#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii5 n TRP 449 N 0.00 0.00 -2.35 -0.67 7.02 -1.26 -5.03 117.44 115.15 3ii5 n TRP 449 Ca 0.00 -0.61 -0.41 0.00 -1.02 0.00 0.00 57.50 55.46 3ii5 n TRP 449 Cb 0.00 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 28.78 3ii5 n TRP 449 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3ii5 s GLU 450 N -1.51 4.52 -0.35 -0.99 2.12 -1.26 -1.91 118.70 119.32 3ii5 s GLU 450 Ca 0.11 1.94 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 3ii5 s GLU 450 Cb 0.09 -3.18 0.06 0.00 0.26 0.00 0.00 34.13 31.37 3ii5 s GLU 450 CO 0.01 0.00 0.10 0.42 -0.54 0.00 0.00 175.26 175.25 3ii5 s ILE 451 N -0.76 3.34 0.50 -3.70 1.01 0.14 -4.89 121.20 116.83 3ii5 s ILE 451 Ca 0.49 -1.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 3ii5 s ILE 451 Cb -0.34 -3.02 -0.11 0.00 0.01 0.00 0.00 42.46 39.00 3ii5 s ILE 451 CO 0.42 -0.30 0.46 -2.65 0.00 0.00 0.00 174.94 172.87 3ii5 n PRO 452 N 4.68 0.49 -1.16 2.79 -0.02 -1.26 -4.61 135.00 135.91 3ii5 n PRO 452 Ca -0.10 0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 3ii5 n PRO 452 Cb 0.43 -1.54 0.11 0.00 -0.02 0.00 0.00 33.50 32.48 3ii5 n PRO 452 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ii5 s ASP 453 N -1.05 4.02 0.00 2.55 2.15 -1.26 -3.41 116.67 119.67 3ii5 s ASP 453 Ca 0.65 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.67 3ii5 s ASP 453 Cb -0.52 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.55 3ii5 s ASP 453 CO 0.57 -2.37 0.00 0.61 -0.17 0.00 0.00 175.17 173.82 3ii5 n GLY 454 N -0.43 2.90 0.13 2.66 0.00 -1.26 -4.87 105.19 104.31 3ii5 n GLY 454 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3ii5 n GLY 454 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ii5 h GLN 455 N 0.32 0.33 -6.04 1.61 4.20 -1.92 -3.43 115.11 110.18 3ii5 h GLN 455 Ca 0.00 -0.22 -0.57 0.00 0.06 0.00 0.00 58.65 57.91 3ii5 h GLN 455 Cb 0.00 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3ii5 h GLN 455 CO 0.00 0.82 0.47 0.42 -0.67 0.00 0.00 178.83 179.87 3ii5 s ILE 456 N -3.94 4.84 -0.79 2.54 1.01 -1.26 -4.72 121.20 118.87 3ii5 s ILE 456 Ca -0.14 1.77 -0.14 0.00 0.00 0.00 0.00 60.65 62.14 3ii5 s ILE 456 Cb 0.04 -4.20 0.21 0.00 0.01 0.00 0.00 42.46 38.52 3ii5 s ILE 456 CO 0.76 0.00 0.74 -0.89 0.00 0.00 0.00 174.94 175.55 3ii5 s THR 457 N 2.19 5.56 0.25 2.92 2.01 -0.68 -4.93 115.64 122.96 3ii5 s THR 457 Ca 0.41 -2.37 -0.31 0.00 0.31 0.00 0.00 61.69 59.74 3ii5 s THR 457 Cb -0.17 -4.45 -0.11 0.00 0.01 0.00 0.00 72.50 67.78 3ii5 s THR 457 CO 0.13 -1.01 1.61 -0.69 -0.69 0.00 0.00 174.62 173.98 3ii5 s VAL 458 N 0.32 2.18 0.00 3.82 1.01 -1.26 -2.23 120.40 124.25 3ii5 s VAL 458 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3ii5 s VAL 458 Cb -0.12 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3ii5 s VAL 458 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3ii5 n GLY 459 N 2.92 2.50 3.76 4.51 0.00 0.17 -4.97 105.19 114.08 3ii5 n GLY 459 Ca 0.11 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 3ii5 n GLY 459 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ii5 s GLN 460 N 4.44 4.60 0.64 1.61 0.74 -1.23 -4.68 119.66 125.77 3ii5 s GLN 460 Ca 0.00 1.63 -0.18 0.00 0.05 0.00 0.00 55.36 56.86 3ii5 s GLN 460 Cb 0.00 -3.05 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 3ii5 s GLN 460 CO 0.00 0.22 1.23 0.50 -0.55 0.00 0.00 175.29 176.70 3ii5 s ARG 461 N -1.64 2.67 0.00 1.67 3.52 -1.26 -1.57 118.95 122.34 3ii5 s ARG 461 Ca 0.47 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 3ii5 s ARG 461 Cb -0.27 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 3ii5 s ARG 461 CO 0.35 -1.46 0.00 -0.89 -0.81 0.00 0.00 175.30 172.49 3ii5 n ILE 462 N -1.94 0.00 -3.61 4.11 2.08 0.39 -4.84 119.36 115.54 3ii5 n ILE 462 Ca 0.14 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.38 3ii5 n ILE 462 Cb 0.49 -0.56 -0.05 0.00 -0.75 0.00 0.00 39.64 38.77 3ii5 n ILE 462 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3ii5 s GLY 463 N -2.21 -0.10 0.09 7.39 0.00 -1.19 -5.02 107.32 106.28 3ii5 s GLY 463 Ca 0.00 2.49 0.06 0.00 0.00 0.00 0.00 44.72 47.27 3ii5 s GLY 463 CO 0.00 1.28 -0.15 -0.56 0.00 0.00 0.00 173.10 173.67 3ii5 s SER 464 N -0.74 1.87 0.22 1.64 0.01 -1.26 -1.95 113.70 113.48 3ii5 s SER 464 Ca 0.03 -0.68 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 3ii5 s SER 464 Cb -0.02 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3ii5 s SER 464 CO -0.04 -0.08 0.39 0.61 0.41 0.00 0.00 173.24 174.53 3ii5 n GLY 465 N 1.03 1.82 1.14 3.44 0.00 -1.07 -4.96 105.19 106.60 3ii5 n GLY 465 Ca -0.19 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 44.61 3ii5 n GLY 465 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ii5 n SER 466 N -1.50 3.32 -1.87 1.61 7.64 0.08 -3.91 113.62 119.00 3ii5 n SER 466 Ca -0.03 -2.26 0.02 0.00 1.01 0.00 0.00 58.87 57.61 3ii5 n SER 466 Cb 0.34 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 3ii5 n SER 466 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ii5 n PHE 467 N 0.75 0.26 0.00 1.43 0.99 0.17 -4.90 117.46 116.16 3ii5 n PHE 467 Ca 0.18 -1.00 0.00 0.00 -0.00 0.00 0.00 57.45 56.63 3ii5 n PHE 467 Cb 0.62 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 39.06 3ii5 n PHE 467 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ii5 n GLY 468 N 0.07 3.54 3.41 1.37 0.00 -1.25 -4.86 105.19 107.46 3ii5 n GLY 468 Ca 0.02 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 3ii5 n GLY 468 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ii5 s THR 469 N -2.22 1.88 -0.04 2.61 2.01 0.20 -2.59 115.64 117.49 3ii5 s THR 469 Ca 0.00 -2.22 0.01 0.00 0.31 0.00 0.00 61.69 59.79 3ii5 s THR 469 Cb 0.00 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.27 3ii5 s THR 469 CO 0.00 -0.44 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.74 3ii5 s VAL 470 N -2.87 0.61 0.23 3.82 1.01 -0.82 0.65 120.40 123.02 3ii5 s VAL 470 Ca 0.27 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.15 3ii5 s VAL 470 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3ii5 s VAL 470 CO 0.11 0.23 -0.14 -0.31 0.00 0.00 0.00 175.10 174.99 3ii5 s TYR 471 N 0.79 1.84 -0.28 5.22 1.51 -0.24 -0.46 117.35 125.73 3ii5 s TYR 471 Ca -0.11 -0.54 -0.22 0.00 -1.01 0.00 0.00 57.07 55.19 3ii5 s TYR 471 Cb -0.14 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 3ii5 s TYR 471 CO 0.01 0.41 0.70 0.21 -1.11 0.00 0.00 175.55 175.77 3ii5 s LYS 472 N -3.63 4.04 0.51 -0.62 2.20 -0.61 -1.44 119.74 120.18 3ii5 s LYS 472 Ca 0.25 0.56 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 3ii5 s LYS 472 Cb -0.01 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 3ii5 s LYS 472 CO 0.09 -0.54 0.01 0.20 -0.36 0.00 0.00 175.35 174.76 3ii5 s GLY 473 N 1.53 2.98 -0.16 5.54 0.00 0.48 -0.66 107.32 117.03 3ii5 s GLY 473 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3ii5 s GLY 473 CO 0.10 -2.19 -0.09 0.54 0.00 0.00 0.00 173.10 171.47 3ii5 s LYS 474 N -3.88 1.78 -0.32 2.90 -0.14 -0.94 -1.60 119.74 117.53 3ii5 s LYS 474 Ca 0.08 -0.56 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 3ii5 s LYS 474 Cb 0.02 -2.06 0.18 0.00 -1.68 0.00 0.00 37.83 34.29 3ii5 s LYS 474 CO 0.04 -0.36 0.51 -0.46 -0.76 0.00 0.00 175.35 174.32 3ii5 s TRP 475 N 1.56 -1.37 -1.47 3.18 -0.00 -1.26 -1.69 118.94 117.89 3ii5 s TRP 475 Ca 0.02 0.47 -0.11 0.00 -0.00 0.00 0.00 56.10 56.48 3ii5 s TRP 475 Cb -0.15 0.07 0.05 0.00 -0.00 0.00 0.00 33.47 33.45 3ii5 s TRP 475 CO -0.09 -1.06 0.99 0.72 -0.00 0.00 0.00 176.95 177.52 3ii5 n HIS 476 N 5.10 -2.44 0.00 5.86 8.25 -1.26 -4.69 115.22 126.04 3ii5 n HIS 476 Ca 0.05 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 3ii5 n HIS 476 Cb 0.52 -4.32 0.00 0.00 1.12 0.00 0.00 29.99 27.31 3ii5 n HIS 476 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ii5 n GLY 477 N -1.75 -0.03 3.72 -1.41 0.00 -1.26 -5.04 105.19 99.42 3ii5 n GLY 477 Ca 0.01 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 3ii5 n GLY 477 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ii5 s ASP 478 N -2.81 6.99 0.11 1.61 1.01 -1.26 -4.32 116.67 117.99 3ii5 s ASP 478 Ca 0.00 2.15 -0.00 0.00 0.71 0.00 0.00 52.55 55.41 3ii5 s ASP 478 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3ii5 s ASP 478 CO 0.00 -0.53 0.01 0.68 0.21 0.00 0.00 175.17 175.54 3ii5 s VAL 479 N 0.97 0.34 -0.17 -1.27 -7.23 -0.63 -3.30 120.40 109.10 3ii5 s VAL 479 Ca 0.60 -1.90 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 3ii5 s VAL 479 Cb -0.32 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3ii5 s VAL 479 CO 0.30 -0.66 0.03 0.00 -0.31 0.00 0.00 175.10 174.46 3ii5 s ALA 480 N -3.87 3.28 -0.20 1.32 0.00 -0.44 -0.39 121.76 121.46 3ii5 s ALA 480 Ca 0.18 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3ii5 s ALA 480 Cb 0.07 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 3ii5 s ALA 480 CO -0.02 0.22 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 3ii5 s VAL 481 N 0.29 3.04 -0.31 0.00 1.01 -0.52 -1.22 120.40 122.69 3ii5 s VAL 481 Ca 0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3ii5 