#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggq n ARG 460 N 0.00 0.00 -1.00 1.43 3.00 -1.26 -4.60 116.66 114.23 3ggq n ARG 460 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 3ggq n ARG 460 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.67 3ggq n ARG 460 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ggq s PRO 461 N 0.00 -0.26 0.27 5.56 0.04 -1.26 -4.87 135.00 134.47 3ggq s PRO 461 Ca 0.00 0.47 -0.00 0.00 0.04 0.00 0.00 61.00 61.50 3ggq s PRO 461 Cb 0.00 -1.66 0.53 0.00 0.04 0.00 0.00 34.50 33.41 3ggq s PRO 461 CO 0.00 -3.19 1.81 0.35 0.04 0.00 0.00 177.00 176.01 3ggq h PHE 462 N -2.22 0.99 0.00 0.56 3.57 -1.88 -1.83 116.94 116.13 3ggq h PHE 462 Ca -0.55 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3ggq h PHE 462 Cb 1.33 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3ggq h PHE 462 CO -0.13 0.35 0.13 0.77 -2.23 0.00 0.00 178.31 177.21 3ggq h SER 463 N 0.85 0.00 -2.95 0.41 0.02 -1.94 -3.35 113.55 106.59 3ggq h SER 463 Ca 0.47 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.71 3ggq h SER 463 Cb 0.53 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.87 3ggq h SER 463 CO -0.29 0.00 0.27 -0.69 -1.14 0.00 0.00 176.83 174.98 3ggq s VAL 464 N -3.87 4.92 0.05 2.27 1.01 -0.69 -1.74 120.40 122.34 3ggq s VAL 464 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.62 3ggq s VAL 464 Cb 0.09 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3ggq s VAL 464 CO 0.28 -1.20 0.17 -0.76 0.00 0.00 0.00 175.10 173.59 3ggq s LEU 465 N 2.32 4.19 0.04 3.92 1.43 -0.33 -4.22 118.68 126.03 3ggq s LEU 465 Ca 0.17 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3ggq s LEU 465 Cb -0.18 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3ggq s LEU 465 CO 0.01 0.19 -0.03 -0.13 0.23 0.00 0.00 176.35 176.61 3ggq s ARG 466 N -2.37 0.54 0.57 1.70 0.52 -1.26 -0.07 118.95 118.57 3ggq s ARG 466 Ca 0.32 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3ggq s ARG 466 Cb -0.13 0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 3ggq s ARG 466 CO 0.25 -0.09 1.05 0.00 0.02 0.00 0.00 175.30 176.53 3ggq n ALA 467 N 0.54 0.46 -0.70 2.13 0.00 -1.26 -1.87 120.51 119.81 3ggq n ALA 467 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ggq n ALA 467 Cb 0.59 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3ggq n ALA 467 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ggq n ASN 468 N -0.69 0.00 -4.76 0.00 3.02 0.51 -4.98 115.26 108.35 3ggq n ASN 468 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 3ggq n ASN 468 Cb 0.46 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 3ggq n ASN 468 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ggq s ASP 469 N -3.14 5.86 -0.31 6.41 1.01 -0.78 -4.76 116.67 120.95 3ggq s ASP 469 Ca 0.00 2.44 -0.05 0.00 0.71 0.00 0.00 52.55 55.65 3ggq s ASP 469 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 3ggq s ASP 469 CO 0.00 -1.14 0.06 -0.69 0.21 0.00 0.00 175.17 173.61 3ggq s VAL 470 N -1.48 3.58 -0.14 -1.27 1.01 -1.26 -1.70 120.40 119.13 3ggq s VAL 470 Ca 0.67 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3ggq s VAL 470 Cb -0.32 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3ggq s VAL 470 CO 0.38 -0.08 0.22 -0.76 0.00 0.00 0.00 175.10 174.86 3ggq s LEU 471 N 1.39 4.30 -0.29 3.92 1.43 0.11 -1.40 118.68 128.12 3ggq s LEU 471 Ca -0.01 0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 3ggq s LEU 471 Cb -0.19 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3ggq s LEU 471 CO 0.01 0.23 0.17 0.86 0.23 0.00 0.00 176.35 177.85 3ggq s TRP 472 N -0.13 3.18 -0.10 0.29 -0.00 0.10 -0.50 118.94 121.79 3ggq s TRP 472 Ca 0.14 -0.22 -0.01 0.00 -0.00 0.00 0.00 56.10 56.02 3ggq s TRP 472 Cb -0.13 -2.36 -0.03 0.00 -0.00 0.00 0.00 33.47 30.95 3ggq s TRP 472 CO 0.03 -0.31 -0.04 -0.51 -0.00 0.00 0.00 176.95 176.12 3ggq s LEU 473 N 1.69 3.30 -0.38 5.86 1.43 0.22 -0.98 118.68 129.81 3ggq s LEU 473 Ca 0.06 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3ggq s LEU 473 Cb -0.16 -1.75 0.11 0.00 0.03 0.00 0.00 46.19 44.41 3ggq s LEU 473 CO 0.08 0.31 0.11 -0.44 0.23 0.00 0.00 176.35 176.65 3ggq s SER 474 N -0.50 4.83 -0.75 2.29 0.01 -0.46 -1.00 113.70 118.12 3ggq s SER 474 Ca 0.08 -2.25 -0.17 0.00 1.31 0.00 0.00 55.95 54.93 3ggq s SER 474 Cb -0.12 -1.68 0.16 0.00 0.21 0.00 0.00 66.02 64.59 3ggq s SER 474 CO 0.02 -0.40 0.79 -0.76 0.41 0.00 0.00 173.24 173.31 3ggq s LEU 475 N 0.79 5.97 0.18 2.44 1.02 0.39 -2.52 118.68 126.96 3ggq s LEU 475 Ca 0.11 -2.11 -0.30 0.00 0.02 0.00 0.00 54.13 51.85 3ggq s LEU 475 Cb -0.21 -2.27 -0.08 0.00 0.02 0.00 0.00 46.19 43.66 3ggq s LEU 475 CO -0.06 -0.86 1.06 -0.89 0.02 0.00 0.00 176.35 175.62 3ggq s THR 476 N 1.54 3.97 -1.43 5.49 2.01 -0.82 -0.12 115.64 126.27 3ggq s THR 476 Ca 0.17 1.73 -0.03 0.00 0.31 0.00 0.00 61.69 63.88 3ggq s THR 476 Cb -0.15 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.28 3ggq s THR 476 CO -0.04 0.31 0.52 0.00 -0.69 0.00 0.00 174.62 174.73 3ggq n ALA 477 N 2.27 -1.89 -1.47 7.40 0.00 -1.26 -4.33 120.51 121.23 3ggq n ALA 477 Ca 0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 