#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzr s LEU 468 N 0.00 1.70 0.83 -4.62 1.43 -1.26 -5.13 118.68 111.63 2pzr s LEU 468 Ca 0.00 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2pzr s LEU 468 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2pzr s LEU 468 CO 0.00 -0.16 0.26 -2.65 0.23 0.00 0.00 176.35 174.03 2pzr n PRO 469 N 4.83 0.04 -4.14 1.29 -0.02 -1.26 -4.92 135.00 130.82 2pzr n PRO 469 Ca -0.13 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 2pzr n PRO 469 Cb 0.48 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 2pzr n PRO 469 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2pzr s GLU 470 N -2.85 3.51 -0.69 -0.52 2.12 -1.26 -5.00 118.70 114.02 2pzr s GLU 470 Ca 0.58 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.63 2pzr s GLU 470 Cb -0.29 -3.04 0.18 0.00 0.26 0.00 0.00 34.13 31.25 2pzr s GLU 470 CO 0.65 0.52 0.54 -3.47 -0.54 0.00 0.00 175.26 172.96 2pzr n ASP 471 N 2.74 3.04 -0.33 -1.70 4.64 -1.26 -4.98 116.55 118.71 2pzr n ASP 471 Ca -0.18 -3.23 0.21 0.00 -1.38 0.00 0.00 54.79 50.21 2pzr n ASP 471 Cb 0.53 -0.74 0.40 0.00 -1.04 0.00 0.00 41.12 40.28 2pzr n ASP 471 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2pzr n PRO 472 N 1.78 -0.07 -0.14 -0.67 -0.02 -1.26 -0.73 135.00 133.89 2pzr n PRO 472 Ca 0.22 1.42 0.04 0.00 -2.02 0.00 0.00 63.50 63.16 2pzr n PRO 472 Cb 0.37 -2.37 0.34 0.00 -0.02 0.00 0.00 33.50 31.82 2pzr n PRO 472 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2pzr h LYS 473 N 0.00 0.75 0.00 -0.52 2.10 -2.02 -2.98 116.57 113.90 2pzr h LYS 473 Ca 0.69 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 59.21 2pzr h LYS 473 Cb 1.62 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.76 2pzr h LYS 473 CO -0.85 0.50 -1.70 0.91 -2.00 0.00 0.00 179.45 176.31 2pzr n TRP 474 N -4.46 0.43 -1.66 0.07 7.02 0.10 -4.98 117.44 113.96 2pzr n TRP 474 Ca 0.08 0.13 -0.40 0.00 -1.02 0.00 0.00 57.50 56.29 2pzr n TRP 474 Cb 0.12 -0.80 0.02 0.00 -2.42 0.00 0.00 31.31 28.24 2pzr n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2pzr n GLU 475 N -2.55 1.51 -4.46 -0.99 4.07 -0.38 -1.33 120.64 116.51 2pzr n GLU 475 Ca -0.08 0.55 -0.22 0.00 -0.06 0.00 0.00 57.16 57.34 2pzr n GLU 475 Cb 0.70 -2.25 -0.16 0.00 -0.06 0.00 0.00 31.44 29.66 2pzr n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2pzr s PHE 476 N -1.30 1.17 -0.50 4.31 5.36 -0.75 -4.72 117.98 121.55 2pzr s PHE 476 Ca 0.66 -0.36 -0.32 0.00 -0.96 0.00 0.00 56.93 55.94 2pzr s PHE 476 Cb -0.49 -0.86 -0.12 0.00 -0.34 0.00 0.00 43.02 41.20 2pzr s PHE 476 CO 0.54 -0.19 2.34 -2.30 -1.46 0.00 0.00 175.22 174.15 2pzr n PRO 477 N 3.61 0.87 -0.12 10.12 -0.02 -1.26 -4.47 135.00 143.74 2pzr n PRO 477 Ca -0.21 0.17 0.27 0.00 -2.02 0.00 0.00 63.50 61.70 2pzr n PRO 477 Cb 0.52 -2.52 0.71 0.00 -0.02 0.00 0.00 33.50 32.20 2pzr n PRO 477 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2pzr h ARG 478 N 14.03 0.00 -0.00 -0.52 2.43 -1.96 0.40 114.38 128.77 2pzr h ARG 478 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2pzr h ARG 478 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2pzr h ARG 478 CO 1.12 0.00 -0.06 -0.40 -1.51 0.00 0.00 179.97 179.12 2pzr n ASP 479 N -3.96 0.44 0.01 -3.80 5.75 -1.26 -3.28 116.55 110.44 2pzr n ASP 479 Ca 0.16 -0.70 0.11 0.00 -0.01 0.00 0.00 54.79 54.35 2pzr n ASP 479 Cb 0.95 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.97 2pzr n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pzr n LYS 480 N -0.88 0.13 -3.72 0.11 4.76 0.14 -4.92 118.16 113.79 2pzr n LYS 480 Ca 0.17 -0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 2pzr n LYS 480 Cb 0.25 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 2pzr n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pzr s LEU 481 N -3.39 4.42 -0.38 -0.35 2.96 -1.21 -1.82 118.68 118.92 2pzr s LEU 481 Ca 0.06 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 2pzr s LEU 481 Cb 0.16 -2.32 0.12 0.00 0.50 0.00 0.00 46.19 44.64 2pzr s LEU 481 CO 0.81 0.36 0.16 -0.89 -1.32 0.00 0.00 176.35 175.48 2pzr s THR 482 N -1.07 1.35 0.92 3.68 2.01 -0.60 -4.95 115.64 116.98 2pzr s THR 482 Ca 0.19 -2.11 -0.12 0.00 0.31 0.00 0.00 61.69 59.97 2pzr s THR 482 Cb -0.14 -1.98 0.09 0.00 0.01 0.00 0.00 72.50 70.48 2pzr s THR 482 CO 0.09 -0.77 0.79 0.18 -0.69 0.00 0.00 174.62 174.21 2pzr n LEU 483 N 4.12 1.67 0.00 4.42 4.77 -1.26 -1.97 117.00 128.75 2pzr n LEU 483 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2pzr n LEU 483 Cb 0.38 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2pzr n LEU 483 CO 0.19 -2.85 0.00 0.61 -1.33 0.00 0.00 177.39 174.01 2pzr n GLY 484 N 0.90 4.12 3.74 -0.72 0.00 -0.23 -4.87 105.19 108.13 2pzr n GLY 484 Ca 0.10 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2pzr n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pzr s LYS 485 N 3.92 2.82 0.31 1.61 0.00 -1.26 -4.55 119.74 122.59 2pzr s LYS 485 Ca 0.00 2.14 -0.25 0.00 0.00 0.00 0.00 55.97 57.86 2pzr s LYS 485 Cb 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 37.83 35.71 2pzr s LYS 485 CO 0.00 -1.41 0.91 -2.14 0.00 0.00 0.00 175.35 172.71 2pzr s PRO 486 N -3.17 4.52 -0.21 1.78 0.02 -1.26 -0.41 135.00 136.27 2pzr s PRO 486 Ca 0.78 1.25 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 2pzr s PRO 486 Cb -0.39 -2.79 -0.18 0.00 0.02 0.00 0.00 34.50 31.16 2pzr s PRO 486 CO 0.43 0.29 0.14 1.28 -0.33 0.00 0.00 177.00 178.81 2pzr n LEU 487 N 0.55 1.87 -4.70 -5.54 4.77 -1.26 -4.84 117.00 107.85 2pzr n LEU 487 Ca 0.01 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 2pzr n LEU 487 Cb 0.50 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2pzr n LEU 487 CO 0.44 0.28 0.62 -1.58 -1.33 0.00 0.00 177.39 175.82 2pzr s GLN 494 N -2.38 4.45 -0.03 3.23 0.74 -1.17 -4.99 119.66 119.50 2pzr s GLN 494 Ca -0.29 1.20 0.03 0.00 0.05 0.00 0.00 55.36 56.35 2pzr s GLN 494 Cb 0.07 -3.50 -0.00 0.00 1.10 0.00 0.00 33.01 30.68 2pzr s GLN 494 CO 0.57 -0.13 -0.13 0.08 -0.55 0.00 0.00 175.29 175.12 2pzr s VAL 495 N 1.40 1.12 0.08 1.34 1.01 -1.26 -0.41 120.40 123.67 2pzr s VAL 495 Ca 0.45 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2pzr s VAL 495 Cb -0.19 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2pzr s VAL 495 CO 0.20 0.33 -0.08 0.68 0.00 0.00 0.00 175.10 176.24 2pzr s VAL 496 N 0.08 0.69 0.56 2.92 -7.23 0.72 -4.65 120.40 113.50 2pzr s VAL 496 Ca -0.03 -1.56 -0.16 0.00 -1.81 0.00 0.00 61.98 58.43 2pzr s VAL 496 Cb -0.10 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2pzr s VAL 496 CO 0.01 -0.62 1.03 -0.32 -0.31 0.00 0.00 175.10 174.89 2pzr s MET 497 N -2.78 3.57 0.20 4.82 1.75 0.45 0.12 119.30 127.43 2pzr s MET 497 Ca 0.02 1.09 -0.23 0.00 -1.25 0.00 0.00 55.69 55.32 2pzr s MET 497 Cb -0.02 -2.07 0.05 0.00 2.84 0.00 0.00 34.83 35.62 2pzr s MET 497 CO -0.02 -0.59 0.77 0.00 -0.65 0.00 0.00 175.02 174.52 2pzr s ALA 498 N -2.55 -1.47 -0.34 4.11 0.00 -0.37 -1.07 121.76 120.07 2pzr s ALA 498 Ca 0.61 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 2pzr s ALA 498 Cb -0.13 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.81 2pzr s ALA 498 CO 0.35 -0.95 0.09 -1.21 0.00 0.00 0.00 175.76 174.05 2pzr s GLU 499 N -3.65 2.43 -0.62 0.00 0.41 -0.83 -0.12 118.70 116.31 2pzr s GLU 499 Ca 0.08 -1.36 -0.17 0.00 -0.41 0.00 0.00 54.97 53.12 2pzr s GLU 499 Cb -0.03 -3.40 0.13 0.00 -1.78 0.00 0.00 34.13 29.05 2pzr s GLU 499 CO -0.00 -0.75 0.65 0.00 -0.49 0.00 0.00 175.26 174.67 2pzr s ALA 500 N 1.30 3.61 -0.06 5.21 0.00 0.10 -1.55 121.76 130.36 2pzr s ALA 500 Ca -0.01 -2.55 -0.30 0.00 0.00 0.00 0.00 51.96 49.10 2pzr s ALA 500 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2pzr