s VAL 481 Cb -0.13 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3ii5 s VAL 481 CO 0.01 0.46 0.15 -0.75 0.00 0.00 0.00 175.10 174.97 3ii5 s LYS 482 N 1.30 3.35 -0.07 2.72 2.20 -0.35 -1.08 119.74 127.81 3ii5 s LYS 482 Ca 0.04 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 3ii5 s LYS 482 Cb -0.14 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3ii5 s LYS 482 CO -0.04 -0.41 -0.21 1.41 -0.36 0.00 0.00 175.35 175.73 3ii5 s MET 483 N 1.62 2.74 -0.77 4.03 1.75 0.21 -0.93 119.30 127.94 3ii5 s MET 483 Ca 0.05 -0.84 -0.26 0.00 -1.25 0.00 0.00 55.69 53.39 3ii5 s MET 483 Cb -0.17 -2.29 0.01 0.00 2.84 0.00 0.00 34.83 35.22 3ii5 s MET 483 CO 0.06 0.37 1.57 -1.17 -0.65 0.00 0.00 175.02 175.20 3ii5 s LEU 484 N -0.10 3.26 0.26 4.11 2.96 -0.94 0.59 118.68 128.81 3ii5 s LEU 484 Ca -0.04 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.57 3ii5 s LEU 484 Cb -0.14 -2.55 0.57 0.00 0.50 0.00 0.00 46.19 44.56 3ii5 s LEU 484 CO 0.04 -2.07 1.20 -0.46 -1.32 0.00 0.00 176.35 173.74 3ii5 n ASN 485 N 10.94 0.27 -4.60 3.68 0.23 -1.26 -4.61 115.26 119.91 3ii5 n ASN 485 Ca 0.18 0.50 -0.29 0.00 -0.53 0.00 0.00 54.58 54.44 3ii5 n ASN 485 Cb 0.50 -0.46 0.20 0.00 -2.08 0.00 0.00 39.78 37.94 3ii5 n ASN 485 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3ii5 s VAL 486 N -3.17 2.19 -0.46 3.53 1.01 -1.26 -4.98 120.40 117.26 3ii5 s VAL 486 Ca -0.01 0.06 0.14 0.00 0.00 0.00 0.00 61.98 62.17 3ii5 s VAL 486 Cb 0.03 -2.30 -0.17 0.00 0.00 0.00 0.00 36.38 33.94 3ii5 s VAL 486 CO 0.09 -0.08 0.51 0.35 0.00 0.00 0.00 175.10 175.97 3ii5 n THR 487 N -4.44 0.00 -3.31 3.92 -2.24 -1.26 -4.91 114.28 102.03 3ii5 n THR 487 Ca 0.06 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3ii5 n THR 487 Cb 0.55 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 3ii5 n THR 487 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ii5 s ALA 488 N -2.52 -1.32 0.38 6.98 0.00 -1.26 -4.86 121.76 119.16 3ii5 s ALA 488 Ca 0.02 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.81 3ii5 s ALA 488 Cb 0.10 -1.78 -0.10 0.00 0.00 0.00 0.00 23.12 21.34 3ii5 s ALA 488 CO 0.58 -1.29 0.98 -2.14 0.00 0.00 0.00 175.76 173.89 3ii5 s PRO 489 N 2.61 4.33 0.36 0.00 0.02 -1.26 -5.08 135.00 135.98 3ii5 s PRO 489 Ca 0.14 1.34 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 3ii5 s PRO 489 Cb -0.15 -2.54 -0.05 0.00 0.02 0.00 0.00 34.50 31.78 3ii5 s PRO 489 CO -0.17 0.04 0.65 0.95 -0.33 0.00 0.00 177.00 178.13 3ii5 s THR 490 N -1.78 4.96 -1.44 0.99 -4.23 -1.26 -4.86 115.64 108.03 3ii5 s THR 490 Ca 0.56 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 3ii5 s THR 490 Cb -0.17 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.92 3ii5 s THR 490 CO 0.22 -0.52 0.87 -2.65 -0.54 0.00 0.00 174.62 172.00 3ii5 n PRO 491 N -1.43 0.03 0.02 3.99 -0.02 -1.26 -0.26 135.00 136.06 3ii5 n PRO 491 Ca -0.01 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 3ii5 n PRO 491 Cb 0.55 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.39 3ii5 n PRO 491 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ii5 h GLN 492 N 0.00 0.25 -0.03 -0.52 7.50 -1.98 -3.14 115.11 117.20 3ii5 h GLN 492 Ca 0.00 -0.43 -0.01 0.00 0.50 0.00 0.00 58.65 58.71 3ii5 h GLN 492 Cb 0.02 0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.71 3ii5 h GLN 492 CO 0.00 1.21 -0.01 1.96 -1.50 0.00 0.00 178.83 180.49 3ii5 h GLN 493 N -0.34 0.05 -0.41 1.46 4.20 -1.33 -0.73 115.11 118.01 3ii5 h GLN 493 Ca -0.26 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.55 3ii5 h GLN 493 Cb 1.72 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 3ii5 h GLN 493 CO 0.08 0.42 0.38 1.25 -0.67 0.00 0.00 178.83 180.28 3ii5 h LEU 494 N -0.32 0.00 0.19 1.46 5.85 -0.81 0.10 115.31 121.79 3ii5 h LEU 494 Ca 0.01 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.41 3ii5 h LEU 494 Cb 0.40 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ii5 h LEU 494 CO 0.00 0.00 -1.53 -0.61 -0.34 0.00 0.00 178.44 175.96 3ii5 h GLN 495 N 0.00 0.41 0.02 1.25 5.75 -1.42 -2.88 115.11 118.24 3ii5 h GLN 495 Ca 0.20 -0.70 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 3ii5 h GLN 495 Cb 0.95 0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 3ii5 h GLN 495 CO -0.00 1.34 -0.13 0.00 -2.65 0.00 0.00 178.83 177.38 3ii5 h ALA 496 N 0.09 -0.16 -0.30 3.38 0.00 -0.03 -0.60 119.26 121.64 3ii5 h ALA 496 Ca -0.29 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3ii5 h ALA 496 Cb 2.03 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.99 3ii5 h ALA 496 CO 0.19 -0.63 -0.25 0.35 0.00 0.00 0.00 179.25 178.91 3ii5 h PHE 497 N -0.23 -0.78 -0.18 0.00 3.57 -0.95 0.88 116.94 119.25 3ii5 h PHE 497 Ca 0.04 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3ii5 h PHE 497 Cb 0.27 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3ii5 h PHE 497 CO -0.18 -0.19 0.15 0.87 -2.23 0.00 0.00 178.31 176.74 3ii5 h LYS 498 N -0.09 0.00 0.07 1.11 1.57 -1.37 -1.82 116.57 116.03 3ii5 h LYS 498 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3ii5 h LYS 498 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ii5 h LYS 498 CO -0.33 0.00 -0.03 -0.91 -0.57 0.00 0.00 179.45 177.61 3ii5 h ASN 499 N 0.00 -0.08 0.51 0.86 2.35 0.61 -2.15 115.58 117.68 3ii5 h ASN 499 Ca 0.09 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3ii5 h ASN 499 Cb 0.39 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3ii5 h ASN 499 CO -0.00 0.35 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.72 3ii5 h GLU 500 N -0.52 -0.77 -0.50 0.81 4.81 -0.32 -2.51 114.58 115.59 3ii5 h GLU 500 Ca -0.01 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3ii5 h GLU 500 Cb 0.45 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 3ii5 h GLU 500 CO 0.02 -0.51 0.06 0.28 -0.73 0.00 0.00 179.01 178.12 3ii5 h VAL 501 N -0.80 0.66 -0.09 0.32 2.07 -1.45 0.27 116.25 117.24 3ii5 h VAL 501 Ca -0.06 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3ii5 h VAL 501 Cb 0.66 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3ii5 h VAL 501 CO 0.05 0.03 0.13 1.23 0.02 0.00 0.00 177.57 179.03 3ii5 h GLY 502 N 0.18 0.00 0.18 2.17 0.00 -1.25 -1.39 103.07 102.96 3ii5 h GLY 502 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.34 3ii5 h GLY 502 CO -0.37 0.00 -1.33 -2.08 0.00 0.00 0.00 176.54 172.75 3ii5 h VAL 503 N 0.00 0.93 -0.39 4.60 2.07 -0.14 -3.36 116.25 119.96 3ii5 h VAL 503 Ca 0.04 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.33 3ii5 h VAL 503 Cb 0.30 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3ii5 h VAL 503 CO -0.00 0.48 0.26 -0.07 0.02 0.00 0.00 177.57 178.26 3ii5 h LEU 504 N -0.72 0.39 0.00 2.57 3.38 -0.49 -2.12 115.31 118.31 3ii5 h LEU 504 Ca -0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ii5 h LEU 504 Cb 1.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ii5 h LEU 504 CO -0.11 0.28 0.00 -2.11 0.09 0.00 0.00 178.44 176.59 3ii5 n ARG 505 N -4.48 0.08 0.00 1.13 1.85 -0.56 -1.66 116.66 113.02 3ii5 n ARG 505 Ca 0.03 0.12 0.14 0.00 -1.00 0.00 0.00 57.85 57.15 3ii5 n ARG 505 Cb 0.11 -1.50 0.62 0.00 -1.05 0.00 0.00 32.46 30.64 3ii5 n ARG 505 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3ii5 n LYS 506 N -1.45 0.22 -3.97 2.89 4.76 -0.80 -4.85 118.16 114.96 3ii5 n LYS 506 Ca 0.06 -0.03 -0.35 0.00 -2.87 0.00 0.00 58.31 55.12 3ii5 n LYS 506 Cb 0.23 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.79 3ii5 n LYS 506 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ii5 s THR 507 N -2.81 3.91 -0.37 -0.18 -4.23 -0.66 -5.01 115.64 106.29 3ii5 s THR 507 Ca 0.20 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 3ii5 s THR 507 Cb 0.19 -2.79 0.15 0.00 1.34 0.00 0.00 72.50 71.40 3ii5 s THR 507 CO 0.52 0.41 0.26 -0.13 -0.54 0.00 0.00 174.62 175.14 3ii5 s ARG 508 N 1.24 0.68 -0.10 3.99 0.52 -1.26 -4.81 118.95 119.21 3ii5 s ARG 508 Ca 0.04 -1.63 -0.17 0.00 -0.52 0.00 0.00 55.73 53.44 3ii5 s ARG 508 Cb -0.15 -1.33 0.04 0.00 0.52 0.00 0.00 34.95 34.03 3ii5 s ARG 508 CO 0.01 -1.28 0.43 -1.58 0.02 0.00 0.00 175.30 172.90 3ii5 s HIS 509 N 0.68 -0.40 0.02 -0.53 2.46 -1.26 -5.06 115.29 111.19 3ii5 s HIS 509 Ca 0.24 0.87 0.27 0.00 0.47 0.00 0.00 55.06 56.91 3ii5 s HIS 509 Cb -0.12 0.17 0.93 0.00 -0.13 0.00 0.00 32.58 33.43 3ii5 s HIS 509 CO -0.07 -0.33 1.82 -0.24 -2.47 0.00 0.00 174.74 173.45 3ii5 h VAL 510 N 4.07 0.30 -0.14 0.89 3.04 -1.99 -2.30 116.25 120.12 3ii5 h VAL 510 Ca -0.28 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 3ii5 h VAL 510 Cb 1.17 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 3ii5 h VAL 510 CO 0.30 0.13 0.00 0.59 -1.01 0.00 0.00 177.57 177.58 3ii5 n ASN 511 N -3.23 1.79 -4.51 3.17 5.03 -1.26 -4.74 115.26 111.51 3ii5 n ASN 511 Ca 0.01 -1.68 -0.33 0.00 0.87 0.00 0.00 54.58 53.44 3ii5 n ASN 511 Cb 0.42 -0.08 -0.12 0.00 -1.02 0.00 0.00 39.78 38.98 3ii5 n ASN 511 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ii5 s ILE 512 N -1.83 3.53 -0.09 2.41 1.09 -0.87 0.02 121.20 125.46 3ii5 s ILE 512 Ca 0.34 -0.52 -0.38 0.00 -1.10 0.00 0.00 60.65 58.99 3ii5 s ILE 512 Cb 0.19 -2.46 -0.15 0.00 -1.06 0.00 0.00 42.46 38.97 3ii5 s ILE 512 CO 0.29 0.56 1.61 -0.11 -0.10 0.00 0.00 174.94 177.19 3ii5 n LEU 513 N 2.71 2.36 -4.60 2.97 7.94 -0.96 -4.72 117.00 122.69 3ii5 n LEU 513 Ca -0.18 1.08 -0.43 0.00 -1.11 0.00 0.00 56.01 55.37 3ii5 n LEU 513 Cb 0.53 -1.