#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibb s THR 465 N 0.00 0.60 -0.25 6.66 -4.23 -1.26 -1.21 115.64 115.95 2ibb s THR 465 Ca 0.00 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 2ibb s THR 465 Cb 0.00 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 2ibb s THR 465 CO 0.00 0.26 0.28 -0.47 -0.54 0.00 0.00 174.62 174.15 2ibb s TYR 466 N 1.18 3.28 0.56 3.99 6.04 -1.26 -5.06 117.35 126.08 2ibb s TYR 466 Ca -0.07 0.34 -0.17 0.00 0.04 0.00 0.00 57.07 57.21 2ibb s TYR 466 Cb -0.14 -2.44 -0.05 0.00 -1.04 0.00 0.00 41.96 38.29 2ibb s TYR 466 CO -0.01 -0.10 1.06 -1.25 -1.54 0.00 0.00 175.55 173.70 2ibb s PRO 467 N 1.60 3.45 0.78 4.97 0.04 -1.26 -4.97 135.00 139.61 2ibb s PRO 467 Ca 0.12 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2ibb s PRO 467 Cb -0.15 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.40 2ibb s PRO 467 CO 0.08 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.25 2ibb s PRO 468 N -3.82 2.21 0.82 0.56 0.04 -1.26 -4.71 135.00 128.84 2ibb s PRO 468 Ca 0.65 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 2ibb s PRO 468 Cb -0.16 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2ibb s PRO 468 CO 0.32 -1.57 1.11 0.95 0.04 0.00 0.00 177.00 177.84 2ibb s THR 469 N -3.07 2.83 0.46 1.26 -4.23 -0.08 -4.27 115.64 108.54 2ibb s THR 469 Ca 0.60 0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 61.16 2ibb s THR 469 Cb -0.15 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 2ibb s THR 469 CO 0.55 -0.35 1.13 -2.84 -0.54 0.00 0.00 174.62 172.56 2ibb s PRO 470 N -5.18 3.81 0.46 3.99 0.02 -1.26 -4.54 135.00 132.30 2ibb s PRO 470 Ca 0.61 1.67 -0.21 0.00 0.02 0.00 0.00 61.00 63.09 2ibb s PRO 470 Cb -0.14 -2.37 -0.09 0.00 0.02 0.00 0.00 34.50 31.92 2ibb s PRO 470 CO 0.54 -0.48 1.03 -1.25 -0.33 0.00 0.00 177.00 176.50 2ibb s PRO 471 N -2.76 3.93 0.06 5.54 0.04 -1.26 -4.74 135.00 135.82 2ibb s PRO 471 Ca 0.64 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 2ibb s PRO 471 Cb -0.26 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2ibb s PRO 471 CO 0.31 -0.32 0.31 -0.80 0.04 0.00 0.00 177.00 176.54 2ibb s ASN 472 N -1.93 6.51 -0.04 6.66 0.01 0.12 -4.60 114.94 121.66 2ibb s ASN 472 Ca 0.65 0.58 0.07 0.00 -0.71 0.00 0.00 52.86 53.45 2ibb s ASN 472 Cb -0.16 -2.09 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2ibb s ASN 472 CO 0.20 0.18 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.03 2ibb s VAL 473 N -1.42 2.07 -0.01 1.60 1.01 -1.26 -1.99 120.40 120.39 2ibb s VAL 473 Ca 0.32 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2ibb s VAL 473 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2ibb s VAL 473 CO 0.20 0.58 -0.01 0.42 0.00 0.00 0.00 175.10 176.28 2ibb s THR 474 N -0.38 0.13 0.07 3.92 -4.23 -0.96 -4.87 115.64 109.32 2ibb s THR 474 Ca 0.03 -0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 2ibb s THR 474 Cb -0.12 -0.15 -0.06 0.00 1.34 0.00 0.00 72.50 73.51 2ibb s THR 474 CO 0.01 0.06 1.25 -0.60 -0.54 0.00 0.00 174.62 174.81 2ibb s ARG 475 N 0.22 4.40 -0.20 3.99 3.52 -0.75 -0.98 118.95 129.14 2ibb s ARG 475 Ca -0.02 1.84 0.10 0.00 -0.13 0.00 0.00 55.73 57.53 2ibb s ARG 475 Cb -0.04 -3.34 -0.19 0.00 -1.56 0.00 0.00 34.95 29.81 2ibb s ARG 475 CO -0.01 -0.32 -0.05 1.28 -0.81 0.00 0.00 175.30 175.40 2ibb n LEU 476 N 4.05 1.22 0.00 -0.88 4.77 -0.60 -2.48 117.00 123.08 2ibb n LEU 476 Ca 0.10 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ibb n LEU 476 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2ibb n LEU 476 CO 0.56 0.63 0.00 -1.54 -1.33 0.00 0.00 177.39 175.71 2ibb n SER 477 N -2.88 0.00 0.22 -1.43 3.41 -0.99 -4.59 113.62 107.36 2ibb n SER 477 Ca -0.34 -0.83 0.09 0.00 -0.26 0.00 0.00 58.87 57.53 2ibb n SER 477 Cb 1.03 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.44 2ibb n SER 477 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2ibb h ASP 478 N 0.00 0.00 -0.05 4.04 5.19 -1.96 -3.27 116.42 120.37 2ibb h ASP 478 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ibb h ASP 478 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2ibb h ASP 478 CO 0.00 0.24 0.00 -0.62 -3.12 0.00 0.00 179.24 175.74 2ibb n GLU 479 N -3.44 1.61 -3.77 3.56 4.71 -1.26 -3.85 120.64 118.20 2ibb n GLU 479 Ca -0.00 -1.26 -0.10 0.00 -0.01 0.00 0.00 57.16 55.79 2ibb n GLU 479 Cb 0.42 -1.06 -0.07 0.00 -1.01 0.00 0.00 31.44 29.73 2ibb n GLU 479 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2ibb s SER 480 N -0.70 -0.05 0.20 1.62 1.04 -1.24 -0.22 113.70 114.35 2ibb s SER 480 Ca 0.04 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2ibb s SER 480 Cb 0.03 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2ibb s SER 480 CO 0.03 -0.72 0.05 0.68 0.98 0.00 0.00 173.24 174.26 2ibb s VAL 481 N -3.36 0.58 -0.08 5.02 -7.23 -0.33 -1.55 120.40 113.45 2ibb s VAL 481 Ca 0.01 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2ibb s VAL 481 Cb 0.02 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2ibb s VAL 481 CO -0.08 -0.28 -0.22 -0.32 -0.31 0.00 0.00 175.10 173.89 2ibb s MET 482 N -3.98 2.80 0.07 4.82 1.75 -0.16 -0.97 119.30 123.63 2ibb s MET 482 Ca 0.30 -0.84 0.05 0.00 -1.25 0.00 0.00 55.69 53.95 2ibb s MET 482 Cb 0.07 -2.30 -0.04 0.00 2.84 0.00 0.00 34.83 35.40 2ibb s MET 482 CO 0.08 0.34 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.22 2ibb s LEU 483 N -0.03 3.24 -0.03 4.11 1.43 0.98 -2.26 118.68 126.12 2ibb s LEU 483 Ca -0.06 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2ibb s LEU 483 Cb -0.15 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2ibb s LEU 483 CO 0.05 0.20 -0.03 -0.13 0.23 0.00 0.00 176.35 176.67 2ibb s ARG 484 N -2.06 0.53 0.28 1.70 0.52 -0.84 -2.27 118.95 116.81 2ibb s ARG 484 Ca 0.22 -0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 2ibb s ARG 484 Cb -0.11 -0.58 -0.01 0.00 0.52 0.00 0.00 34.95 34.77 2ibb s ARG 484 CO 0.14 -0.03 0.39 1.67 0.02 0.00 0.00 175.30 177.49 2ibb s TRP 485 N 0.60 0.89 0.06 -0.53 -2.14 -0.98 -0.70 118.94 116.14 2ibb s TRP 485 Ca -0.07 -1.15 0.01 0.00 2.66 0.00 0.00 56.10 57.55 2ibb s TRP 485 Cb -0.10 -0.13 -0.03 0.00 -3.10 0.00 0.00 33.47 30.10 2ibb s TRP 485 CO -0.00 -0.97 -0.05 -1.64 -2.66 0.00 0.00 176.95 171.62 2ibb s MET 486 N -3.62 0.62 -0.29 3.25 -1.94 -1.26 -0.36 119.30 115.71 2ibb s MET 486 Ca 0.30 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 2ibb s MET 486 Cb 0.01 -0.06 0.06 0.00 2.01 0.00 0.00 34.83 36.85 2ibb s MET 486 CO 0.15 -0.03 -0.04 0.08 -0.01 0.00 0.00 175.02 175.17 2ibb s VAL 487 N -2.87 2.64 0.50 -6.03 1.01 0.96 -0.91 120.40 115.70 2ibb s VAL 487 Ca 0.01 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.24 2ibb s VAL 487 Cb 0.00 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 2ibb s VAL 487 CO -0.04 -0.10 1.38 -2.84 0.00 0.00 0.00 175.10 173.50 2ibb s PRO 488 N 1.18 3.38 0.28 2.72 0.02 -1.26 -1.03 135.00 140.29 2ibb s PRO 488 Ca -0.06 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 2ibb s PRO 488 Cb -0.20 -2.43 -0.13 0.00 0.02 0.00 0.00 34.50 31.77 2ibb s PRO 488 CO -0.03 -1.02 1.43 0.54 -0.33 0.00 0.00 177.00 177.59 2ibb n ARG 489 N -0.67 2.22 -3.53 5.54 1.74 -0.69 -4.87 116.66 116.40 2ibb n ARG 489 Ca 0.08 0.79 -0.08 0.00 -0.77 0.00 0.00 57.85 57.87 2ibb n ARG 489 Cb 0.44 -2.