s ALA 500 CO -0.00 -2.23 1.39 0.08 0.00 0.00 0.00 175.76 175.00 2pzr s VAL 501 N 1.85 3.90 -1.45 0.00 1.01 -0.76 -1.22 120.40 123.73 2pzr s VAL 501 Ca 0.10 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2pzr s VAL 501 Cb -0.24 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2pzr s VAL 501 CO 0.02 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2pzr n GLY 502 N 3.70 0.81 0.27 4.51 0.00 0.83 -4.87 105.19 110.44 2pzr n GLY 502 Ca 0.14 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2pzr n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pzr h ILE 503 N 0.00 0.62 -3.58 -0.61 2.10 -1.74 -3.38 117.51 110.92 2pzr h ILE 503 Ca -0.32 -0.36 -0.63 0.00 1.08 0.00 0.00 64.86 64.63 2pzr h ILE 503 Cb 1.09 1.22 -0.13 0.00 -1.09 0.00 0.00 36.82 37.90 2pzr h ILE 503 CO 0.43 0.08 0.23 -1.81 -1.08 0.00 0.00 178.15 176.00 2pzr s ASP 504 N -6.27 6.43 0.00 2.19 1.11 -1.26 -4.92 116.67 113.95 2pzr s ASP 504 Ca -0.04 0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.74 2pzr s ASP 504 Cb 0.14 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2pzr s ASP 504 CO 0.59 -0.72 0.49 0.29 1.18 0.00 0.00 175.17 177.00 2pzr n LYS 505 N 6.29 0.42 -1.28 8.23 5.02 -1.26 -1.57 118.16 134.01 2pzr n LYS 505 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2pzr n LYS 505 Cb 0.48 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2pzr n LYS 505 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2pzr n ASP 506 N 0.97 0.08 0.00 4.39 5.75 -1.26 -4.85 116.55 121.62 2pzr n ASP 506 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2pzr n ASP 506 Cb 0.21 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2pzr n ASP 506 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2pzr n LYS 507 N 0.25 0.00 0.00 0.11 -0.00 -0.61 -5.04 118.16 112.88 2pzr n LYS 507 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2pzr n LYS 507 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.97 2pzr n LYS 507 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2pzr n PRO 508 N 0.00 0.00 -0.00 -1.58 -0.02 -1.17 0.29 135.00 132.52 2pzr n PRO 508 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 2pzr n PRO 508 Cb 0.00 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2pzr n PRO 508 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pzr n LYS 509 N -0.59 2.69 -2.68 -0.52 4.01 -1.26 -4.18 118.16 115.62 2pzr n LYS 509 Ca 0.00 -0.01 -0.43 0.00 -0.51 0.00 0.00 58.31 57.36 2pzr n LYS 509 Cb 0.00 -0.87 -0.02 0.00 -0.51 0.00 0.00 35.03 33.63 2pzr n LYS 509 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2pzr s GLU 510 N -1.77 4.36 -0.60 1.97 -1.05 0.14 -4.60 118.70 117.15 2pzr s GLU 510 Ca -0.00 1.37 -0.26 0.00 -0.15 0.00 0.00 54.97 55.93 2pzr s GLU 510 Cb 0.02 -3.58 0.04 0.00 -0.44 0.00 0.00 34.13 30.17 2pzr s GLU 510 CO 0.10 -0.43 1.11 0.00 0.95 0.00 0.00 175.26 176.99 2pzr s ALA 511 N 2.44 3.02 0.03 -0.84 0.00 -1.26 -0.12 121.76 125.03 2pzr s ALA 511 Ca 0.47 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2pzr s ALA 511 Cb -0.17 -3.96 -0.06 0.00 0.00 0.00 0.00 23.12 18.93 2pzr s ALA 511 CO 0.14 -2.68 0.62 0.08 0.00 0.00 0.00 175.76 173.91 2pzr s VAL 512 N 4.69 4.81 0.04 0.00 1.01 -0.36 -4.82 120.40 125.77 2pzr s VAL 512 Ca 0.36 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2pzr s VAL 512 Cb -0.10 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2pzr s VAL 512 CO 0.21 0.45 1.03 -0.89 0.00 0.00 0.00 175.10 175.89 2pzr s THR 513 N -0.47 4.59 0.20 3.92 2.01 -1.26 0.00 115.64 124.63 2pzr s THR 513 Ca 0.32 1.92 0.04 0.00 0.31 0.00 0.00 61.69 64.28 2pzr s THR 513 Cb -0.19 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2pzr s THR 513 CO 0.19 0.19 0.14 1.33 -0.69 0.00 0.00 174.62 175.78 2pzr n VAL 514 N 3.61 0.00 -4.87 3.82 0.24 0.83 -4.45 118.33 117.51 2pzr n VAL 514 Ca 0.06 -1.39 -0.25 0.00 -2.04 0.00 0.00 64.34 60.71 2pzr n VAL 514 Cb 0.49 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.35 2pzr n VAL 514 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pzr s ALA 515 N -2.74 1.52 -0.09 2.33 0.00 -0.66 -1.24 121.76 120.88 2pzr s ALA 515 Ca 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2pzr s ALA 515 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2pzr s ALA 515 CO 0.14 0.37 -0.14 0.08 0.00 0.00 0.00 175.76 176.21 2pzr s VAL 516 N -0.44 1.39 -0.08 0.00 1.01 0.32 -0.85 120.40 121.74 2pzr s VAL 516 Ca 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2pzr s VAL 516 Cb -0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2pzr s VAL 516 CO -0.01 0.42 0.09 -0.75 0.00 0.00 0.00 175.10 174.85 2pzr s LYS 517 N 0.89 3.23 0.19 2.72 2.20 -0.37 -0.20 119.74 128.40 2pzr s LYS 517 Ca -0.09 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.05 2pzr s LYS 517 Cb -0.15 -3.00 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 2pzr s LYS 517 CO 0.00 0.73 0.53 0.00 -0.36 0.00 0.00 175.35 176.25 2pzr s MET 518 N -1.14 1.38 0.56 4.03 0.23 0.45 -1.56 119.30 123.25 2pzr s MET 518 Ca 0.16 -0.84 -0.19 0.00 -1.03 0.00 0.00 55.69 53.79 2pzr s MET 518 Cb -0.12 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.66 2pzr s MET 518 CO 0.06 -0.59 1.15 -0.51 -2.03 0.00 0.00 175.02 173.10 2pzr s LEU 519 N -2.87 3.70 0.62 0.18 1.43 -1.26 -3.06 118.68 117.42 2pzr s LEU 519 Ca 0.09 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.39 2pzr s LEU 519 Cb -0.01 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.68 2pzr s LEU 519 CO -0.03 -1.34 0.88 -0.54 0.23 0.00 0.00 176.35 175.54 2pzr s LYS 520 N -3.35 2.29 0.36 1.70 1.02 -1.26 -4.90 119.74 115.60 2pzr s LYS 520 Ca 0.73 -0.70 0.11 0.00 0.02 0.00 0.00 55.97 56.14 2pzr s LYS 520 Cb -0.25 -2.37 0.69 0.00 -0.52 0.00 0.00 37.83 35.38 2pzr s LYS 520 CO 0.29 -0.99 1.82 0.22 -0.92 0.00 0.00 175.35 175.77 2pzr h ASP 521 N -0.22 0.06 -0.47 2.83 3.58 -2.05 -2.47 116.42 117.69 2pzr h ASP 521 Ca -0.42 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 56.95 2pzr h ASP 521 Cb 1.30 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.29 2pzr h ASP 521 CO 0.52 0.41 0.08 -0.90 -2.88 0.00 0.00 179.24 176.47 2pzr n ASP 522 N -4.11 4.30 -4.65 2.28 3.85 -1.26 -4.98 116.55 111.98 2pzr n ASP 522 Ca -0.02 -2.76 -0.33 0.00 -0.71 0.00 0.00 54.79 50.97 2pzr n ASP 522 Cb 0.40 -0.65 0.13 0.00 -1.35 0.00 0.00 41.12 39.64 2pzr n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pzr n ALA 523 N 0.27 -0.40 -2.51 2.12 0.00 -0.93 -5.05 120.51 114.00 2pzr n ALA 523 Ca 0.24 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2pzr n ALA 523 Cb 1.01 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 2pzr n ALA 523 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pzr s THR 524 N -2.16 1.76 0.26 0.00 -4.23 -1.26 -5.01 115.64 105.00 2pzr s THR 524 Ca 0.71 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.47 2pzr s THR 524 Cb -0.29 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.25 2pzr s THR 524 CO 0.53 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.37 2pzr h GLU 525 N 1.19 1.00 -0.59 3.99 4.81 -2.00 -2.61 114.58 120.35 2pzr h GLU 525 Ca -0.41 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.57 2pzr h GLU 525 Cb 1.29 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2pzr h GLU 525 CO 0.67 0.81 0.05 -0.22 -0.73 0.00 0.00 179.01 179.59 2pzr h LYS 526 N 0.98 0.99 -0.83 1.92 1.63 -1.98 -1.80 116.57 117.48 2pzr h LYS 526 Ca 0.23 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2pzr h LYS 526 Cb 0.19 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 2pzr h LYS 526 CO -0.02 0.95 0.52 -0.44 -3.45 0.00 0.00 179.45 177.01 2pzr h ASP 527 N 0.92 0.97 0.21 4.20 3.32 -1.86 0.16 116.42 124.34 