3ggq n ALA 477 Cb 0.47 -1.93 0.05 0.00 0.00 0.00 0.00 19.45 18.04 3ggq n ALA 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ggq s ALA 478 N -3.81 2.47 0.05 0.00 0.00 -1.19 -4.81 121.76 114.47 3ggq s ALA 478 Ca 0.12 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.53 3ggq s ALA 478 Cb -0.07 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3ggq s ALA 478 CO 0.88 -1.34 -0.13 -1.21 0.00 0.00 0.00 175.76 173.96 3ggq s GLU 479 N -4.40 0.81 0.23 0.00 2.02 0.31 -2.99 118.70 114.69 3ggq s GLU 479 Ca 0.64 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 3ggq s GLU 479 Cb -0.18 -0.80 -0.09 0.00 0.10 0.00 0.00 34.13 33.16 3ggq s GLU 479 CO 0.46 0.18 1.10 -0.47 0.02 0.00 0.00 175.26 176.55 3ggq s TYR 480 N -1.11 3.60 -0.12 1.61 5.04 -0.36 -1.01 117.35 125.01 3ggq s TYR 480 Ca -0.02 1.65 -0.05 0.00 -2.44 0.00 0.00 57.07 56.22 3ggq s TYR 480 Cb -0.09 -3.27 0.06 0.00 0.35 0.00 0.00 41.96 39.01 3ggq s TYR 480 CO 0.02 -0.55 0.25 0.34 -1.34 0.00 0.00 175.55 174.27 3ggq s ASP 481 N -0.49 0.16 -0.14 4.32 -1.08 0.01 -4.95 116.67 114.49 3ggq s ASP 481 Ca 0.47 0.56 0.19 0.00 -0.52 0.00 0.00 52.55 53.24 3ggq s ASP 481 Cb -0.30 0.57 0.44 0.00 -1.46 0.00 0.00 42.92 42.17 3ggq s ASP 481 CO 0.37 -0.21 1.18 0.00 0.52 0.00 0.00 175.17 177.03 3ggq n GLN 482 N 4.95 1.14 0.00 4.34 10.64 -1.26 -1.59 117.38 135.60 3ggq n GLN 482 Ca -0.13 -2.87 0.00 0.00 -1.83 0.00 0.00 57.00 52.17 3ggq n GLN 482 Cb 0.51 -0.99 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 3ggq n GLN 482 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3ggq n SER 483 N -0.30 0.00 -0.01 2.61 3.41 -0.96 -3.15 113.62 115.22 3ggq n SER 483 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.74 3ggq n SER 483 Cb 0.93 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 3ggq n SER 483 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ggq n THR 484 N -1.14 0.29 0.59 6.66 -1.04 -1.26 -4.70 114.28 113.69 3ggq n THR 484 Ca 0.00 0.39 0.12 0.00 -2.04 0.00 0.00 64.05 62.52 3ggq n THR 484 Cb 0.00 -1.60 0.23 0.00 -1.82 0.00 0.00 70.33 67.14 3ggq n THR 484 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ggq n TYR 485 N -2.87 0.65 -4.07 -1.42 4.01 -1.26 -4.90 117.16 107.30 3ggq n TYR 485 Ca -0.02 0.19 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 3ggq n TYR 485 Cb 0.09 -0.73 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 3ggq n TYR 485 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ggq n GLY 486 N 1.33 3.98 3.56 2.72 0.00 -1.25 -4.86 105.19 110.68 3ggq n GLY 486 Ca 0.04 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3ggq n GLY 486 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ggq s SER 487 N -1.35 0.60 0.38 1.61 1.04 0.11 -2.25 113.70 113.83 3ggq s SER 487 Ca 0.03 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.19 3ggq s SER 487 Cb 0.00 0.69 0.80 0.00 0.10 0.00 0.00 66.02 67.61 3ggq s SER 487 CO 0.02 -1.35 1.97 0.28 0.98 0.00 0.00 173.24 175.14 3ggq h SER 488 N 2.11 0.60 -0.52 7.02 0.02 -1.93 -1.42 113.55 119.43 3ggq h SER 488 Ca -0.29 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 3ggq h SER 488 Cb 1.24 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 63.56 3ggq h SER 488 CO 0.39 0.38 0.13 0.35 -1.14 0.00 0.00 176.83 176.94 3ggq n THR 489 N -4.48 2.67 -2.66 -2.27 -2.24 -1.26 -4.69 114.28 99.35 3ggq n THR 489 Ca 0.10 -2.01 -0.04 0.00 -2.27 0.00 0.00 64.05 59.83 3ggq n THR 489 Cb 0.25 -0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.23 3ggq n THR 489 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ggq n GLY 490 N -0.57 -1.86 3.82 3.38 0.00 -0.58 -5.07 105.19 104.31 3ggq n GLY 490 Ca 0.34 1.05 -0.31 0.00 0.00 0.00 0.00 46.02 47.11 3ggq n GLY 490 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ggq s PRO 491 N 0.07 2.96 0.19 1.61 0.02 -0.91 -0.71 135.00 138.23 3ggq s PRO 491 Ca 0.26 0.97 -0.07 0.00 0.02 0.00 0.00 61.00 62.18 3ggq s PRO 491 Cb 0.20 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 3ggq s PRO 491 CO -0.07 -1.08 0.26 0.14 -0.33 0.00 0.00 177.00 175.92 3ggq s VAL 492 N -3.00 0.03 -0.14 3.83 -7.23 -0.62 -1.79 120.40 111.48 3ggq s VAL 492 Ca 0.58 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3ggq s VAL 492 Cb -0.14 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 3ggq s VAL 492 CO 0.54 -0.16 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.80 3ggq s TYR 493 N -4.04 2.98 0.02 2.82 2.02 -0.17 -0.81 117.35 120.17 3ggq s TYR 493 Ca 0.26 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 3ggq s TYR 493 Cb 0.04 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 3ggq s TYR 493 CO 0.06 -0.01 -0.12 0.54 -1.57 0.00 0.00 175.55 174.45 3ggq s VAL 494 N 0.19 0.93 0.01 0.71 0.11 -0.18 -1.32 120.40 120.84 3ggq s VAL 494 Ca -0.03 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3ggq s VAL 494 Cb -0.14 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3ggq s VAL 494 CO 0.03 0.04 0.03 -0.55 -3.33 0.00 0.00 175.10 171.32 3ggq s SER 495 N -0.87 0.12 0.00 3.54 0.15 -0.89 -0.53 113.70 115.23 3ggq s SER 495 Ca 0.01 