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 2ibb n ARG 489 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ibb s ASN 490 N 0.20 -0.36 -0.35 0.55 2.20 -1.26 -5.04 114.94 110.89 2ibb s ASN 490 Ca 0.64 -0.06 0.08 0.00 -0.94 0.00 0.00 52.86 52.58 2ibb s ASN 490 Cb -0.59 0.43 0.61 0.00 -2.00 0.00 0.00 41.25 39.69 2ibb s ASN 490 CO 0.52 -0.71 1.69 0.47 -2.94 0.00 0.00 177.10 176.13 2ibb n ASP 491 N -0.29 3.43 -1.90 3.54 8.00 -1.26 -4.98 116.55 123.08 2ibb n ASP 491 Ca -0.09 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.83 2ibb n ASP 491 Cb 0.62 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2ibb n ASP 491 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ibb n GLY 492 N -0.94 1.28 3.61 0.44 0.00 -1.26 -4.87 105.19 103.45 2ibb n GLY 492 Ca 0.44 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 2ibb n GLY 492 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ibb n LEU 493 N 0.00 2.91 -4.81 0.99 4.77 -0.35 -4.94 117.00 115.57 2ibb n LEU 493 Ca 0.00 0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 56.59 2ibb n LEU 493 Cb 0.00 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 39.66 2ibb n LEU 493 CO 0.00 -1.63 0.62 -2.16 -1.33 0.00 0.00 177.39 172.89 2ibb s PRO 494 N -2.25 4.30 -0.01 3.23 0.04 -1.26 -4.80 135.00 134.24 2ibb s PRO 494 Ca 0.67 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 2ibb s PRO 494 Cb -0.50 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2ibb s PRO 494 CO 0.54 0.08 0.62 0.42 0.04 0.00 0.00 177.00 178.70 2ibb s ILE 495 N -2.00 4.91 -0.16 0.56 1.01 -1.26 -1.33 121.20 122.93 2ibb s ILE 495 Ca 0.58 1.30 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 2ibb s ILE 495 Cb -0.12 -3.96 -0.15 0.00 0.01 0.00 0.00 42.46 38.24 2ibb s ILE 495 CO 0.16 0.39 0.27 0.58 0.00 0.00 0.00 174.94 176.34 2ibb h VAL 496 N 4.22 0.85 -4.21 2.92 2.07 0.07 -3.41 116.25 118.77 2ibb h VAL 496 Ca -0.44 -1.82 -0.16 0.00 0.82 0.00 0.00 66.70 65.10 2ibb h VAL 496 Cb 1.20 1.79 -0.13 0.00 -1.52 0.00 0.00 31.29 32.63 2ibb h VAL 496 CO 0.71 0.29 -0.43 0.27 0.02 0.00 0.00 177.57 178.42 2ibb s ILE 497 N -2.16 0.01 0.15 4.57 -4.36 -1.16 -2.38 121.20 115.88 2ibb s ILE 497 Ca -0.19 -1.74 0.11 0.00 -0.26 0.00 0.00 60.65 58.57 2ibb s ILE 497 Cb 0.02 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 2ibb s ILE 497 CO 0.45 -0.07 -0.26 -0.36 0.24 0.00 0.00 174.94 174.95 2ibb s PHE 498 N -4.09 2.32 -0.08 1.37 0.08 0.20 -1.07 117.98 116.70 2ibb s PHE 498 Ca 0.30 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2ibb s PHE 498 Cb 0.04 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2ibb s PHE 498 CO 0.09 0.39 -0.08 0.15 -0.10 0.00 0.00 175.22 175.67 2ibb s LYS 499 N -2.27 1.38 -0.14 0.44 1.02 0.70 -1.23 119.74 119.64 2ibb s LYS 499 Ca 0.16 -0.25 -0.20 0.00 0.02 0.00 0.00 55.97 55.70 2ibb s LYS 499 Cb -0.09 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 2ibb s LYS 499 CO 0.07 -0.13 0.59 0.08 -0.92 0.00 0.00 175.35 175.04 2ibb s VAL 500 N 1.22 5.09 0.30 3.17 1.01 -1.26 -0.86 120.40 129.07 2ibb s VAL 500 Ca -0.05 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.17 2ibb s VAL 500 Cb -0.14 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2ibb s VAL 500 CO -0.02 0.21 -0.10 -1.10 0.00 0.00 0.00 175.10 174.09 2ibb s GLN 501 N 1.25 1.67 0.10 2.72 -0.21 -0.83 -1.46 119.66 122.90 2ibb s GLN 501 Ca 0.29 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.57 2ibb s GLN 501 Cb -0.16 -1.47 0.08 0.00 1.00 0.00 0.00 33.01 32.46 2ibb s GLN 501 CO 0.12 0.13 0.91 1.52 -2.12 0.00 0.00 175.29 175.85 2ibb s TYR 502 N -2.77 -0.23 -0.27 0.91 -0.85 -0.58 -2.47 117.35 111.09 2ibb s TYR 502 Ca 0.30 -0.01 -0.23 0.00 -0.52 0.00 0.00 57.07 56.61 2ibb s TYR 502 Cb 0.02 0.60 0.08 0.00 0.38 0.00 0.00 41.96 43.04 2ibb s TYR 502 CO 0.14 -0.74 0.77 -0.98 -1.52 0.00 0.00 175.55 173.22 2ibb s ARG 503 N -3.27 0.75 0.32 -3.49 1.70 -0.74 -0.61 118.95 113.62 2ibb s ARG 503 Ca 0.09 0.97 -0.26 0.00 -0.47 0.00 0.00 55.73 56.06 2ibb s ARG 503 Cb -0.01 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 2ibb s ARG 503 CO -0.03 -0.10 0.94 0.00 -1.08 0.00 0.00 175.30 175.03 2ibb s MET 504 N 0.61 4.57 0.50 3.89 0.23 -1.26 -1.45 119.30 126.39 2ibb s MET 504 Ca -0.02 1.31 -0.21 0.00 -1.03 0.00 0.00 55.69 55.75 2ibb s MET 504 Cb -0.05 -2.78 -0.07 0.00 -1.53 0.00 0.00 34.83 30.40 2ibb s MET 504 CO -0.04 0.27 1.13 0.08 -2.03 0.00 0.00 175.02 174.43 2ibb s VAL 505 N -1.63 3.24 0.00 5.16 1.01 0.17 -3.28 120.40 125.07 2ibb s VAL 505 Ca 0.50 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2ibb s VAL 505 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2ibb s VAL 505 CO 0.23 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2ibb n GLY 506 N 0.23 0.50 3.09 4.51 0.00 -1.26 -4.71 105.19 107.56 2ibb n GLY 506 Ca 0.09 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2ibb n GLY 506 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ibb s LYS 507 N -0.96 0.71 -0.00 1.61 2.20 -1.20 -5.09 119.74 117.01 2ibb s LYS 507 Ca 0.00 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 2ibb s LYS 507 Cb 0.00 -0.63 -0.14 0.00 -1.51 0.00 0.00 37.83 35.54 2ibb s LYS 507 CO 0.00 0.15 0.77 0.54 -0.36 0.00 0.00 175.35 176.45 2ibb n ARG 508 N 1.83 0.00 -0.24 4.03 5.12 -1.26 -4.55 116.66 121.59 2ibb n ARG 508 Ca -0.19 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.67 2ibb n ARG 508 Cb 0.55 -1.08 -0.02 0.00 -1.16 0.00 0.00 32.46 30.76 2ibb n ARG 508 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ibb n LYS 509 N 1.10 0.61 -3.82 5.56 5.02 -1.26 -4.76 118.16 120.62 2ibb n LYS 509 Ca 0.14 -0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 55.48 2ibb n LYS 509 Cb 0.06 -1.94 -0.13 0.00 -0.02 0.00 0.00 35.03 32.99 2ibb n LYS 509 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ibb s ASN 510 N 3.80 4.87 0.24 4.39 0.02 -1.26 -5.10 114.94 121.91 2ibb s ASN 510 Ca 0.14 -0.67 -0.28 0.00 -1.02 0.00 0.00 52.86 51.03 2ibb s ASN 510 Cb 0.05 -1.82 -0.09 0.00 0.02 0.00 0.00 41.25 39.40 2ibb s ASN 510 CO -0.01 -0.15 0.90 0.26 0.02 0.00 0.00 177.10 178.13 2ibb s TRP 511 N 1.47 3.91 0.02 2.20 0.52 -1.26 -4.74 118.94 121.06 2ibb s TRP 511 Ca 0.03 1.83 0.01 0.00 0.02 0.00 0.00 56.10 57.99 2ibb s TRP 511 Cb -0.17 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 2ibb s TRP 511 CO 0.00 0.42 0.05 -0.65 0.02 0.00 0.00 176.95 176.79 2ibb s GLN 512 N -1.37 2.90 -0.11 4.98 -1.52 0.22 -4.91 119.66 119.85 2ibb s GLN 512 Ca 0.42 -0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 2ibb s GLN 512 Cb -0.24 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 2ibb s GLN 512 CO 0.29 0.61 -0.05 0.99 -0.25 0.00 0.00 175.29 176.88 2ibb s THR 513 N -1.22 3.81 0.88 -0.19 2.01 -1.26 -1.52 115.64 118.15 2ibb s THR 513 Ca 0.24 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2ibb s THR 513 Cb -0.12 -2.61 0.12 0.00 0.01 0.00 0.00 72.50 69.90 2ibb s THR 513 CO 0.15 0.55 1.11 0.42 -0.69 0.00 0.00 174.62 176.17 2ibb s THR 514 N -0.29 2.48 -1.03 -0.82 -4.23 -0.53 -4.96 115.64 106.26 2ibb s THR 514 Ca 0.04 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2ibb s THR 514 Cb -0.13 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.20 2ibb s THR 514 CO 0.02 -0.20 1.73 -3.20 -0.54 0.00 0.00 174.62 172.43 2ibb n ASN 515 N -3.73 7.07 -3.23 3.99 2.85 -1.26 -4.82 115.26 116.13 2ibb n ASN 515 Ca 0.07 -3.63 -0.07 0.00 -0.11 0.00 0.00 54.58 50.83 2ibb n ASN 515 Cb 0.57 -1.17 -0.04 0.00 1.24 0.00 0.00 39.78 40.38 2ibb n ASN 515 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 2ibb s ASP 516 N -1.51 -0.39 -0.32 1.20 -4.77 -1.26 -5.10 116.67 104.53 2ibb s ASP 516 Ca 0.38 -1.26 -0.29 0.00 -3.30 