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.24 3ii5 n LEU 513 CO 0.28 -0.57 1.32 -0.22 -1.11 0.00 0.00 177.39 177.09 3ii5 s LEU 514 N 2.35 3.55 0.38 -1.96 2.96 -1.26 -4.95 118.68 119.75 3ii5 s LEU 514 Ca 0.91 0.91 -0.27 0.00 -0.22 0.00 0.00 54.13 55.46 3ii5 s LEU 514 Cb -0.94 -3.50 -0.09 0.00 0.50 0.00 0.00 46.19 42.16 3ii5 s LEU 514 CO 0.55 -1.53 1.29 0.12 -1.32 0.00 0.00 176.35 175.46 3ii5 s PHE 515 N 5.87 2.91 0.00 5.38 5.36 -1.26 -1.13 117.98 135.11 3ii5 s PHE 515 Ca 0.66 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 3ii5 s PHE 515 Cb -0.16 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3ii5 s PHE 515 CO 0.32 -1.94 0.00 -1.33 -1.46 0.00 0.00 175.22 170.81 3ii5 n MET 516 N 0.33 2.08 0.00 10.12 2.81 -0.06 -4.87 117.12 127.53 3ii5 n MET 516 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3ii5 n MET 516 Cb 0.43 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 3ii5 n MET 516 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ii5 n GLY 517 N 1.71 0.61 3.26 3.03 0.00 -1.12 -4.99 105.19 107.70 3ii5 n GLY 517 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3ii5 n GLY 517 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ii5 s TYR 518 N -1.89 1.30 0.07 1.61 -0.85 -0.80 -0.10 117.35 116.68 3ii5 s TYR 518 Ca 0.00 -1.04 0.07 0.00 -0.52 0.00 0.00 57.07 55.57 3ii5 s TYR 518 Cb 0.00 -0.74 -0.03 0.00 0.38 0.00 0.00 41.96 41.57 3ii5 s TYR 518 CO 0.00 -0.23 -0.18 0.45 -1.52 0.00 0.00 175.55 174.07 3ii5 s SER 519 N -3.21 2.21 -0.00 -0.18 0.15 -0.55 0.23 113.70 112.34 3ii5 s SER 519 Ca 0.27 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.36 3ii5 s SER 519 Cb 0.06 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 3ii5 s SER 519 CO 0.06 0.05 0.06 0.41 1.20 0.00 0.00 173.24 175.03 3ii5 n THR 520 N 1.45 0.00 -3.78 6.45 -1.04 -1.26 -2.39 114.28 113.71 3ii5 n THR 520 Ca -0.19 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.61 3ii5 n THR 520 Cb 0.54 0.47 -0.12 0.00 -1.82 0.00 0.00 70.33 69.39 3ii5 n THR 520 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ii5 s LYS 521 N -2.14 0.23 -0.16 -2.82 3.01 -1.26 -3.78 119.74 112.82 3ii5 s LYS 521 Ca -0.01 0.34 -0.17 0.00 -1.01 0.00 0.00 55.97 55.12 3ii5 s LYS 521 Cb 0.02 0.07 -0.04 0.00 -1.01 0.00 0.00 37.83 36.86 3ii5 s LYS 521 CO 0.12 -0.06 0.43 -1.25 0.51 0.00 0.00 175.35 175.10 3ii5 s PRO 522 N 0.36 4.26 0.00 -1.68 0.05 -1.26 -4.28 135.00 132.45 3ii5 s PRO 522 Ca -0.02 0.32 0.00 0.00 0.05 0.00 0.00 61.00 61.35 3ii5 s PRO 522 Cb -0.03 -3.48 0.00 0.00 0.05 0.00 0.00 34.50 31.04 3ii5 s PRO 522 CO -0.02 0.07 0.00 1.04 0.05 0.00 0.00 177.00 178.15 3ii5 n GLN 523 N 4.03 0.00 -2.66 4.56 6.02 -1.25 -4.99 117.38 123.09 3ii5 n GLN 523 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.56 3ii5 n GLN 523 Cb 0.51 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.72 3ii5 n GLN 523 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ii5 s LEU 524 N -1.35 4.08 -0.13 1.08 1.43 -1.26 -4.01 118.68 118.53 3ii5 s LEU 524 Ca 0.00 1.89 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 3ii5 s LEU 524 Cb 0.00 -4.30 0.05 0.00 0.03 0.00 0.00 46.19 41.97 3ii5 s LEU 524 CO 0.00 -0.42 0.53 0.00 0.23 0.00 0.00 176.35 176.69 3ii5 s ALA 525 N -1.83 -1.33 -0.13 4.21 0.00 -1.01 -2.20 121.76 119.47 3ii5 s ALA 525 Ca 0.59 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.78 3ii5 s ALA 525 Cb -0.17 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.50 3ii5 s ALA 525 CO 0.22 -0.29 -0.13 0.42 0.00 0.00 0.00 175.76 175.98 3ii5 s ILE 526 N -0.42 1.43 -0.19 0.00 1.01 -0.11 -1.49 121.20 121.44 3ii5 s ILE 526 Ca -0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3ii5 s ILE 526 Cb -0.03 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 3ii5 s ILE 526 CO 0.04 0.43 0.11 -0.69 0.00 0.00 0.00 174.94 174.83 3ii5 s VAL 527 N 1.33 5.22 0.38 2.92 1.01 0.85 -1.21 120.40 130.90 3ii5 s VAL 527 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3ii5 s VAL 527 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3ii5 s VAL 527 CO -0.07 0.46 0.09 0.42 0.00 0.00 0.00 175.10 176.00 3ii5 s THR 528 N 0.27 0.91 0.60 3.92 -4.23 -0.36 -0.89 115.64 115.87 3ii5 s THR 528 Ca 0.07 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.39 3ii5 s THR 528 Cb -0.11 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 3ii5 s THR 528 CO -0.01 0.00 1.29 0.00 -0.54 0.00 0.00 174.62 175.36 3ii5 s GLN 529 N -3.81 2.83 0.33 3.99 -2.07 -0.29 -1.32 119.66 119.33 3ii5 s GLN 529 Ca 0.28 2.06 -0.26 0.00 -1.82 0.00 0.00 55.36 55.62 3ii5 s GLN 529 Cb 0.05 -1.99 -0.10 0.00 -1.09 0.00 0.00 33.01 29.89 3ii5 s GLN 529 CO 0.14 -1.38 0.97 -0.46 -1.32 0.00 0.00 175.29 173.24 3ii5 s TRP 530 N -1.41 3.61 -0.18 9.60 -0.11 -1.21 -4.05 118.94 125.19 3ii5 s TRP 530 Ca 0.78 1.76 0.00 0.00 1.22 0.00 0.00 56.10 59.86 3ii5 s TRP 530 Cb -0.37 -2.98 0.04 0.00 -1.50 0.00 0.00 33.47 28.67 3ii5 s TRP 530 CO 0.40 0.03 -0.08 0.00 -4.62 0.00 0.00 176.95 172.68 3ii5 s GLU 532 N 1.52 4.06 0.00 0.00 2.56 -1.26 -4.89 118.70 120.69 3ii5 s GLU 532 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.97 55.12 3ii5 s GLU 532 Cb -0.16 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.34 3ii5 s GLU 532 CO -0.08 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 3ii5 n GLY 533 N 4.45 0.66 3.45 -1.50 0.00 -1.26 0.95 105.19 111.93 3ii5 n GLY 533 Ca -0.07 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 3ii5 n GLY 533 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii5 s SER 534 N -4.00 -0.02 0.86 1.61 1.04 -1.25 -5.02 113.70 106.93 3ii5 s SER 534 Ca 0.00 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 3ii5 s SER 534 Cb 0.00 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.74 3ii5 s SER 534 CO 0.00 -1.02 1.10 -0.94 0.98 0.00 0.00 173.24 173.37 3ii5 s SER 535 N -3.03 3.64 0.27 7.02 1.04 -1.26 -2.25 113.70 119.12 3ii5 s SER 535 Ca 0.24 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.47 3ii5 s SER 535 Cb 0.02 -2.43 0.37 0.00 0.10 0.00 0.00 66.02 64.08 3ii5 s SER 535 CO 0.07 -2.58 1.72 0.25 0.98 0.00 0.00 173.24 173.68 3ii5 h LEU 536 N -1.51 0.60 0.03 2.42 5.85 -0.36 -2.38 115.31 119.97 3ii5 h LEU 536 Ca -0.46 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3ii5 h LEU 536 Cb 1.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3ii5 h LEU 536 CO 0.50 0.79 -0.08 0.22 -0.34 0.00 0.00 178.44 179.53 3ii5 h TYR 537 N 0.55 -0.23 -0.76 1.25 3.20 -1.71 -1.63 116.97 117.64 3ii5 h TYR 537 Ca 0.09 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.10 3ii5 h TYR 537 Cb 0.61 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 38.84 3ii5 h TYR 537 CO 0.02 -0.09 -0.23 1.58 -1.64 0.00 0.00 178.16 177.80 3ii5 n HIS 538 N -2.86 0.19 0.15 -3.82 -0.00 -1.16 -0.17 115.22 107.54 3ii5 n HIS 538 Ca -0.01 0.93 -0.14 0.00 0.46 0.00 0.00 57.72 58.96 3ii5 n HIS 538 Cb 0.06 -0.89 -0.08 0.00 -0.12 0.00 0.00 29.99 28.97 3ii5 n HIS 538 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3ii5 h HIS 539 N 0.00 -0.29 -0.38 1.57 3.86 -1.18 0.21 115.15 118.94 3ii5 h HIS 539 Ca 0.33 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 3ii5 h HIS 539 Cb 0.52 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3ii5 h HIS 539 CO -0.62 -0.13 -0.34 -0.07 0.86 0.00 0.00 177.93 177.63 3ii5 h LEU 540 N -0.38 0.96 -0.34 2.43 4.07 -0.15 0.12 115.31 122.01 3ii5 h LEU 540 Ca -0.03 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3ii5 h LEU 540 Cb 0.29 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3ii5 h LEU 540 CO 0.05 1.22 -0.13 1.41 -1.08 0.00 0.00 178.44 179.90 3ii5 n HIS 541 N -4.11 0.00 0.01 1.13 8.25 0.76 -4.26 115.22 116.99 3ii5 n HIS 541 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 3ii5 n HIS 541 Cb 0.52 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 3ii5 n HIS 541 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ii5 n ILE 542 N -0.71 1.01 -0.38 1.59 2.08 -0.06 -4.75 119.36 118.14 3ii5 n ILE 542 Ca 0.01 0.23 0.09 0.00 0.56 0.00 0.00 62.75 63.64 3ii5 n ILE 542 Cb 0.08 -1.70 0.33 0.00 -0.75 0.00 0.00 39.64 37.60 3ii5 n ILE 542 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3ii5 n ILE 543 N -3.57 1.55 -4.49 1.39 -5.35 -0.50 -4.94 119.36 103.45 3ii5 n ILE 543 Ca -0.05 -1.05 -0.41 0.00 -0.27 0.00 0.00 62.75 60.96 3ii5 n ILE 543 Cb 0.25 0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.23 3ii5 n ILE 543 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ii5 n GLU 544 N 1.13 -1.10 -1.67 6.28 -0.58 -1.03 -4.81 120.64 118.86 3ii5 n GLU 544 Ca 0.24 0.17 -0.45 0.00 -0.42 0.00 0.00 57.16 56.71 3ii5 n GLU 544 Cb 0.79 -4.73 -0.02 0.00 -0.57 0.00 0.00 31.44 26.90 3ii5 n GLU 544 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3ii5 n THR 545 N -4.13 1.04 -3.74 2.62 -1.04 0.37 -4.95 114.28 104.46 3ii5 n THR 545 Ca 0.09 -0.26 -0.37 0.00 -2.04 0.00 0.00 64.05 61.47 3ii5 n THR 545 Cb 0.47 -1.48 -0.12 0.00 -1.82 0.00 0.00 70.33 67.39 3ii5 n THR 545 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ii5 s LYS 546 N -0.54 2.34 0.45 -2.82 1.02 -1.26 -4.69 119.74 114.24 3ii5 s LYS 546 Ca 0.67 -1.