2pzr h ASP 527 Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2pzr h ASP 527 Cb 0.47 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2pzr h ASP 527 CO 0.02 0.73 -0.10 0.25 -1.72 0.00 0.00 179.24 178.41 2pzr h LEU 528 N 1.13 -0.24 -1.83 1.55 5.85 -1.27 -0.70 115.31 119.80 2pzr h LEU 528 Ca 0.30 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2pzr h LEU 528 Cb -0.09 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2pzr h LEU 528 CO -0.06 0.24 0.24 0.77 -0.34 0.00 0.00 178.44 179.29 2pzr h SER 529 N -0.81 0.18 -0.19 1.25 4.64 -1.22 -0.71 113.55 116.70 2pzr h SER 529 Ca -0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2pzr h SER 529 Cb 0.51 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2pzr h SER 529 CO 0.05 0.12 -0.19 0.44 -0.87 0.00 0.00 176.83 176.38 2pzr h ASP 530 N 0.21 0.49 -0.82 4.97 5.19 -0.60 -1.64 116.42 124.22 2pzr h ASP 530 Ca 0.16 -0.48 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 2pzr h ASP 530 Cb 0.37 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 2pzr h ASP 530 CO -0.03 0.87 0.39 0.25 -3.12 0.00 0.00 179.24 177.60 2pzr h LEU 531 N 0.13 1.07 -0.32 1.55 5.85 0.05 -1.11 115.31 122.52 2pzr h LEU 531 Ca 0.03 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2pzr h LEU 531 Cb 0.73 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2pzr h LEU 531 CO 0.05 0.91 0.14 0.58 -0.34 0.00 0.00 178.44 179.78 2pzr h VAL 532 N 1.16 1.17 -0.95 1.05 2.07 -1.16 -2.29 116.25 117.31 2pzr h VAL 532 Ca 0.28 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2pzr h VAL 532 Cb 0.12 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2pzr h VAL 532 CO -0.04 0.18 0.63 0.28 0.02 0.00 0.00 177.57 178.64 2pzr h SER 533 N 0.38 1.07 -0.19 0.57 0.02 -0.86 -1.67 113.55 112.87 2pzr h SER 533 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2pzr h SER 533 Cb 0.15 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2pzr h SER 533 CO -0.01 0.77 0.12 -0.08 -1.14 0.00 0.00 176.83 176.49 2pzr h GLU 534 N 1.26 0.24 -0.77 3.45 4.81 -1.02 -0.89 114.58 121.67 2pzr h GLU 534 Ca 0.35 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2pzr h GLU 534 Cb -0.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 2pzr h GLU 534 CO -0.09 0.16 0.51 1.98 -0.73 0.00 0.00 179.01 180.84 2pzr h MET 535 N 0.25 0.99 -0.32 1.92 4.05 -0.95 -1.33 114.93 119.55 2pzr h MET 535 Ca 0.07 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.28 2pzr h MET 535 Cb -0.02 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.55 2pzr h MET 535 CO -0.02 0.65 -0.41 0.93 0.23 0.00 0.00 176.91 178.30 2pzr h GLU 536 N 1.02 0.83 -0.77 0.39 4.39 -0.95 -2.55 114.58 116.93 2pzr h GLU 536 Ca 0.29 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2pzr h GLU 536 Cb -0.09 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2pzr h GLU 536 CO -0.07 1.11 0.47 1.98 -1.16 0.00 0.00 179.01 181.34 2pzr h MET 537 N 0.61 1.04 0.00 2.33 4.05 -0.53 -0.64 114.93 121.80 2pzr h MET 537 Ca 0.04 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2pzr h MET 537 Cb 1.00 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2pzr h MET 537 CO 0.10 0.73 -0.05 0.52 0.23 0.00 0.00 176.91 178.43 2pzr h MET 538 N 1.06 0.00 0.04 0.39 2.86 -1.13 -1.90 114.93 116.26 2pzr h MET 538 Ca 0.28 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.66 2pzr h MET 538 Cb -0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2pzr h MET 538 CO -0.05 0.05 -1.08 0.87 1.06 0.00 0.00 176.91 177.76 2pzr h LYS 539 N 0.00 0.52 -0.27 1.72 1.57 -0.72 -3.32 116.57 116.08 2pzr h LYS 539 Ca -0.00 -0.62 -0.17 0.00 -1.87 0.00 0.00 60.65 57.99 2pzr h LYS 539 Cb 0.56 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2pzr h LYS 539 CO 0.01 1.24 -0.48 0.52 -0.57 0.00 0.00 179.45 180.17 2pzr h MET 540 N 0.27 0.80 -6.60 3.15 2.86 -1.00 -3.43 114.93 110.98 2pzr h MET 540 Ca -0.13 -0.50 -0.53 0.00 -2.06 0.00 0.00 59.70 56.48 2pzr h MET 540 Cb 1.74 0.06 0.03 0.00 0.06 0.00 0.00 31.60 33.48 2pzr h MET 540 CO 0.20 1.13 0.69 0.42 1.06 0.00 0.00 176.91 180.41 2pzr s ILE 541 N -4.13 3.29 0.00 -1.22 1.01 -0.75 -5.01 121.20 114.39 2pzr s ILE 541 Ca -0.11 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2pzr s ILE 541 Cb 0.09 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2pzr s ILE 541 CO 0.87 0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.53 2pzr n GLY 542 N 2.99 -2.10 3.79 6.18 0.00 -1.26 -4.90 105.19 109.89 2pzr n GLY 542 Ca 0.09 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2pzr n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pzr s LYS 543 N -1.13 4.05 -0.06 1.61 2.20 -1.26 -5.03 119.74 120.13 2pzr s LYS 543 Ca 0.00 0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.77 2pzr s LYS 543 Cb 0.00 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2pzr s LYS 543 CO 0.00 0.48 0.35 -1.58 -0.36 0.00 0.00 175.35 174.24 2pzr s HIS 544 N -0.37 -0.28 0.26 4.03 2.46 -1.26 -5.06 115.29 115.07 2pzr s HIS 544 Ca 0.22 0.55 -0.02 0.00 0.47 0.00 0.00 55.06 56.28 2pzr s HIS 544 Cb -0.15 0.13 0.51 0.00 -0.13 0.00 0.00 32.58 32.94 2pzr s HIS 544 CO 0.10 -0.34 1.75 -0.22 -2.47 0.00 0.00 174.74 173.55 2pzr h LYS 545 N 4.36 0.53 -0.93 2.88 3.64 -1.97 -2.87 116.57 122.20 2pzr h LYS 545 Ca -0.29 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.44 2pzr h LYS 545 Cb 1.18 -0.12 -0.31 0.00 -0.41 0.00 0.00 32.23 32.57 2pzr h LYS 545 CO 0.36 0.35 0.51 0.09 -2.27 0.00 0.00 179.45 178.49 2pzr n ASN 546 N -4.93 6.70 -3.80 4.20 4.13 -1.26 -4.80 115.26 115.50 2pzr n ASN 546 Ca 0.16 -3.77 -0.13 0.00 1.68 0.00 0.00 54.58 52.52 2pzr n ASN 546 Cb 0.44 -0.84 -0.15 0.00 -1.54 0.00 0.00 39.78 37.69 2pzr n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pzr s ILE 547 N -4.61 -0.03 0.26 2.41 1.01 -1.08 -1.88 121.20 117.27 2pzr s ILE 547 Ca 0.61 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 2pzr s ILE 547 Cb 0.49 -0.11 -0.10 0.00 0.01 0.00 0.00 42.46 42.74 2pzr s ILE 547 CO 0.01 0.05 1.45 -0.63 0.00 0.00 0.00 174.94 175.81 2pzr s ILE 548 N 0.64 2.60 0.04 2.92 -1.09 -0.65 -4.69 121.20 120.97 2pzr s ILE 548 Ca -0.05 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 58.96 2pzr s ILE 548 Cb -0.07 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2pzr s ILE 548 CO -0.02 0.08 -0.19 0.54 -1.23 0.00 0.00 174.94 174.12 2pzr s ASN 549 N 0.32 3.70 0.00 3.58 2.20 -1.26 -4.95 114.94 118.54 2pzr s ASN 549 Ca 0.59 -0.45 -0.30 0.00 -0.94 0.00 0.00 52.86 51.76 2pzr s ASN 549 Cb -0.42 -0.56 -0.04 0.00 -2.00 0.00 0.00 41.25 38.22 2pzr s ASN 549 CO 0.44 0.26 1.20 -0.22 -2.94 0.00 0.00 177.10 175.84 2pzr s LEU 550 N -1.39 4.33 0.00 3.54 2.96 -1.26 -1.15 118.68 125.70 2pzr s LEU 550 Ca 0.14 1.92 0.15 0.00 -0.22 0.00 0.00 54.13 56.12 2pzr s LEU 550 Cb -0.10 -3.57 0.36 0.00 0.50 0.00 0.00 46.19 43.38 2pzr s LEU 550 CO 0.05 -0.53 1.28 0.18 -1.32 0.00 0.00 176.35 176.01 2pzr n LEU 551 N 4.57 3.08 0.00 -0.68 4.77 0.12 -4.93 117.00 123.93 2pzr n LEU 551 Ca 0.10 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 2pzr n LEU 551 Cb 0.46 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2pzr n LEU 551 CO 0.55 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 2pzr n GLY 552 N 0.91 2.33 3.42 -0.72 0.00 -1.13 -4.94 105.19 105.07 2pzr n GLY 552 Ca 0.15 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 2pzr n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pzr s ALA 553 N -1.80 -1.43 -0.54 4.61 0.00 -0.44 0.11 121.76 122.28 2pzr s ALA 553 Ca 0.00 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 2pzr s ALA 553 Cb 0.00 0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.26 2pzr s ALA 553 CO 0.00 -0.33 