0.00 0.00 52.55 48.07 2ibb s ASP 516 Cb 0.16 1.34 -0.01 0.00 -1.09 0.00 0.00 42.92 43.32 2ibb s ASP 516 CO -0.08 -0.19 1.62 0.20 0.70 0.00 0.00 175.17 177.42 2ibb s ASN 517 N 1.53 6.19 -0.27 2.11 0.01 -1.26 -4.61 114.94 118.64 2ibb s ASN 517 Ca 0.18 1.27 -0.25 0.00 -0.71 0.00 0.00 52.86 53.36 2ibb s ASN 517 Cb -0.08 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 2ibb s ASN 517 CO -0.05 -1.47 0.85 -0.63 -1.51 0.00 0.00 177.10 174.28 2ibb s ILE 518 N 5.87 4.79 0.66 0.60 1.01 -0.36 -4.86 121.20 128.90 2ibb s ILE 518 Ca 0.71 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 62.72 2ibb s ILE 518 Cb -0.21 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 2ibb s ILE 518 CO 0.32 -0.16 1.07 -2.84 0.00 0.00 0.00 174.94 173.33 2ibb s PRO 519 N 2.96 2.96 0.12 2.79 0.02 -1.26 0.59 135.00 143.18 2ibb s PRO 519 Ca 0.35 1.17 -0.11 0.00 0.02 0.00 0.00 61.00 62.44 2ibb s PRO 519 Cb -0.15 -1.99 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 2ibb s PRO 519 CO 0.09 -1.09 1.34 -0.92 -0.33 0.00 0.00 177.00 176.09 2ibb h TYR 520 N -0.16 1.01 -0.23 6.54 3.20 -1.71 -3.45 116.97 122.17 2ibb h TYR 520 Ca -0.46 -0.43 0.00 0.00 3.14 0.00 0.00 58.73 60.98 2ibb h TYR 520 Cb 1.22 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2ibb h TYR 520 CO 0.58 1.25 0.00 0.41 -1.64 0.00 0.00 178.16 178.77 2ibb n GLY 521 N 0.61 0.36 3.10 1.82 0.00 -1.26 -4.91 105.19 104.91 2ibb n GLY 521 Ca -0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2ibb n GLY 521 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ibb s LYS 522 N 0.00 0.63 0.12 1.61 1.02 -1.26 -4.72 119.74 117.15 2ibb s LYS 522 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 2ibb s LYS 522 Cb 0.00 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2ibb s LYS 522 CO 0.00 -0.08 0.15 -0.35 -0.92 0.00 0.00 175.35 174.15 2ibb n PRO 523 N 0.24 -0.44 -0.10 -1.68 -0.04 -1.26 -4.46 135.00 127.25 2ibb n PRO 523 Ca -0.15 -0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.95 2ibb n PRO 523 Cb 0.60 -0.17 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 2ibb n PRO 523 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2ibb h LYS 524 N 0.00 0.73 -4.57 0.54 3.64 -1.96 -3.45 116.57 111.50 2ibb h LYS 524 Ca -0.05 -0.36 -0.28 0.00 -1.27 0.00 0.00 60.65 58.69 2ibb h LYS 524 Cb 0.14 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.75 2ibb h LYS 524 CO 0.03 0.98 -0.74 -1.58 -2.27 0.00 0.00 179.45 175.88 2ibb s TRP 525 N -4.45 0.67 -0.12 1.91 0.23 -1.26 -4.56 118.94 111.36 2ibb s TRP 525 Ca -0.12 -0.49 0.02 0.00 -2.03 0.00 0.00 56.10 53.48 2ibb s TRP 525 Cb 0.09 -0.40 0.06 0.00 0.03 0.00 0.00 33.47 33.24 2ibb s TRP 525 CO 0.83 -0.08 1.04 0.27 0.96 0.00 0.00 176.95 179.97 2ibb n ASN 526 N 1.50 2.15 -3.71 2.95 0.23 -0.56 -4.94 115.26 112.87 2ibb n ASN 526 Ca -0.23 -2.07 -0.05 0.00 -0.53 0.00 0.00 54.58 51.70 2ibb n ASN 526 Cb 0.55 -0.06 -0.01 0.00 -2.08 0.00 0.00 39.78 38.18 2ibb n ASN 526 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2ibb s SER 527 N -1.11 -0.19 0.47 0.53 1.04 -0.95 -4.98 113.70 108.51 2ibb s SER 527 Ca 0.05 -0.58 0.27 0.00 0.48 0.00 0.00 55.95 56.16 2ibb s SER 527 Cb 0.03 0.63 0.98 0.00 0.10 0.00 0.00 66.02 67.76 2ibb s SER 527 CO 0.02 -1.18 1.84 -0.33 0.98 0.00 0.00 173.24 174.57 2ibb h GLU 528 N 2.00 0.00 -0.21 4.02 4.39 -2.03 -3.11 114.58 119.64 2ibb h GLU 528 Ca -0.23 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 2ibb h GLU 528 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2ibb h GLU 528 CO 0.26 0.14 -0.28 1.25 -1.16 0.00 0.00 179.01 179.23 2ibb h LEU 529 N 0.00 0.60 0.00 1.33 5.85 -1.97 -3.45 115.31 117.67 2ibb h LEU 529 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2ibb h LEU 529 Cb 0.72 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2ibb h LEU 529 CO 0.02 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 2ibb n GLY 530 N 0.28 -0.59 3.10 3.75 0.00 -1.18 -1.70 105.19 108.86 2ibb n GLY 530 Ca -0.05 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2ibb n GLY 530 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ibb s LYS 531 N -1.46 1.95 0.32 1.61 2.20 -0.20 -1.50 119.74 122.66 2ibb s LYS 531 Ca 0.00 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2ibb s LYS 531 Cb 0.00 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.69 2ibb s LYS 531 CO 0.00 0.13 0.49 -1.54 -0.36 0.00 0.00 175.35 174.07 2ibb s SER 532 N 0.37 6.19 0.09 1.43 1.04 -1.26 -0.03 113.70 121.53 2ibb s SER 532 Ca -0.11 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2ibb s SER 532 Cb -0.14 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 2ibb s SER 532 CO 0.04 -0.30 0.12 -0.36 0.98 0.00 0.00 173.24 173.72 2ibb s PHE 533 N -2.22 0.37 -0.14 5.02 0.08 0.52 -4.95 117.98 116.66 2ibb s PHE 533 Ca 0.40 -0.83 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 2ibb s PHE 533 Cb -0.09 -0.21 0.06 0.00 -0.57 0.00 0.00 43.02 42.21 2ibb s PHE 533 CO 0.33 -0.51 0.32 0.99 -0.10 0.00 0.00 175.22 176.25 2ibb s THR 534 N -3.91 -0.15 0.02 0.64 2.01 -1.26 -2.33 115.64 110.66 2ibb s THR 534 Ca 0.09 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 2ibb s THR 534 Cb 0.06 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 2ibb s THR 534 CO -0.08 0.06 0.15 0.00 -0.69 0.00 0.00 174.62 174.06 2ibb s ALA 535 N 1.62 -0.29 0.27 7.40 0.00 -0.96 -4.41 121.76 125.39 2ibb s ALA 535 Ca -0.07 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.72 2ibb s ALA 535 Cb -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2ibb s ALA 535 CO -0.10 -0.28 0.07 -1.54 0.00 0.00 0.00 175.76 173.91 2ibb s SER 536 N -1.74 4.82 -0.08 0.00 1.04 -1.26 -0.02 113.70 116.47 2ibb s SER 536 Ca -0.10 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.79 2ibb s SER 536 Cb -0.04 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 65.11 2ibb s SER 536 CO -0.01 -0.04 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 2ibb s VAL 537 N -2.28 1.05 0.49 5.02 1.01 -0.15 -4.95 120.40 120.59 2ibb s VAL 537 Ca 0.32 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2ibb s VAL 537 Cb -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2ibb s VAL 537 CO 0.22 0.35 0.17 0.35 0.00 0.00 0.00 175.10 176.18 2ibb n THR 538 N 4.17 0.00 -1.41 3.92 -2.24 -1.26 -1.18 114.28 116.28 2ibb n THR 538 Ca -0.20 -2.12 -0.10 0.00 -2.27 0.00 0.00 64.05 59.36 2ibb n THR 538 Cb 0.51 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2ibb n THR 538 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ibb n ASP 539 N -1.53 -4.06 -4.89 3.42 8.00 -0.90 -4.92 116.55 111.66 2ibb n ASP 539 Ca -0.12 0.21 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 2ibb n ASP 539 Cb 0.59 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.12 39.09 2ibb n ASP 539 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ibb s LEU 540 N -2.32 4.14 0.05 0.64 1.43 0.70 -5.05 118.68 118.27 2ibb s LEU 540 Ca 0.00 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 2ibb s LEU 540 Cb 0.00 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 2ibb s LEU 540 CO 0.00 -0.10 0.42 -0.54 0.23 0.00 0.00 176.35 176.35 2ibb s LYS 541 N -3.14 3.84 0.70 1.70 1.02 -1.26 -4.24 119.74 118.35 2ibb s LYS 541 Ca 0.44 0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.62 2ibb s LYS 541 Cb -0.11 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2ibb s LYS 541 CO 0.26 0.60 1.06 -2.14 -0.92 0.00 0.00 175.35 174.21 2ibb s PRO 542 N -1.59 2.94 -1.51 -1.68 0.02 -1.25 -3.99 135.00 