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.51 3ggq s SER 495 Cb -0.07 0.13 0.36 0.00 -1.71 0.00 0.00 66.02 64.73 3ggq s SER 495 CO 0.01 -0.26 1.28 -0.90 1.20 0.00 0.00 173.24 174.57 3ggq n ASP 496 N 1.88 3.06 -3.54 5.45 5.68 -1.26 -1.34 116.55 126.48 3ggq n ASP 496 Ca -0.21 -1.95 -0.27 0.00 -0.50 0.00 0.00 54.79 51.86 3ggq n ASP 496 Cb 0.56 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 3ggq n ASP 496 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ggq n SER 497 N 0.80 2.80 -4.26 -1.12 7.64 -1.26 -4.82 113.62 113.41 3ggq n SER 497 Ca 0.14 -3.21 -0.32 0.00 1.01 0.00 0.00 58.87 56.49 3ggq n SER 497 Cb 0.46 -0.69 -0.16 0.00 -1.01 0.00 0.00 64.21 62.81 3ggq n SER 497 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ggq s VAL 498 N -1.83 2.30 -0.01 0.44 1.01 -1.26 -1.95 120.40 119.10 3ggq s VAL 498 Ca 0.34 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3ggq s VAL 498 Cb 0.08 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3ggq s VAL 498 CO -0.09 0.55 -0.16 0.42 0.00 0.00 0.00 175.10 175.82 3ggq s THR 499 N 0.29 2.91 0.06 3.92 -4.23 -1.05 -1.46 115.64 116.09 3ggq s THR 499 Ca -0.16 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 3ggq s THR 499 Cb -0.17 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 3ggq s THR 499 CO 0.08 0.50 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.71 3ggq s LEU 500 N -0.99 2.20 -0.02 4.79 1.02 0.28 -1.35 118.68 124.61 3ggq s LEU 500 Ca 0.13 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.75 3ggq s LEU 500 Cb -0.11 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.27 3ggq s LEU 500 CO 0.02 0.10 -0.04 -0.69 0.02 0.00 0.00 176.35 175.76 3ggq s VAL 501 N -0.91 0.45 -0.60 -1.59 1.01 -0.16 -1.10 120.40 117.51 3ggq s VAL 501 Ca 0.05 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 3ggq s VAL 501 Cb -0.09 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.90 3ggq s VAL 501 CO 0.02 0.17 0.96 0.21 0.00 0.00 0.00 175.10 176.47 3ggq s ASN 502 N 0.48 6.26 0.18 3.32 3.84 0.11 0.02 114.94 129.14 3ggq s ASN 502 Ca -0.06 -0.62 -0.22 0.00 0.21 0.00 0.00 52.86 52.18 3ggq s ASN 502 Cb -0.09 -2.43 0.09 0.00 -0.55 0.00 0.00 41.25 38.27 3ggq s ASN 502 CO -0.00 -1.34 1.59 0.58 -2.79 0.00 0.00 177.10 175.14 3ggq h VAL 503 N 6.00 0.20 -0.73 -5.21 2.07 -1.53 0.58 116.25 117.62 3ggq h VAL 503 Ca -0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3ggq h VAL 503 Cb 1.07 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3ggq h VAL 503 CO 1.13 0.00 0.25 0.00 0.02 0.00 0.00 177.57 178.97 3ggq h ALA 504 N 0.89 1.05 0.00 1.67 0.00 -1.92 -3.20 119.26 117.74 3ggq h ALA 504 Ca 0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ggq h ALA 504 Cb 0.54 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ggq h ALA 504 CO -0.61 0.65 -1.26 0.25 0.00 0.00 0.00 179.25 178.27 3ggq n THR 505 N -4.26 0.93 -0.10 0.00 -2.24 -1.01 -4.96 114.28 102.65 3ggq n THR 505 Ca 0.06 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3ggq n THR 505 Cb 0.21 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3ggq n THR 505 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ggq n GLY 506 N 1.31 1.92 3.77 3.38 0.00 0.20 -5.02 105.19 110.74 3ggq n GLY 506 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3ggq n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggq s ALA 507 N -2.79 3.21 0.22 4.61 0.00 -1.23 -4.74 121.76 121.03 3ggq s ALA 507 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3ggq s ALA 507 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3ggq s ALA 507 CO 0.00 -0.68 0.15 1.14 0.00 0.00 0.00 175.76 176.37 3ggq s GLN 508 N -2.25 1.30 0.10 0.00 -2.07 -1.26 0.07 119.66 115.55 3ggq s GLN 508 Ca 0.57 -1.70 -0.26 0.00 -1.82 0.00 0.00 55.36 52.15 3ggq s GLN 508 Cb -0.35 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 31.91 3ggq s GLN 508 CO 0.44 -0.43 0.85 0.00 -1.32 0.00 0.00 175.29 174.83 3ggq s ALA 509 N -4.02 -1.68 -0.19 2.60 0.00 -0.26 -4.75 121.76 113.46 3ggq s ALA 509 Ca 0.39 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 3ggq s ALA 509 Cb 0.06 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3ggq s ALA 509 CO 0.15 -0.85 -0.03 0.08 0.00 0.00 0.00 175.76 175.11 3ggq s VAL 510 N -3.35 3.76 0.21 0.00 1.01 -1.26 -0.55 120.40 120.22 3ggq s VAL 510 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3ggq s VAL 510 Cb -0.02 -2.68 0.15 0.00 0.00 0.00 0.00 36.38 33.84 3ggq s VAL 510 CO -0.05 0.45 1.78 0.00 0.00 0.00 0.00 175.10 177.29 3ggq h ALA 511 N 7.36 0.90 -0.13 5.51 0.00 -1.59 -0.43 119.26 130.88 3ggq h ALA 511 Ca -0.35 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ggq h ALA 511 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3ggq h ALA 511 CO 0.61 -0.04 0.12 -0.09 0.00 0.00 0.00 179.25 179.85 3ggq h ARG 512 N 0.60 0.00 -0.01 0.00 2.43 -1.79 -2.88 114.38 112.72 3ggq h ARG 512 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3ggq h ARG 512 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ggq h ARG 512 CO -0.24 0.00 -0.06 -1.13 -1.51 0.00 0.00 179.97 177.04 3ggq n SER 513 N -4.03 1.35 -4.74 -3.80 