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.05 3ii5 s LYS 546 Cb -0.64 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.06 3ii5 s LYS 546 CO 0.51 -0.91 0.78 -0.06 -0.92 0.00 0.00 175.35 174.75 3ii5 s PHE 547 N 1.28 3.52 0.46 3.18 0.40 -1.26 -5.08 117.98 120.48 3ii5 s PHE 547 Ca 0.03 0.93 -0.19 0.00 -0.60 0.00 0.00 56.93 57.10 3ii5 s PHE 547 Cb -0.22 -2.37 -0.10 0.00 0.51 0.00 0.00 43.02 40.84 3ii5 s PHE 547 CO -0.01 -0.21 0.95 -1.21 0.70 0.00 0.00 175.22 175.44 3ii5 s GLU 548 N -4.34 4.11 0.22 0.44 2.02 -1.26 -4.88 118.70 115.01 3ii5 s GLU 548 Ca 0.49 1.02 -0.09 0.00 0.02 0.00 0.00 54.97 56.42 3ii5 s GLU 548 Cb -0.10 -2.18 0.35 0.00 0.10 0.00 0.00 34.13 32.30 3ii5 s GLU 548 CO 0.39 -0.11 1.68 1.98 0.02 0.00 0.00 175.26 179.22 3ii5 h MET 549 N 1.55 0.19 -0.81 1.61 1.85 -1.98 0.76 114.93 118.10 3ii5 h MET 549 Ca -0.48 -0.01 0.11 0.00 -0.61 0.00 0.00 59.70 58.71 3ii5 h MET 549 Cb 1.18 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.11 3ii5 h MET 549 CO 0.61 0.12 0.53 0.97 -0.40 0.00 0.00 176.91 178.74 3ii5 h ILE 550 N 0.19 0.92 -0.06 1.77 2.10 -1.96 0.86 117.51 121.33 3ii5 h ILE 550 Ca 0.35 -0.24 -0.07 0.00 1.08 0.00 0.00 64.86 65.98 3ii5 h ILE 550 Cb 0.57 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 3ii5 h ILE 550 CO -0.50 0.13 -0.24 0.50 -1.08 0.00 0.00 178.15 176.96 3ii5 h LYS 551 N 0.70 0.27 -0.02 2.19 1.63 -1.29 -2.24 116.57 117.82 3ii5 h LYS 551 Ca 0.38 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 3ii5 h LYS 551 Cb 0.52 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 3ii5 h LYS 551 CO -0.15 0.85 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.43 3ii5 h LEU 552 N -0.24 -0.59 -1.56 5.20 3.38 -0.48 0.13 115.31 121.15 3ii5 h LEU 552 Ca -0.01 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.19 3ii5 h LEU 552 Cb 0.88 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3ii5 h LEU 552 CO 0.05 -0.26 0.51 0.40 0.09 0.00 0.00 178.44 179.23 3ii5 h ILE 553 N -0.31 0.80 -0.00 1.22 2.04 -0.91 0.85 117.51 121.19 3ii5 h ILE 553 Ca 0.06 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3ii5 h ILE 553 Cb 0.40 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3ii5 h ILE 553 CO -0.20 0.08 -0.00 -0.78 0.00 0.00 0.00 178.15 177.25 3ii5 h ASP 554 N 0.43 0.01 -0.91 1.72 3.58 -0.54 -1.44 116.42 119.28 3ii5 h ASP 554 Ca 0.38 -0.46 0.12 0.00 0.42 0.00 0.00 57.03 57.48 3ii5 h ASP 554 Cb 0.84 -0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 3ii5 h ASP 554 CO -0.12 0.47 0.58 0.40 -2.88 0.00 0.00 179.24 177.69 3ii5 h ILE 555 N -0.45 0.91 -0.05 2.25 2.04 0.20 0.48 117.51 122.88 3ii5 h ILE 555 Ca 0.00 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3ii5 h ILE 555 Cb 0.47 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ii5 h ILE 555 CO 0.00 0.15 0.03 0.00 0.00 0.00 0.00 178.15 178.33 3ii5 h ALA 556 N 1.57 0.06 -0.56 1.87 0.00 -0.76 -2.36 119.26 119.08 3ii5 h ALA 556 Ca 0.44 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.33 3ii5 h ALA 556 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ii5 h ALA 556 CO -0.20 -0.41 0.35 -0.09 0.00 0.00 0.00 179.25 178.90 3ii5 h ARG 557 N 0.02 0.69 -0.43 0.00 2.43 -0.07 -0.30 114.38 116.71 3ii5 h ARG 557 Ca 0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3ii5 h ARG 557 Cb 0.05 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3ii5 h ARG 557 CO -0.00 0.46 0.07 1.96 -1.51 0.00 0.00 179.97 180.94 3ii5 h GLN 558 N 0.71 0.66 -0.10 0.20 4.20 -0.92 -1.13 115.11 118.74 3ii5 h GLN 558 Ca 0.22 -0.13 -0.18 0.00 0.06 0.00 0.00 58.65 58.61 3ii5 h GLN 558 Cb -0.03 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3ii5 h GLN 558 CO -0.07 0.63 -0.70 1.15 -0.67 0.00 0.00 178.83 179.16 3ii5 h THR 559 N 0.64 1.36 -0.11 -0.54 2.02 -0.86 -2.65 112.91 112.77 3ii5 h THR 559 Ca 0.14 -2.07 -0.05 0.00 0.77 0.00 0.00 66.41 65.21 3ii5 h THR 559 Cb 0.30 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3ii5 h THR 559 CO 0.00 0.63 -0.15 0.00 0.37 0.00 0.00 175.52 176.37 3ii5 h ALA 560 N 0.91 1.55 -0.08 6.16 0.00 -0.56 -1.59 119.26 125.65 3ii5 h ALA 560 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ii5 h ALA 560 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ii5 h ALA 560 CO 0.12 0.32 -0.05 1.96 0.00 0.00 0.00 179.25 181.61 3ii5 h GLN 561 N 0.17 0.17 -0.29 0.00 4.20 -0.98 -1.07 115.11 117.30 3ii5 h GLN 561 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ii5 h GLN 561 Cb 0.37 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3ii5 h GLN 561 CO 0.02 0.55 0.19 0.78 -0.67 0.00 0.00 178.83 179.71 3ii5 h GLY 562 N -0.22 0.41 0.87 3.46 0.00 -1.29 -1.42 103.07 104.87 3ii5 h GLY 562 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3ii5 h GLY 562 CO 0.01 0.16 0.06 -0.33 0.00 0.00 0.00 176.54 176.44 3ii5 h MET 563 N 0.39 0.24 -0.98 4.80 2.86 -1.32 -0.29 114.93 120.62 3ii5 h MET 563 Ca 0.11 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.85 3ii5 h MET 563 Cb -0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.50 3ii5 h MET 563 CO -0.02 0.34 0.62 0.22 1.06 0.00 0.00 176.91 179.12 3ii5 h ASP 564 N 0.09 0.82 0.16 1.22 3.58 -1.12 -1.14 116.42 120.03 3ii5 h ASP 564 Ca 0.05 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 3ii5 h ASP 564 Cb 0.19 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3ii5 h ASP 564 CO -0.00 0.39 -0.08 0.22 -2.88 0.00 0.00 179.24 176.89 3ii5 h TYR 565 N 0.85 -0.20 -0.36 0.28 3.20 -0.66 -1.98 116.97 118.11 3ii5 h TYR 565 Ca 0.51 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.45 3ii5 h TYR 565 Cb 0.68 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.94 3ii5 h TYR 565 CO -0.00 0.15 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.48 3ii5 h LEU 566 N -0.57 -0.42 -1.38 2.82 3.38 -0.76 -1.72 115.31 116.66 3ii5 h LEU 566 Ca -0.02 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ii5 h LEU 566 Cb 0.44 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ii5 h LEU 566 CO 0.04 -0.15 0.41 0.45 0.09 0.00 0.00 178.44 179.27 3ii5 h HIS 567 N -0.04 0.79 0.00 1.13 3.86 -1.21 -0.06 115.15 119.62 3ii5 h HIS 567 Ca 0.18 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3ii5 h HIS 567 Cb 0.31 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3ii5 h HIS 567 CO -0.35 0.50 -0.18 0.00 0.86 0.00 0.00 177.93 178.76 3ii5 h ALA 568 N 1.60 1.63 -0.34 2.45 0.00 -0.53 0.90 119.26 124.97 3ii5 h ALA 568 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ii5 h ALA 568 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ii5 h ALA 568 CO -0.05 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.06 3ii5 n LYS 569 N -4.22 1.92 -2.95 0.00 4.76 -0.41 -4.91 118.16 112.36 3ii5 n LYS 569 Ca -0.02 -1.29 -0.20 0.00 -2.87 0.00 0.00 58.31 53.93 3ii5 n LYS 569 Cb 0.25 -1.33 0.03 0.00 -1.84 0.00 0.00 35.03 32.14 3ii5 n LYS 569 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3ii5 n SER 570 N 0.50 -5.66 -4.48 4.39 7.64 0.31 -5.00 113.62 111.33 3ii5 n SER 570 Ca 0.12 -0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.38 3ii5 n SER 570 Cb 0.34 -4.48 -0.12 0.00 -1.01 0.00 0.00 64.21 58.93 3ii5 n SER 570 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ii5 s ILE 571 N -3.12 4.33 -0.19 0.44 1.01 -0.17 -4.99 121.20 118.51 3ii5 s ILE 571 Ca 0.28 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 3ii5 s ILE 571 Cb -0.12 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 3ii5 s ILE 571 CO 0.34 0.37 0.16 -0.63 0.00 0.00 0.00 174.94 175.18 3ii5 s ILE 572 N 1.31 5.39 0.11 2.92 1.01 -1.26 -3.48 121.20 127.20 3ii5 s ILE 572 Ca 0.05 0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 3ii5 s ILE 572 Cb -0.15 -3.50 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 3ii5 s ILE 572 CO 0.03 0.43 1.34 -0.74 0.00 0.00 0.00 174.94 176.00 3ii5 h HIS 573 N 6.66 1.09 0.00 3.97 -0.00 -1.97 -3.47 115.15 121.44 3ii5 h HIS 573 Ca -0.41 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 59.51 3ii5 h HIS 573 Cb 1.15 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3ii5 h HIS 573 CO 0.58 1.29 0.00 0.54 -0.00 0.00 0.00 177.93 180.34 3ii5 n ARG 574 N -3.96 0.00 -2.51 5.26 1.74 -1.26 -4.64 116.66 111.29 3ii5 n ARG 574 Ca -0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.99 3ii5 n ARG 574 Cb 0.71 -3.55 0.10 0.00 -1.02 0.00 0.00 32.46 28.70 3ii5 n ARG 574 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ii5 n ASP 575 N 0.00 -1.33 -4.77 0.55 2.03 -1.26 -5.11 116.55 106.66 3ii5 n ASP 575 Ca 0.00 -2.06 -0.40 0.00 0.52 0.00 0.00 54.79 52.84 3ii5 n ASP 575 Cb 0.00 0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 3ii5 n ASP 575 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3ii5 