127.93 2ibb s PRO 542 Ca 0.30 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2ibb s PRO 542 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2ibb s PRO 542 CO 0.16 -1.08 0.00 1.04 -0.33 0.00 0.00 177.00 176.79 2ibb n GLN 543 N -3.11 -1.30 -4.37 5.54 6.02 0.12 -5.00 117.38 115.28 2ibb n GLN 543 Ca 0.07 0.87 -0.21 0.00 -0.01 0.00 0.00 57.00 57.73 2ibb n GLN 543 Cb 0.54 -5.26 -0.13 0.00 1.02 0.00 0.00 30.24 26.41 2ibb n GLN 543 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2ibb s HIS 544 N -2.79 1.36 -0.03 1.08 3.76 -1.25 -4.96 115.29 112.45 2ibb s HIS 544 Ca 0.00 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 2ibb s HIS 544 Cb 0.00 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 2ibb s HIS 544 CO 0.00 0.06 0.31 0.99 -0.85 0.00 0.00 174.74 175.24 2ibb s THR 545 N -0.93 5.22 0.26 1.30 2.01 -1.26 -0.89 115.64 121.35 2ibb s THR 545 Ca 0.02 0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2ibb s THR 545 Cb -0.08 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2ibb s THR 545 CO 0.02 0.55 0.03 -0.31 -0.69 0.00 0.00 174.62 174.22 2ibb s TYR 546 N -1.11 1.66 0.01 4.92 2.02 0.16 0.42 117.35 125.43 2ibb s TYR 546 Ca 0.22 -0.99 0.02 0.00 -0.37 0.00 0.00 57.07 55.95 2ibb s TYR 546 Cb -0.15 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2ibb s TYR 546 CO 0.11 -0.09 -0.05 1.03 -1.57 0.00 0.00 175.55 174.97 2ibb s ARG 547 N -3.91 0.41 0.21 -0.62 0.52 -0.53 0.23 118.95 115.27 2ibb s ARG 547 Ca 0.32 -0.35 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 2ibb s ARG 547 Cb 0.07 -0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.17 2ibb s ARG 547 CO 0.11 0.08 -0.11 -0.06 0.02 0.00 0.00 175.30 175.34 2ibb s PHE 548 N -0.52 1.69 0.12 -0.53 0.08 -1.26 -1.79 117.98 115.76 2ibb s PHE 548 Ca -0.02 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.16 2ibb s PHE 548 Cb -0.04 -0.84 0.06 0.00 -0.57 0.00 0.00 43.02 41.63 2ibb s PHE 548 CO -0.00 0.28 0.57 -0.98 -0.10 0.00 0.00 175.22 174.99 2ibb s ARG 549 N -3.69 1.19 -0.12 0.44 1.70 -1.03 -0.96 118.95 116.48 2ibb s ARG 549 Ca 0.23 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 55.10 2ibb s ARG 549 Cb 0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.91 2ibb s ARG 549 CO 0.07 -0.49 -0.08 0.42 -1.08 0.00 0.00 175.30 174.14 2ibb s ILE 550 N -3.28 3.52 -0.19 4.99 -1.09 -1.26 -1.97 121.20 121.92 2ibb s ILE 550 Ca -0.01 -0.51 -0.06 0.00 -2.23 0.00 0.00 60.65 57.84 2ibb s ILE 550 Cb -0.00 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 2ibb s ILE 550 CO -0.09 0.54 0.02 -0.22 -1.23 0.00 0.00 174.94 173.96 2ibb s LEU 551 N -0.04 3.48 -0.17 2.97 0.20 -0.04 -1.02 118.68 124.06 2ibb s LEU 551 Ca -0.01 -0.08 -0.02 0.00 0.69 0.00 0.00 54.13 54.71 2ibb s LEU 551 Cb -0.14 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 2ibb s LEU 551 CO 0.03 0.12 -0.07 0.00 -0.29 0.00 0.00 176.35 176.14 2ibb s ALA 552 N 0.68 2.79 -0.22 5.97 0.00 -0.02 -0.22 121.76 130.74 2ibb s ALA 552 Ca 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2ibb s ALA 552 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2ibb s ALA 552 CO 0.02 -0.01 0.08 0.08 0.00 0.00 0.00 175.76 175.93 2ibb s VAL 553 N 0.77 4.63 0.73 0.00 1.01 -0.24 -1.96 120.40 125.34 2ibb s VAL 553 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2ibb s VAL 553 Cb -0.15 -3.13 0.12 0.00 0.00 0.00 0.00 36.38 33.22 2ibb s VAL 553 CO 0.02 0.39 1.01 -0.31 0.00 0.00 0.00 175.10 176.20 2ibb s TYR 554 N 1.02 1.78 0.37 5.22 1.51 -0.90 0.73 117.35 127.08 2ibb s TYR 554 Ca 0.04 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 2ibb s TYR 554 Cb -0.14 -3.09 0.72 0.00 -0.11 0.00 0.00 41.96 39.34 2ibb s TYR 554 CO 0.03 -1.71 1.98 0.66 -1.11 0.00 0.00 175.55 175.41 2ibb h SER 555 N -0.58 0.54 -0.05 2.29 4.64 -1.55 -0.92 113.55 117.93 2ibb h SER 555 Ca -0.38 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ibb h SER 555 Cb 1.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2ibb h SER 555 CO 0.42 0.46 0.00 -0.46 -0.87 0.00 0.00 176.83 176.39 2ibb n ASN 556 N -4.40 0.41 0.00 4.97 6.94 -1.26 -4.89 115.26 117.04 2ibb n ASN 556 Ca 0.03 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 2ibb n ASN 556 Cb 0.12 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2ibb n ASN 556 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2ibb n ASN 557 N -0.48 0.00 -4.60 0.53 5.15 -0.35 -5.04 115.26 110.47 2ibb n ASN 557 Ca 0.13 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.82 2ibb n ASN 557 Cb 0.12 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.57 2ibb n ASN 557 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2ibb s ASP 558 N -3.10 2.10 -0.04 1.20 1.01 -1.26 -4.68 116.67 111.91 2ibb s ASP 558 Ca 0.00 1.61 0.03 0.00 0.71 0.00 0.00 52.55 54.91 2ibb s ASP 558 Cb 0.00 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.65 2ibb s ASP 558 CO 0.00 -3.52 -0.14 0.20 0.21 0.00 0.00 175.17 171.93 2ibb s ASN 559 N -2.86 1.77 -0.02 0.27 0.02 -1.26 -2.11 114.94 110.75 2ibb s ASN 559 Ca 0.67 -0.28 0.00 0.00 -1.02 0.00 0.00 52.86 52.22 2ibb s ASN 559 Cb -0.22 -0.51 0.02 0.00 0.02 0.00 0.00 41.25 40.56 2ibb s ASN 559 CO 0.61 0.11 0.01 -0.54 0.02 0.00 0.00 177.10 177.30 2ibb s LYS 560 N 0.15 0.10 -0.10 -0.60 1.02 -0.83 -4.99 119.74 114.48 2ibb s LYS 560 Ca -0.04 0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 2ibb s LYS 560 Cb -0.11 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.91 2ibb s LYS 560 CO 0.02 -0.09 0.03 -1.21 -0.92 0.00 0.00 175.35 173.18 2ibb s GLU 561 N 0.66 3.15 1.10 1.68 8.01 -1.26 -0.84 118.70 131.20 2ibb s GLU 561 Ca -0.06 -0.36 -0.15 0.00 0.01 0.00 0.00 54.97 54.41 2ibb s GLU 561 Cb -0.09 -2.89 0.24 0.00 -4.31 0.00 0.00 34.13 27.08 2ibb s GLU 561 CO -0.02 0.68 1.09 -1.54 0.01 0.00 0.00 175.26 175.48 2ibb s SER 562 N -0.80 1.72 0.74 -0.19 1.04 -0.19 -4.87 113.70 111.15 2ibb s SER 562 Ca 0.12 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.41 2ibb s SER 562 Cb -0.12 -1.47 0.04 0.00 0.10 0.00 0.00 66.02 64.57 2ibb s SER 562 CO 0.02 -3.67 1.07 0.20 0.98 0.00 0.00 173.24 171.85 2ibb s ASN 563 N -3.57 4.93 0.59 7.02 0.01 -1.26 -4.69 114.94 117.98 2ibb s ASN 563 Ca 0.68 1.63 -0.15 0.00 -0.71 0.00 0.00 52.86 54.31 2ibb s ASN 563 Cb -0.15 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 2ibb s ASN 563 CO 0.57 -1.74 1.04 0.42 -1.51 0.00 0.00 177.10 175.89 2ibb s THR 564 N -3.02 4.06 0.79 1.60 -4.23 -1.26 -4.21 115.64 109.37 2ibb s THR 564 Ca 0.59 0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 61.90 2ibb s THR 564 Cb -0.15 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.26 2ibb s THR 564 CO 0.55 -0.65 1.10 -0.94 -0.54 0.00 0.00 174.62 174.15 2ibb s SER 565 N -3.11 4.64 1.12 3.99 1.04 -0.14 -4.89 113.70 116.35 2ibb s SER 565 Ca 0.61 1.22 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 2ibb s SER 565 Cb -0.14 -1.95 0.26 0.00 0.10 0.00 0.00 66.02 64.29 2ibb s SER 565 CO 0.40 -1.87 1.05 0.00 0.98 0.00 0.00 173.24 173.80 2ibb s ALA 566 N -3.23 -0.10 0.32 5.32 0.00 -1.26 -4.61 121.76 118.20 2ibb s ALA 566 Ca 0.60 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2ibb s ALA 566 Cb -0.13 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 2ibb s ALA 566 CO 0.53 -3.59 1.24 0.15 0.00 0.00 0.00 175.76 174.10 2ibb s LYS 567 N -4.60 4.42 -0.11 0.00 1.02 -1.26 -4.66 119.74 114.55 2ibb s LYS 567 Ca 0.68 2.09 -0.00 0.00 0.02 0.00 0.00 55.97 58.75 2ibb s LYS 567 Cb -0.23 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2ibb