3.41 -0.68 -4.73 113.62 100.41 3ggq n SER 513 Ca 0.00 -1.17 -0.41 0.00 -0.26 0.00 0.00 58.87 57.03 3ggq n SER 513 Cb 0.24 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3ggq n SER 513 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ggq s LEU 514 N -0.92 4.52 -0.96 1.04 2.96 -0.26 -4.95 118.68 120.12 3ggq s LEU 514 Ca 0.07 1.92 -0.24 0.00 -0.22 0.00 0.00 54.13 55.66 3ggq s LEU 514 Cb 0.06 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.19 3ggq s LEU 514 CO 0.12 -0.08 1.44 -0.62 -1.32 0.00 0.00 176.35 175.89 3ggq s ASP 515 N -0.22 6.37 0.61 3.68 -1.08 -1.26 -4.82 116.67 119.94 3ggq s ASP 515 Ca 0.47 -1.20 0.40 0.00 -0.52 0.00 0.00 52.55 51.70 3ggq s ASP 515 Cb -0.26 -2.57 2.05 0.00 -1.46 0.00 0.00 42.92 40.69 3ggq s ASP 515 CO 0.32 -1.63 2.22 -0.50 0.52 0.00 0.00 175.17 176.10 3ggq h TRP 516 N 9.96 0.00 0.00 -5.34 4.06 -1.92 -2.22 115.95 120.48 3ggq h TRP 516 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3ggq h TRP 516 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3ggq h TRP 516 CO 1.25 0.00 0.00 1.79 -3.56 0.00 0.00 178.44 177.92 3ggq h THR 517 N 0.00 0.00 -0.01 1.49 1.35 -2.02 -2.84 112.91 110.88 3ggq h THR 517 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3ggq h THR 517 Cb 0.16 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3ggq h THR 517 CO 0.00 0.00 -0.63 0.29 -0.25 0.00 0.00 175.52 174.93 3ggq n LYS 518 N -3.01 0.56 -2.29 4.72 5.02 -0.84 -4.93 118.16 117.39 3ggq n LYS 518 Ca 0.02 -0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 55.48 3ggq n LYS 518 Cb 0.38 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3ggq n LYS 518 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ggq s VAL 519 N -2.74 3.12 0.05 -0.18 1.01 -1.07 -4.92 120.40 115.67 3ggq s VAL 519 Ca 0.15 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.22 3ggq s VAL 519 Cb 0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3ggq s VAL 519 CO 0.69 0.20 -0.11 0.42 0.00 0.00 0.00 175.10 176.30 3ggq s THR 520 N -1.25 0.79 -0.28 3.92 -4.23 -0.71 -4.02 115.64 109.86 3ggq s THR 520 Ca 0.51 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 3ggq s THR 520 Cb -0.34 -0.81 0.07 0.00 1.34 0.00 0.00 72.50 72.76 3ggq s THR 520 CO 0.44 -0.30 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.93 3ggq s LEU 521 N -1.63 3.73 -1.17 4.79 2.96 0.13 -1.18 118.68 126.31 3ggq s LEU 521 Ca -0.06 -1.58 -0.07 0.00 -0.22 0.00 0.00 54.13 52.20 3ggq s LEU 521 Cb -0.10 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3ggq s LEU 521 CO 0.01 -0.24 1.02 0.47 -1.32 0.00 0.00 176.35 176.29 3ggq n ASP 522 N 4.40 -5.32 0.00 3.68 8.00 0.90 -2.42 116.55 125.79 3ggq n ASP 522 Ca -0.09 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3ggq n ASP 522 Cb 0.42 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 3ggq n ASP 522 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ggq n GLY 523 N -1.73 2.01 3.68 0.44 0.00 -1.26 -5.02 105.19 103.31 3ggq n GLY 523 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3ggq n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggq s ARG 524 N -0.02 2.56 0.82 1.61 0.52 -1.02 -4.99 118.95 118.43 3ggq s ARG 524 Ca 0.00 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 3ggq s ARG 524 Cb 0.00 -2.55 0.09 0.00 0.52 0.00 0.00 34.95 33.01 3ggq s ARG 524 CO 0.00 0.55 1.16 -2.14 0.02 0.00 0.00 175.30 174.89 3ggq s PRO 525 N -2.17 1.65 0.32 3.54 0.02 -1.26 0.22 135.00 137.31 3ggq s PRO 525 Ca 0.24 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 3ggq s PRO 525 Cb -0.12 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.51 3ggq s PRO 525 CO 0.17 -2.16 1.14 -0.51 -0.33 0.00 0.00 177.00 175.31 3ggq s LEU 526 N -5.94 4.43 0.72 -5.54 1.43 -1.26 -4.69 118.68 107.84 3ggq s LEU 526 Ca 0.69 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 56.00 3ggq s LEU 526 Cb -0.24 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.26 3ggq s LEU 526 CO 0.53 -0.33 1.09 -0.44 0.23 0.00 0.00 176.35 177.43 3ggq s SER 527 N -0.92 4.83 0.19 2.29 0.01 -1.26 -4.84 113.70 114.01 3ggq s SER 527 Ca 0.49 1.85 0.01 0.00 1.31 0.00 0.00 55.95 59.60 3ggq s SER 527 Cb -0.32 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 3ggq s SER 527 CO 0.41 -1.82 0.04 0.42 0.41 0.00 0.00 173.24 172.71 3ggq s THR 528 N -2.75 0.53 0.28 1.44 -4.23 -1.26 -0.41 115.64 109.25 3ggq s THR 528 Ca 0.62 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3ggq s THR 528 Cb -0.18 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 3ggq s THR 528 CO 0.51 -0.31 0.32 0.27 -0.54 0.00 0.00 174.62 174.87 3ggq s ILE 529 N -3.76 0.00 -0.06 2.99 -4.36 -0.08 -4.92 121.20 111.01 3ggq s ILE 529 Ca 0.29 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3ggq s ILE 529 Cb 0.07 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3ggq s ILE 529 CO 0.07 0.00 -0.05 -1.58 0.24 0.00 0.00 174.94 173.61 3ggq s GLN 530 N -3.65 1.01 -0.03 0.37 0.74 -1.26 -0.84 119.66 116.00 3ggq s GLN 530 Ca 0.34 -0.14 -0.00 0.00 0.05 0.00 0.00 55.36 55.61 3ggq s GLN 530 Cb 0.03 -1.03 0.03 0.00 1.10 0.00 0.00 33.01 33.14 3ggq s GLN 530 CO 