04 2.02 0.05 0.00 0.00 0.00 0.00 61.98 64.09 3fbd s VAL 563 Cb -0.04 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3fbd s VAL 563 CO -0.07 0.05 0.20 0.68 0.00 0.00 0.00 175.10 175.96 3fbd s VAL 564 N 1.74 0.31 0.21 2.92 -7.23 0.16 -1.39 120.40 117.12 3fbd s VAL 564 Ca 0.49 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 3fbd s VAL 564 Cb -0.19 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3fbd s VAL 564 CO 0.20 0.00 0.26 0.42 -0.31 0.00 0.00 175.10 175.67 3fbd s THR 565 N -3.34 4.90 0.27 5.32 -4.23 -0.86 -1.65 115.64 116.05 3fbd s THR 565 Ca 0.31 -1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3fbd s THR 565 Cb 0.02 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.49 3fbd s THR 565 CO 0.20 -0.25 1.91 -0.65 -0.54 0.00 0.00 174.62 175.29 3fbd h PRO 566 N 1.65 1.15 -0.42 3.99 0.11 -1.79 0.36 132.00 137.05 3fbd h PRO 566 Ca -0.50 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 3fbd h PRO 566 Cb 1.22 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3fbd h PRO 566 CO 0.63 0.81 0.18 -0.22 -0.21 0.00 0.00 178.00 179.18 3fbd h LYS 567 N 1.17 0.63 -0.01 1.05 3.11 -1.59 -2.34 116.57 118.58 3fbd h LYS 567 Ca 0.30 -0.11 -0.16 0.00 -2.81 0.00 0.00 60.65 57.87 3fbd h LYS 567 Cb -0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 3fbd h LYS 567 CO -0.06 0.58 -0.73 -0.09 -2.81 0.00 0.00 179.45 176.34 3fbd h ARG 568 N 0.54 0.07 -0.16 1.90 9.65 -1.68 -3.17 114.38 121.53 3fbd h ARG 568 Ca 0.14 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 3fbd h ARG 568 Cb 0.18 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3fbd h ARG 568 CO -0.01 0.77 -0.33 1.25 2.80 0.00 0.00 179.97 184.45 3fbd h HIS 569 N 0.04 0.37 -0.15 2.20 2.76 -0.08 -1.83 115.15 118.46 3fbd h HIS 569 Ca -0.01 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 57.97 3fbd h HIS 569 Cb 1.30 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 3fbd h HIS 569 CO 0.01 0.62 -0.35 0.82 -1.30 0.00 0.00 177.93 177.72 3fbd h ILE 570 N 0.28 1.29 0.14 6.26 1.08 -1.41 -1.49 117.51 123.65 3fbd h ILE 570 Ca 0.04 -1.41 -0.28 0.00 -0.39 0.00 0.00 64.86 62.82 3fbd h ILE 570 Cb 0.72 1.57 0.01 0.00 -3.07 0.00 0.00 36.82 36.05 3fbd h ILE 570 CO 0.05 0.43 -1.25 0.44 -0.69 0.00 0.00 178.15 177.13 3fbd h ASP 571 N 0.27 0.56 0.19 1.72 3.32 -1.48 -3.29 116.42 117.71 3fbd h ASP 571 Ca 0.03 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 3fbd h ASP 571 Cb 0.75 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3fbd h ASP 571 CO 0.06 1.43 -0.16 0.40 -1.72 0.00 0.00 179.24 179.25 3fbd h ILE 572 N 0.12 0.66 0.00 0.35 2.04 -1.11 0.58 117.51 120.16 3fbd h ILE 572 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3fbd h ILE 572 Cb 1.95 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3fbd h ILE 572 CO 0.22 0.00 0.00 1.57 0.00 0.00 0.00 178.15 179.94 3fbd n HIS 573 N -5.28 0.00 -2.97 1.37 -0.00 -0.58 -2.98 115.22 104.78 3fbd n HIS 573 Ca -0.08 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.96 3fbd n HIS 573 Cb 0.20 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.08 3fbd n HIS 573 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3fbd n ARG 574 N -0.83 1.03 -1.88 1.57 1.85 -0.67 -4.97 116.66 112.75 3fbd n ARG 574 Ca 0.01 -2.94 -0.19 0.00 -1.00 0.00 0.00 57.85 53.73 3fbd n ARG 574 Cb 0.01 -1.37 -0.05 0.00 -1.05 0.00 0.00 32.46 29.99 3fbd n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fbd n GLY 575 N 0.18 0.94 3.46 2.89 0.00 -1.16 -4.95 105.19 106.55 3fbd n GLY 575 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3fbd n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60