s LYS 567 CO 0.63 -0.08 -0.07 0.12 -0.92 0.00 0.00 175.35 175.02 2ibb s PHE 568 N -1.16 1.47 -0.30 3.18 5.36 0.14 -4.93 117.98 121.74 2ibb s PHE 568 Ca 0.48 -0.74 -0.21 0.00 -0.96 0.00 0.00 56.93 55.50 2ibb s PHE 568 Cb -0.37 -1.23 -0.01 0.00 -0.34 0.00 0.00 43.02 41.07 2ibb s PHE 568 CO 0.49 -0.51 0.68 -0.47 -1.46 0.00 0.00 175.22 173.95 2ibb s TYR 569 N 1.71 3.21 -0.96 10.12 5.04 -1.26 0.40 117.35 135.61 2ibb s TYR 569 Ca 0.05 0.67 -0.24 0.00 -2.44 0.00 0.00 57.07 55.11 2ibb s TYR 569 Cb -0.13 -3.06 0.05 0.00 0.35 0.00 0.00 41.96 39.17 2ibb s TYR 569 CO -0.08 -0.50 1.42 -1.17 -1.34 0.00 0.00 175.55 173.88 2ibb s LEU 570 N 2.72 3.43 0.21 6.97 2.96 -0.07 -4.97 118.68 129.94 2ibb s LEU 570 Ca 0.28 -1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 2ibb s LEU 570 Cb -0.15 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 2ibb s LEU 570 CO 0.12 -1.58 0.95 -1.58 -1.32 0.00 0.00 176.35 172.94 2ibb s GLN 571 N 5.14 4.82 0.58 1.98 0.74 -1.26 0.14 119.66 131.80 2ibb s GLN 571 Ca 0.44 1.49 -0.20 0.00 0.05 0.00 0.00 55.36 57.14 2ibb s GLN 571 Cb -0.02 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 2ibb s GLN 571 CO -0.05 0.44 1.28 -1.25 -0.55 0.00 0.00 175.29 175.16 2ibb s PRO 572 N -0.91 2.98 0.10 1.67 0.04 -1.26 -4.75 135.00 132.87 2ibb s PRO 572 Ca 0.42 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 63.17 2ibb s PRO 572 Cb -0.25 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.10 2ibb s PRO 572 CO 0.32 -1.25 1.59 0.78 0.04 0.00 0.00 177.00 178.48 2ibb h GLY 573 N 1.09 -0.94 -3.97 0.56 0.00 -1.94 -3.46 103.07 94.40 2ibb h GLY 573 Ca -0.51 0.48 -0.55 0.00 0.00 0.00 0.00 47.33 46.75 2ibb h GLY 573 CO 0.56 -0.31 -0.61 0.00 0.00 0.00 0.00 176.54 176.18 2ibb n ALA 574 N -2.75 -2.66 -2.36 3.60 0.00 -1.26 -3.24 120.51 111.84 2ibb n ALA 574 Ca -0.10 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 2ibb n ALA 574 Cb 0.39 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.54 2ibb n ALA 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ibb n ALA 575 N -0.39 -0.20 -2.65 0.00 0.00 -1.26 -5.06 120.51 110.95 2ibb n ALA 575 Ca 0.13 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 2ibb n ALA 575 Cb 0.27 -1.17 -0.16 0.00 0.00 0.00 0.00 19.45 18.39 2ibb n ALA 575 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ibb s LEU 576 N -1.75 1.99 0.18 0.00 1.43 -1.20 -5.11 118.68 114.22 2ibb s LEU 576 Ca 0.05 -0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 52.51 2ibb s LEU 576 Cb -0.02 -0.91 -0.11 0.00 0.03 0.00 0.00 46.19 45.17 2ibb s LEU 576 CO 0.07 0.19 1.74 -1.81 0.23 0.00 0.00 176.35 176.77 2ibb s ASP 577 N -0.24 6.40 -0.00 2.29 1.01 -1.26 -4.92 116.67 119.95 2ibb s ASP 577 Ca 0.03 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 55.82 2ibb s ASP 577 Cb -0.08 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 2ibb s ASP 577 CO 0.00 -0.97 1.89 -2.84 0.21 0.00 0.00 175.17 173.46 2ibb s PRO 578 N 1.58 4.10 0.54 8.23 0.02 -1.26 -4.99 135.00 143.23 2ibb s PRO 578 Ca 0.76 2.46 -0.17 0.00 0.02 0.00 0.00 61.00 64.07 2ibb s PRO 578 Cb -0.48 -4.12 -0.06 0.00 0.02 0.00 0.00 34.50 29.85 2ibb s PRO 578 CO 0.33 -0.98 1.04 -1.64 -0.33 0.00 0.00 177.00 175.42 2ibb s MET 579 N 4.43 3.57 0.12 5.54 -1.94 -1.26 -4.99 119.30 124.78 2ibb s MET 579 Ca 0.85 1.23 -0.31 0.00 -1.71 0.00 0.00 55.69 55.74 2ibb s MET 579 Cb -0.40 -2.07 -0.09 0.00 2.01 0.00 0.00 34.83 34.29 2ibb s MET 579 CO 0.38 -0.60 1.55 -2.14 -0.01 0.00 0.00 175.02 174.20 2ibb s PRO 580 N -3.78 4.23 -0.33 2.03 0.02 -1.26 -4.52 135.00 131.40 2ibb s PRO 580 Ca 0.64 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.76 2ibb s PRO 580 Cb -0.15 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 2ibb s PRO 580 CO 0.30 -0.61 0.52 0.08 -0.33 0.00 0.00 177.00 176.96 2ibb s VAL 581 N 1.62 5.02 0.64 3.83 1.01 -1.26 -4.11 120.40 127.16 2ibb s VAL 581 Ca 0.70 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 2ibb s VAL 581 Cb -0.41 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2ibb s VAL 581 CO 0.31 -0.15 1.10 -2.84 0.00 0.00 0.00 175.10 173.52 2ibb s PRO 582 N 2.41 2.93 -0.61 2.72 0.02 -1.26 -4.69 135.00 136.52 2ibb s PRO 582 Ca 0.20 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.44 2ibb s PRO 582 Cb -0.15 -1.97 0.16 0.00 0.02 0.00 0.00 34.50 32.55 2ibb s PRO 582 CO 0.12 -1.14 0.51 -1.21 -0.33 0.00 0.00 177.00 174.96 2ibb s GLU 583 N -4.11 2.93 -0.33 5.54 8.01 -0.58 -4.37 118.70 125.79 2ibb s GLU 583 Ca 0.66 -2.05 -0.28 0.00 0.01 0.00 0.00 54.97 53.31 2ibb s GLU 583 Cb -0.19 -4.13 -0.04 0.00 -4.31 0.00 0.00 34.13 25.45 2ibb s GLU 583 CO 0.41 -1.25 2.08 -1.17 0.01 0.00 0.00 175.26 175.33 2ibb s LEU 584 N 0.90 3.44 0.00 1.80 2.96 -1.26 -3.27 118.68 123.25 2ibb s LEU 584 Ca 0.10 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 2ibb s LEU 584 Cb -0.22 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2ibb s LEU 584 CO -0.02 -2.06 0.00 0.18 -1.32 0.00 0.00 176.35 173.13 2ibb n LEU 585 N 11.98 1.30 -3.74 -0.68 4.77 -0.66 -4.83 117.00 125.15 2ibb n LEU 585 Ca 0.28 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2ibb n LEU 585 Cb 0.48 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2ibb n LEU 585 CO 0.68 -0.22 0.05 -0.70 -1.33 0.00 0.00 177.39 175.87 2ibb s GLU 586 N -0.44 0.61 -0.47 3.23 2.56 -1.21 -5.01 118.70 117.97 2ibb s GLU 586 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 54.97 54.75 2ibb s GLU 586 Cb 0.00 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.42 2ibb s GLU 586 CO 0.00 -0.15 1.40 0.42 -0.56 0.00 0.00 175.26 176.37 2ibb s ILE 587 N -0.82 3.88 -0.67 -3.70 -1.09 -1.26 -2.99 121.20 114.55 2ibb s ILE 587 Ca -0.09 0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 58.94 2ibb s ILE 587 Cb -0.04 -4.31 0.05 0.00 -1.58 0.00 0.00 42.46 36.58 2ibb s ILE 587 CO 0.03 -0.92 1.10 -0.70 -1.23 0.00 0.00 174.94 173.22 2ibb s GLU 588 N 5.12 3.19 -1.07 2.79 2.12 0.78 -4.87 118.70 126.76 2ibb s GLU 588 Ca 0.57 -0.48 -0.24 0.00 0.36 0.00 0.00 54.97 55.19 2ibb s GLU 588 Cb -0.12 -4.18 -0.14 0.00 0.26 0.00 0.00 34.13 29.95 2ibb s GLU 588 CO 0.30 -1.90 1.96 0.39 -0.54 0.00 0.00 175.26 175.47 2ibb n GLU 589 N 8.37 1.19 0.16 4.30 1.02 -1.26 -1.49 120.64 132.93 2ibb n GLU 589 Ca 0.00 -2.17 0.01 0.00 -0.02 0.00 0.00 57.16 54.98 2ibb n GLU 589 Cb 0.47 -3.64 0.27 0.00 -0.02 0.00 0.00 31.44 28.52 2ibb n GLU 589 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2ibb h TYR 590 N 9.96 0.00 -2.50 -0.32 3.20 -1.90 -3.44 116.97 121.97 2ibb h TYR 590 Ca 0.19 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.21 2ibb h TYR 590 Cb 0.91 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 2ibb h TYR 590 CO 1.16 0.49 0.49 -1.54 -1.64 0.00 0.00 178.16 177.12 2ibb s SER 591 N -6.86 -0.09 0.36 -2.11 1.04 -0.83 -4.95 113.70 100.25 2ibb s SER 591 Ca -0.02 -0.59 0.25 0.00 0.48 0.00 0.00 55.95 56.07 2ibb s SER 591 Cb 0.13 0.54 1.30 0.00 0.10 0.00 0.00 66.02 68.10 2ibb s SER 591 CO 0.74 -1.03 1.76 -0.33 0.98 0.00 0.00 173.24 175.36 2ibb h GLU 592 N 2.00 0.00 0.00 4.02 3.07 -1.83 -1.71 114.58 120.12 2ibb h GLU 592 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2ibb h GLU 592 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2ibb h GLU 592 CO 0.31 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.17 2ibb n THR 593 N -2.37 0.03 -4.09 1.13 -2.24 -1.26 -3.43 114.28 102.05 2ibb n THR 593 Ca -0.01 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2ibb n THR 593 Cb 0.07 1.