#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbd n LYS 446 N 0.00 0.48 0.00 1.43 3.00 -1.26 -4.28 118.16 117.53 3fbd n LYS 446 Ca 0.00 0.17 0.02 0.00 -0.00 0.00 0.00 58.31 58.50 3fbd n LYS 446 Cb 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 35.03 33.84 3fbd n LYS 446 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3fbd n ARG 447 N -3.59 0.81 -0.07 1.64 1.85 -1.26 -2.75 116.66 113.29 3fbd n ARG 447 Ca -0.40 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.38 3fbd n ARG 447 Cb 0.84 -1.09 -0.10 0.00 -1.05 0.00 0.00 32.46 31.06 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 -0.59 1.99 -4.78 2.89 5.03 -1.26 -0.92 115.26 117.62 3fbd n ASN 448 Ca 0.03 -0.01 -0.37 0.00 0.87 0.00 0.00 54.58 55.10 3fbd n ASN 448 Cb 0.02 0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 39.37 3fbd n ASN 448 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3fbd s LYS 449 N -2.31 4.56 1.02 3.52 1.02 -1.11 -4.34 119.74 122.10 3fbd s LYS 449 Ca -0.09 1.34 -0.16 0.00 0.02 0.00 0.00 55.97 57.08 3fbd s LYS 449 Cb 0.04 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 3fbd s LYS 449 CO 0.50 0.25 0.03 -0.35 -0.92 0.00 0.00 175.35 174.86 3fbd n PRO 450 N 0.51 -0.74 -2.19 -1.68 -0.04 0.14 -4.59 135.00 126.41 3fbd n PRO 450 Ca 0.02 -0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3fbd n PRO 450 Cb 0.50 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.99 1.19 3.11 0.55 0.00 0.29 -4.95 105.19 107.38 3fbd n GLY 451 Ca 0.03 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.02 1.49 0.10 1.61 2.20 -1.26 -1.34 119.74 120.52 3fbd s LYS 452 Ca 0.07 -0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 54.83 3fbd s LYS 452 Cb -0.01 -1.35 -0.08 0.00 -1.51 0.00 0.00 37.83 34.88 3fbd s LYS 452 CO 0.02 0.25 1.41 0.00 -0.36 0.00 0.00 175.35 176.67 3fbd s ALA 453 N -0.05 3.60 -0.05 3.13 0.00 -0.39 -4.70 121.76 123.30 3fbd s ALA 453 Ca -0.01 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 3fbd s ALA 453 Cb -0.09 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.49 3fbd s ALA 453 CO 0.01 -0.69 0.21 0.95 0.00 0.00 0.00 175.76 176.24 3fbd s THR 454 N 1.39 0.03 0.00 0.00 -4.23 -0.69 -1.75 115.64 110.39 3fbd s THR 454 Ca 0.65 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3fbd s THR 454 Cb -0.36 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.08 3fbd s THR 454 CO 0.30 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 3fbd n GLY 455 N 2.23 4.31 0.11 3.99 0.00 -1.26 0.11 105.19 114.68 3fbd n GLY 455 Ca -0.17 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 3fbd n GLY 455 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fbd h LYS 456 N 0.00 0.11 0.00 1.61 3.11 -1.92 -3.45 116.57 116.03 3fbd h LYS 456 Ca 0.00 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 3fbd h LYS 456 Cb 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 3fbd h LYS 456 CO 0.00 1.09 0.00 0.41 -2.81 0.00 0.00 179.45 178.14 3fbd n GLY 457 N 1.63 -2.15 3.12 5.01 0.00 -1.26 -4.54 105.19 106.99 3fbd n GLY 457 Ca -0.29 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.18 0.59 0.30 1.61 1.02 -0.65 -4.69 119.74 117.73 3fbd s LYS 458 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 3fbd s LYS 458 Cb 0.00 0.23 -0.10 0.00 -0.52 0.00 0.00 37.83 37.44 3fbd s LYS 458 CO 0.00 -0.15 1.19 -1.25 -0.92 0.00 0.00 175.35 174.22 3fbd s PRO 459 N -2.55 4.52 0.09 -1.68 0.04 -1.26 0.28 135.00 134.44 3fbd s PRO 459 Ca -0.05 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.00 3fbd s PRO 459 Cb -0.01 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3fbd s PRO 459 CO -0.04 0.03 -0.10 0.14 0.04 0.00 0.00 177.00 177.06 3fbd s VAL 460 N -1.08 0.95 0.42 -0.36 -7.23 -1.26 -4.92 120.40 106.92 3fbd s VAL 460 Ca 0.47 -1.59 -0.07 0.00 -1.81 0.00 0.00 61.98 58.98 3fbd s VAL 460 Cb -0.35 -1.31 0.11 0.00 0.56 0.00 0.00 36.38 35.39 3fbd s VAL 460 CO 0.46 -0.51 0.25 -3.20 -0.31 0.00 0.00 175.10 171.78 3fbd n ASN 461 N 0.66 -2.55 -0.62 4.85 2.85 -1.26 -4.96 115.26 114.24 3fbd n ASN 461 Ca -0.17 -0.28 0.07 0.00 -0.11 0.00 0.00 54.58 54.09 3fbd n ASN 461 Cb 0.57 -0.28 0.10 0.00 1.24 0.00 0.00 39.78 41.41 3fbd n ASN 461 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3fbd n ASN 462 N -3.80 2.48 -3.17 1.20 6.94 -1.26 -4.33 115.26 113.33 3fbd n ASN 462 Ca 0.04 -1.72 -0.21 0.00 -0.02 0.00 0.00 54.58 52.67 3fbd n ASN 462 Cb 0.17 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.73 1.21 0.00 -3.83 5.02 -1.26 -4.85 118.16 115.18 3fbd n LYS 463 Ca 