0.18 -0.11 0.01 -0.65 -0.55 0.00 0.00 175.29 174.17 3ggq s GLN 531 N 1.10 0.23 -1.33 1.67 -0.21 -0.36 -4.88 119.66 115.88 3ggq s GLN 531 Ca -0.08 0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 3ggq s GLN 531 Cb -0.14 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.37 3ggq s GLN 531 CO -0.01 -0.19 0.66 0.72 -2.12 0.00 0.00 175.29 174.35 3ggq n HIS 532 N 4.43 -1.88 -1.62 0.91 8.25 -1.26 -1.11 115.22 122.94 3ggq n HIS 532 Ca -0.21 0.83 -0.20 0.00 -0.26 0.00 0.00 57.72 57.87 3ggq n HIS 532 Cb 0.50 -4.26 -0.08 0.00 1.12 0.00 0.00 29.99 27.27 3ggq n HIS 532 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ggq n SER 533 N -3.04 -5.37 -4.29 0.41 7.64 -1.26 -4.96 113.62 102.75 3ggq n SER 533 Ca -0.29 0.48 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 3ggq n SER 533 Cb 0.67 -4.74 -0.16 0.00 -1.01 0.00 0.00 64.21 58.97 3ggq n SER 533 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ggq s LYS 534 N -3.78 2.32 0.03 1.43 1.02 -0.27 -5.12 119.74 115.37 3ggq s LYS 534 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 3ggq s LYS 534 Cb 0.00 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 3ggq s LYS 534 CO 0.00 0.47 0.50 0.99 -0.92 0.00 0.00 175.35 176.39 3ggq s THR 535 N -0.39 4.89 -0.05 2.17 2.01 -1.26 -1.22 115.64 121.79 3ggq s THR 535 Ca 0.03 1.06 0.02 0.00 0.31 0.00 0.00 61.69 63.11 3ggq s THR 535 Cb -0.12 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.58 3ggq s THR 535 CO 0.01 0.54 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.02 3ggq s PHE 536 N -0.95 1.27 0.21 4.92 0.08 -0.02 -0.88 117.98 122.61 3ggq s PHE 536 Ca 0.27 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 3ggq s PHE 536 Cb -0.18 -0.93 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 3ggq s PHE 536 CO 0.16 -0.20 0.89 -0.06 -0.10 0.00 0.00 175.22 175.91 3ggq s PHE 537 N 0.49 3.95 -0.14 0.36 0.08 0.30 -0.91 117.98 122.11 3ggq s PHE 537 Ca -0.10 1.82 -0.01 0.00 0.12 0.00 0.00 56.93 58.76 3ggq s PHE 537 Cb -0.13 -2.93 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 3ggq s PHE 537 CO 0.02 0.45 -0.10 0.08 -0.10 0.00 0.00 175.22 175.58 3ggq s VAL 538 N -1.05 3.35 -0.40 -0.44 1.01 0.46 -1.73 120.40 121.59 3ggq s VAL 538 Ca 0.40 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3ggq s VAL 538 Cb -0.25 -2.43 0.11 0.00 0.00 0.00 0.00 36.38 33.81 3ggq s VAL 538 CO 0.30 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 175.28 3ggq s LEU 539 N 0.34 4.65 0.39 3.92 1.43 -0.76 -4.20 118.68 124.45 3ggq s LEU 539 Ca -0.08 -2.42 -0.27 0.00 -1.03 0.00 0.00 54.13 50.33 3ggq s LEU 539 Cb -0.15 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 3ggq s LEU 539 CO 0.05 -0.34 1.35 -2.84 0.23 0.00 0.00 176.35 174.80 3ggq s PRO 540 N 0.54 4.03 0.48 1.29 0.02 -1.26 -1.97 135.00 138.13 3ggq s PRO 540 Ca 0.13 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.45 3ggq s PRO 540 Cb -0.21 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3ggq s PRO 540 CO -0.05 -0.48 0.03 -0.51 -0.33 0.00 0.00 177.00 175.65 3ggq s LEU 541 N -2.28 2.31 -0.14 -5.54 1.43 -0.88 -1.03 118.68 112.55 3ggq s LEU 541 Ca 0.55 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 3ggq s LEU 541 Cb -0.41 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 3ggq s LEU 541 CO 0.53 -0.81 -0.16 -0.13 0.23 0.00 0.00 176.35 176.01 3ggq s ARG 542 N -3.83 3.24 0.22 1.70 0.52 -0.22 -4.49 118.95 116.09 3ggq s ARG 542 Ca 0.13 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3ggq s ARG 542 Cb 0.03 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3ggq s ARG 542 CO 0.07 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3ggq n GLY 543 N 3.84 -2.17 3.78 -3.53 0.00 -1.26 -4.58 105.19 101.27 3ggq n GLY 543 Ca -0.19 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 3ggq n GLY 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ggq s LYS 544 N -1.02 4.55 0.08 1.61 -0.14 -1.26 -1.49 119.74 122.07 3ggq s LYS 544 Ca 0.00 1.24 -0.31 0.00 -1.36 0.00 0.00 55.97 55.54 3ggq s LYS 544 Cb 0.00 -2.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.15 3ggq s LYS 544 CO 0.00 0.36 1.51 -1.17 -0.76 0.00 0.00 175.35 175.29 3ggq s LEU 545 N -1.83 4.36 -0.26 3.17 2.96 -1.26 -4.91 118.68 120.91 3ggq s LEU 545 Ca 0.46 2.38 -0.23 0.00 -0.22 0.00 0.00 54.13 56.52 3ggq s LEU 545 Cb -0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 3ggq s LEU 545 CO 0.24 -0.77 0.76 -0.55 -1.32 0.00 0.00 176.35 174.72 3ggq s SER 546 N 1.70 6.73 0.04 3.68 0.15 -1.18 -4.86 113.70 119.96 3ggq s SER 546 Ca 0.68 0.87 -0.05 0.00 0.70 0.00 0.00 55.95 58.16 3ggq s SER 546 Cb -0.38 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 3ggq s SER 546 CO 0.30 -0.49 0.07 0.72 1.20 0.00 0.00 173.24 175.04 3ggq s PHE 547 N 2.77 0.26 0.16 3.44 -0.12 -1.26 -1.68 117.98 121.55 3ggq s PHE 547 Ca 0.32 -0.63 -0.24 0.00 -0.05 0.00 0.00 56.93 56.33 3ggq s PHE 547 Cb -0.15 -0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.12 3ggq s PHE 547 CO 0.09 -0.38 0.78 1.67 -0.05 0.00 0.00 175.22 177.33 3ggq s TRP 548 N -2.94 -0.30 -0.08 3.49 -2.14 -0.49 -1.49 118.94 114.99 3ggq