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 2ibb n THR 593 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ibb s ALA 594 N -0.03 0.58 0.05 6.98 0.00 -1.16 0.06 121.76 128.24 2ibb s ALA 594 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 2ibb s ALA 594 Cb 0.00 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2ibb s ALA 594 CO 0.00 -0.55 0.27 0.54 0.00 0.00 0.00 175.76 176.02 2ibb s VAL 595 N -4.03 0.10 -0.03 0.00 0.11 -1.00 -1.97 120.40 113.59 2ibb s VAL 595 Ca 0.22 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.54 2ibb s VAL 595 Cb 0.06 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2ibb s VAL 595 CO 0.02 -0.43 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.47 2ibb s VAL 596 N -2.77 1.57 -0.09 2.04 1.01 -0.55 -0.22 120.40 121.38 2ibb s VAL 596 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2ibb s VAL 596 Cb -0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2ibb s VAL 596 CO -0.05 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 174.97 2ibb s LEU 597 N -0.30 4.40 -0.02 3.92 1.43 -0.13 -0.15 118.68 127.82 2ibb s LEU 597 Ca 0.04 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2ibb s LEU 597 Cb -0.09 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 2ibb s LEU 597 CO 0.00 0.35 -0.15 -1.00 0.23 0.00 0.00 176.35 175.78 2ibb s HIS 598 N -0.87 1.42 0.25 0.29 3.76 -1.16 -1.89 115.29 117.08 2ibb s HIS 598 Ca 0.17 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.55 2ibb s HIS 598 Cb -0.13 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.65 2ibb s HIS 598 CO 0.06 -0.07 0.67 1.67 -0.85 0.00 0.00 174.74 176.22 2ibb s TRP 599 N -0.18 -0.25 0.29 1.40 -2.14 -0.89 -1.65 118.94 115.52 2ibb s TRP 599 Ca 0.02 -0.14 -0.04 0.00 2.66 0.00 0.00 56.10 58.60 2ibb s TRP 599 Cb -0.08 0.64 -0.01 0.00 -3.10 0.00 0.00 33.47 30.92 2ibb s TRP 599 CO 0.00 -1.12 0.39 0.45 -2.66 0.00 0.00 176.95 174.01 2ibb s SER 600 N -2.88 0.57 0.28 -2.66 0.15 -1.20 -4.77 113.70 103.19 2ibb s SER 600 Ca 0.09 -1.35 0.11 0.00 0.70 0.00 0.00 55.95 55.50 2ibb s SER 600 Cb -0.04 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 2ibb s SER 600 CO 0.02 -1.14 -0.15 -0.76 1.20 0.00 0.00 173.24 172.40 2ibb s LEU 601 N -3.18 2.72 0.38 3.45 1.43 -1.26 -1.52 118.68 120.71 2ibb s LEU 601 Ca 0.31 -0.96 0.20 0.00 -1.03 0.00 0.00 54.13 52.65 2ibb s LEU 601 Cb 0.01 -1.22 0.59 0.00 0.03 0.00 0.00 46.19 45.60 2ibb s LEU 601 CO 0.16 0.01 1.68 0.00 0.23 0.00 0.00 176.35 178.44 2ibb h ALA 602 N 2.17 0.91 -2.06 4.21 0.00 -1.99 -3.49 119.26 119.01 2ibb h ALA 602 Ca -0.41 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 2ibb h ALA 602 Cb 1.26 -0.05 -0.42 0.00 0.00 0.00 0.00 17.79 18.58 2ibb h ALA 602 CO 0.61 0.41 -0.73 1.58 0.00 0.00 0.00 179.25 181.11 2ibb n HIS 608 N -3.35 3.47 1.32 0.00 -0.00 -1.26 -5.20 115.22 110.20 2ibb n HIS 608 Ca 0.01 -3.76 0.13 0.00 0.46 0.00 0.00 57.72 54.56 2ibb n HIS 608 Cb 0.54 -0.39 0.43 0.00 -0.12 0.00 0.00 29.99 30.44 2ibb n HIS 608 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2ibb n LEU 609 N -0.24 1.14 -4.89 0.27 4.77 -1.26 -4.80 117.00 111.98 2ibb n LEU 609 Ca 0.31 -0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2ibb n LEU 609 Cb 0.49 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2ibb n LEU 609 CO 0.32 0.21 -0.13 -0.63 -1.33 0.00 0.00 177.39 175.82 2ibb s ILE 610 N -2.36 5.42 -0.05 -0.08 1.01 -1.26 -4.53 121.20 119.35 2ibb s ILE 610 Ca 0.28 0.02 0.11 0.00 0.00 0.00 0.00 60.65 61.07 2ibb s ILE 610 Cb 0.20 -3.51 -0.17 0.00 0.01 0.00 0.00 42.46 38.99 2ibb s ILE 610 CO 0.46 0.41 0.18 0.41 0.00 0.00 0.00 174.94 176.41 2ibb n THR 611 N 1.25 0.27 -1.52 2.92 -1.04 -0.05 -4.43 114.28 111.69 2ibb n THR 611 Ca -0.13 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2ibb n THR 611 Cb 0.53 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2ibb n THR 611 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ibb n GLY 612 N 2.00 -0.57 3.08 3.41 0.00 -1.22 -0.59 105.19 111.31 2ibb n GLY 612 Ca -0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2ibb n GLY 612 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ibb s TYR 613 N -3.58 0.28 -0.21 1.61 2.02 0.37 -2.16 117.35 115.68 2ibb s TYR 613 Ca 0.00 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 56.03 2ibb s TYR 613 Cb 0.00 -0.21 -0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2ibb s TYR 613 CO 0.00 -0.34 -0.07 0.71 -1.57 0.00 0.00 175.55 174.28 2ibb s TYR 614 N -2.71 2.92 -0.08 2.71 4.12 0.31 -0.83 117.35 123.79 2ibb s TYR 614 Ca -0.04 -1.01 -0.12 0.00 0.02 0.00 0.00 57.07 55.92 2ibb s TYR 614 Cb -0.01 -2.06 -0.05 0.00 -1.52 0.00 0.00 41.96 38.33 2ibb s TYR 614 CO -0.05 -0.55 0.28 0.00 0.02 0.00 0.00 175.55 175.25 2ibb s ALA 615 N 1.35 3.74 -0.11 3.71 0.00 -0.18 -2.36 121.76 127.91 2ibb s ALA 615 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.60 2ibb s ALA 615 Cb -0.14 -2.24 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 2ibb s ALA 615 CO -0.04 0.44 -0.22 0.71 0.00 0.00 0.00 175.76 176.65 2ibb s TYR 616 N -0.69 2.62 0.08 0.00 4.12 -0.72 -2.55 117.35 120.21 2ibb s TYR 616 Ca 0.19 -1.01 -0.10 0.00 0.02 0.00 0.00 57.07 56.17 2ibb s TYR 616 Cb -0.14 -1.75 0.00 0.00 -1.52 0.00 0.00 41.96 38.56 2ibb s TYR 616 CO 0.08 -0.41 0.22 1.52 0.02 0.00 0.00 175.55 176.98 2ibb s TYR 617 N 0.40 0.08 -0.19 2.71 -0.85 -0.84 -1.95 117.35 116.72 2ibb s TYR 617 Ca -0.16 -0.46 -0.34 0.00 -0.52 0.00 0.00 57.07 55.59 2ibb s TYR 617 Cb -0.17 -0.01 0.14 0.00 0.38 0.00 0.00 41.96 42.30 2ibb s TYR 617 CO 0.07 -0.55 1.19 -0.98 -1.52 0.00 0.00 175.55 173.77 2ibb s ARG 618 N -3.64 0.33 0.14 -3.49 1.70 -1.02 -0.52 118.95 112.45 2ibb s ARG 618 Ca 0.03 -0.10 -0.31 0.00 -0.47 0.00 0.00 55.73 54.88 2ibb s ARG 618 Cb 0.04 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 2ibb s ARG 618 CO -0.10 -0.14 1.77 -2.14 -1.08 0.00 0.00 175.30 173.62 2ibb s PRO 619 N -2.26 4.15 0.44 3.89 0.02 -1.26 0.23 135.00 140.20 2ibb s PRO 619 Ca 0.08 2.55 0.27 0.00 0.02 0.00 0.00 61.00 63.93 2ibb s PRO 619 Cb -0.01 -3.47 1.33 0.00 0.02 0.00 0.00 34.50 32.37 2ibb s PRO 619 CO -0.05 -0.80 1.69 0.77 -0.33 0.00 0.00 177.00 178.28 2ibb h SER 620 N 8.12 0.29 -1.58 2.53 0.02 -0.75 -2.68 113.55 119.50 2ibb h SER 620 Ca -0.45 0.10 -0.76 0.00 -0.84 0.00 0.00 61.79 59.85 2ibb h SER 620 Cb 1.21 0.07 -0.16 0.00 0.14 0.00 0.00 62.40 63.66 2ibb h SER 620 CO 0.95 -0.07 1.86 -1.54 -1.14 0.00 0.00 176.83 176.89 2ibb n SER 621 N -4.61 5.19 0.00 3.07 3.41 -1.26 -4.72 113.62 114.71 2ibb n SER 621 Ca 0.32 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2ibb n SER 621 Cb 1.24 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2ibb n SER 621 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ibb n SER 622 N 3.88 0.00 -3.09 4.04 3.41 -1.01 -5.17 113.62 115.68 2ibb n SER 622 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2ibb n SER 622 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2ibb n SER 622 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ibb n ALA 623 N 0.00 0.00 0.00 7.33 0.00 -1.26 -4.77 120.51 121.81 2ibb n ALA 623 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ibb n ALA 623 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ibb n ALA 623 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ibb n GLY 624 N 0.94 1.03 3.87 0.00 0.00 -1.26 -4.98 105.19 104.79 2ibb n GLY 624 Ca 0.00 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 2ibb n