0.10 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.84 3fbd n LYS 463 Cb 0.38 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3fbd n LYS 463 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3fbd n TRP 464 N 0.51 0.00 0.18 2.13 -0.00 -1.26 -3.28 117.44 115.72 3fbd n TRP 464 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.77 3fbd n TRP 464 Cb 0.59 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 32.00 3fbd n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3fbd n LEU 465 N -0.45 0.00 -0.30 5.87 4.77 -1.26 -3.35 117.00 122.28 3fbd n LEU 465 Ca 0.00 0.31 0.35 0.00 -0.03 0.00 0.00 56.01 56.64 3fbd n LEU 465 Cb 0.00 -0.31 0.70 0.00 -2.33 0.00 0.00 43.42 41.48 3fbd n LEU 465 CO 0.00 -0.27 1.32 -1.13 -1.33 0.00 0.00 177.39 175.98 3fbd h ASN 466 N 0.00 0.00 -1.02 -1.43 -0.73 -1.97 0.09 115.58 110.52 3fbd h ASN 466 Ca 0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 3fbd h ASN 466 Cb 0.04 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.21 3fbd h ASN 466 CO 0.00 0.00 -0.81 -0.46 -0.37 0.00 0.00 177.43 175.79 3fbd n ASN 467 N -3.83 4.59 -0.22 1.15 2.04 -1.21 -4.69 115.26 113.07 3fbd n ASN 467 Ca 0.26 -3.63 0.14 0.00 -0.44 0.00 0.00 54.58 50.90 3fbd n ASN 467 Cb 1.36 -0.40 0.50 0.00 -2.53 0.00 0.00 39.78 38.71 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 -0.60 2.87 -0.72 -2.53 0.00 0.02 -3.54 120.51 116.01 3fbd n ALA 468 Ca 0.39 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.56 3fbd n ALA 468 Cb 0.85 -1.22 0.27 0.00 0.00 0.00 0.00 19.45 19.34 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 1.28 3.36 3.08 0.00 0.00 -1.26 -2.51 105.19 109.14 3fbd n GLY 469 Ca 0.14 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.20 1.54 4.43 1.61 1.02 -1.23 -4.82 119.74 120.10 3fbd s LYS 470 Ca 0.41 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3fbd s LYS 470 Cb 0.30 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 3fbd s LYS 470 CO 0.15 0.17 0.00 -0.25 -0.92 0.00 0.00 175.35 174.49 3fbd n ASP 471 N 3.31 0.00 -1.60 2.83 8.00 -1.26 -0.89 116.55 126.94 3fbd n ASP 471 Ca -0.19 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 3fbd n ASP 471 Cb 0.53 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.83 3fbd n ASP 471 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbd n LEU 472 N 0.00 5.21 0.00 0.64 4.32 -1.26 -5.00 117.00 120.91 3fbd n LEU 472 Ca 0.00 -3.65 0.00 0.00 -0.02 0.00 0.00 56.01 52.34 3fbd n LEU 472 Cb 0.00 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 3fbd n LEU 472 CO 0.00 1.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.91 3fbd n GLY 473 N -1.05 -0.15 3.82 -0.72 0.00 -0.07 -4.57 105.19 102.45 3fbd n GLY 473 Ca 0.43 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.00 6.56 1.16 1.61 0.01 -0.20 -4.76 113.70 114.08 3fbd s SER 474 Ca 0.00 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.74 3fbd s SER 474 Cb 0.00 -2.17 0.27 0.00 0.21 0.00 0.00 66.02 64.33 3fbd s SER 474 CO 0.00 0.28 1.12 -2.16 0.41 0.00 0.00 173.24 172.89 3fbd s PRO 475 N -0.59 -0.92 -0.24 12.44 0.04 -1.26 0.38 135.00 144.85 3fbd s PRO 475 Ca 0.19 -0.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.01 3fbd s PRO 475 Cb -0.14 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3fbd s PRO 475 CO 0.07 -3.52 0.68 0.08 0.04 0.00 0.00 177.00 174.35 3fbd s VAL 476 N -3.04 4.96 -0.03 -0.36 1.01 -1.26 -4.67 120.40 117.00 3fbd s VAL 476 Ca 0.70 1.24 -0.38 0.00 0.00 0.00 0.00 61.98 63.55 3fbd s VAL 476 Cb -0.11 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.13 3fbd s VAL 476 CO 0.56 0.02 1.48 -2.65 0.00 0.00 0.00 175.10 174.51 3fbd n PRO 477 N 5.66 1.18 -0.29 2.72 -0.02 -1.26 -1.64 135.00 141.35 3fbd n PRO 477 Ca 0.01 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 3fbd n PRO 477 Cb 0.49 -2.09 0.29 0.00 -0.02 0.00 0.00 33.50 32.17 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 5.49 0.82 -0.37 2.55 3.04 -0.41 0.40 116.42 127.94 3fbd h ASP 478 Ca -0.47 0.02 0.08 0.00 -3.24 0.00 0.00 57.03 53.42 3fbd h ASP 478 Cb 1.33 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 3fbd h ASP 478 CO 0.84 0.49 0.26 -0.09 -2.04 0.00 0.00 179.24 178.70 3fbd h ARG 479 N 0.91 0.13 0.04 4.15 2.43 -1.88 0.78 114.38 120.94 3fbd h ARG 479 Ca 0.41 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 59.26 3fbd h ARG 479 Cb 0.37 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3fbd h ARG 479 CO -0.17 0.08 -1.75 0.82 -1.51 0.00 0.00 179.97 177.44 3fbd h ILE 480 N 0.13 0.83 -0.44 1.20 2.04 -0.80 -3.28 117.51 117.19 3fbd h ILE 480 Ca 0.17 -2.63 -0.01 0.00 1.00 0.00 0.00 64.86 63.39 3fbd h ILE 480 Cb 0.50 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 3fbd h ILE 480 CO -0.02 0.64 0.23 0.00 0.00 0.00 0.00 178.15 179.00 3fbd h ALA 481 N 0.70 1.58 -0.27 1.87 0.00 0.59 -2.03 119.26 121.69 3fbd h ALA 481 Ca -0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3fbd h ALA 481 Cb 2.