s LEU 576 N -3.25 4.43 -0.19 -2.67 2.96 -1.26 -4.88 118.68 113.81 3ii5 s LEU 576 Ca 0.10 2.58 -0.35 0.00 -0.22 0.00 0.00 54.13 56.23 3ii5 s LEU 576 Cb 0.35 -3.68 0.14 0.00 0.50 0.00 0.00 46.19 43.51 3ii5 s LEU 576 CO -0.10 -0.47 1.25 -1.59 -1.32 0.00 0.00 176.35 174.12 3ii5 s LYS 577 N -1.77 0.25 0.56 1.98 -2.85 -1.26 -4.89 119.74 111.76 3ii5 s LYS 577 Ca 0.49 -0.10 0.25 0.00 -1.00 0.00 0.00 55.97 55.61 3ii5 s LYS 577 Cb -0.37 0.11 1.51 0.00 -2.06 0.00 0.00 37.83 37.02 3ii5 s LYS 577 CO 0.49 -0.11 2.09 0.66 0.10 0.00 0.00 175.35 178.58 3ii5 h SER 578 N 2.00 0.00 0.49 0.03 4.64 -1.94 0.23 113.55 119.00 3ii5 h SER 578 Ca -0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3ii5 h SER 578 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3ii5 h SER 578 CO 0.23 0.00 -0.20 0.78 -0.87 0.00 0.00 176.83 176.76 3ii5 h ASN 579 N 0.00 0.00 -0.44 4.97 4.21 -1.95 -2.43 115.58 119.94 3ii5 h ASN 579 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 3ii5 h ASN 579 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3ii5 h ASN 579 CO -0.00 0.20 0.00 0.59 -1.29 0.00 0.00 177.43 176.93 3ii5 n ASN 580 N -3.69 2.68 -4.21 5.81 3.02 0.79 -4.72 115.26 114.94 3ii5 n ASN 580 Ca -0.01 -1.95 -0.37 0.00 -0.03 0.00 0.00 54.58 52.21 3ii5 n ASN 580 Cb 0.32 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 3ii5 n ASN 580 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ii5 s ILE 581 N -1.42 3.59 -0.15 2.41 1.01 -0.95 -1.44 121.20 124.25 3ii5 s ILE 581 Ca 0.35 -1.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.32 3ii5 s ILE 581 Cb 0.19 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3ii5 s ILE 581 CO 0.25 -0.40 0.36 0.12 0.00 0.00 0.00 174.94 175.27 3ii5 s PHE 582 N 1.30 3.46 -0.84 3.97 5.36 0.35 -0.10 117.98 131.49 3ii5 s PHE 582 Ca 0.02 0.68 -0.18 0.00 -0.96 0.00 0.00 56.93 56.48 3ii5 s PHE 582 Cb -0.21 -2.43 0.13 0.00 -0.34 0.00 0.00 43.02 40.17 3ii5 s PHE 582 CO -0.00 0.18 1.00 -0.51 -1.46 0.00 0.00 175.22 174.43 3ii5 s LEU 583 N 0.63 5.28 -0.55 6.12 1.43 -0.96 -0.91 118.68 129.73 3ii5 s LEU 583 Ca 0.20 -1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 51.08 3ii5 s LEU 583 Cb -0.14 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 3ii5 s LEU 583 CO 0.06 -1.04 1.66 -2.28 0.23 0.00 0.00 176.35 174.98 3ii5 s HIS 584 N 2.46 1.94 -0.94 0.29 5.65 0.25 -2.06 115.29 122.89 3ii5 s HIS 584 Ca 0.26 0.60 0.00 0.00 0.25 0.00 0.00 55.06 56.18 3ii5 s HIS 584 Cb -0.10 -4.23 0.00 0.00 -1.18 0.00 0.00 32.58 27.07 3ii5 s HIS 584 CO -0.05 -2.29 0.00 0.39 -0.65 0.00 0.00 174.74 172.14 3ii5 n GLU 585 N 8.87 -0.87 -1.66 2.88 1.02 0.27 -2.22 120.64 128.93 3ii5 n GLU 585 Ca 0.17 0.54 -0.16 0.00 -0.02 0.00 0.00 57.16 57.68 3ii5 n GLU 585 Cb 0.50 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 27.22 3ii5 n GLU 585 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ii5 n ASP 586 N -0.07 -4.43 0.03 1.62 9.92 -0.87 -4.73 116.55 118.02 3ii5 n ASP 586 Ca -0.13 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 3ii5 n ASP 586 Cb 0.59 -3.96 0.00 0.00 -0.64 0.00 0.00 41.12 37.12 3ii5 n ASP 586 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3ii5 n LEU 587 N -2.24 0.26 -4.79 0.64 7.94 -1.10 -5.09 117.00 112.62 3ii5 n LEU 587 Ca -0.17 0.09 -0.36 0.00 -1.11 0.00 0.00 56.01 54.46 3ii5 n LEU 587 Cb 0.56 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.40 3ii5 n LEU 587 CO 0.25 -0.60 -0.20 -0.89 -1.11 0.00 0.00 177.39 174.83 3ii5 s THR 588 N -1.36 5.23 -0.16 1.96 2.01 -0.94 -4.88 115.64 117.49 3ii5 s THR 588 Ca 0.00 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 3ii5 s THR 588 Cb 0.00 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 3ii5 s THR 588 CO 0.00 0.57 0.85 -0.69 -0.69 0.00 0.00 174.62 174.66 3ii5 s VAL 589 N -0.58 4.87 -0.19 3.82 1.01 -1.26 -0.58 120.40 127.49 3ii5 s VAL 589 Ca 0.12 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.75 3ii5 s VAL 589 Cb -0.12 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3ii5 s VAL 589 CO 0.02 0.02 -0.08 -0.54 0.00 0.00 0.00 175.10 174.52 3ii5 s LYS 590 N 2.16 3.35 -0.15 2.72 -0.14 -0.08 -4.17 119.74 123.43 3ii5 s LYS 590 Ca 0.39 -0.66 -0.19 0.00 -1.36 0.00 0.00 55.97 54.16 3ii5 s LYS 590 Cb -0.17 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 3ii5 s LYS 590 CO 0.13 -0.06 0.51 0.42 -0.76 0.00 0.00 175.35 175.58 3ii5 s ILE 591 N 1.08 5.15 0.19 2.17 1.01 0.10 -0.49 121.20 130.40 3ii5 s ILE 591 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 60.65 61.66 3ii5 s ILE 591 Cb -0.15 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3ii5 s ILE 591 CO -0.01 0.26 0.10 0.61 0.00 0.00 0.00 174.94 175.89 3ii5 n GLY 592 N 3.52 3.59 2.71 6.18 0.00 -0.52 -2.27 105.19 118.39 3ii5 n GLY 592 Ca -0.06 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 3ii5 n GLY 592 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii5 s ASP 593 N -2.20 3.78 -0.17 1.61 -1.08 -1.26 -4.77 116.67 112.58 3ii5 s ASP 593 Ca 0.14 -2.25 0.12 0.00 -0.52 0.00 0.00 52.55 50.05 3ii5 s ASP 593 Cb 0.01 -0.96 0.65 0.00 -1.46 0.00 0.00 42.92 41.15 3ii5 s ASP 593 CO 0.10 -0.32 1.50 0.49 0.52 0.00 0.00 175.17 177.46 3ii5 n PHE 594 N 4.04 1.59 -2.05 -5.34 0.99 -1.26 -4.89 117.46 110.54 3ii5 n PHE 594 Ca 0.05 -0.56 -0.43 0.00 -0.00 0.00 0.00 57.45 56.51 3ii5 n PHE 594 Cb 0.37 -0.39 -0.03 0.00 -1.00 0.00 0.00 39.48 38.44 3ii5 n PHE 594 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ii5 s GLY 595 N -0.66 1.00 -0.12 1.37 0.00 -1.26 -4.86 107.32 102.79 3ii5 s GLY 595 Ca 0.43 0.37 0.13 0.00 0.00 0.00 0.00 44.72 45.66 3ii5 s GLY 595 CO 0.14 3.15 1.45 1.04 0.00 0.00 0.00 173.10 178.88 3ii5 n LEU 596 N 9.38 4.09 0.00 0.66 4.77 -1.26 -5.00 117.00 129.63 3ii5 n LEU 596 Ca 0.21 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 3ii5 n LEU 596 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ii5 n LEU 596 CO 0.67 0.62 0.00 0.00 -1.33 0.00 0.00 177.39 177.35 3ii5 n ALA 597 N 0.72 0.56 0.00 -1.18 0.00 -1.26 -0.65 120.51 118.70 3ii5 n ALA 597 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ii5 n ALA 597 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3ii5 n ALA 597 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii5 n GLY 614 N 0.00 1.53 2.90 0.00 0.00 -1.26 -4.88 105.19 103.49 3ii5 n GLY 614 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ii5 n GLY 614 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ii5 n SER 615 N 0.00 3.74 -0.27 1.61 7.64 -1.26 -4.94 113.62 120.14 3ii5 n SER 615 Ca 0.00 -3.24 -0.06 0.00 1.01 0.00 0.00 58.87 56.59 3ii5 n SER 615 Cb 0.00 -0.87 0.06 0.00 -1.01 0.00 0.00 64.21 62.38 3ii5 n SER 615 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3ii5 h ILE 616 N 4.01 1.24 0.00 0.44 1.08 -2.02 -3.25 117.51 119.01 3ii5 h ILE 616 Ca 0.17 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3ii5 h ILE 616 Cb 0.75 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3ii5 h ILE 616 CO 0.82 0.29 0.17 -0.07 -0.69 0.00 0.00 178.15 178.67 3ii5 h LEU 617 N 1.04 0.00 -1.15 1.44 3.38 -1.97 -1.05 115.31 117.00 3ii5 h LEU 617 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ii5 h LEU 617 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ii5 h LEU 617 CO -0.03 0.00 -0.16 0.79 0.09 0.00 0.00 178.44 179.13 3ii5 n TRP 618 N -2.75 0.00 -2.68 1.13 8.01 -1.23 -4.95 117.44 114.97 3ii5 n TRP 618 Ca -0.02 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.74 3ii5 n TRP 618 Cb 0.22 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.50 3ii5 n TRP 618 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3ii5 s MET 619 N -1.47 4.27 0.63 -0.99 -1.94 -0.40 -3.82 119.30 115.59 3ii5 s MET 619 Ca 0.14 1.33 -0.18 0.00 -1.71 0.00 0.00 55.69 55.27 3ii5 s MET 619 Cb 0.11 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 3ii5 s MET 619 CO 0.27 -0.58 0.89 0.00 -0.01 0.00 0.00 175.02 175.59 3ii5 n ALA 620 N 6.13 -0.11 -0.31 3.03 0.00 -1.26 -4.71 120.51 123.27 3ii5 n ALA 620 Ca 0.11 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.66 3ii5 n ALA 620 Cb 0.46 -2.07 0.34 0.00 0.00 0.00 0.00 19.45 18.19 3ii5 n ALA 620 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ii5 h PRO 621 N 0.26 0.33 0.00 0.00 0.11 -1.86 0.10 132.00 130.94 3ii5 h PRO 621 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3ii5 h PRO 621 Cb 1.36 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ii5 h PRO 621 CO 0.49 0.22 -0.09 1.05 -0.21 0.00 0.00 178.00 179.47 3ii5 h GLU 622 N 0.34 0.00 0.06 1.05 9.09 -1.89 0.52 114.58 123.75 3ii5 h GLU 622 Ca 0.60 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.75 3ii5 h GLU 622 Cb 1.20 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.31 3ii5 h GLU 622 CO -0.58 0.09 -1.09 0.28 0.05 0.00 0.00 179.01 177.76 3ii5 h VAL 623 N 0.00 1.40 0.05 -1.06 2.07 -1.24 0.21 116.25 117.67 3ii5 h VAL 623 Ca -0.00 -2.60 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 3ii5 h VAL 623 Cb 0.82 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3ii5 h VAL 623 CO 0.01 0.77 -0.02 0.40 0.02 0.00 0.00 177.57 178.75 3ii5 h ILE 624 N 0.21 1.30 -0.72 4.57 2.04 -1.01 -2.89 117.51 121.01 3ii5 h ILE 624 Ca -0.12 -1.25 0.11 0.00 1.00 0.00 0.00 64.86 64.60 3ii5 h ILE 624 Cb 1.76 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 39.87 3ii5 h ILE 624 CO 0.19 0.31 0.32 0.03 0.00 0.00 0.00 178.15 179.00 3ii5 h ARG 625 N -0.63 0.50 -5.85 2.37 3.08 -1.01 -3.46 114.38 109.37 3ii5 h ARG 625 Ca -0.01 -0.03 -0.36 0.00 0.07 0.00 0.00 59.98 59.65 3ii5 h ARG 625 Cb 0.55 -0.11 0.12 0.00 0.08 0.00 0.00 29.97 30.61 3ii5 h ARG 625 CO 0.01 0.33 -0.84 -0.12 -1.07 0.00 0.00 179.97 178.28 3ii5 n MET 626 N -4.94 -4.15 -2.51 0.04 0.00 0.74 -4.95 117.12 101.36 3ii5 n MET 626 Ca 0.12 0.71 -0.40 0.00 -0.00 0.00 0.00 57.70 58.13 3ii5 n MET 626 Cb 0.33 -5.34 -0.04 0.00 0.00 0.00 0.00 33.22 28.17 3ii5 n MET 626 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 3ii5 s GLN 627 N -5.46 4.66 0.07 2.12 0.00 -1.25 -4.88 119.66 114.92 3ii5 s GLN 627 Ca 0.18 1.76 0.00 0.00 -0.00 0.00 0.00 55.36 57.30 3ii5 s GLN 627 Cb -0.04 -3.21 0.00 0.00 0.00 0.00 0.00 33.01 29.76 3ii5 s GLN 627 CO 0.78 0.22 0.00 -0.25 0.00 0.00 0.00 175.29 176.05 3ii5 n ASP 628 N 1.38 -1.49 -0.11 12.60 9.92 -1.26 -4.25 116.55 133.33 3ii5 n ASP 628 Ca -0.01 0.14 -0.10 0.00 -0.53 0.00 0.00 54.79 54.29 3ii5 n ASP 628 Cb 0.45 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 40.13 3ii5 n ASP 628 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3ii5 h LYS 629 N -0.23 0.54 -3.75 -1.24 1.57 -2.04 -3.42 116.57 107.99 3ii5 h LYS 629 Ca -0.00 -0.13 -0.55 0.00 -1.87 0.00 0.00 60.65 58.10 3ii5 h LYS 629 Cb 0.23 -0.07 -0.39 0.00 0.08 0.00 0.00 32.23 32.07 3ii5 h LYS 629 CO 0.00 0.59 -0.77 1.21 -0.57 0.00 0.00 179.45 179.92 3ii5 s ASN 630 N -5.90 3.23 -0.13 0.86 2.47 -1.26 -4.95 114.94 109.26 3ii5 s ASN 630 Ca -0.13 -0.97 0.16 0.00 0.42 0.00 0.00 52.86 52.33 3ii5 s ASN 630 Cb 0.09 -0.76 0.60 0.00 -1.45 0.00 0.00 41.25 39.73 3ii5 s ASN 630 CO 0.75 -0.30 1.52 -0.81 -3.72 0.00 0.00 177.10 174.54 3ii5 n PRO 631 N 4.94 3.51 -3.56 0.43 -0.04 -1.26 -5.00 135.00 134.02 3ii5 n PRO 631 Ca -0.09 -2.77 -0.35 0.00 -0.04 0.00 0.00 63.50 60.25 3ii5 n PRO 631 Cb 0.46 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 3ii5 n PRO 631 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ii5 s TYR 632 N -2.14 3.59 0.20 0.54 1.51 -1.26 -4.52 117.35 115.27 3ii5 s TYR 632 Ca 0.44 0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 57.08 3ii5 s TYR 632 Cb 0.31 -2.18 0.05 0.00 -0.11 0.00 0.00 41.96 40.02 3ii5 s TYR 632 CO 0.17 0.51 0.85 -1.54 -1.11 0.00 0.00 175.55 174.43 3ii5 s SER 633 N -1.74 -0.22 0.28 2.29 1.04 -1.26 -4.94 113.70 109.15 3ii5 s SER 633 Ca 0.33 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.30 3ii5 s SER 633 Cb -0.14 0.59 0.61 0.00 0.10 0.00 0.00 66.02 67.18 3ii5 s SER 633 CO 0.18 -1.09 1.79 -0.26 0.98 0.00 0.00 173.24 174.84 3ii5 h PHE 634 N 2.00 0.97 0.00 5.02 0.04 -1.98 0.37 116.94 123.37 3ii5 h PHE 634 Ca -0.22 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 3ii5 h PHE 634 Cb 1.24 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3ii5 h PHE 634 CO 0.40 0.27 -0.17 1.96 -0.60 0.00 0.00 178.31 180.17 3ii5 h GLN 635 N 0.77 0.00 -0.27 1.51 7.50 -1.92 0.38 115.11 123.08 3ii5 h GLN 635 Ca 0.51 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.55 3ii5 h GLN 635 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 3ii5 h GLN 635 CO -0.34 0.17 -0.32 0.66 -1.50 0.00 0.00 178.83 177.50 3ii5 h SER 636 N 0.00 0.58 -0.18 1.46 4.64 -1.27 -1.65 113.55 117.14 3ii5 h SER 636 Ca -0.00 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 60.99 3ii5 h SER 636 Cb 0.31 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3ii5 h SER 636 CO 0.02 0.86 -0.30 0.44 -0.87 0.00 0.00 176.83 176.99 3ii5 h ASP 637 N 0.48 0.57 -0.90 4.97 3.32 -0.91 -2.82 116.42 121.13 3ii5 h ASP 637 Ca 0.06 -0.53 0.15 0.00 0.02 0.00 0.00 57.03 56.72 3ii5 h ASP 637 Cb 0.79 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 3ii5 h ASP 637 CO 0.06 0.99 0.58 0.58 -1.72 0.00 0.00 179.24 179.74 3ii5 h VAL 638 N 0.17 0.83 -0.20 -1.35 2.07 -0.81 -0.07 116.25 116.89 3ii5 h VAL 638 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3ii5 h VAL 638 Cb 0.88 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3ii5 h VAL 638 CO 0.07 0.13 0.09 0.22 0.02 0.00 0.00 177.57 178.09 3ii5 h TYR 639 N 0.69 0.30 -0.97 1.57 3.20 -1.17 -1.70 116.97 118.89 3ii5 h TYR 639 Ca 0.45 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.36 3ii5 h TYR 639 Cb 0.73 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 3ii5 h TYR 639 CO -0.00 0.33 0.63 0.00 -1.64 0.00 0.00 178.16 177.47 3ii5 h ALA 640 N 0.94 1.32 -0.92 1.82 0.00 -0.95 -0.87 119.26 120.59 3ii5 h ALA 640 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ii5 h ALA 640 Cb 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3ii5 h ALA 640 CO -0.01 0.45 0.61 0.35 0.00 0.00 0.00 179.25 180.65 3ii5 h PHE 641 N 1.17 1.16 -0.87 0.00 3.57 -0.75 -1.66 116.94 119.56 3ii5 h PHE 641 Ca 0.41 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.01 3ii5 h PHE 641 Cb 0.10 -0.39 -0.07 0.00 2.79 0.00 0.00 35.95 38.38 3ii5 h PHE 641 CO -0.01 0.73 0.53 0.78 -2.23 0.00 0.00 178.31 178.11 3ii5 h GLY 642 N 1.25 1.34 0.83 2.40 0.00 -0.23 0.77 103.07 109.43 3ii5 h GLY 642 Ca 0.34 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ii5 h GLY 642 CO -0.07 0.20 0.02 -2.22 0.00 0.00 0.00 176.54 174.47 3ii5 h ILE 643 N 0.92 1.16 -0.55 2.60 1.08 -0.90 -0.60 117.51 121.22 3ii5 h ILE 643 Ca 0.40 -0.49 0.11 0.00 -0.39 0.00 0.00 64.86 64.49 3ii5 h ILE 643 Cb 0.28 1.37 -0.10 0.00 -3.07 0.00 0.00 36.82 35.30 3ii5 h ILE 643 CO -0.21 0.14 -0.08 0.58 -0.69 0.00 0.00 178.15 177.89 3ii5 h VAL 644 N -0.08 0.49 -0.56 1.67 2.07 -0.54 0.36 116.25 119.66 3ii5 h VAL 644 Ca 0.02 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3ii5 h VAL 644 Cb 0.20 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3ii5 h VAL 644 CO -0.00 0.01 0.14 -0.07 0.02 0.00 0.00 177.57 177.67 3ii5 h LEU 645 N 0.05 0.07 0.17 2.57 3.38 -0.57 0.81 115.31 121.78 3ii5 h LEU 645 Ca 0.28 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.35 3ii5 h LEU 645 Cb 0.43 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3ii5 h LEU 645 CO -0.53 0.05 -0.30 0.22 0.09 0.00 0.00 178.44 177.97 3ii5 h TYR 646 N 0.29 -0.82 -0.85 1.13 3.20 0.90 -1.28 116.97 119.54 3ii5 h TYR 646 Ca 0.29 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.38 3ii5 h TYR 646 Cb 0.39 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 38.86 3ii5 h TYR 646 CO -0.22 -0.42 0.23 0.93 -1.64 0.00 0.00 178.16 177.05 3ii5 h GLU 647 N -0.56 0.23 0.17 1.82 5.08 0.43 -1.25 114.58 120.50 3ii5 h GLU 647 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ii5 h GLU 647 Cb 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ii5 h GLU 647 CO -0.14 0.16 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.87 3ii5 h LEU 648 N 0.24 -0.19 0.00 1.33 3.38 -0.11 0.37 115.31 120.33 3ii5 h LEU 648 Ca 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3ii5 h LEU 648 Cb 1.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ii5 h LEU 648 CO -0.61 -0.01 0.00 0.23 0.09 0.00 0.00 178.44 178.14 3ii5 n MET 649 N -5.12 0.51 0.00 1.13 2.81 -0.55 -3.75 117.12 112.14 3ii5 n MET 649 Ca -0.09 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3ii5 n MET 649 Cb 0.16 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3ii5 n MET 649 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ii5 n THR 650 N -1.21 0.00 -1.01 2.03 -2.24 -0.53 -2.07 114.28 109.26 3ii5 n THR 650 Ca 0.15 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3ii5 n THR 650 Cb 0.18 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3ii5 n THR 650 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii5 n GLY 651 N 2.91 0.43 3.36 3.38 0.00 0.13 -4.97 105.19 110.44 3ii5 n GLY 651 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3ii5 n GLY 651 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ii5 s GLN 652 N -0.43 1.36 0.14 1.61 -0.21 -1.24 -4.65 119.66 116.23 3ii5 s GLN 652 Ca 0.00 -1.57 -0.17 0.00 0.02 0.00 0.00 55.36 53.64 3ii5 s GLN 652 Cb 0.00 -1.25 -0.07 0.00 1.00 0.00 0.00 33.01 32.69 3ii5 s GLN 652 CO 0.00 0.22 0.59 -0.51 -2.12 0.00 0.00 175.29 173.47 3ii5 s LEU 653 N -3.20 4.39 0.67 2.90 1.43 -1.26 -4.12 118.68 119.50 3ii5 s LEU 653 Ca 0.22 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 3ii5 s LEU 653 Cb -0.02 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.98 3ii5 s LEU 653 CO 0.08 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.76 3ii5 s PRO 654 N -1.71 2.66 -1.27 1.29 0.04 -1.26 -3.74 135.00 131.00 3ii5 s PRO 654 Ca 0.36 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 3ii5 s PRO 654 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3ii5 s PRO 654 CO 0.19 -1.37 0.51 0.66 0.04 0.00 0.00 177.00 177.03 3ii5 n TYR 655 N -2.50 -1.62 0.30 0.56 4.01 -1.26 -4.89 117.16 111.76 3ii5 n TYR 655 Ca 0.11 