GLY 624 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ibb s GLU 625 N 0.00 3.60 0.15 1.61 2.56 -1.26 -5.11 118.70 120.25 2ibb s GLU 625 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.97 54.85 2ibb s GLU 625 Cb 0.00 -3.13 -0.07 0.00 2.00 0.00 0.00 34.13 32.93 2ibb s GLU 625 CO 0.00 0.69 0.50 0.71 -0.56 0.00 0.00 175.26 176.59 2ibb s TYR 626 N -1.19 3.54 0.42 5.30 1.51 -1.26 -4.93 117.35 120.74 2ibb s TYR 626 Ca 0.24 0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 56.97 2ibb s TYR 626 Cb -0.13 -2.26 -0.10 0.00 -0.11 0.00 0.00 41.96 39.36 2ibb s TYR 626 CO 0.12 0.41 0.99 -0.06 -1.11 0.00 0.00 175.55 175.91 2ibb s PHE 627 N -1.55 3.28 0.20 2.71 0.40 0.33 -4.84 117.98 118.50 2ibb s PHE 627 Ca 0.39 1.64 0.10 0.00 -0.60 0.00 0.00 56.93 58.46 2ibb s PHE 627 Cb -0.13 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.37 2ibb s PHE 627 CO 0.20 -0.36 -0.20 0.15 0.70 0.00 0.00 175.22 175.71 2ibb s LYS 628 N -2.87 1.43 -0.19 0.44 3.01 -1.26 -1.98 119.74 118.32 2ibb s LYS 628 Ca 0.61 -1.54 -0.16 0.00 -1.01 0.00 0.00 55.97 53.87 2ibb s LYS 628 Cb -0.15 -1.54 0.05 0.00 -1.01 0.00 0.00 37.83 35.18 2ibb s LYS 628 CO 0.20 0.31 0.49 0.00 0.51 0.00 0.00 175.35 176.85 2ibb s ALA 629 N -2.14 -1.22 -0.10 5.17 0.00 -1.06 -4.52 121.76 117.90 2ibb s ALA 629 Ca 0.21 1.45 -0.06 0.00 0.00 0.00 0.00 51.96 53.56 2ibb s ALA 629 Cb -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2ibb s ALA 629 CO 0.09 -0.24 0.15 0.99 0.00 0.00 0.00 175.76 176.75 2ibb s THR 630 N 0.48 5.48 -0.23 0.00 2.01 -1.26 -1.01 115.64 121.11 2ibb s THR 630 Ca -0.02 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2ibb s THR 630 Cb -0.04 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.08 2ibb s THR 630 CO -0.02 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.73 2ibb s ILE 631 N -1.08 2.42 -0.07 1.82 1.01 -0.01 -4.98 121.20 120.30 2ibb s ILE 631 Ca 0.17 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 2ibb s ILE 631 Cb -0.12 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2ibb s ILE 631 CO 0.07 0.23 0.52 -0.70 0.00 0.00 0.00 174.94 175.05 2ibb s GLU 632 N 1.25 4.30 0.00 2.79 2.56 -1.26 -0.48 118.70 127.86 2ibb s GLU 632 Ca -0.01 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.51 2ibb s GLU 632 Cb -0.17 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2ibb s GLU 632 CO -0.07 0.25 0.00 0.41 -0.56 0.00 0.00 175.26 175.29 2ibb n GLY 633 N 2.91 2.04 0.26 -1.50 0.00 0.24 -4.80 105.19 104.34 2ibb n GLY 633 Ca -0.07 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.71 2ibb n GLY 633 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ibb h ALA 634 N 0.00 1.62 -0.91 4.61 0.00 -1.77 -3.12 119.26 119.68 2ibb h ALA 634 Ca 0.00 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 2ibb h ALA 634 Cb 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.49 2ibb h ALA 634 CO 0.00 0.11 0.57 0.72 0.00 0.00 0.00 179.25 180.65 2ibb n HIS 635 N -4.09 2.86 -2.97 0.00 8.25 -1.26 -4.85 115.22 113.16 2ibb n HIS 635 Ca -0.03 -2.16 -0.40 0.00 -0.26 0.00 0.00 57.72 54.88 2ibb n HIS 635 Cb 0.17 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.22 2ibb n HIS 635 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ibb s ALA 636 N -3.45 3.39 0.00 -1.41 0.00 -1.18 -4.92 121.76 114.19 2ibb s ALA 636 Ca 0.57 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2ibb s ALA 636 Cb 0.48 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2ibb s ALA 636 CO 0.06 0.13 0.86 0.54 0.00 0.00 0.00 175.76 177.34 2ibb n ARG 637 N 2.47 2.14 -3.44 0.00 5.12 -1.26 -5.02 116.66 116.67 2ibb n ARG 637 Ca -0.03 -1.22 -0.12 0.00 -1.93 0.00 0.00 57.85 54.55 2ibb n ARG 637 Cb 0.50 -0.89 -0.02 0.00 -1.16 0.00 0.00 32.46 30.88 2ibb n ARG 637 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2ibb s SER 638 N -0.73 -0.53 -0.28 0.55 1.04 -1.25 -2.10 113.70 110.40 2ibb s SER 638 Ca 0.00 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 2ibb s SER 638 Cb 0.00 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.79 2ibb s SER 638 CO 0.00 -0.96 0.72 0.12 0.98 0.00 0.00 173.24 174.11 2ibb s PHE 639 N -3.75 -0.99 -0.18 5.02 5.36 -0.79 -4.93 117.98 117.71 2ibb s PHE 639 Ca 0.01 2.02 -0.21 0.00 -0.96 0.00 0.00 56.93 57.79 2ibb s PHE 639 Cb -0.01 0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 43.22 2ibb s PHE 639 CO -0.13 -0.49 0.64 0.21 -1.46 0.00 0.00 175.22 173.99 2ibb s LYS 640 N 1.49 4.25 -0.38 10.12 2.20 -1.26 -0.96 119.74 135.19 2ibb s LYS 640 Ca -0.09 0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 56.07 2ibb s LYS 640 Cb -0.05 -3.56 0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2ibb s LYS 640 CO -0.18 -0.19 0.21 0.42 -0.36 0.00 0.00 175.35 175.26 2ibb s ILE 641 N 1.73 4.42 -0.05 5.43 1.01 0.69 -4.97 121.20 129.45 2ibb s ILE 641 Ca 0.30 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 2ibb s ILE 641 Cb -0.16 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2ibb s ILE 641 CO 0.11 -0.31 0.45 0.00 0.00 0.00 0.00 174.94 175.19 2ibb s ALA 642 N 1.51 -1.15 0.23 9.38 0.00 -1.26 -2.37 121.76 128.09 2ibb s ALA 642 Ca 0.02 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2ibb s ALA 642 Cb -0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.77 2ibb s ALA 642 CO 0.05 -0.29 0.68 -1.25 0.00 0.00 0.00 175.76 174.95 2ibb s PRO 643 N -1.07 4.11 0.05 0.00 0.04 -1.26 -4.68 135.00 132.20 2ibb s PRO 643 Ca -0.11 0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.69 2ibb s PRO 643 Cb -0.03 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 2ibb s PRO 643 CO 0.06 0.36 -0.13 -0.51 0.04 0.00 0.00 177.00 176.81 2ibb s LEU 644 N -2.23 2.22 0.40 -3.56 1.43 0.11 -5.02 118.68 112.04 2ibb s LEU 644 Ca 0.44 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 2ibb s LEU 644 Cb -0.15 -0.51 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 2ibb s LEU 644 CO 0.20 -0.04 1.40 -1.61 0.23 0.00 0.00 176.35 176.53 2ibb s GLU 645 N -1.40 3.97 0.63 1.70 0.41 -1.26 -4.31 118.70 118.43 2ibb s GLU 645 Ca -0.01 2.38 -0.18 0.00 -0.41 0.00 0.00 54.97 56.76 2ibb s GLU 645 Cb -0.09 -2.83 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 2ibb s GLU 645 CO 0.02 -0.58 1.21 0.99 -0.49 0.00 0.00 175.26 176.41 2ibb s THR 646 N -1.18 2.56 -0.78 3.63 2.01 -1.22 -3.11 115.64 117.54 2ibb s THR 646 Ca 0.56 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.81 2ibb s THR 646 Cb -0.43 -3.05 0.07 0.00 0.01 0.00 0.00 72.50 69.10 2ibb s THR 646 CO 0.56 -0.10 0.22 0.00 -0.69 0.00 0.00 174.62 174.62 2ibb n ALA 647 N -1.91 -1.03 -2.54 7.40 0.00 -1.13 -4.91 120.51 116.40 2ibb n ALA 647 Ca 0.14 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2ibb n ALA 647 Cb 0.50 -1.49 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 2ibb n ALA 647 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ibb s THR 648 N -2.52 2.60 -0.14 0.00 2.01 -1.18 -4.87 115.64 111.54 2ibb s THR 648 Ca 0.26 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 2ibb s THR 648 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2ibb s THR 648 CO 0.32 0.58 0.44 -0.32 -0.69 0.00 0.00 174.62 174.94 2ibb s MET 649 N -0.49 4.30 0.35 4.92 -2.45 -1.26 -1.78 119.30 122.90 2ibb s MET 649 Ca 0.06 0.36 0.09 0.00 -1.25 0.00 0.00 55.69 54.95 2ibb s MET 649 Cb -0.12 -3.45 -0.06 0.00 1.25 0.00 0.00 34.83 32.45 2ibb s MET 649 CO 0.01 0.13 -0.06 0.71 1.05 0.00 0.00 175.02 176.87 2ibb s TYR 650 N 0.72 2.45 -0.07 4.11 1.51 0.15 -0.10 117.35 126.12 2ibb s TYR 650 Ca 0.24 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2ibb s TYR 650 Cb -0.15 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2ibb s TYR 650 CO 0.09 0.54 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.73 2ibb s GLU 651 N -3.65 2.75 -0.01 -0.62 2.02 0.14 -1.21 118.70 118.12 2ibb s GLU 651 Ca 0.33 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2ibb s GLU 651 Cb 0.03 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2ibb s GLU 651 CO 0.17 0.53 -0.05 -0.06 0.02 0.00 0.00 175.26 175.87 2ibb s PHE 652 N -0.47 0.54 0.15 1.61 0.40 0.16 -2.43 117.98 117.94 2ibb s PHE 652 Ca 0.06 -0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2ibb s PHE 652 Cb -0.12 -0.