s TRP 548 Ca -0.02 0.01 -0.30 0.00 2.66 0.00 0.00 56.10 58.45 3ggq s TRP 548 Cb 0.01 0.62 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 3ggq s TRP 548 CO -0.06 -0.89 1.42 -2.00 -2.66 0.00 0.00 176.95 172.75 3ggq s GLU 549 N -3.55 4.24 0.30 3.25 2.12 -0.61 -0.33 118.70 124.13 3ggq s GLU 549 Ca 0.07 1.91 -0.27 0.00 0.36 0.00 0.00 54.97 57.04 3ggq s GLU 549 Cb -0.02 -3.76 -0.14 0.00 0.26 0.00 0.00 34.13 30.47 3ggq s GLU 549 CO -0.03 -0.69 0.89 0.00 -0.54 0.00 0.00 175.26 174.89 3ggq n ALA 550 N 6.30 -0.72 -1.05 6.30 0.00 -0.67 -1.56 120.51 129.12 3ggq n ALA 550 Ca 0.14 0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 3ggq n ALA 550 Cb 0.44 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.94 3ggq n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ggq n GLY 551 N 1.39 0.49 2.26 0.00 0.00 -1.26 -4.99 105.19 103.08 3ggq n GLY 551 Ca 0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3ggq n GLY 551 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ggq n THR 552 N -2.75 0.00 -1.15 2.61 -2.24 -0.60 -5.03 114.28 105.12 3ggq n THR 552 Ca -0.02 -1.49 0.09 0.00 -2.27 0.00 0.00 64.05 60.37 3ggq n THR 552 Cb 0.16 0.80 0.14 0.00 -2.10 0.00 0.00 70.33 69.33 3ggq n THR 552 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ggq n THR 553 N -0.42 1.88 -2.77 4.28 -2.24 -1.26 -4.77 114.28 108.98 3ggq n THR 553 Ca 0.03 -2.33 -0.43 0.00 -2.27 0.00 0.00 64.05 59.06 3ggq n THR 553 Cb 0.41 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3ggq n THR 553 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ggq s LYS 554 N -2.85 3.42 0.24 -0.78 2.20 -1.26 -5.01 119.74 115.70 3ggq s LYS 554 Ca 0.32 -0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 3ggq s LYS 554 Cb 0.28 -4.02 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 3ggq s LYS 554 CO 0.02 -1.48 0.56 0.00 -0.36 0.00 0.00 175.35 174.09 3ggq s ALA 555 N 4.15 3.56 0.45 3.13 0.00 -1.26 -1.58 121.76 130.21 3ggq s ALA 555 Ca 0.35 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.10 3ggq s ALA 555 Cb -0.11 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3ggq s ALA 555 CO 0.22 0.47 0.46 0.20 0.00 0.00 0.00 175.76 177.12 3ggq s GLY 556 N -2.44 2.09 -0.04 0.00 0.00 -0.56 -4.87 107.32 101.50 3ggq s GLY 556 Ca 0.47 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 3ggq s GLY 556 CO 0.22 -1.68 0.25 -2.52 0.00 0.00 0.00 173.10 169.36 3ggq s TYR 557 N -2.50 -0.15 1.01 1.90 -0.85 -1.26 -4.63 117.35 110.86 3ggq s TYR 557 Ca 0.49 0.29 -0.13 0.00 -0.52 0.00 0.00 57.07 57.20 3ggq s TYR 557 Cb -0.05 0.06 0.19 0.00 0.38 0.00 0.00 41.96 42.54 3ggq s TYR 557 CO 0.29 -0.29 1.10 -1.25 -1.52 0.00 0.00 175.55 173.89 3ggq s PRO 558 N -0.90 0.37 0.08 -3.49 0.04 -1.26 -2.17 135.00 127.68 3ggq s PRO 558 Ca -0.10 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.10 3ggq s PRO 558 Cb -0.05 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.59 3ggq s PRO 558 CO 0.02 -2.74 1.71 -0.92 0.04 0.00 0.00 177.00 175.11 3ggq h TYR 559 N -1.90 -0.13 -1.28 0.56 3.20 -1.78 -3.01 116.97 112.64 3ggq h TYR 559 Ca -0.54 -0.00 -0.75 0.00 3.14 0.00 0.00 58.73 60.58 3ggq h TYR 559 Cb 1.33 0.04 -0.14 0.00 1.54 0.00 0.00 36.73 39.50 3ggq h TYR 559 CO 0.12 -0.07 2.24 0.09 -1.64 0.00 0.00 178.16 178.90 3ggq n ASN 560 N -5.14 6.89 0.05 -2.11 5.03 -1.26 -4.75 115.26 113.97 3ggq n ASN 560 Ca -0.08 -3.14 0.08 0.00 0.87 0.00 0.00 54.58 52.31 3ggq n ASN 560 Cb 0.09 -1.40 0.34 0.00 -1.02 0.00 0.00 39.78 37.78 3ggq n ASN 560 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ggq n TYR 561 N 2.52 0.27 -2.28 3.10 0.18 -1.14 -3.28 117.16 116.54 3ggq n TYR 561 Ca 0.53 0.11 -0.04 0.00 1.88 0.00 0.00 57.90 60.38 3ggq n TYR 561 Cb 0.29 -0.68 0.07 0.00 -0.38 0.00 0.00 39.34 38.64 3ggq n TYR 561 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3ggq n ASN 562 N -1.75 2.37 -4.45 9.48 6.94 -1.26 -4.99 115.26 121.60 3ggq n ASN 562 Ca 0.02 -2.88 -0.22 0.00 -0.02 0.00 0.00 54.58 51.48 3ggq n ASN 562 Cb 0.16 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.06 3ggq n ASN 562 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3ggq s THR 563 N -3.03 1.66 -2.02 5.53 -4.23 -1.21 -5.04 115.64 107.30 3ggq s THR 563 Ca 0.37 -2.11 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 3ggq s THR 563 Cb 0.37 -2.53 0.29 0.00 1.34 0.00 0.00 72.50 71.96 3ggq s THR 563 CO -0.05 -0.24 1.25 0.35 -0.54 0.00 0.00 174.62 175.39 3ggq n THR 564 N -0.63 0.39 -2.41 3.99 -2.24 -1.26 -4.90 114.28 107.22 3ggq n THR 564 Ca -0.05 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 3ggq n THR 564 Cb 0.64 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 3ggq n THR 564 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ggq s ALA 565 N -1.61 3.42 0.49 6.98 0.00 -1.26 -4.98 121.76 124.79 3ggq s ALA 565 Ca 0.21 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 3ggq s ALA 565 Cb 0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3ggq s ALA 565 CO 0.15 -0.29 0.91 -1.12 0.00 0.00 0.00 175.76 175.41 3ggq s SER 566 N -0.30 6.54 0.98 0.00 0.01 -1.26 -4.73 113.70 114.93 3ggq s SER 566 Ca 0.49 