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3fbd h ALA 481 CO 0.09 0.35 0.02 -0.91 0.00 0.00 0.00 179.25 178.80 3fbd h ASN 482 N 0.60 0.45 -0.57 0.00 2.35 -0.97 -0.95 115.58 116.50 3fbd h ASN 482 Ca 0.16 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3fbd h ASN 482 Cb 0.04 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3fbd h ASN 482 CO -0.02 0.63 0.24 0.11 -1.65 0.00 0.00 177.43 176.74 3fbd h LYS 483 N 0.26 0.84 0.00 0.81 1.79 -1.49 -3.16 116.57 115.62 3fbd h LYS 483 Ca 0.08 -0.14 -0.20 0.00 -2.18 0.00 0.00 60.65 58.20 3fbd h LYS 483 Cb 0.39 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3fbd h LYS 483 CO 0.01 0.71 -0.99 -0.07 -1.08 0.00 0.00 179.45 178.03 3fbd h LEU 484 N 0.77 0.00 -9.37 2.94 3.38 -1.42 -3.47 115.31 108.13 3fbd h LEU 484 Ca 0.19 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.55 3fbd h LEU 484 Cb 0.17 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.06 3fbd h LEU 484 CO -0.02 0.93 -0.27 -1.14 0.09 0.00 0.00 178.44 178.03 3fbd n ARG 485 N -3.31 0.72 -3.02 1.13 0.63 -0.36 -2.29 116.66 110.17 3fbd n ARG 485 Ca -0.01 0.26 -0.22 0.00 -0.92 0.00 0.00 57.85 56.96 3fbd n ARG 485 Cb 0.92 -1.59 0.03 0.00 0.45 0.00 0.00 32.46 32.27 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 1.18 -5.74 -4.56 6.15 8.00 -0.72 -4.97 116.55 115.91 3fbd n ASP 486 Ca 0.11 -0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.06 3fbd n ASP 486 Cb 0.38 -4.66 -0.10 0.00 -0.02 0.00 0.00 41.12 36.72 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 -5.69 2.04 -0.09 -1.24 -0.14 -0.97 -4.92 119.74 108.73 3fbd s LYS 487 Ca 0.29 -1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 53.63 3fbd s LYS 487 Cb -0.13 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 3fbd s LYS 487 CO 0.36 0.48 0.31 -2.00 -0.76 0.00 0.00 175.35 173.74 3fbd s GLU 488 N -2.42 3.95 -0.05 1.68 2.56 -1.26 -1.26 118.70 121.90 3fbd s GLU 488 Ca 0.22 0.18 0.04 0.00 0.00 0.00 0.00 54.97 55.41 3fbd s GLU 488 Cb -0.10 -3.30 -0.00 0.00 2.00 0.00 0.00 34.13 32.73 3fbd s GLU 488 CO 0.14 0.53 -0.16 -0.06 -0.56 0.00 0.00 175.26 175.14 3fbd s PHE 489 N -0.44 1.65 0.15 5.30 0.08 -0.45 -4.99 117.98 119.28 3fbd s PHE 489 Ca 0.19 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 3fbd s PHE 489 Cb -0.14 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 3fbd s PHE 489 CO 0.08 -0.19 1.49 0.87 -0.10 0.00 0.00 175.22 177.38 3fbd h LYS 490 N 6.38 0.96 -3.48 0.44 1.79 -1.93 0.86 116.57 121.59 3fbd h LYS 490 Ca -0.32 -0.48 -0.02 0.00 -2.18 0.00 0.00 60.65 57.65 3fbd h LYS 490 Cb 1.18 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 3fbd h LYS 490 CO 0.48 1.14 -0.03 -1.54 -1.08 0.00 0.00 179.45 178.43 3fbd s SER 491 N -6.81 -0.14 0.40 0.86 1.04 -1.26 -0.69 113.70 107.10 3fbd s SER 491 Ca -0.11 -0.83 0.10 0.00 0.48 0.00 0.00 55.95 55.58 3fbd s SER 491 Cb 0.11 0.62 0.82 0.00 0.10 0.00 0.00 66.02 67.68 3fbd s SER 491 CO 0.88 -1.19 1.95 0.15 0.98 0.00 0.00 173.24 176.01 3fbd h PHE 492 N 2.19 0.26 -0.74 5.02 3.57 -1.32 -0.20 116.94 125.73 3fbd h PHE 492 Ca -0.24 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.28 3fbd h PHE 492 Cb 1.25 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3fbd h PHE 492 CO 0.40 0.34 0.45 0.37 -2.23 0.00 0.00 178.31 177.64 3fbd h GLN 493 N 0.25 0.82 -0.50 1.11 4.15 -1.96 0.25 115.11 119.22 3fbd h GLN 493 Ca 0.05 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3fbd h GLN 493 Cb 0.30 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3fbd h GLN 493 CO 0.01 0.54 0.29 0.22 -1.93 0.00 0.00 178.83 177.96 3fbd h ASP 494 N 0.84 0.62 -0.42 -0.69 -0.00 -1.45 -2.34 116.42 112.98 3fbd h ASP 494 Ca 0.31 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.03 57.26 3fbd h ASP 494 Cb 0.11 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.26 3fbd h ASP 494 CO -0.15 0.52 0.26 0.15 -0.00 0.00 0.00 179.24 180.03 3fbd h PHE 495 N 0.67 0.55 0.43 0.28 3.04 -0.18 -2.16 116.94 119.57 3fbd h PHE 495 Ca 0.18 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 3fbd h PHE 495 Cb 0.03 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 