0.53 0.00 0.00 0.00 0.00 175.76 175.96 2pzr n THR 555 N 5.32 0.47 -5.09 0.00 -2.24 -1.26 -1.40 114.28 110.09 2pzr n THR 555 Ca -0.12 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 2pzr n THR 555 Cb 0.41 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 2pzr n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pzr s GLN 556 N -0.66 2.05 -0.75 -0.78 -1.52 -1.26 -4.80 119.66 111.94 2pzr s GLN 556 Ca 0.07 -0.78 -0.02 0.00 -1.95 0.00 0.00 55.36 52.67 2pzr s GLN 556 Cb 0.04 -1.83 0.00 0.00 -0.22 0.00 0.00 33.01 31.00 2pzr s GLN 556 CO 0.06 0.38 0.65 -0.25 -0.25 0.00 0.00 175.29 175.89 2pzr n ASP 557 N 2.83 -6.54 0.00 5.90 8.00 -1.26 -4.94 116.55 120.53 2pzr n ASP 557 Ca -0.17 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.93 2pzr n ASP 557 Cb 0.52 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 2pzr n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pzr n GLY 558 N -1.59 3.17 3.52 0.44 0.00 -1.26 -5.11 105.19 104.37 2pzr n GLY 558 Ca -0.13 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 2pzr n GLY 558 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pzr n PRO 559 N -1.93 0.36 -2.49 1.61 -0.04 -1.26 -4.89 135.00 126.36 2pzr n PRO 559 Ca 0.00 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 2pzr n PRO 559 Cb 0.00 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 2pzr n PRO 559 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pzr s LEU 560 N -1.31 4.42 -0.12 1.53 2.96 -1.26 -4.73 118.68 120.17 2pzr s LEU 560 Ca 0.68 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 56.60 2pzr s LEU 560 Cb -0.35 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.78 2pzr s LEU 560 CO 0.55 -0.34 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.81 2pzr s TYR 561 N 0.52 1.84 -0.29 5.38 2.02 -0.49 -4.47 117.35 121.85 2pzr s TYR 561 Ca 0.54 -0.93 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 2pzr s TYR 561 Cb -0.28 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2pzr s TYR 561 CO 0.31 -0.53 0.13 0.08 -1.57 0.00 0.00 175.55 173.97 2pzr s VAL 562 N 1.34 4.56 -0.35 0.71 1.01 -0.60 -1.23 120.40 125.83 2pzr s VAL 562 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2pzr s VAL 562 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2pzr s VAL 562 CO -0.06 0.16 0.34 -0.63 0.00 0.00 0.00 175.10 174.91 2pzr s ILE 563 N 1.62 5.19 0.30 2.22 1.01 0.12 -1.23 121.20 130.42 2pzr s ILE 563 Ca 0.05 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.73 2pzr s ILE 563 Cb -0.16 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2pzr s ILE 563 CO 0.06 -0.11 -0.12 0.68 0.00 0.00 0.00 174.94 175.44 2pzr s VAL 564 N 1.96 2.12 0.30 2.92 -7.23 -0.03 0.11 120.40 120.55 2pzr s VAL 564 Ca 0.10 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.73 2pzr s VAL 564 Cb -0.17 -2.44 -0.12 0.00 0.56 0.00 0.00 36.38 34.21 2pzr s VAL 564 CO 0.12 -0.32 1.43 1.21 -0.31 0.00 0.00 175.10 177.23 2pzr n GLU 565 N -0.65 2.32 -3.21 4.82 2.13 -0.30 -1.65 120.64 124.10 2pzr n GLU 565 Ca -0.05 0.82 -0.40 0.00 0.66 0.00 0.00 57.16 58.19 2pzr n GLU 565 Cb 0.62 -2.50 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 2pzr n GLU 565 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pzr s TYR 566 N -0.48 3.33 -0.32 4.31 5.04 -1.26 -4.61 117.35 123.36 2pzr s TYR 566 Ca 0.61 0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 55.90 2pzr s TYR 566 Cb -0.56 -2.72 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 2pzr s TYR 566 CO 0.55 -0.20 0.17 0.00 -1.34 0.00 0.00 175.55 174.74 2pzr s ALA 567 N 1.99 3.32 0.25 3.97 0.00 -1.26 -4.95 121.76 125.08 2pzr s ALA 567 Ca 0.24 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 2pzr s ALA 567 Cb -0.16 -2.45 0.27 0.00 0.00 0.00 0.00 23.12 20.78 2pzr s ALA 567 CO 0.09 -0.95 1.88 0.66 0.00 0.00 0.00 175.76 177.44 2pzr h SER 568 N 8.38 1.08 0.00 0.00 4.64 -1.86 -2.83 113.55 122.97 2pzr h SER 568 Ca -0.31 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2pzr h SER 568 Cb 1.14 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2pzr h SER 568 CO 0.62 0.86 0.00 0.29 -0.87 0.00 0.00 176.83 177.73 2pzr n LYS 569 N -4.34 0.91 0.00 4.77 4.76 -0.40 -4.99 118.16 118.88 2pzr n LYS 569 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2pzr n LYS 569 Cb 0.09 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2pzr n LYS 569 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pzr n GLY 570 N 0.62 -0.05 3.84 0.72 0.00 -1.07 -4.72 105.19 104.53 2pzr n GLY 570 Ca 0.11 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2pzr n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pzr s ASN 571 N -4.00 6.68 0.21 1.61 2.20 -1.26 -0.35 114.94 120.03 2pzr s ASN 571 Ca 0.00 1.50 -0.10 0.00 -0.94 0.00 0.00 52.86 53.32 2pzr s ASN 571 Cb 0.00 -2.47 0.20 0.00 -2.00 0.00 0.00 41.25 36.98 2pzr s ASN 571 CO 0.00 -0.48 1.84 0.25 -2.94 0.00 0.00 177.10 175.77 2pzr h LEU 572 N 1.28 0.68 -0.21 3.54 5.85 0.08 -2.11 115.31 124.42 2pzr h LEU 572 Ca -0.47 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 2pzr h LEU 572 Cb 1.18 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2pzr h LEU 572 CO 0.62 0.46 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.90 2pzr h ARG 573 N 0.82 -0.20 -0.12 1.25 2.43 -1.77 0.57 114.38 117.36 2pzr h ARG 573 Ca 0.28 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.24 2pzr h ARG 573 Cb 0.06 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2pzr h ARG 573 CO -0.12 -0.13 -0.83 0.93 -1.51 0.00 0.00 179.97 178.30 2pzr h GLU 574 N -0.21 0.77 -0.80 0.20 5.08 -1.90 -2.92 114.58 114.81 2pzr h GLU 574 Ca 0.13 -0.66 0.17 0.00 -1.00 0.00 0.00 59.36 57.99 2pzr h GLU 574 Cb 0.39 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 2pzr h GLU 574 CO -0.33 1.26 0.30 -0.92 -1.00 0.00 0.00 179.01 178.32 2pzr h TYR 575 N 0.51 0.49 0.54 4.33 3.20 -0.92 0.24 116.97 125.37 2pzr h TYR 575 Ca -0.07 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2pzr h TYR 575 Cb 1.46 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.65 2pzr h TYR 575 CO 0.09 -0.01 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.26 2pzr h LEU 576 N 0.38 -0.62 -1.31 2.82 3.38 -0.87 -3.08 115.31 116.01 2pzr h LEU 576 Ca 0.46 -0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.64 2pzr h LEU 576 Cb 0.79 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 2pzr h LEU 576 CO -0.48 -0.23 0.64 0.03 0.09 0.00 0.00 178.44 178.50 2pzr h ARG 577 N -1.11 0.46 -0.66 1.13 3.08 -0.96 0.03 114.38 116.35 2pzr h ARG 577 Ca -0.07 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2pzr h ARG 577 Cb 0.61 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 2pzr h ARG 577 CO 0.12 0.30 0.34 0.00 -1.07 0.00 0.00 179.97 179.67 2pzr h ALA 578 N 1.63 0.89 -1.24 0.04 0.00 -0.45 -2.62 119.26 117.51 2pzr h ALA 578 Ca 0.57 0.03 -0.77 0.00 0.00 0.00 0.00 54.91 54.74 2pzr h ALA 578 Cb 1.32 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.74 2pzr h ALA 578 CO -0.29 -0.01 0.85 2.89 0.00 0.00 0.00 179.25 182.68 2pzr n ARG 579 N -4.84 4.21 -3.59 0.00 0.00 -0.01 -3.25 116.66 109.19 2pzr n ARG 579 Ca 0.09 -4.25 -0.36 0.00 -0.00 0.00 0.00 57.85 53.33 2pzr n ARG 579 Cb 0.21 -2.37 -0.07 0.00 -0.00 0.00 0.00 32.46 30.23 2pzr n ARG 579 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2pzr s ARG 580 N -4.15 4.12 -0.14 2.89 0.52 -0.99 -4.01 118.95 117.20 2pzr s ARG 580 Ca 0.45 0.07 -0.40 0.00 -0.52 0.00 0.00 55.73 55.33 2pzr s ARG 580 Cb 0.30 -3.38 -0.19 0.00 0.52 0.00 0.00 34.95 32.20 2pzr s ARG 580 CO -0.24 0.35 1.16 -2.30 0.02 0.00 0.00 175.30 174.29 2pzr n PRO 581 N 3.21 0.00 -1.13 3.54 -0.02 -1.26 -5.00 135.00 134.34 2pzr n PRO 