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 59.01 3ggq s SER 566 Cb -0.32 -2.43 0.18 0.00 0.21 0.00 0.00 66.02 63.66 3ggq s SER 566 CO 0.39 -0.55 1.09 0.47 0.41 0.00 0.00 173.24 175.05 3ggq n ASP 567 N -1.63 0.16 -3.83 2.44 8.00 -0.56 -4.87 116.55 116.25 3ggq n ASP 567 Ca 0.05 -1.44 -0.10 0.00 0.71 0.00 0.00 54.79 54.01 3ggq n ASP 567 Cb 0.54 -0.83 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 3ggq n ASP 567 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ggq s GLN 568 N -5.37 0.78 -0.09 -1.24 -2.07 -1.26 -2.07 119.66 108.34 3ggq s GLN 568 Ca 0.62 -0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 53.42 3ggq s GLN 568 Cb -0.02 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 3ggq s GLN 568 CO 0.44 -0.24 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.59 3ggq s LEU 569 N -2.40 3.18 -0.14 2.60 1.43 -0.83 -4.63 118.68 117.89 3ggq s LEU 569 Ca -0.01 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3ggq s LEU 569 Cb 0.01 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3ggq s LEU 569 CO -0.07 0.32 -0.19 -0.76 0.23 0.00 0.00 176.35 175.89 3ggq s LEU 570 N -0.58 2.30 -0.18 1.79 1.43 -1.09 -1.83 118.68 120.52 3ggq s LEU 570 Ca 0.09 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3ggq s LEU 570 Cb -0.12 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3ggq s LEU 570 CO 0.02 0.09 -0.17 -0.69 0.23 0.00 0.00 176.35 175.82 3ggq s VAL 571 N 0.77 2.29 0.17 -1.59 1.01 -0.71 -1.12 120.40 121.22 3ggq s VAL 571 Ca -0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3ggq s VAL 571 Cb -0.16 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 3ggq s VAL 571 CO -0.00 0.52 1.12 -0.70 0.00 0.00 0.00 175.10 176.04 3ggq s GLU 572 N 1.29 4.56 -1.16 2.72 2.12 -0.67 0.11 118.70 127.68 3ggq s GLU 572 Ca 0.04 1.74 -0.10 0.00 0.36 0.00 0.00 54.97 57.02 3ggq s GLU 572 Cb -0.13 -3.28 0.24 0.00 0.26 0.00 0.00 34.13 31.22 3ggq s GLU 572 CO -0.11 0.02 1.35 -1.71 -0.54 0.00 0.00 175.26 174.28 3ggq n ASN 573 N 2.53 5.52 -3.75 -1.70 5.15 -0.06 -4.20 115.26 118.76 3ggq n ASN 573 Ca 0.03 -3.08 -0.06 0.00 -0.60 0.00 0.00 54.58 50.87 3ggq n ASN 573 Cb 0.46 -1.43 -0.02 0.00 -0.53 0.00 0.00 39.78 38.26 3ggq n ASN 573 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ggq s ALA 574 N -0.46 -1.46 0.17 5.20 0.00 -1.26 -4.66 121.76 119.29 3ggq s ALA 574 Ca 0.36 0.02 -0.33 0.00 0.00 0.00 0.00 51.96 52.00 3ggq s ALA 574 Cb -0.04 0.75 -0.16 0.00 0.00 0.00 0.00 23.12 23.68 3ggq s ALA 574 CO -0.02 -0.99 1.22 0.00 0.00 0.00 0.00 175.76 175.98 3ggq n ALA 575 N -0.44 -0.56 0.00 0.00 0.00 -1.26 -0.99 120.51 117.27 3ggq n ALA 575 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3ggq n ALA 575 Cb 0.60 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3ggq n ALA 575 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ggq n GLY 576 N 2.13 3.08 4.01 0.00 0.00 -1.26 -4.70 105.19 108.46 3ggq n GLY 576 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3ggq n GLY 576 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ggq n HIS 577 N -0.80 -1.19 -1.89 1.61 -0.00 -0.16 -4.32 115.22 108.48 3ggq n HIS 577 Ca 0.00 0.08 -0.39 0.00 -0.00 0.00 0.00 57.72 57.41 3ggq n HIS 577 Cb 0.00 -2.33 0.02 0.00 -0.00 0.00 0.00 29.99 27.68 3ggq n HIS 577 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3ggq s ARG 578 N -6.97 3.56 -0.12 -0.41 0.52 -1.26 -4.53 118.95 109.75 3ggq s ARG 578 Ca 0.40 2.24 -0.01 0.00 -0.52 0.00 0.00 55.73 57.84 3ggq s ARG 578 Cb -0.22 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 3ggq s ARG 578 CO 0.83 -0.85 -0.09 0.08 0.02 0.00 0.00 175.30 175.28 3ggq s VAL 579 N -1.28 3.46 -0.04 3.52 1.01 -0.45 -1.67 120.40 124.96 3ggq s VAL 579 Ca 0.64 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3ggq s VAL 579 Cb -0.40 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3ggq s VAL 579 CO 0.50 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.92 3ggq s ALA 580 N -0.01 1.83 0.06 5.51 0.00 -0.28 -2.09 121.76 126.78 3ggq s ALA 580 Ca -0.01 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3ggq s ALA 580 Cb -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3ggq s ALA 580 CO 0.03 0.38 -0.22 0.96 0.00 0.00 0.00 175.76 176.92 3ggq s ILE 581 N -0.22 1.76 0.33 0.00 -4.36 -0.44 -2.68 121.20 115.58 3ggq s ILE 581 Ca 0.01 -1.31 -0.29 0.00 -0.26 0.00 0.00 60.65 58.80 3ggq s ILE 581 Cb -0.11 -1.54 -0.10 0.00 1.25 0.00 0.00 42.46 41.96 3ggq s ILE 581 CO 0.02 0.17 1.26 -0.55 0.24 0.00 0.00 174.94 176.07 3ggq s SER 582 N -1.36 6.85 -0.11 4.36 0.15 -1.26 -1.00 113.70 121.34 3ggq s SER 582 Ca 0.08 2.58 -0.14 0.00 0.70 0.00 0.00 55.95 59.18 3ggq s SER 582 Cb -0.09 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3ggq s SER 582 CO 0.02 -0.47 0.36 0.28 1.20 0.00 0.00 173.24 174.64 3ggq s THR 583 N -1.16 0.01 0.07 6.45 -1.32 -0.74 -4.13 115.64 114.81 3ggq s THR 583 Ca 0.49 -0.11 -0.16 0.00 -1.21 0.00 0.00 61.69 60.70 3ggq s THR 583 Cb -0.38 -0.55 -0.17 0.00 -1.51 0.00 0.00 72.50 69.89 3ggq s THR 583 CO 0.50 -0.06 1.26 0.22 -2.21 0.00 0.00 174.62 174.33 3ggq h TYR 584 N 5.13 0.85 -1.48 9.09 3.20 -1.46 -3.32 116.97 128.98 3ggq h TYR 584 Ca -0.27 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.23 3ggq h TYR 584 Cb 1.18 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3ggq h TYR 584 CO 0.43 1.17 0.00 -2.37 -1.64 0.00 0.00 178.16 175.75 3ggq n THR 585 N -4.13 0.00 -1.06 1.81 5.66 -1.26 -4.79 114.28 110.51 3ggq n THR 585 Ca -0.08 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 3ggq n THR 585 Cb 0.65 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.31 3ggq n THR 585 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3ggq n THR 586 N 0.00 2.97 0.16 1.09 -2.24 -1.26 -4.57 114.28 110.43 3ggq n THR 586 Ca 0.00 -1.75 0.12 0.00 -2.27 0.00 0.00 64.05 60.15 3ggq n THR 586 Cb 0.00 -1.84 0.64 0.00 -2.10 0.00 0.00 70.33 67.03 3ggq n THR 586 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ggq h SER 587 N 2.76 0.03 -0.31 3.42 4.64 -1.95 -0.78 113.55 121.36 3ggq h SER 587 Ca 0.22 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3ggq h SER 587 Cb 1.27 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 3ggq h SER 587 CO 0.37 0.02 -0.05 0.18 -0.87 0.00 0.00 176.83 176.48 3ggq n LEU 588 N -4.48 3.98 0.00 5.97 4.77 -1.26 -4.96 117.00 121.01 3ggq n LEU 588 Ca 0.02 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 3ggq n LEU 588 Cb 0.26 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3ggq n LEU 588 CO 0.35 1.07 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 3ggq n GLY 589 N -0.97 -0.97 0.21 -0.72 0.00 -0.30 -3.62 105.19 98.82 3ggq n GLY 589 Ca 0.29 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.78 3ggq n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggq h ALA 590 N 0.00 0.98 -1.26 4.61 0.00 -1.97 -3.37 119.26 118.25 3ggq h ALA 590 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3ggq h ALA 590 Cb 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 3ggq h ALA 590 CO 0.00 0.00 -1.13 0.41 0.00 0.00 0.00 179.25 178.53 3ggq n GLY 591 N 1.11 2.48 3.28 0.00 0.00 -1.26 -1.22 105.19 109.57 3ggq n GLY 591 Ca 0.04 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 3ggq n GLY 591 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggq n PRO 592 N -0.05 0.02 -1.60 1.61 -0.04 -1.16 -4.77 135.00 129.00 3ggq n PRO 592 Ca 0.16 -0.68 -0.50 0.00 -0.04 0.00 0.00 63.50 62.43 3ggq n PRO 592 Cb 0.76 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 3ggq n PRO 592 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ggq n VAL 593 N 6.00 0.39 -1.52 0.52 0.31 -1.26 -3.20 118.33 119.57 3ggq n VAL 593 Ca 0.24 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 3ggq n VAL 593 Cb 0.40 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3ggq n VAL 593 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3ggq n SER 594 N 7.91 -3.45 -4.29 4.52 7.64 -1.19 -4.64 113.62 120.11 3ggq n SER 594 Ca 0.30 0.51 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 3ggq n SER 594 Cb 0.26 -2.25 -0.15 0.00 -1.01 0.00 0.00 64.21 61.05 3ggq n SER 594 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ggq s ILE 595 N -0.18 1.94 0.04 0.44 1.01 0.83 -1.67 121.20 123.61 3ggq s ILE 595 Ca -0.03 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.55 3ggq s ILE 595 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3ggq s ILE 595 CO 0.07 0.47 -0.11 -0.44 0.00 0.00 0.00 174.94 174.92 3ggq s SER 596 N -0.78 4.28 -0.01 3.58 0.01 0.56 -0.46 113.70 120.88 3ggq s SER 596 Ca 0.10 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.84 3ggq s SER 596 Cb -0.09 -0.86 0.04 0.00 0.21 0.00 0.00 66.02 65.32 3ggq s SER 596 CO -0.00 0.25 0.47 0.00 0.41 0.00 0.00 173.24 174.37 3ggq s ALA 597 N -1.02 -1.21 -0.12 1.44 0.00 -0.17 -1.39 121.76 119.29 3ggq s ALA 597 Ca 0.17 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3ggq s ALA 597 Cb -0.11 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3ggq s ALA 597 CO 0.08 -0.36 -0.14 0.08 0.00 0.00 0.00 175.76 175.42 3ggq s VAL 598 N -1.60 1.45 -0.04 0.00 1.01 -0.67 0.69 120.40 121.24 3ggq s VAL 598 Ca -0.10 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3ggq s VAL 598 Cb -0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3ggq s VAL 598 CO 0.04 0.43 -0.24 0.00 0.00 0.00 0.00 175.10 175.34 3ggq s ALA 599 N 1.16 2.00 -0.25 5.51 0.00 0.35 -3.08 121.76 127.45 3ggq s ALA 599 Ca -0.03 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 3ggq s ALA 599 Cb -0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3ggq s ALA 599 CO -0.04 0.44 0.02 0.08 0.00 0.00 0.00 175.76 176.26 3ggq s VAL 600 N -0.35 3.79 0.28 0.00 1.01 -1.26 0.04 120.40 123.91 3ggq s VAL 600 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3ggq s VAL 600 Cb -0.11 -2.82 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 3ggq s VAL 600 CO 0.01 0.29 1.21 -0.76 0.00 0.00 0.00 175.10 175.85 3ggq s LEU 601 N 1.52 4.48 0.00 3.92 1.43 -0.69 -1.06 118.68 128.28 3ggq s LEU 601 Ca 0.05 2.43 0.32 0.00 -1.03 0.00 0.00 54.13 55.90 3ggq s LEU 601 Cb -0.15 -3.63 1.86 0.00 0.03 0.00 0.00 46.19 44.29 3ggq s LEU 601 CO 0.00 -0.35 2.20 0.00 0.23 0.00 0.00 176.35 178.43