3fbd h PHE 495 CO -0.02 0.38 -0.52 -0.09 -2.02 0.00 0.00 178.31 176.04 3fbd h ARG 496 N 0.56 -0.94 -0.72 1.11 2.43 -0.22 0.53 114.38 117.14 3fbd h ARG 496 Ca 0.15 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 3fbd h ARG 496 Cb -0.02 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3fbd h ARG 496 CO -0.03 -0.62 0.48 0.87 -1.51 0.00 0.00 179.97 179.15 3fbd h LYS 497 N -0.97 0.68 -0.48 0.20 1.57 -1.41 0.58 116.57 116.74 3fbd h LYS 497 Ca -0.05 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3fbd h LYS 497 Cb 0.86 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3fbd h LYS 497 CO -0.11 0.45 -0.16 0.87 -0.57 0.00 0.00 179.45 179.93 3fbd h LYS 498 N 0.70 0.93 0.80 3.15 1.79 -0.81 -1.66 116.57 121.47 3fbd h LYS 498 Ca 0.32 -0.36 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3fbd h LYS 498 Cb 0.35 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3fbd h LYS 498 CO -0.11 1.01 -0.50 0.35 -1.08 0.00 0.00 179.45 179.12 3fbd h PHE 499 N 0.82 -1.33 -0.07 -1.35 3.57 0.23 -1.26 116.94 117.54 3fbd h PHE 499 Ca 0.12 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3fbd h PHE 499 Cb 0.70 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3fbd h PHE 499 CO 0.04 -0.74 -0.12 -1.49 -2.23 0.00 0.00 178.31 173.77 3fbd h TRP 500 N -1.22 0.11 0.00 0.41 4.06 -1.30 -1.26 115.95 116.75 3fbd h TRP 500 Ca -0.11 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.79 3fbd h TRP 500 Cb 0.98 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 3fbd h TRP 500 CO -0.11 0.23 -0.23 0.93 -3.56 0.00 0.00 178.44 175.70 3fbd h GLU 501 N 0.10 0.00 -0.09 0.49 5.08 -0.90 -2.01 114.58 117.26 3fbd h GLU 501 Ca 0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3fbd h GLU 501 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fbd h GLU 501 CO 0.02 0.23 -0.67 0.93 -1.00 0.00 0.00 179.01 178.51 3fbd h GLU 502 N 0.00 0.61 -0.50 2.33 4.39 -0.07 -2.94 114.58 118.39 3fbd h GLU 502 Ca -0.00 -0.54 0.09 0.00 0.34 0.00 0.00 59.36 59.25 3fbd h GLU 502 Cb 0.42 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 3fbd h GLU 502 CO 0.03 1.16 0.04 0.28 -1.16 0.00 0.00 179.01 179.36 3fbd h VAL 503 N 0.24 0.65 0.00 3.13 2.07 -0.79 0.17 116.25 121.73 3fbd h VAL 503 Ca -0.06 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3fbd h VAL 503 Cb 1.32 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3fbd h VAL 503 CO 0.14 0.03 -0.07 0.77 0.02 0.00 0.00 177.57 178.45 3fbd h SER 504 N 0.16 0.00 0.42 0.57 4.64 -1.35 -0.08 113.55 117.92 3fbd h SER 504 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3fbd h SER 504 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3fbd h SER 504 CO -0.39 0.07 -0.02 0.29 -0.87 0.00 0.00 176.83 175.92 3fbd n LYS 505 N -3.66 0.59 -3.36 4.77 5.02 0.55 -4.76 118.16 117.31 3fbd n LYS 505 Ca -0.02 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 3fbd n LYS 505 Cb 0.18 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 3fbd n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fbd s ASP 506 N -2.43 6.20 0.15 4.39 -1.08 -0.04 -4.98 116.67 118.86 3fbd s ASP 506 Ca 0.33 -0.36 -0.23 0.00 -0.52 0.00 0.00 52.55 51.76 3fbd s ASP 506 Cb 0.21 -2.21 0.01 0.00 -1.46 0.00 0.00 42.92 39.47 3fbd s ASP 506 CO 0.44 -0.43 1.62 -0.65 0.52 0.00 0.00 175.17 176.68 3fbd h PRO 507 N 8.55 -0.28 -0.86 4.34 0.11 -1.85 0.77 132.00 142.77 3fbd h PRO 507 Ca -0.28 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.86 3fbd h PRO 507 Cb 1.13 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3fbd h PRO 507 CO 0.73 -0.19 0.57 0.93 -0.21 0.00 0.00 178.00 179.83 3fbd h GLU 508 N -0.29 1.10 0.10 1.05 3.07 -1.94 -3.06 114.58 114.61 3fbd h GLU 508 Ca 0.13 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 3fbd h GLU 508 Cb 0.48 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3fbd h GLU 508 CO -0.38 0.73 -0.77 -0.07 -1.40 0.00 0.00 179.01 177.13 3fbd h LEU 509 N 1.14 0.34 -1.49 1.33 3.38 -1.79 -3.36 115.31 114.86 3fbd h LEU 509 Ca 0.33 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3fbd h LEU 509 Cb -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3fbd h LEU 509 CO -0.09 1.35 0.00 0.77 0.09 0.00 0.00 178.44 180.57 3fbd h SER 510 N -0.52 0.00 1.34 -0.43 4.64 -0.92 -1.14 113.55 116.52 3fbd h SER 510 Ca -0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.08 3fbd h SER 510 Cb 1.