581 Ca -0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.19 2pzr n PRO 581 Cb 0.52 -1.41 -0.17 0.00 -0.02 0.00 0.00 33.50 32.42 2pzr n PRO 581 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pzr n PRO 582 N 2.12 0.00 0.00 0.52 -0.02 -1.26 -5.20 135.00 131.16 2pzr n PRO 582 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2pzr n PRO 582 Cb 0.04 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2pzr n PRO 582 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2pzr n GLU 595 N 4.18 0.00 -2.83 -0.52 0.28 -1.20 -5.30 120.64 115.25 2pzr n GLU 595 Ca 0.49 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 57.08 2pzr n GLU 595 Cb 0.12 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.96 2pzr n GLU 595 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2pzr s GLU 596 N 0.00 4.49 0.99 3.44 -6.30 -1.26 -4.73 118.70 115.33 2pzr s GLU 596 Ca 0.00 1.21 -0.17 0.00 -2.50 0.00 0.00 54.97 53.52 2pzr s GLU 596 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 34.13 30.58 2pzr s GLU 596 CO 0.00 -0.06 -0.43 1.04 0.02 0.00 0.00 175.26 175.83 2pzr n GLN 597 N 4.08 -0.21 -3.73 4.30 6.02 -1.26 -4.79 117.38 121.78 2pzr n GLN 597 Ca 0.04 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.63 2pzr n GLN 597 Cb 0.51 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.36 2pzr n GLN 597 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2pzr s MET 598 N -2.64 4.09 0.70 -1.09 -1.94 -1.26 -5.08 119.30 112.08 2pzr s MET 598 Ca 0.46 -0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 54.17 2pzr s MET 598 Cb -0.16 -3.39 0.03 0.00 2.01 0.00 0.00 34.83 33.33 2pzr s MET 598 CO 0.75 0.37 1.06 0.95 -0.01 0.00 0.00 175.02 178.14 2pzr s THR 599 N 0.16 3.16 0.25 2.05 -4.23 -1.26 -4.92 115.64 110.85 2pzr s THR 599 Ca 0.10 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 2pzr s THR 599 Cb -0.11 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.61 2pzr s THR 599 CO -0.00 -0.43 1.89 0.15 -0.54 0.00 0.00 174.62 175.68 2pzr h PHE 600 N -0.62 1.12 -0.71 3.99 3.57 -1.98 -1.87 116.94 120.44 2pzr h PHE 600 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 2pzr h PHE 600 Cb 1.27 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2pzr h PHE 600 CO 0.45 0.63 0.37 -0.22 -2.23 0.00 0.00 178.31 177.31 2pzr h LYS 601 N 1.15 1.01 -0.69 1.11 3.64 -1.98 -1.77 116.57 119.05 2pzr h LYS 601 Ca 0.38 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2pzr h LYS 601 Cb 0.04 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 2pzr h LYS 601 CO -0.13 0.77 0.45 -0.44 -2.27 0.00 0.00 179.45 177.83 2pzr h ASP 602 N 0.98 0.77 -0.33 4.20 3.32 -1.71 0.71 116.42 124.36 2pzr h ASP 602 Ca 0.25 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 2pzr h ASP 602 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2pzr h ASP 602 CO -0.04 0.55 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.69 2pzr h LEU 603 N 0.90 0.80 -0.23 1.55 3.38 -1.05 -1.26 115.31 119.41 2pzr h LEU 603 Ca 0.26 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2pzr h LEU 603 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2pzr h LEU 603 CO -0.06 1.08 -0.04 0.58 0.09 0.00 0.00 178.44 180.10 2pzr h VAL 604 N 0.53 1.28 -0.92 1.22 2.07 -0.37 -0.71 116.25 119.34 2pzr h VAL 604 Ca 0.06 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2pzr h VAL 604 Cb 0.83 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 2pzr h VAL 604 CO 0.07 0.31 0.59 -1.28 0.02 0.00 0.00 177.57 177.28 2pzr h SER 605 N 0.17 0.97 0.03 0.57 0.87 0.39 0.45 113.55 117.00 2pzr h SER 605 Ca 0.06 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2pzr h SER 605 Cb 0.48 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2pzr h SER 605 CO 0.02 0.65 -0.09 0.00 -0.53 0.00 0.00 176.83 176.88 2pzr h THR 607 N -0.17 1.10 -0.47 0.00 2.02 -0.30 -2.27 112.91 112.80 2pzr h THR 607 Ca 0.03 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.01 2pzr h THR 607 Cb 0.20 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 2pzr h THR 607 CO -0.07 0.09 0.14 0.22 0.37 0.00 0.00 175.52 176.27 2pzr h TYR 608 N 0.19 0.24 0.01 3.16 3.20 0.16 -1.73 116.97 122.20 2pzr h TYR 608 Ca 0.06 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2pzr h TYR 608 Cb 0.06 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2pzr h TYR 608 CO -0.04 0.06 -0.12 1.96 -1.64 0.00 0.00 178.16 178.38 2pzr h GLN 609 N 0.30 -0.20 -0.75 1.82 4.20 -0.32 -2.20 115.11 117.96 2pzr h GLN 609 Ca 0.23 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.02 2pzr h GLN 609 Cb 0.26 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2pzr h GLN 609 CO -0.26 -0.13 0.49 -0.07 -0.67 0.00 0.00 178.83 178.19 2pzr h LEU 610 N -0.21 0.69 -0.25 1.46 3.38 -1.07 0.85 115.31 120.15 2pzr h LEU 610 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2pzr h LEU 610 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2pzr h LEU 610 CO -0.11 0.44 0.13 0.00 0.09 0.00 0.00 178.44 178.99 2pzr h ALA 611 N 1.60 0.33 -0.88 1.53 0.00 -0.94 0.41 119.26 121.30 2pzr h ALA 611 Ca 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2pzr h ALA 611 Cb 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2pzr h ALA 611 CO -0.11 -0.13 0.58 0.00 0.00 0.00 0.00 179.25 179.60 2pzr h ARG 612 N 0.29 1.12 0.56 0.00 3.08 -0.56 1.15 114.38 120.01 2pzr h ARG 612 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2pzr h ARG 612 Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2pzr h ARG 612 CO -0.01 0.74 -0.30 0.78 -1.07 0.00 0.00 179.97 180.11 2pzr h GLY 613 N 1.16 -0.83 0.99 0.04 0.00 0.16 -1.37 103.07 103.22 2pzr h GLY 613 Ca 0.34 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2pzr h GLY 613 CO -0.09 -0.30 0.18 -0.33 0.00 0.00 0.00 176.54 176.00 2pzr h MET 614 N -0.79 0.37 -0.72 4.80 2.86 0.69 -0.79 114.93 121.34 2pzr h MET 614 Ca -0.07 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 2pzr h MET 614 Cb 0.62 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.08 2pzr h MET 614 CO 0.10 0.26 0.04 1.49 1.06 0.00 0.00 176.91 179.86 2pzr h GLU 615 N 0.36 0.13 0.42 1.72 4.81 0.15 0.37 114.58 122.53 2pzr h GLU 615 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2pzr h GLU 615 Cb -0.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2pzr h GLU 615 CO -0.02 0.08 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.22 2pzr h TYR 616 N 0.13 -0.52 -1.02 0.92 5.03 -0.82 -0.58 116.97 120.11 2pzr h TYR 616 Ca 0.40 -0.01 0.25 0.00 2.58 0.00 0.00 58.73 61.94 2pzr h TYR 616 Cb 0.68 0.17 -0.12 0.00 1.55 0.00 0.00 36.73 39.02 2pzr h TYR 616 CO -0.38 -0.25 0.62 1.25 -1.32 0.00 0.00 178.16 178.08 2pzr h LEU 617 N -0.70 0.62 -0.48 2.82 5.85 0.30 0.63 115.31 124.35 2pzr h LEU 617 Ca -0.06 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 2pzr h LEU 617 Cb 0.50 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2pzr h LEU 617 CO 0.09 0.10 -0.70 0.00 -0.34 0.00 0.00 178.44 177.60 2pzr h ALA 618 N 1.70 0.68 0.00 1.25 0.00 -0.05 -2.38 119.26 120.46 2pzr h ALA 618 Ca 0.63 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pzr h ALA 618 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2pzr h ALA 618 CO -0.43 0.77 0.00 0.66 0.00 0.00 0.00 179.25 180.25 2pzr h SER 619 N 0.22 0.00 -0.70 0.00 4.64 0.19 -1.90 113.55 115.99 2pzr h SER 619 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 2pzr h SER 619 Cb 1.