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 2ibb s PHE 652 CO 0.02 -0.04 0.05 -1.59 0.70 0.00 0.00 175.22 174.36 2ibb s LYS 653 N 0.08 1.02 0.02 0.44 -2.85 -0.82 0.50 119.74 118.13 2ibb s LYS 653 Ca -0.01 -1.49 -0.05 0.00 -1.00 0.00 0.00 55.97 53.42 2ibb s LYS 653 Cb -0.05 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 2ibb s LYS 653 CO -0.00 -0.24 0.09 -1.17 0.10 0.00 0.00 175.35 174.13 2ibb s LEU 654 N -3.10 1.77 0.01 2.77 2.96 -1.26 -1.76 118.68 120.07 2ibb s LEU 654 Ca 0.26 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 2ibb s LEU 654 Cb 0.07 0.56 0.00 0.00 0.50 0.00 0.00 46.19 47.32 2ibb s LEU 654 CO 0.04 -0.43 0.17 0.00 -1.32 0.00 0.00 176.35 174.81 2ibb s GLN 655 N -1.99 0.56 0.31 1.98 -2.07 -1.00 -0.27 119.66 117.19 2ibb s GLN 655 Ca -0.10 -0.46 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 2ibb s GLN 655 Cb -0.05 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 2ibb s GLN 655 CO -0.02 -0.15 0.48 -1.54 -1.32 0.00 0.00 175.29 172.75 2ibb s SER 656 N -1.60 6.31 0.10 12.60 1.04 -1.26 -0.53 113.70 130.36 2ibb s SER 656 Ca -0.12 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.55 2ibb s SER 656 Cb -0.05 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2ibb s SER 656 CO 0.00 -0.21 0.24 0.72 0.98 0.00 0.00 173.24 174.97 2ibb s PHE 657 N -2.19 0.10 0.33 5.02 -0.12 -0.92 -0.20 117.98 120.00 2ibb s PHE 657 Ca 0.38 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.78 2ibb s PHE 657 Cb -0.09 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 2ibb s PHE 657 CO 0.33 -0.59 0.35 -1.54 -0.05 0.00 0.00 175.22 173.72 2ibb s SER 658 N -2.86 1.26 0.11 1.98 1.04 -0.22 -0.87 113.70 114.14 2ibb s SER 658 Ca 0.06 -1.62 -0.18 0.00 0.48 0.00 0.00 55.95 54.68 2ibb s SER 658 Cb 0.04 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 2ibb s SER 658 CO -0.10 -1.14 1.67 0.00 0.98 0.00 0.00 173.24 174.64 2ibb h ALA 659 N 2.16 0.37 0.00 5.32 0.00 -1.90 -3.20 119.26 122.01 2ibb h ALA 659 Ca -0.27 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2ibb h ALA 659 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ibb h ALA 659 CO 0.38 -0.05 -0.33 0.00 0.00 0.00 0.00 179.25 179.25 2ibb h ALA 660 N 0.97 1.36 -1.19 0.00 0.00 -1.92 -2.00 119.26 116.47 2ibb h ALA 660 Ca 0.10 -0.30 0.36 0.00 0.00 0.00 0.00 54.91 55.06 2ibb h ALA 660 Cb 0.16 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.76 2ibb h ALA 660 CO -0.01 0.42 0.93 -1.54 0.00 0.00 0.00 179.25 179.05 2ibb s SER 661 N -6.81 -0.03 0.13 0.00 1.04 -1.21 -4.56 113.70 102.27 2ibb s SER 661 Ca -0.03 -0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.44 2ibb s SER 661 Cb 0.14 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2ibb s SER 661 CO 0.71 -0.12 -0.16 0.00 0.98 0.00 0.00 173.24 174.65 2ibb s ALA 662 N -2.18 2.77 1.12 5.32 0.00 -1.04 -1.05 121.76 126.70 2ibb s ALA 662 Ca 0.14 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 2ibb s ALA 662 Cb 0.06 -0.68 0.26 0.00 0.00 0.00 0.00 23.12 22.75 2ibb s ALA 662 CO -0.05 0.56 1.20 -1.13 0.00 0.00 0.00 175.76 176.34 2ibb n SER 663 N 0.59 -0.93 -4.85 0.00 3.41 0.72 -4.72 113.62 107.84 2ibb n SER 663 Ca -0.14 -1.32 -0.32 0.00 -0.26 0.00 0.00 58.87 56.83 2ibb n SER 663 Cb 0.53 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 2ibb n SER 663 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ibb s GLU 664 N -5.65 3.91 0.66 4.33 2.56 -1.26 -4.67 118.70 118.57 2ibb s GLU 664 Ca 0.72 0.88 -0.16 0.00 0.00 0.00 0.00 54.97 56.41 2ibb s GLU 664 Cb -0.04 -2.16 0.00 0.00 2.00 0.00 0.00 34.13 33.92 2ibb s GLU 664 CO 0.53 -0.26 1.14 -0.06 -0.56 0.00 0.00 175.26 176.05 2ibb s PHE 665 N -2.63 2.48 0.41 5.30 0.40 -1.26 -4.66 117.98 118.02 2ibb s PHE 665 Ca 0.58 1.56 -0.06 0.00 -0.60 0.00 0.00 56.93 58.41 2ibb s PHE 665 Cb -0.10 -3.27 0.09 0.00 0.51 0.00 0.00 43.02 40.25 2ibb s PHE 665 CO 0.33 -1.92 0.55 -1.13 0.70 0.00 0.00 175.22 173.75 2ibb n SER 666 N -2.33 0.17 -4.76 1.36 3.41 0.63 -4.93 113.62 107.16 2ibb n SER 666 Ca 0.11 -1.27 -0.36 0.00 -0.26 0.00 0.00 58.87 57.09 2ibb n SER 666 Cb 0.51 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2ibb n SER 666 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ibb s ALA 667 N -3.76 2.75 -0.47 7.33 0.00 -1.26 -4.59 121.76 121.76 2ibb s ALA 667 Ca 0.32 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 53.00 2ibb s ALA 667 Cb -0.01 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2ibb s ALA 667 CO 0.22 -0.92 0.93 -1.17 0.00 0.00 0.00 175.76 174.83 2ibb s LEU 668 N -3.61 4.00 -0.02 0.00 2.96 -1.26 -4.47 118.68 116.28 2ibb s LEU 668 Ca 0.71 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 2ibb s LEU 668 Cb -0.29 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2ibb s LEU 668 CO 0.33 -1.08 0.10 -0.54 -1.32 0.00 0.00 176.35 173.84 2ibb s LYS 669 N 3.81 3.16 -0.04 1.98 -0.14 0.18 -4.85 119.74 123.83 2ibb s LYS 669 Ca 0.37 -0.42 -0.09 0.00 -1.36 0.00 0.00 55.97 54.47 2ibb s LYS 669 Cb -0.10 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 2ibb s LYS 669 CO 0.26 0.67 0.26 -0.65 -0.76 0.00 0.00 175.35 175.13 2ibb s GLN 670 N -1.64 3.62 -0.13 1.68 -1.52 -1.26 0.39 119.66 120.80 2ibb s GLN 670 Ca 0.22 0.04 -0.17 0.00 -1.95 0.00 0.00 55.36 53.50 2ibb s GLN 670 Cb -0.12 -3.16 0.04 0.00 -0.22 0.00 0.00 33.01 29.56 2ibb s GLN 670 CO 0.13 0.71 0.45 0.20 -0.25 0.00 0.00 175.29 176.53 2ibb s GLY 671 N -1.28 -0.33 -0.03 3.09 0.00 -0.35 -4.86 107.32 103.56 2ibb s GLY 671 Ca 0.22 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.12 2ibb s GLY 671 CO 0.11 0.91 -0.22 -1.60 0.00 0.00 0.00 173.10 172.29 2ibb s ARG 672 N -0.20 2.28 0.50 2.90 3.52 -1.26 0.32 118.95 127.00 2ibb s ARG 672 Ca -0.04 -0.86 -0.20 0.00 -0.13 0.00 0.00 55.73 54.50 2ibb s ARG 672 Cb -0.03 -2.15 -0.08 0.00 -1.56 0.00 0.00 34.95 31.12 2ibb s ARG 672 CO 0.02 0.56 1.05 0.95 -0.81 0.00 0.00 175.30 177.07 2ibb s THR 673 N -0.59 3.68 0.78 4.11 -4.23 -0.73 -4.68 115.64 113.97 2ibb s THR 673 Ca 0.09 1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 61.51 2ibb s THR 673 Cb -0.11 -3.42 0.07 0.00 1.34 0.00 0.00 72.50 70.38 2ibb s THR 673 CO -0.00 -0.23 1.18 -1.10 -0.54 0.00 0.00 174.62 173.93 2ibb s GLN 674 N -3.25 1.89 0.00 3.99 -0.21 -0.65 -3.19 119.66 118.23 2ibb s GLN 674 Ca 0.68 1.65 0.00 0.00 0.02 0.00 0.00 55.36 57.71 2ibb s GLN 674 Cb -0.18 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.02 2ibb s GLN 674 CO 0.21 -2.00 0.00 0.54 -2.12 0.00 0.00 175.29 171.92 2ibb n ARG 675 N -3.15 0.45 0.00 2.91 1.74 -1.26 -2.84 116.66 114.51 2ibb n ARG 675 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2ibb n ARG 675 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2ibb n ARG 675 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81