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3fbd h SER 510 CO 0.09 0.00 -0.43 0.11 -0.87 0.00 0.00 176.83 175.73 3fbd h LYS 511 N 0.00 0.00 0.00 4.77 1.57 -1.67 -3.08 116.57 118.16 3fbd h LYS 511 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fbd h LYS 511 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fbd h LYS 511 CO 0.00 0.43 0.00 1.96 -0.57 0.00 0.00 179.45 181.27 3fbd h GLN 512 N 0.00 0.00 -6.07 3.15 4.20 -1.37 -3.45 115.11 111.57 3fbd h GLN 512 Ca -0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.12 3fbd h GLN 512 Cb 1.21 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 3fbd h GLN 512 CO 0.06 0.00 -0.40 -0.06 -0.67 0.00 0.00 178.83 177.76 3fbd s PHE 513 N -3.33 3.49 0.60 2.96 0.08 -1.16 -5.09 117.98 115.53 3fbd s PHE 513 Ca 0.06 0.36 -0.18 0.00 0.12 0.00 0.00 56.93 57.29 3fbd s PHE 513 Cb 0.09 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 3fbd s PHE 513 CO 0.55 0.49 1.15 -1.54 -0.10 0.00 0.00 175.22 175.77 3fbd s SER 514 N -2.68 5.30 0.31 1.36 1.04 -1.26 -4.79 113.70 112.98 3fbd s SER 514 Ca 0.38 2.21 0.08 0.00 0.48 0.00 0.00 55.95 59.10 3fbd s SER 514 Cb -0.12 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.27 3fbd s SER 514 CO 0.27 -1.50 1.72 -0.09 0.98 0.00 0.00 173.24 174.61 3fbd h ARG 515 N 0.72 0.50 0.33 4.02 9.65 -1.97 0.09 114.38 127.72 3fbd h ARG 515 Ca -0.49 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3fbd h ARG 515 Cb 1.27 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 3fbd h ARG 515 CO 0.55 0.33 -0.31 -0.97 2.80 0.00 0.00 179.97 182.37 3fbd h ASN 516 N 0.52 -0.82 0.02 -3.80 -1.24 -2.01 -2.31 115.58 105.93 3fbd h ASN 516 Ca 0.63 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.69 3fbd h ASN 516 Cb 1.20 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 40.53 3fbd h ASN 516 CO -0.50 -0.44 -0.03 0.78 -1.29 0.00 0.00 177.43 175.95 3fbd h ASN 517 N -0.66 0.05 -0.17 1.15 2.35 -1.39 -2.06 115.58 114.86 3fbd h ASN 517 Ca -0.02 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3fbd h ASN 517 Cb 0.59 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3fbd h ASN 517 CO -0.05 0.10 -0.13 0.78 -1.65 0.00 0.00 177.43 176.47 3fbd h ASN 518 N 0.06 0.54 -0.33 5.81 4.21 -0.74 -1.82 115.58 123.31 3fbd h ASN 518 Ca 0.01 -0.15 -0.03 0.00 1.21 0.00 0.00 56.30 57.35 3fbd h ASN 518 Cb 0.10 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 3fbd h ASN 518 CO 0.00 0.70 0.13 0.44 -1.29 0.00 0.00 177.43 177.42 3fbd h ASP 519 N 0.51 0.52 0.07 5.81 3.45 -0.84 -1.86 116.42 124.07 3fbd h ASP 519 Ca 0.09 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.32 3fbd h ASP 519 Cb 0.53 -0.13 0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3fbd h ASP 519 CO 0.03 0.50 -0.72 0.03 -1.57 0.00 0.00 179.24 177.51 3fbd h ARG 520 N 0.56 0.36 0.00 3.56 3.08 -1.36 -3.26 114.38 117.33 3fbd h ARG 520 Ca 0.14 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 3fbd h ARG 520 Cb 0.17 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3fbd h ARG 520 CO -0.01 1.18 -0.15 0.52 -1.07 0.00 0.00 179.97 180.44 3fbd h MET 521 N -0.22 0.00 0.00 0.04 2.86 -1.21 -0.52 114.93 115.88 3fbd h MET 521 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fbd h MET 521 Cb 1.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3fbd h MET 521 CO 0.14 0.15 0.00 0.87 1.06 0.00 0.00 176.91 179.13 3fbd h LYS 522 N 0.00 0.00 0.00 1.72 1.57 -1.38 -2.32 116.57 116.16 3fbd h LYS 522 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fbd h LYS 522 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3fbd h LYS 522 CO 0.02 0.00 -0.00 1.33 -0.57 0.00 0.00 179.45 180.23 3fbd n VAL 523 N -2.55 1.27 0.00 0.50 0.24 -0.35 -4.92 118.33 112.51 3fbd n VAL 523 Ca 0.00 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 3fbd n VAL 523 Cb 0.18 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.80 0.82 3.79 7.63 0.00 -0.89 -5.04 105.19 110.70 3fbd n GLY 524 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.80 4.24 0.72 1.61 1.02 -0.35 -4.10 119.74 122.08 3fbd s LYS 525 Ca 0.00 1.41 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 3fbd s LYS 525 Cb 0.00 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3fbd s LYS 525 CO 0.00 -0.05 1.07 0.00 -0.92 0.00 0.00 175.35 175.44 3fbd s ALA 526 N -1.74 2.58 0.75 5.17 0.00 -1.26 -3.08 121.76 124.17 3fbd s ALA 526 Ca 0.57 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 3fbd s ALA 526 Cb -0.19 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3fbd s ALA 526 CO 0.24 -1.34 1.09 -2.14 0.00 0.00 0.00 175.76 173.60 3fbd s PRO 527 N -5.04 2.43 -0.15 0.00 0.02 -1.26 -4.73 135.00 126.26 3fbd s PRO 527 Ca 0.59 