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.18 2pzr h SER 619 CO 0.11 0.00 0.29 0.00 -0.87 0.00 0.00 176.83 176.37 2pzr n GLN 620 N -2.34 2.84 -2.20 4.77 1.13 -0.79 -4.92 117.38 115.88 2pzr n GLN 620 Ca 0.00 -3.07 -0.10 0.00 -1.94 0.00 0.00 57.00 51.90 2pzr n GLN 620 Cb 0.14 -2.09 -0.01 0.00 0.11 0.00 0.00 30.24 28.38 2pzr n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pzr n LYS 621 N -0.68 -2.12 -4.18 -1.09 5.02 -0.72 -4.90 118.16 109.50 2pzr n LYS 621 Ca 0.43 0.51 -0.34 0.00 -2.02 0.00 0.00 58.31 56.89 2pzr n LYS 621 Cb 1.36 -5.00 -0.11 0.00 -0.02 0.00 0.00 35.03 31.26 2pzr n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pzr s ILE 623 N 0.54 3.97 -0.02 0.00 -4.36 -0.46 -4.05 121.20 116.82 2pzr s ILE 623 Ca -0.00 -0.31 -0.25 0.00 -0.26 0.00 0.00 60.65 59.83 2pzr s ILE 623 Cb -0.14 -2.79 -0.19 0.00 1.25 0.00 0.00 42.46 40.59 2pzr s ILE 623 CO 0.02 0.43 1.22 -0.74 0.24 0.00 0.00 174.94 176.12 2pzr h HIS 624 N 7.40 -0.08 0.00 1.37 -0.00 -1.89 -0.94 115.15 121.01 2pzr h HIS 624 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2pzr h HIS 624 Cb 1.18 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2pzr h HIS 624 CO 0.58 0.37 0.00 0.54 -0.00 0.00 0.00 177.93 179.43 2pzr n ARG 625 N -4.91 0.00 -2.91 5.26 1.74 -1.26 -2.84 116.66 111.74 2pzr n ARG 625 Ca -0.08 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 2pzr n ARG 625 Cb 0.25 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 2pzr n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pzr n ASP 626 N 0.22 3.08 -4.72 0.55 4.64 -1.26 -4.81 116.55 114.24 2pzr n ASP 626 Ca 0.00 -3.38 -0.41 0.00 -1.38 0.00 0.00 54.79 49.62 2pzr n ASP 626 Cb 0.00 -0.56 -0.04 0.00 -1.04 0.00 0.00 41.12 39.48 2pzr n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pzr s LEU 627 N -3.13 4.42 -0.25 -2.67 2.96 -1.26 -4.82 118.68 113.92 2pzr s LEU 627 Ca 0.44 1.61 -0.34 0.00 -0.22 0.00 0.00 54.13 55.62 2pzr s LEU 627 Cb 0.34 -3.46 0.16 0.00 0.50 0.00 0.00 46.19 43.73 2pzr s LEU 627 CO -0.11 -0.14 1.30 0.00 -1.32 0.00 0.00 176.35 176.08 2pzr s ALA 628 N 0.49 -2.12 0.27 5.97 0.00 -1.26 -4.86 121.76 120.25 2pzr s ALA 628 Ca 0.47 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2pzr s ALA 628 Cb -0.21 -0.73 0.60 0.00 0.00 0.00 0.00 23.12 22.77 2pzr s ALA 628 CO 0.27 -0.44 1.72 0.00 0.00 0.00 0.00 175.76 177.31 2pzr h ALA 629 N 2.06 1.27 0.00 0.00 0.00 -1.93 0.17 119.26 120.82 2pzr h ALA 629 Ca -0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pzr h ALA 629 Cb 1.16 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2pzr h ALA 629 CO 0.22 -0.25 -0.04 0.07 0.00 0.00 0.00 179.25 179.25 2pzr h ARG 630 N 0.45 0.00 -0.64 0.00 0.11 -1.95 -2.30 114.38 110.06 2pzr h ARG 630 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2pzr h ARG 630 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 2pzr h ARG 630 CO -0.46 0.04 0.00 0.09 0.10 0.00 0.00 179.97 179.74 2pzr n ASN 631 N -4.12 3.36 -4.25 0.08 5.03 0.58 -4.73 115.26 111.20 2pzr n ASN 631 Ca -0.03 -2.36 -0.32 0.00 0.87 0.00 0.00 54.58 52.74 2pzr n ASN 631 Cb 0.13 -0.50 -0.16 0.00 -1.02 0.00 0.00 39.78 38.22 2pzr n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pzr s VAL 632 N -1.83 2.24 0.21 2.41 1.01 -0.88 -0.74 120.40 122.83 2pzr s VAL 632 Ca 0.32 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2pzr s VAL 632 Cb 0.22 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2pzr s VAL 632 CO 0.14 0.55 0.26 -0.76 0.00 0.00 0.00 175.10 175.29 2pzr s LEU 633 N 0.31 4.09 -0.10 3.92 1.43 0.32 0.56 118.68 129.21 2pzr s LEU 633 Ca -0.17 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2pzr s LEU 633 Cb -0.17 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.43 2pzr s LEU 633 CO 0.08 -0.01 -0.06 0.54 0.23 0.00 0.00 176.35 177.13 2pzr s VAL 634 N -1.94 0.86 1.24 -1.59 0.11 0.53 -0.88 120.40 118.73 2pzr s VAL 634 Ca 0.33 -0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 58.99 2pzr s VAL 634 Cb -0.09 -0.91 0.30 0.00 -1.53 0.00 0.00 36.38 34.15 2pzr s VAL 634 CO 0.27 0.34 1.11 0.42 -3.33 0.00 0.00 175.10 173.91 2pzr s THR 635 N 1.74 1.53 0.22 5.04 -4.23 -0.91 -1.27 115.64 117.76 2pzr s THR 635 Ca 0.04 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2pzr s THR 635 Cb -0.13 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.39 2pzr s THR 635 CO -0.07 0.00 1.79 1.05 -0.54 0.00 0.00 174.62 176.85 2pzr h GLU 636 N -2.69 0.61 -0.69 3.99 9.09 -1.92 -0.98 114.58 121.99 2pzr h GLU 636 Ca -0.43 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.94 2pzr h GLU 636 Cb 1.29 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2pzr h GLU 636 CO 0.30 0.40 0.00 0.09 0.05 0.00 0.00 179.01 179.86 2pzr n ASN 637 N -4.83 2.22 -3.40 3.06 5.03 -1.26 -4.89 115.26 111.18 2pzr n ASN 637 Ca 0.09 -2.22 -0.21 0.00 0.87 0.00 0.00 54.58 53.12 2pzr n ASN 637 Cb 0.22 -0.45 0.08 0.00 -1.02 0.00 0.00 39.78 38.61 2pzr n ASN 637 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2pzr n ASN 638 N 0.21 -4.87 -4.82 6.41 3.02 -0.37 -5.00 115.26 109.84 2pzr n ASN 638 Ca 0.09 -0.54 -0.38 0.00 -0.03 0.00 0.00 54.58 53.73 2pzr n ASN 638 Cb 0.46 -4.84 -0.06 0.00 -0.61 0.00 0.00 39.78 34.73 2pzr n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pzr s VAL 639 N -3.32 5.13 -0.17 2.41 1.01 -1.26 -4.86 120.40 119.35 2pzr s VAL 639 Ca 0.38 0.75 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 2pzr s VAL 639 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2pzr s VAL 639 CO 0.69 0.53 0.61 -0.04 0.00 0.00 0.00 175.10 176.90 2pzr s MET 640 N -0.71 4.26 -0.17 2.72 1.00 -1.26 -2.14 119.30 123.01 2pzr s MET 640 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 55.69 56.54 2pzr s MET 640 Cb -0.16 -3.54 0.03 0.00 0.00 0.00 0.00 34.83 31.17 2pzr s MET 640 CO 0.11 -0.13 -0.12 1.03 0.00 0.00 0.00 175.02 175.91 2pzr s ARG 641 N 1.54 2.13 -0.01 2.03 0.52 -0.06 -4.24 118.95 120.86 2pzr s ARG 641 Ca 0.29 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2pzr s ARG 641 Cb -0.16 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 33.05 2pzr s ARG 641 CO 0.11 -0.32 1.45 0.42 0.02 0.00 0.00 175.30 176.98 2pzr s ILE 642 N 1.47 3.65 0.00 1.52 1.01 -0.79 -0.52 121.20 127.54 2pzr s ILE 642 Ca 0.02 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2pzr s ILE 642 Cb -0.14 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2pzr s ILE 642 CO -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.83 2pzr n ALA 643 N 5.64 0.00 -3.09 9.38 0.00 0.08 -1.64 120.51 130.89 2pzr n ALA 643 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 2pzr n ALA 643 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2pzr n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pzr n ASP 644 N -1.33 -7.51 -1.12 0.00 -0.08 -1.26 -4.80 116.55 100.46 2pzr n ASP 644 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 2pzr n ASP 644 Cb 0.00 -4.89 0.24 0.00 2.34 0.00 0.00 41.12 38.81 2pzr n ASP 644 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2pzr n PHE 645 N -1.41 0.94 0.27 -0.67 3.01 -1.26 -4.49 117.46 113.85 2pzr n PHE 645 Ca -0.00 -0.39 0.17 0.00 1.01 0.00 0.00 57.45 58.24 2pzr n PHE 645 Cb 0.51 -0.14 0.82 0.00 -0.01 0.00 0.00 39.48 40.66 2pzr n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pzr h GLY 646 N 4.70 0.00 -0.38 1.37 0.00 -1.90 -0.85 103.07 106.01 2pzr h GLY 646 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pzr h GLY 646 CO 0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.70 2pzr n LEU 647 N -3.15 1.62 -4.76 3.11 4.77 -1.26 -4.70 117.00 112.62 2pzr n LEU 647 Ca 0.00 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 2pzr n LEU 647 Cb 0.42 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2pzr n LEU 647 CO 0.18 0.37 0.93 0.00 -1.33 0.00 0.00 177.39 177.54 2pzr s ALA 648 N -0.52 3.48 0.21 -1.18 0.00 -0.33 -4.65 121.76 118.78 2pzr s ALA 648 Ca 0.06 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.20 2pzr