0.44 0.16 0.00 -0.16 0.00 0.00 57.90 58.45 3ii5 n TYR 655 Cb 0.52 -3.88 0.95 0.00 -0.31 0.00 0.00 39.34 36.61 3ii5 n TYR 655 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ii5 h SER 656 N -1.16 0.00 -0.58 7.72 4.64 -2.01 -2.53 113.55 119.63 3ii5 h SER 656 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ii5 h SER 656 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ii5 h SER 656 CO 0.47 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 3ii5 n ASN 657 N -3.68 4.17 -4.18 4.97 6.94 -1.26 -4.77 115.26 117.45 3ii5 n ASN 657 Ca -0.03 -2.35 -0.33 0.00 -0.02 0.00 0.00 54.58 51.85 3ii5 n ASN 657 Cb 0.10 -0.53 -0.16 0.00 -2.36 0.00 0.00 39.78 36.83 3ii5 n ASN 657 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ii5 s ILE 658 N -1.75 2.18 -2.43 1.53 1.01 -0.95 -5.02 121.20 115.77 3ii5 s ILE 658 Ca 0.45 -0.93 0.22 0.00 0.00 0.00 0.00 60.65 60.39 3ii5 s ILE 658 Cb 0.28 -1.88 0.38 0.00 0.01 0.00 0.00 42.46 41.25 3ii5 s ILE 658 CO 0.22 0.54 1.35 -0.46 0.00 0.00 0.00 174.94 176.60 3ii5 n ASN 659 N 4.14 3.34 -4.26 3.58 0.23 -1.26 -4.89 115.26 116.14 3ii5 n ASN 659 Ca -0.20 -1.97 -0.36 0.00 -0.53 0.00 0.00 54.58 51.52 3ii5 n ASN 659 Cb 0.51 -0.21 -0.13 0.00 -2.08 0.00 0.00 39.78 37.87 3ii5 n ASN 659 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ii5 s ASN 660 N -1.50 4.96 0.13 0.53 3.84 -1.26 -5.00 114.94 116.64 3ii5 s ASN 660 Ca 0.36 -0.97 -0.17 0.00 0.21 0.00 0.00 52.86 52.28 3ii5 s ASN 660 Cb 0.22 -1.80 -0.03 0.00 -0.55 0.00 0.00 41.25 39.09 3ii5 s ASN 660 CO 0.30 -0.23 1.69 -0.09 -2.79 0.00 0.00 177.10 175.99 3ii5 h ARG 661 N 8.14 0.49 -0.52 0.43 2.43 -2.00 -2.51 114.38 120.83 3ii5 h ARG 661 Ca -0.27 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3ii5 h ARG 661 Cb 1.10 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 3ii5 h ARG 661 CO 0.58 0.45 0.32 -0.44 -1.51 0.00 0.00 179.97 179.38 3ii5 h ASP 662 N 0.41 0.54 -0.86 -3.80 3.32 -1.99 -1.79 116.42 112.24 3ii5 h ASP 662 Ca 0.12 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3ii5 h ASP 662 Cb 0.13 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3ii5 h ASP 662 CO -0.01 0.38 0.57 1.56 -1.72 0.00 0.00 179.24 180.01 3ii5 h GLN 663 N 0.65 1.14 0.09 3.56 1.08 -1.96 -0.23 115.11 119.45 3ii5 h GLN 663 Ca 0.20 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3ii5 h GLN 663 Cb -0.01 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.16 3ii5 h GLN 663 CO -0.08 0.76 -0.05 0.82 -0.95 0.00 0.00 178.83 179.33 3ii5 h ILE 664 N 1.17 0.88 -0.15 2.54 2.04 -1.07 -0.39 117.51 122.54 3ii5 h ILE 664 Ca 0.32 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.22 3ii5 h ILE 664 Cb -0.12 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3ii5 h ILE 664 CO -0.07 0.00 -0.24 0.40 0.00 0.00 0.00 178.15 178.24 3ii5 h ILE 665 N -0.14 0.42 -0.42 -0.67 2.04 -0.90 -1.44 117.51 116.39 3ii5 h ILE 665 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3ii5 h ILE 665 Cb 0.12 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3ii5 h ILE 665 CO 0.01 0.00 0.12 0.15 0.00 0.00 0.00 178.15 178.43 3ii5 h PHE 666 N -0.29 0.20 -0.06 1.37 3.57 -0.89 -2.60 116.94 118.24 3ii5 h PHE 666 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3ii5 h PHE 666 Cb 0.45 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3ii5 h PHE 666 CO -0.35 0.06 -0.21 0.52 -2.23 0.00 0.00 178.31 176.10 3ii5 h MET 667 N 0.27 0.24 -0.80 1.11 2.86 -0.50 -2.76 114.93 115.34 3ii5 h MET 667 Ca 0.20 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3ii5 h MET 667 Cb 0.22 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3ii5 h MET 667 CO -0.23 0.82 0.53 0.28 1.06 0.00 0.00 176.91 179.36 3ii5 h VAL 668 N -0.29 1.13 -0.19 -2.22 2.07 -1.35 -0.70 116.25 114.70 3ii5 h VAL 668 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3ii5 h VAL 668 Cb 0.84 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3ii5 h VAL 668 CO 0.04 0.18 0.18 1.23 0.02 0.00 0.00 177.57 179.22 3ii5 h GLY 669 N 0.99 0.00 -0.75 2.17 0.00 -1.25 -2.49 103.07 101.74 3ii5 h GLY 669 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3ii5 h GLY 669 CO -0.09 0.00 -0.26 0.54 0.00 0.00 0.00 176.54 176.72 3ii5 n ARG 670 N -4.01 1.69 -1.02 4.80 5.12 -0.36 -4.75 116.66 118.13 3ii5 n ARG 670 Ca 0.02 -0.85 -0.01 0.00 -1.93 0.00 0.00 57.85 55.08 3ii5 n ARG 670 Cb 0.31 -1.24 -0.00 0.00 -1.16 0.00 0.00 32.46 30.37 3ii5 n ARG 670 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ii5 n GLY 671 N 1.06 0.46 0.10 -0.13 0.00 -0.65 -4.91 105.19 101.13 3ii5 n GLY 671 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 3ii5 n GLY 671 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ii5 h TYR 672 N 0.00 0.00 -4.09 1.61 0.05 -1.63 -3.46 116.97 109.45 3ii5 h TYR 672 Ca -0.01 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.10 3ii5 h TYR 672 Cb 0.06 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.56 3ii5 h TYR 672 CO 0.03 0.70 -0.87 -1.17 -1.05 0.00 0.00 178.16 175.80 3ii5 s LEU 673 N -6.42 2.24 0.04 3.88 2.96 -1.19 -4.99 118.68 115.21 3ii5 s LEU 673 Ca 0.02 -0.66 -0.27 0.00 -0.22 0.00 0.00 54.13 52.99 3ii5 s LEU 673 Cb 0.08 -1.20 0.09 0.00 0.50 0.00 0.00 46.19 45.67 3ii5 s LEU 673 CO 0.78 0.20 0.76 -0.94 -1.32 0.00 0.00 176.35 175.83 3ii5 s SER 674 N -1.64 -0.48 0.63 3.68 1.04 -1.26 -4.39 113.70 111.27 3ii5 s SER 674 Ca 0.12 0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.50 3ii5 s SER 674 Cb -0.10 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3ii5 s SER 674 CO 0.04 -0.73 1.30 -2.84 0.98 0.00 0.00 173.24 171.99 3ii5 s PRO 675 N -2.92 2.68 -0.75 4.02 0.02 -1.26 -4.89 135.00 131.90 3ii5 s PRO 675 Ca 0.01 2.08 -0.25 0.00 0.02 0.00 0.00 61.00 62.86 3ii5 s PRO 675 Cb -0.01 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.65 3ii5 s PRO 675 CO -0.07 -1.50 1.19 0.34 -0.33 0.00 0.00 177.00 176.63 3ii5 s ASP 676 N -1.34 6.23 0.40 2.53 -1.08 -1.26 -4.89 116.67 117.27 3ii5 s ASP 676 Ca 0.81 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 52.16 3ii5 s ASP 676 Cb -0.38 -2.51 0.85 0.00 -1.46 0.00 0.00 42.92 39.43 3ii5 s ASP 676 CO 0.40 -1.64 1.89 -0.07 0.52 0.00 0.00 175.17 176.28 3ii5 h LEU 677 N 12.33 0.00 0.00 -1.34 3.38 -2.03 -2.64 115.31 125.01 3ii5 h LEU 677 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ii5 h LEU 677 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ii5 h LEU 677 CO 1.26 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 178.54 3ii5 n SER 678 N -4.13 0.00 -0.92 -0.43 3.41 -1.26 -1.96 113.62 108.33 3ii5 n SER 678 Ca -0.02 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.34 3ii5 n SER 678 Cb 0.35 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.57 3ii5 n SER 678 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ii5 n LYS 679 N -0.80 2.20 -2.59 4.33 5.02 -1.00 -4.92 118.16 120.40 3ii5 n LYS 679 Ca 0.04 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.10 3ii5 n LYS 679 Cb 0.02 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 3ii5 n LYS 679 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3ii5 s VAL 680 N -1.61 4.32 0.48 -0.18 -7.23 -0.83 -4.64 120.40 110.71 3ii5 s VAL 680 Ca 0.36 1.79 -0.24 0.00 -1.81 0.00 0.00 61.98 62.08 3ii5 s VAL 680 Cb 0.20 -4.15 -0.08 0.00 0.56 0.00 0.00 36.38 32.92 3ii5 s VAL 680 CO 0.29 0.21 1.29 0.54 -0.31 0.00 0.00 175.10 177.12 3ii5 n ARG 681 N 3.28 1.81 0.16 4.82 1.74 -0.88 -4.88 116.66 122.71 3ii5 n ARG 681 Ca 0.05 0.65 0.12 0.00 -0.77 0.00 0.00 57.85 57.91 3ii5 n ARG 681 Cb 0.48 -2.45 0.65 0.00 -1.02 0.00 0.00 32.46 30.12 3ii5 n ARG 681 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ii5 h SER 682 N 1.78 0.01 0.00 0.55 4.64 -1.94 -1.32 113.55 117.28 3ii5 h SER 682 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3ii5 h SER 682 Cb 1.30 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ii5 h SER 682 CO 0.58 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 3ii5 n ASN 683 N -4.48 0.00 -4.58 4.97 6.94 -1.26 -4.73 115.26 112.12 3ii5 n ASN 683 Ca 0.02 -1.07 -0.43 0.00 -0.02 0.00 0.00 54.58 53.08 3ii5 n ASN 683 Cb 0.28 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 3ii5 n ASN 683 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ii5 n PRO 685 N 6.97 1.16 -0.36 0.00 -0.02 -1.26 -4.76 135.00 136.72 3ii5 n PRO 685 Ca 0.06 0.41 0.27 0.00 -2.02 0.00 0.00 63.50 62.23 3ii5 n PRO 685 Cb 0.48 -1.97 0.54 0.00 -0.02 0.00 0.00 33.50 32.53 3ii5 n PRO 685 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ii5 h LYS 686 N 3.88 0.28 0.00 -0.52 1.57 -1.94 0.26 116.57 120.10 3ii5 h LYS 686 Ca -0.45 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.25 3ii5 h LYS 686 Cb 1.34 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3ii5 h LYS 686 CO 0.73 0.19 -0.32 0.00 -0.57 0.00 0.00 179.45 179.49 3ii5 h ALA 687 N 1.68 0.95 -0.09 3.86 0.00 -1.99 -1.59 119.26 122.08 3ii5 h ALA 687 Ca 0.70 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 3ii5 h ALA 687 Cb 1.86 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.61 3ii5 h ALA 687 CO -0.42 0.39 -0.47 1.98 0.00 0.00 0.00 179.25 180.73 3ii5 h MET 688 N 0.00 0.48 -0.27 0.00 1.85 -0.83 -1.10 114.93 115.08 3ii5 h MET 688 Ca -0.00 -0.40 -0.08 0.00 -0.61 0.00 0.00 59.70 58.61 3ii5 h MET 688 Cb 0.91 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 3ii5 h MET 688 CO 0.04 1.03 -0.20 -0.22 -0.40 0.00 0.00 176.91 177.16 3ii5 h LYS 689 N 0.06 0.48 -0.30 0.39 3.64 -1.34 0.28 116.57 119.77 3ii5 h LYS 689 Ca -0.03 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 3ii5 h LYS 689 Cb 1.