1.15 -0.19 0.00 0.02 0.00 0.00 61.00 62.57 3fbd s PRO 527 Cb -0.14 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3fbd s PRO 527 CO 0.55 -1.51 0.51 0.21 -0.33 0.00 0.00 177.00 176.43 3fbd s LYS 528 N -4.85 4.29 0.84 5.54 2.47 -1.26 -1.83 119.74 124.93 3fbd s LYS 528 Ca 0.61 0.46 -0.12 0.00 -1.56 0.00 0.00 55.97 55.36 3fbd s LYS 528 Cb -0.17 -3.49 0.10 0.00 -1.46 0.00 0.00 37.83 32.81 3fbd s LYS 528 CO 0.54 0.03 1.15 -0.08 0.16 0.00 0.00 175.35 177.15 3fbd s THR 529 N 1.05 2.20 0.46 3.43 -1.32 -0.73 -4.88 115.64 115.85 3fbd s THR 529 Ca 0.26 0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.58 3fbd s THR 529 Cb -0.15 -2.95 -0.08 0.00 -1.51 0.00 0.00 72.50 67.82 3fbd s THR 529 CO 0.10 -0.08 1.13 -0.13 -2.21 0.00 0.00 174.62 173.43 3fbd s ARG 530 N -5.41 3.78 0.20 7.08 0.52 -1.26 -4.91 118.95 118.95 3fbd s ARG 530 Ca 0.62 1.67 -0.11 0.00 -0.52 0.00 0.00 55.73 57.40 3fbd s ARG 530 Cb -0.13 -2.35 0.24 0.00 0.52 0.00 0.00 34.95 33.23 3fbd s ARG 530 CO 0.51 -0.51 1.72 1.79 0.02 0.00 0.00 175.30 178.84 3fbd h THR 531 N 1.82 0.72 0.00 0.02 1.35 -1.96 0.50 112.91 115.36 3fbd h THR 531 Ca -0.49 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3fbd h THR 531 Cb 1.24 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3fbd h THR 531 CO 0.60 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 3fbd n GLN 532 N -5.08 0.26 -0.01 4.72 0.00 -1.26 -1.45 117.38 114.56 3fbd n GLN 532 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.08 3fbd n GLN 532 Cb 0.27 -1.27 0.02 0.00 0.00 0.00 0.00 30.24 29.26 3fbd n GLN 532 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3fbd n ASP 533 N -0.77 1.42 -4.94 2.61 10.43 0.18 -5.01 116.55 120.47 3fbd n ASP 533 Ca 0.03 -1.30 -0.25 0.00 2.57 0.00 0.00 54.79 55.85 3fbd n ASP 533 Cb 0.02 -0.01 0.01 0.00 1.84 0.00 0.00 41.12 42.98 3fbd n ASP 533 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3fbd s VAL 534 N -0.38 4.07 -0.40 2.53 -7.23 -0.53 -2.39 120.40 116.08 3fbd s VAL 534 Ca 0.03 -0.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 3fbd s VAL 534 Cb 0.02 -3.54 0.13 0.00 0.56 0.00 0.00 36.38 33.55 3fbd s VAL 534 CO 0.03 -0.45 0.22 -0.55 -0.31 0.00 0.00 175.10 174.04 3fbd s SER 535 N -4.22 3.44 0.59 4.85 0.15 -0.82 -4.33 113.70 113.36 3fbd s SER 535 Ca 0.49 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.76 3fbd s SER 535 Cb -0.10 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 3fbd s SER 535 CO 0.41 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3fbd n GLY 536 N 3.84 1.38 0.00 9.45 0.00 -1.26 -2.49 105.19 116.11 3fbd n GLY 536 Ca 0.09 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 8.35 0.47 -2.89 1.61 4.76 -1.26 -4.53 118.16 124.67 3fbd n LYS 537 Ca 0.00 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 3fbd n LYS 537 Cb 0.00 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 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 -2.20 3.25 0.00 1.97 0.52 -1.04 -4.84 118.95 116.62 3fbd s ARG 538 Ca 0.24 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3fbd s ARG 538 Cb 0.12 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.50 3fbd s ARG 538 CO 0.23 -1.52 0.06 -2.37 0.02 0.00 0.00 175.30 171.73 3fbd n THR 539 N 6.05 0.00 -3.67 0.02 5.66 -1.26 -1.95 114.28 119.13 3fbd n THR 539 Ca -0.01 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.31 3fbd n THR 539 Cb 0.47 1.05 -0.05 0.00 -1.55 0.00 0.00 70.33 70.25 3fbd n THR 539 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3fbd s SER 540 N -0.61 6.50 0.42 1.09 0.01 -1.26 -1.77 113.70 118.08 3fbd s SER 540 Ca 0.00 0.60 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 3fbd s SER 540 Cb 0.00 -2.10 -0.10 0.00 0.21 0.00 0.00 66.02 64.03 3fbd s SER 540 CO 0.00 0.07 0.99 0.49 0.41 0.00 0.00 173.24 175.20 3fbd n PHE 541 N 0.18 1.11 -4.44 2.43 3.72 -0.76 -4.47 117.46 115.23 3fbd n PHE 541 Ca -0.03 0.56 -0.29 0.00 -0.05 0.00 0.00 57.45 57.63 3fbd n PHE 541 Cb 0.52 -2.22 -0.12 0.00 -0.94 0.00 0.00 39.48 36.71 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 -2.02 1.67 -0.29 -1.08 2.02 0.31 -4.83 118.70 114.49 3fbd s GLU 542 Ca 0.63 -1.