s ALA 648 Cb 0.04 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2pzr s ALA 648 CO 0.06 -0.49 -0.06 1.03 0.00 0.00 0.00 175.76 176.29 2pzr s ARG 649 N -1.33 1.30 0.51 0.00 1.81 -0.36 -4.97 118.95 115.91 2pzr s ARG 649 Ca 0.49 -1.62 -0.19 0.00 -1.72 0.00 0.00 55.73 52.70 2pzr s ARG 649 Cb -0.37 -0.79 -0.08 0.00 -0.45 0.00 0.00 34.95 33.26 2pzr s ARG 649 CO 0.47 0.02 1.02 0.34 -0.68 0.00 0.00 175.30 176.46 2pzr s ASP 650 N -3.29 6.37 0.47 0.23 -1.08 -1.26 -1.36 116.67 116.75 2pzr s ASP 650 Ca 0.24 1.80 0.26 0.00 -0.52 0.00 0.00 52.55 54.34 2pzr s ASP 650 Cb 0.03 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.26 2pzr s ASP 650 CO 0.07 -0.76 1.80 -0.29 0.52 0.00 0.00 175.17 176.51 2pzr h ILE 651 N 1.26 0.50 -0.02 4.11 6.09 -0.59 0.79 117.51 129.65 2pzr h ILE 651 Ca -0.48 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 2pzr h ILE 651 Cb 1.21 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.77 2pzr h ILE 651 CO 0.59 0.04 -0.09 0.59 -3.07 0.00 0.00 178.15 176.22 2pzr n ASN 652 N -4.42 2.12 -3.08 2.19 3.02 -1.26 -4.47 115.26 109.35 2pzr n ASN 652 Ca 0.24 -1.64 -0.37 0.00 -0.03 0.00 0.00 54.58 52.78 2pzr n ASN 652 Cb 1.00 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 2pzr n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pzr n ASN 653 N 0.53 7.32 -3.82 6.41 4.05 0.27 -4.88 115.26 125.14 2pzr n ASN 653 Ca 0.15 -3.53 -0.15 0.00 0.45 0.00 0.00 54.58 51.49 2pzr n ASN 653 Cb 0.47 -1.18 -0.16 0.00 1.23 0.00 0.00 39.78 40.14 2pzr n ASN 653 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2pzr s ILE 654 N -3.57 0.08 -1.01 -1.44 -1.09 -1.26 -4.67 121.20 108.24 2pzr s ILE 654 Ca 0.51 0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.83 2pzr s ILE 654 Cb 0.32 -0.16 0.12 0.00 -1.58 0.00 0.00 42.46 41.16 2pzr s ILE 654 CO -0.25 0.10 1.26 -1.81 -1.23 0.00 0.00 174.94 173.01 2pzr s ASP 655 N 0.74 6.70 0.03 3.58 1.01 -1.26 -4.98 116.67 122.49 2pzr s ASP 655 Ca -0.07 -2.16 -0.35 0.00 0.71 0.00 0.00 52.55 50.69 2pzr s ASP 655 Cb -0.10 -2.43 -0.14 0.00 1.01 0.00 0.00 42.92 41.26 2pzr s ASP 655 CO -0.02 -1.07 1.65 -1.22 0.21 0.00 0.00 175.17 174.72 2pzr n TYR 656 N 6.82 2.16 -0.26 4.23 4.02 -1.26 -2.28 117.16 130.58 2pzr n TYR 656 Ca 0.29 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 2pzr n TYR 656 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.26 2pzr n TYR 656 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pzr n TYR 657 N 4.47 0.00 -2.82 -0.72 0.53 0.21 -5.01 117.16 113.83 2pzr n TYR 657 Ca 0.20 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.67 2pzr n TYR 657 Cb 0.26 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.54 2pzr n TYR 657 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 2pzr s LYS 658 N -0.28 4.53 0.36 -0.72 1.02 -0.97 -4.92 119.74 118.75 2pzr s LYS 658 Ca 0.00 1.26 0.18 0.00 0.02 0.00 0.00 55.97 57.42 2pzr s LYS 658 Cb 0.00 -3.45 1.22 0.00 -0.52 0.00 0.00 37.83 35.08 2pzr s LYS 658 CO 0.00 0.00 1.62 0.87 -0.92 0.00 0.00 175.35 176.92 2pzr h LYS 659 N 6.70 0.15 0.00 1.68 1.57 -1.96 0.11 116.57 124.82 2pzr h LYS 659 Ca -0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2pzr h LYS 659 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2pzr h LYS 659 CO 0.75 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.98 2pzr n THR 660 N -5.16 0.34 -1.93 -0.16 -2.24 -1.26 -4.82 114.28 99.05 2pzr n THR 660 Ca 0.35 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.81 2pzr n THR 660 Cb 1.14 -0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2pzr n THR 660 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pzr s THR 661 N -3.00 2.33 -1.53 4.28 2.01 0.36 -2.94 115.64 117.16 2pzr s THR 661 Ca 0.12 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2pzr s THR 661 Cb 0.16 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2pzr s THR 661 CO 0.44 0.06 0.00 0.59 -0.69 0.00 0.00 174.62 175.02 2pzr n ASN 662 N 0.29 -4.71 0.00 3.53 3.02 -1.26 -4.85 115.26 111.27 2pzr n ASN 662 Ca 0.02 0.36 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 2pzr n ASN 662 Cb 0.41 -3.96 0.82 0.00 -0.61 0.00 0.00 39.78 36.44 2pzr n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pzr n GLY 663 N -0.11 -0.87 0.61 7.41 0.00 -1.15 -3.12 105.19 107.95 2pzr n GLY 663 Ca -0.14 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.76 2pzr n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pzr n ARG 664 N -1.00 2.84 -3.50 1.61 1.74 -1.26 -5.00 116.66 112.09 2pzr n ARG 664 Ca 0.21 -2.22 -0.37 0.00 -0.77 0.00 0.00 57.85 54.70 2pzr n ARG 664 Cb 0.10 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 2pzr n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pzr s LEU 665 N -1.56 4.30 -0.12 0.55 1.43 -1.18 -5.01 118.68 117.09 2pzr s LEU 665 Ca 0.26 0.66 -0.34 0.00 -1.03 0.00 0.00 54.13 53.68 2pzr s LEU 665 Cb 0.17 -2.47 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 2pzr s LEU 665 CO 0.12 0.13 1.95 -2.65 0.23 0.00 0.00 176.35 176.13 2pzr n PRO 666 N 3.20 2.07 -0.29 1.29 -0.02 -1.26 -4.87 135.00 135.13 2pzr n PRO 666 Ca -0.12 0.73 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 2pzr n PRO 666 Cb 0.52 -2.69 0.26 0.00 -0.02 0.00 0.00 33.50 31.56 2pzr n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pzr h VAL 667 N 5.79 1.05 0.00 -1.45 2.07 -1.95 -2.43 116.25 119.34 2pzr h VAL 667 Ca -0.46 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2pzr h VAL 667 Cb 1.27 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2pzr h VAL 667 CO 0.96 0.18 0.00 0.29 0.02 0.00 0.00 177.57 179.02 2pzr n LYS 668 N -4.49 0.61 0.00 1.57 5.02 -1.26 -2.71 118.16 116.90 2pzr n LYS 668 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2pzr n LYS 668 Cb 0.21 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2pzr n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2pzr n TRP 669 N -0.87 0.00 -2.54 2.13 8.01 -1.05 -4.91 117.44 118.20 2pzr n TRP 669 Ca 0.11 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.90 2pzr n TRP 669 Cb 0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.30 2pzr n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2pzr s MET 670 N -1.14 4.68 0.30 -0.99 1.75 -0.94 -3.87 119.30 119.08 2pzr s MET 670 Ca 0.00 1.72 -0.29 0.00 -1.25 0.00 0.00 55.69 55.86 2pzr s MET 670 Cb 0.00 -3.23 -0.10 0.00 2.84 0.00 0.00 34.83 34.34 2pzr s MET 670 CO 0.00 0.25 1.15 0.00 -0.65 0.00 0.00 175.02 175.77 2pzr s ALA 671 N -0.95 3.43 0.29 4.11 0.00 -1.26 -4.96 121.76 122.42 2pzr s ALA 671 Ca 0.45 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2pzr s ALA 671 Cb -0.30 -3.37 0.67 0.00 0.00 0.00 0.00 23.12 20.13 2pzr s ALA 671 CO 0.38 -0.29 1.77 -1.35 0.00 0.00 0.00 175.76 176.27 2pzr h PRO 672 N 3.68 0.70 -0.22 0.00 0.11 -1.95 -0.34 132.00 133.97 2pzr h PRO 672 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pzr h PRO 672 Cb 1.22 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2pzr h PRO 672 CO 0.66 0.46 0.13 0.93 -0.21 0.00 0.00 178.00 179.98 2pzr h GLU 673 N 0.72 0.30 -0.74 1.05 3.07 -1.91 0.34 114.58 117.40 2pzr h GLU 673 Ca 0.54 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.52 2pzr h GLU 673 Cb 0.82 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.57 2pzr h GLU 673 CO -0.38 0.22 0.28 0.00 -1.40 0.00 0.00 179.01 177.72 2pzr h ALA 674 N 1.84 1.02 0.00 3.43 0.00 -1.13 0.12 119.26 124.54 2pzr h ALA 674 Ca 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2pzr h ALA 674 Cb -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pzr h ALA 674 CO -0.01 -0.23 -0.56 1.25 0.00 0.00 0.00 179.25 179.70 2pzr h LEU 675 N 0.42 0.00 -0.47 0.00 5.85 -1.44 -3.15 115.31 116.51 