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3ii5 h LYS 689 CO 0.10 0.66 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.83 3ii5 h ARG 690 N 0.43 0.54 -0.68 1.90 2.43 -1.31 -2.00 114.38 115.70 3ii5 h ARG 690 Ca 0.07 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3ii5 h ARG 690 Cb 0.59 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3ii5 h ARG 690 CO 0.04 0.70 0.20 1.25 -1.51 0.00 0.00 179.97 180.65 3ii5 h LEU 691 N 0.33 1.00 -0.75 3.80 5.85 -0.75 -2.69 115.31 122.10 3ii5 h LEU 691 Ca 0.08 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3ii5 h LEU 691 Cb 0.46 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3ii5 h LEU 691 CO 0.02 0.95 0.49 -0.03 -0.34 0.00 0.00 178.44 179.52 3ii5 h MET 692 N 1.00 0.95 0.00 1.25 4.05 -0.41 -2.62 114.93 119.14 3ii5 h MET 692 Ca 0.22 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.52 3ii5 h MET 692 Cb 0.31 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3ii5 h MET 692 CO -0.00 0.63 -0.29 0.00 0.23 0.00 0.00 176.91 177.47 3ii5 h ALA 693 N 1.29 1.14 0.00 0.39 0.00 -1.10 -2.66 119.26 118.32 3ii5 h ALA 693 Ca 0.29 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3ii5 h ALA 693 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ii5 h ALA 693 CO -0.08 0.36 -0.85 0.93 0.00 0.00 0.00 179.25 179.61 3ii5 h GLU 694 N 0.00 0.00 0.00 0.00 5.08 -1.16 -3.05 114.58 115.45 3ii5 h GLU 694 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3ii5 h GLU 694 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3ii5 h GLU 694 CO 0.04 0.85 -0.30 0.00 -1.00 0.00 0.00 179.01 178.59 3ii5 n LEU 696 N -3.27 2.26 -4.48 0.00 4.77 -1.07 -3.70 117.00 111.51 3ii5 n LEU 696 Ca 0.01 -0.75 -0.52 0.00 -0.03 0.00 0.00 56.01 54.72 3ii5 n LEU 696 Cb 0.57 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3ii5 n LEU 696 CO 0.36 0.38 0.35 0.29 -1.33 0.00 0.00 177.39 177.44 3ii5 n LYS 697 N 0.77 0.28 0.22 3.23 4.76 -1.16 -4.83 118.16 121.43 3ii5 n LYS 697 Ca 0.16 0.10 0.09 0.00 -2.87 0.00 0.00 58.31 55.80 3ii5 n LYS 697 Cb 0.48 -1.38 0.43 0.00 -1.84 0.00 0.00 35.03 32.72 3ii5 n LYS 697 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3ii5 h LYS 698 N 2.17 0.00 -4.59 1.97 1.57 -1.93 -3.41 116.57 112.35 3ii5 h LYS 698 Ca -0.39 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.67 3ii5 h LYS 698 Cb 1.41 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.52 3ii5 h LYS 698 CO 0.62 0.25 -0.32 0.15 -0.57 0.00 0.00 179.45 179.57 3ii5 s LYS 699 N -3.63 3.01 0.22 3.15 1.02 -1.26 -4.78 119.74 117.47 3ii5 s LYS 699 Ca 0.01 -1.00 -0.06 0.00 0.02 0.00 0.00 55.97 54.93 3ii5 s LYS 699 Cb 0.10 -4.01 0.36 0.00 -0.52 0.00 0.00 37.83 33.76 3ii5 s LYS 699 CO 0.64 -0.86 1.21 -2.13 -0.92 0.00 0.00 175.35 173.30 3ii5 n ARG 700 N 5.34 -0.07 0.24 1.68 0.63 -1.26 0.22 116.66 123.44 3ii5 n ARG 700 Ca -0.10 1.21 0.16 0.00 -0.92 0.00 0.00 57.85 58.20 3ii5 n ARG 700 Cb 0.46 -1.81 0.76 0.00 0.45 0.00 0.00 32.46 32.33 3ii5 n ARG 700 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3ii5 h ASP 701 N 0.00 0.00 0.18 6.15 3.32 -1.95 -2.18 116.42 121.94 3ii5 h ASP 701 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3ii5 h ASP 701 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ii5 h ASP 701 CO -0.80 0.00 -0.20 -0.62 -1.72 0.00 0.00 179.24 175.90 3ii5 n GLU 702 N -2.73 1.02 -3.18 3.56 1.02 0.13 -4.90 120.64 115.57 3ii5 n GLU 702 Ca -0.00 -0.60 -0.38 0.00 -0.02 0.00 0.00 57.16 56.16 3ii5 n GLU 702 Cb 0.18 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3ii5 n GLU 702 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ii5 s ARG 703 N -2.39 4.27 0.78 3.49 0.52 -0.82 -4.96 118.95 119.84 3ii5 s ARG 703 Ca 0.27 0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 56.21 3ii5 s ARG 703 Cb 0.20 -3.13 0.06 0.00 0.52 0.00 0.00 34.95 32.60 3ii5 s ARG 703 CO 0.48 0.55 1.09 -1.25 0.02 0.00 0.00 175.30 176.19 3ii5 s PRO 704 N -1.41 2.25 0.43 3.54 0.04 -1.26 -5.02 135.00 133.57 3ii5 s PRO 704 Ca 0.35 0.69 0.08 0.00 0.04 0.00 0.00 61.00 62.15 3ii5 s PRO 704 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3ii5 s PRO 704 CO 0.21 -1.52 0.50 -0.51 0.04 0.00 0.00 177.00 175.72 3ii5 s LEU 705 N -5.73 3.48 0.18 -3.56 1.43 -1.26 -4.91 118.68 108.31 3ii5 s LEU 705 Ca 0.60 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 3ii5 s LEU 705 Cb -0.14 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.86 3ii5 s LEU 705 CO 0.54 -0.77 1.65 -0.26 0.23 0.00 0.00 176.35 177.75 3ii5 h PHE 706 N 0.78 1.14 -0.74 0.29 0.04 -1.95 -1.09 116.94 115.40 3ii5 h PHE 706 Ca -0.40 -0.18 0.15 0.00 2.80 0.00 0.00 57.97 60.34 3ii5 h PHE 706 Cb 1.28 -0.30 -0.14 0.00 2.20 0.00 0.00 35.95 38.98 3ii5 h PHE 706 CO 0.47 0.99 -0.17 -1.35 -0.60 0.00 0.00 178.31 177.65 3ii5 h PRO 707 N 0.96 0.01 -0.39 1.51 0.11 -1.93 0.34 132.00 132.61 3ii5 h PRO 707 Ca 0.18 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 3ii5 h PRO 707 Cb 0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3ii5 h PRO 707 CO 0.02 0.01 -0.32 0.37 -0.21 0.00 0.00 178.00 177.87 3ii5 h GLN 708 N 0.01 0.90 0.12 1.05 4.15 -1.79 -2.46 115.11 117.08 3ii5 h GLN 708 Ca 0.36 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3ii5 h GLN 708 Cb 0.56 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 3ii5 h GLN 708 CO -0.75 1.10 -0.07 0.82 -1.93 0.00 0.00 178.83 178.00 3ii5 h ILE 709 N 0.71 0.85 -0.15 2.39 2.04 -0.45 -1.06 117.51 121.84 3ii5 h ILE 709 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3ii5 h ILE 709 Cb 0.91 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ii5 h ILE 709 CO 0.08 0.00 0.07 0.25 0.00 0.00 0.00 178.15 178.55 3ii5 h LEU 710 N -0.18 0.10 0.27 1.44 5.85 -0.34 -0.94 115.31 121.51 3ii5 h LEU 710 Ca -0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ii5 h LEU 710 Cb 0.15 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ii5 h LEU 710 CO 0.01 0.08 -0.44 0.00 -0.34 0.00 0.00 178.44 177.76 3ii5 h ALA 711 N 1.08 -0.87 -0.96 1.25 0.00 -1.41 0.23 119.26 118.59 3ii5 h ALA 711 Ca 0.06 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.16 3ii5 h ALA 711 Cb 0.02 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 3ii5 h ALA 711 CO -0.05 -1.04 0.38 1.03 0.00 0.00 0.00 179.25 179.57 3ii5 h SER 712 N -0.77 0.17 0.15 0.00 0.87 -0.90 0.11 113.55 113.17 3ii5 h SER 712 Ca -0.01 0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.48 3ii5 h SER 712 Cb 0.74 0.25 0.02 0.00 -0.44 0.00 0.00 62.40 62.97 3ii5 h SER 712 CO -0.16 -0.22 -1.15 0.40 -0.53 0.00 0.00 176.83 175.17 3ii5 h ILE 713 N 0.19 1.31 -0.99 2.23 2.04 -0.36 -2.92 117.51 119.02 3ii5 h ILE 713 Ca 0.67 -2.43 0.10 0.00 1.00 0.00 0.00 64.86 64.20 3ii5 h ILE 713 Cb 1.52 2.58 -0.08 0.00 -0.74 0.00 0.00 36.82 40.10 3ii5 h ILE 713 CO -0.69 0.74 0.62 -0.33 0.00 0.00 0.00 178.15 178.49 3ii5 h GLU 714 N 0.29 0.99 -0.47 2.37 5.08 0.14 -1.16 114.58 121.82 3ii5 h GLU 714 Ca -0.15 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3ii5 h GLU 714 Cb 1.81 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 3ii5 h GLU 714 CO 0.22 0.66 -0.16 1.25 -1.00 0.00 0.00 179.01 179.97 3ii5 h LEU 715 N 1.02 0.91 0.00 1.33 5.85 -0.82 -2.90 115.31 120.70 3ii5 h LEU 715 Ca 0.47 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ii5 h LEU 715 Cb 0.39 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3ii5 h LEU 715 CO -0.24 1.06 -0.39 0.00 -0.34 0.00 0.00 178.44 178.53 3ii5 n LEU 716 N -4.13 0.60 0.09 2.25 -0.00 -1.04 -3.54 117.00 111.23 3ii5 n LEU 716 Ca 0.01 0.29 -0.07 0.00 -0.00 0.00 0.00 56.01 56.24 3ii5 n LEU 716 Cb 0.42 -0.26 -0.02 0.00 -0.00 0.00 0.00 43.42 43.56 3ii5 n LEU 716 CO 0.45 -0.04 0.25 0.00 -0.00 0.00 0.00 177.39 178.05 3ii5 h ALA 717 N 2.66 0.54 0.13 1.47 0.00 -1.02 -3.33 119.26 119.71 3ii5 h ALA 717 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 3ii5 h ALA 717 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ii5 h ALA 717 CO 0.00 1.01 -0.06 0.00 0.00 0.00 0.00 179.25 180.20 3ii5 h ARG 718 N 0.04 -0.17 -2.21 0.00 3.08 -1.57 -3.33 114.38 110.22 3ii5 h ARG 718 Ca -0.03 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3ii5 h ARG 718 Cb 1.54 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 3ii5 h ARG 718 CO 0.12 -0.11 -0.07 -1.13 -1.07 0.00 0.00 179.97 177.71 3ii5 n SER 719 N -2.84 3.62 -0.64 7.04 3.41 -1.24 -5.16 113.62 117.81 3ii5 n SER 719 Ca -0.02 -2.11 0.08 0.00 -0.26 0.00 0.00 58.87 56.56 3ii5 n SER 719 Cb 0.07 -0.91 0.07 0.00 -0.26 0.00 0.00 64.21 63.17 3ii5 n SER 719 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77