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 3fbd s GLU 542 Cb -0.56 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 3fbd s GLU 542 CO 0.57 0.48 0.26 -0.51 0.02 0.00 0.00 175.26 176.08 3fbd s LEU 543 N -1.94 4.11 -0.18 1.80 1.43 -1.26 0.64 118.68 123.28 3fbd s LEU 543 Ca 0.15 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3fbd s LEU 543 Cb -0.10 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 3fbd s LEU 543 CO 0.07 -0.13 -0.02 -2.28 0.23 0.00 0.00 176.35 174.22 3fbd s HIS 544 N 1.87 3.03 -0.49 0.29 5.65 0.56 -4.91 115.29 121.29 3fbd s HIS 544 Ca 0.10 -0.39 -0.28 0.00 0.25 0.00 0.00 55.06 54.73 3fbd s HIS 544 Cb -0.16 -2.02 0.03 0.00 -1.18 0.00 0.00 32.58 29.25 3fbd s HIS 544 CO 0.11 -0.15 1.12 -1.01 -0.65 0.00 0.00 174.74 174.16 3fbd s HIS 545 N 0.69 2.79 0.21 3.88 3.76 -1.26 -2.24 115.29 123.12 3fbd s HIS 545 Ca -0.01 0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 55.37 3fbd s HIS 545 Cb -0.14 -4.41 0.22 0.00 1.11 0.00 0.00 32.58 29.36 3fbd s HIS 545 CO 0.02 -1.31 1.61 1.49 -0.85 0.00 0.00 174.74 175.71 3fbd h GLU 546 N 9.27 -0.04 -4.34 1.40 4.81 -0.65 -3.20 114.58 121.82 3fbd h GLU 546 Ca -0.23 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.27 3fbd h GLU 546 Cb 1.06 0.01 -0.25 0.00 0.63 0.00 0.00 28.75 30.20 3fbd h GLU 546 CO 1.13 -0.03 -0.37 0.21 -0.73 0.00 0.00 179.01 179.22 3fbd s LYS 547 N -6.18 2.83 0.31 1.92 2.20 -1.26 -5.04 119.74 114.50 3fbd s LYS 547 Ca -0.14 -1.43 -0.11 0.00 -0.36 0.00 0.00 55.97 53.93 3fbd s LYS 547 Cb 0.19 -4.01 -0.09 0.00 -1.51 0.00 0.00 37.83 32.41 3fbd s LYS 547 CO 0.73 -1.03 -0.08 -2.30 -0.36 0.00 0.00 175.35 172.30 3fbd n PRO 548 N 5.09 0.00 0.09 4.03 -0.02 -1.21 -4.01 135.00 138.98 3fbd n PRO 548 Ca -0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 3fbd n PRO 548 Cb 0.43 -0.59 -0.10 0.00 -0.02 0.00 0.00 33.50 33.21 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 -0.02 1.42 0.00 4.25 2.04 -1.87 -2.20 117.51 121.13 3fbd h ILE 549 Ca -0.24 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 62.89 3fbd h ILE 549 Cb 0.86 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3fbd h ILE 549 CO 0.25 0.81 0.00 -1.54 0.00 0.00 0.00 178.15 177.66 3fbd n SER 550 N -3.66 0.00 -2.18 1.72 3.41 -1.26 -1.84 113.62 109.81 3fbd n SER 550 Ca -0.09 -0.75 -0.03 0.00 -0.26 0.00 0.00 58.87 57.74 3fbd n SER 550 Cb 0.96 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.96 3fbd n SER 550 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fbd n GLN 551 N -0.63 1.61 -3.22 4.33 6.02 -1.14 -5.00 117.38 119.36 3fbd n GLN 551 Ca 0.03 -3.23 -0.09 0.00 -0.01 0.00 0.00 57.00 53.69 3fbd n GLN 551 Cb 0.01 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 29.97 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 -0.39 -7.06 -4.49 1.08 5.15 -0.77 -4.85 115.26 103.93 3fbd n ASN 552 Ca 0.14 -0.41 -0.34 0.00 -0.60 0.00 0.00 54.58 53.37 3fbd n ASN 552 Cb 0.91 -4.92 -0.12 0.00 -0.53 0.00 0.00 39.78 35.11 3fbd n ASN 552 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3fbd s GLY 553 N -3.17 1.68 -0.35 8.20 0.00 -0.84 -4.95 107.32 107.89 3fbd s GLY 553 Ca 0.19 -0.85 -0.36 0.00 0.00 0.00 0.00 44.72 43.71 3fbd s GLY 553 CO 0.76 -0.23 2.18 0.61 0.00 0.00 0.00 173.10 176.42 3fbd n GLY 554 N 3.22 0.48 0.18 0.20 0.00 -1.26 -4.67 105.19 103.33 3fbd n GLY 554 Ca -0.18 0.94 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 3fbd n GLY 554 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fbd h VAL 555 N 7.04 1.21 -0.44 1.61 2.07 -1.95 -3.15 116.25 122.64 3fbd h VAL 555 Ca -0.27 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 3fbd h VAL 555 Cb 1.33 0.98 -0.12 0.00 -1.52 0.00 0.00 31.29 31.96 3fbd h VAL 555 CO 1.02 0.23 0.04 -1.22 0.02 0.00 0.00 177.57 177.67 3fbd n TYR 556 N -4.65 1.38 -2.94 1.57 4.01 -1.26 -4.89 117.16 110.38 3fbd n TYR 556 Ca -0.01 -1.51 -0.44 0.00 -0.16 0.00 0.00 57.90 55.78 3fbd n TYR 556 Cb 0.17 -0.53 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 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 -2.22 6.71 0.00 7.72 3.68 -1.19 -1.70 116.67 129.66 3fbd s ASP 557 Ca 0.46 -2.23 0.00 0.00 2.13 0.00 0.00 52.55 52.92 3fbd s ASP 557 Cb 0.41 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 39.48 3fbd s ASP 557 CO 0.03 -0.99 0.60 0.23 0.13 0.00 0.00 175.17 175.16 3fbd n MET 558 N 6.32 0.00 0.00 4.34 2.81 0.30 0.26 117.12 131.15 3fbd n MET 558 Ca 0.26 0.16 0.11 0.00 -1.81 0.00 0.00 57.70 56.42 3fbd n MET 558 Cb 0.48 -1.74 0.13 0.00 -0.71 0.00 0.00 33.22 31.37 3fbd n MET 558 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fbd n ASP 559 N -1.10 1.04 -0.12 7.83 8.00 -1.26 -3.65 116.55 127.29 3fbd n ASP 559 Ca 0.00 -0.83 0.06 0.00 0.71 0.00 0.00 54.79 54.72 3fbd n ASP 559 Cb 0.24 0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.78 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 -1.04 0.92 -4.86 -2.24 4.05 0.72 -4.97 115.26 107.83 3fbd n ASN 560 Ca 0.07 -0.96 -0.36 0.00 0.45 0.00 0.00 54.58 53.78 3fbd n ASN 560 Cb 0.36 0.78 -0.06 0.00 1.23 0.00 0.00 39.78 42.09 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 -1.91 5.13 0.07 -1.44 -1.09 -0.99 0.16 121.20 121.13 3fbd s ILE 561 Ca 0.07 0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 58.91 3fbd s ILE 561 Cb 0.10 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3fbd s ILE 561 CO 0.42 0.42 0.26 -0.44 -1.23 0.00 0.00 174.94 174.38 3fbd s SER 562 N -1.46 -0.03 -0.20 3.58 0.01 -0.95 -4.10 113.70 110.56 3fbd s SER 562 Ca 0.28 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 3fbd s SER 562 Cb -0.15 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 3fbd s SER 562 CO 0.15 -0.69 0.03 -0.69 0.41 0.00 0.00 173.24 172.44 3fbd s VAL 563 N -3.28 4.26 0.38 3.43 1.01 0.16 -0.32 120.40 126.03 3fbd s VAL 563 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3fbd s VAL 563 Cb 0.02 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3fbd s VAL 563 CO -0.08 0.43 0.15 0.68 0.00 0.00 0.00 175.10 176.28 3fbd s VAL 564 N 0.82 0.52 -0.01 2.92 -7.23 0.21 -1.03 120.40 116.60 3fbd s VAL 564 Ca 0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3fbd s VAL 564 Cb -0.14 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3fbd s VAL 564 CO 0.02 0.00 0.11 0.42 -0.31 0.00 0.00 175.10 175.34 3fbd s THR 565 N -3.31 4.95 0.19 5.32 -4.23 -1.05 -0.53 115.64 116.99 3fbd s THR 565 Ca 0.28 -0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 3fbd s THR 565 Cb 0.03 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 70.76 3fbd s THR 565 CO 0.16 0.34 1.64 -0.65 -0.54 0.00 0.00 174.62 175.57 3fbd h PRO 566 N 4.01 -0.03 -0.51 3.99 0.11 -1.78 0.42 132.00 138.21 3fbd h PRO 566 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3fbd h PRO 566 Cb 1.18 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 3fbd h PRO 566 CO 0.64 -0.02 -0.34 -0.22 -0.21 0.00 0.00 178.00 177.85 3fbd h LYS 567 N -0.04 -0.20 -0.44 1.05 3.64 -1.66 -1.11 116.57 117.81 3fbd h LYS 567 Ca 0.25 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 3fbd h LYS 567 Cb 0.42 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3fbd h LYS 567 CO -0.56 -0.13 -0.16 -0.09 -2.27 0.00 0.00 179.45 176.23 3fbd h ARG 568 N -0.20 0.88 -0.95 1.90 9.65 -1.55 -3.02 114.38 121.09 3fbd h ARG 568 Ca 0.20 -0.37 0.20 0.00 -1.10 0.00 0.00 59.98 58.91 3fbd h ARG 568 Cb 0.55 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.01 3fbd h ARG 568 CO -0.62 1.01 0.61 1.25 2.80 0.00 0.00 179.97 185.02 3fbd h HIS 569 N 0.71 0.74 -0.17 2.20 2.76 0.98 -1.59 115.15 120.79 3fbd h HIS 569 Ca 0.10 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3fbd h HIS 569 Cb 0.72 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 3fbd h HIS 569 CO 0.05 0.19 -0.23 0.82 -1.30 0.00 0.00 177.93 177.46 3fbd h ILE 570 N 0.55 1.35 0.00 6.26 2.04 -1.18 -2.85 117.51 123.68 3fbd h ILE 570 Ca 0.51 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 3fbd h ILE 570 Cb 1.06 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3fbd h ILE 570 CO -0.25 0.43 -0.01 0.44 0.00 0.00 0.00 178.15 178.76 3fbd h ASP 571 N 0.10 0.00 -0.36 1.72 5.19 -1.26 -1.59 116.42 120.22 3fbd h ASP 571 Ca 0.02 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.29 3fbd h ASP 571 Cb 0.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3fbd h ASP 571 CO 0.05 0.01 -0.31 0.40 -3.12 0.00 0.00 179.24 176.28 3fbd h ILE 572 N 0.00 1.28 0.00 0.35 2.04 -1.19 -2.87 117.51 117.11 3fbd h ILE 572 Ca -0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3fbd h ILE 572 Cb 0.05 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3fbd h ILE 572 CO 0.00 0.49 0.00 1.41 0.00 0.00 0.00 178.15 180.05 3fbd n HIS 573 N -4.16 0.00 -2.52 1.37 8.25 -0.60 -3.05 115.22 114.51 3fbd n HIS 573 Ca -0.02 -0.51 -0.02 0.00 -0.26 0.00 0.00 57.72 56.91 3fbd n HIS 573 Cb 0.49 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.41 3fbd n HIS 573 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3fbd n ARG 574 N 0.64 0.77 0.00 -0.41 1.85 -1.17 -5.04 116.66 113.30 3fbd n ARG 574 Ca 0.00 -0.75 0.00 0.00 -1.00 0.00 0.00 57.85 56.10 3fbd n ARG 574 Cb 0.46 0.30 0.00 0.00 -1.05 0.00 0.00 32.46 32.17 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 -0.88 0.00 0.00 2.89 0.00 -1.17 -5.02 105.19 101.01 3fbd n GLY 575 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 3fbd n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60