2pzr h LEU 675 Ca 0.40 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.14 2pzr h LEU 675 Cb 0.62 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2pzr h LEU 675 CO -0.41 0.82 0.13 -0.26 -0.34 0.00 0.00 178.44 178.39 2pzr h PHE 676 N -1.00 0.22 -0.02 1.25 0.05 -0.98 -3.07 116.94 113.40 2pzr h PHE 676 Ca -0.04 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.78 2pzr h PHE 676 Cb 0.57 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.49 2pzr h PHE 676 CO -0.17 0.05 -0.36 -0.25 -0.18 0.00 0.00 178.31 177.40 2pzr n ASP 677 N -5.06 2.02 -3.52 2.17 8.00 -0.05 -5.01 116.55 115.11 2pzr n ASP 677 Ca 0.05 -1.51 -0.24 0.00 0.71 0.00 0.00 54.79 53.80 2pzr n ASP 677 Cb 0.21 0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.76 2pzr n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pzr n ARG 678 N 0.14 -2.24 -4.10 -1.24 5.12 -0.74 -3.91 116.66 109.70 2pzr n ARG 678 Ca 0.09 0.64 -0.13 0.00 -1.93 0.00 0.00 57.85 56.52 2pzr n ARG 678 Cb 0.44 -4.94 -0.06 0.00 -1.16 0.00 0.00 32.46 26.74 2pzr n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pzr s VAL 679 N -3.47 0.00 -0.28 1.55 -7.23 -1.23 0.67 120.40 110.41 2pzr s VAL 679 Ca 0.39 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 2pzr s VAL 679 Cb -0.10 -2.46 0.10 0.00 0.56 0.00 0.00 36.38 34.48 2pzr s VAL 679 CO 0.81 0.00 0.76 -0.47 -0.31 0.00 0.00 175.10 175.88 2pzr s TYR 680 N -3.65 -0.97 0.00 2.82 5.04 -1.26 -3.71 117.35 115.62 2pzr s TYR 680 Ca 0.31 1.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.85 2pzr s TYR 680 Cb 0.01 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.90 2pzr s TYR 680 CO 0.15 -0.48 0.00 0.25 -1.34 0.00 0.00 175.55 174.13 2pzr n THR 681 N 4.26 0.00 0.07 4.34 -2.24 -1.26 -5.01 114.28 114.44 2pzr n THR 681 Ca -0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 2pzr n THR 681 Cb 0.58 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 2pzr n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pzr h HIS 682 N 0.96 0.36 0.00 4.78 3.86 -2.00 -2.42 115.15 120.69 2pzr h HIS 682 Ca 0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2pzr h HIS 682 Cb 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2pzr h HIS 682 CO 0.00 0.84 0.00 1.96 0.86 0.00 0.00 177.93 181.59 2pzr h GLN 683 N 0.20 0.00 0.03 2.45 1.08 -1.92 0.10 115.11 117.06 2pzr h GLN 683 Ca -0.01 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 2pzr h GLN 683 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 2pzr h GLN 683 CO 0.10 0.00 -0.99 0.77 -0.95 0.00 0.00 178.83 177.77 2pzr h SER 684 N 0.00 0.24 0.09 1.46 0.02 -1.80 -2.91 113.55 110.64 2pzr h SER 684 Ca 0.00 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.55 2pzr h SER 684 Cb 0.33 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2pzr h SER 684 CO 0.00 1.08 -0.65 0.44 -1.14 0.00 0.00 176.83 176.56 2pzr h ASP 685 N 0.08 0.62 -0.41 3.07 3.45 -0.75 -2.71 116.42 119.76 2pzr h ASP 685 Ca -0.06 -0.37 -0.07 0.00 0.43 0.00 0.00 57.03 56.96 2pzr h ASP 685 Cb 1.67 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 40.23 2pzr h ASP 685 CO 0.15 1.11 0.02 -0.37 -1.57 0.00 0.00 179.24 178.57 2pzr h VAL 686 N 0.39 1.24 0.09 -1.35 -1.51 -1.21 0.69 116.25 114.59 2pzr h VAL 686 Ca -0.02 -0.97 0.01 0.00 -1.23 0.00 0.00 66.70 64.50 2pzr h VAL 686 Cb 1.22 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 2pzr h VAL 686 CO 0.12 0.35 -0.18 -0.25 -1.23 0.00 0.00 177.57 176.38 2pzr h TRP 687 N 0.75 -0.46 -0.46 5.19 2.91 -1.39 0.41 115.95 122.90 2pzr h TRP 687 Ca 0.15 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.26 2pzr h TRP 687 Cb 0.43 0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 29.20 2pzr h TRP 687 CO 0.02 -0.26 0.04 0.77 -1.03 0.00 0.00 178.44 177.98 2pzr h SER 688 N -0.34 -0.11 -1.00 2.65 0.02 -1.01 0.64 113.55 114.40 2pzr h SER 688 Ca 0.03 0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.29 2pzr h SER 688 Cb 0.36 0.16 -0.10 0.00 0.14 0.00 0.00 62.40 62.95 2pzr h SER 688 CO -0.10 -0.02 0.62 0.15 -1.14 0.00 0.00 176.83 176.34 2pzr h PHE 689 N 0.16 0.91 -0.59 3.45 3.57 0.14 -0.90 116.94 123.68 2pzr h PHE 689 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2pzr h PHE 689 Cb 0.32 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2pzr h PHE 689 CO -0.26 0.15 0.38 0.78 -2.23 0.00 0.00 178.31 177.13 2pzr h GLY 690 N 0.61 0.84 1.66 2.40 0.00 0.13 0.12 103.07 108.83 2pzr h GLY 690 Ca 0.58 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 2pzr h GLY 690 CO -0.36 0.32 -0.24 -2.08 0.00 0.00 0.00 176.54 174.18 2pzr h VAL 691 N 0.80 1.25 -0.32 4.60 2.07 -1.04 -1.99 116.25 121.63 2pzr h VAL 691 Ca 0.22 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2pzr h VAL 691 Cb -0.07 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2pzr h VAL 691 CO -0.04 0.37 0.16 0.25 0.02 0.00 0.00 177.57 178.33 2pzr h LEU 692 N 0.36 0.41 -0.80 2.57 5.85 -0.51 -1.04 115.31 122.15 2pzr h LEU 692 Ca 0.06 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2pzr h LEU 692 Cb 0.61 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2pzr h LEU 692 CO 0.04 0.40 0.47 0.24 -0.34 0.00 0.00 178.44 179.26 2pzr h MET 693 N 0.38 0.81 -0.70 1.25 2.86 -0.29 -0.40 114.93 118.84 2pzr h MET 693 Ca 0.11 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2pzr h MET 693 Cb 0.10 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2pzr h MET 693 CO -0.02 0.54 0.33 2.35 1.06 0.00 0.00 176.91 181.17 2pzr h TRP 694 N 0.84 1.03 -0.74 -0.22 7.01 -0.93 -1.58 115.95 121.36 2pzr h TRP 694 Ca 0.36 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 2pzr h TRP 694 Cb 0.23 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 2pzr h TRP 694 CO -0.05 0.77 0.36 0.93 -2.79 0.00 0.00 178.44 177.65 2pzr h GLU 695 N 0.98 1.06 -0.14 2.65 5.08 -0.18 -2.16 114.58 121.88 2pzr h GLU 695 Ca 0.24 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2pzr h GLU 695 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2pzr h GLU 695 CO -0.03 0.83 0.06 0.82 -1.00 0.00 0.00 179.01 179.69 2pzr h ILE 696 N 1.04 1.15 0.00 3.13 2.04 -0.67 0.54 117.51 124.74 2pzr h ILE 696 Ca 0.25 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2pzr h ILE 696 Cb 0.11 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2pzr h ILE 696 CO -0.03 0.13 0.00 0.49 0.00 0.00 0.00 178.15 178.74 2pzr n PHE 697 N -4.89 0.00 -0.27 1.37 3.72 -0.63 -1.58 117.46 115.18 2pzr n PHE 697 Ca -0.05 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.42 2pzr n PHE 697 Cb 0.11 -0.33 0.20 0.00 -0.94 0.00 0.00 39.48 38.53 2pzr n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pzr n THR 698 N -1.33 1.08 -3.72 4.37 -2.24 -0.82 -4.69 114.28 106.93 2pzr n THR 698 Ca 0.11 -1.04 -0.25 0.00 -2.27 0.00 0.00 64.05 60.60 2pzr n THR 698 Cb 0.21 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 2pzr n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pzr n LEU 699 N 0.75 -3.11 0.00 3.22 4.77 -0.61 -2.95 117.00 119.07 2pzr n LEU 699 Ca 0.15 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2pzr n LEU 699 Cb 0.50 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 2pzr n LEU 699 CO 0.11 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2pzr n GLY 700 N -1.67 1.20 3.43 -0.72 0.00 0.19 -1.91 105.19 105.70 2pzr n GLY 700 Ca -0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2pzr n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pzr s GLY 701 N -2.21 1.49 -0.20 -0.02 0.00 -1.15 -4.87 107.32 100.36 2pzr s GLY 701 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.13 2pzr s GLY 701 CO 0.00 0.32 -0.01 -0.56 0.00 0.00 0.00 173.10 172.85 2pzr s SER 702 N -3.00 4.77 0.47 1.64 0.01 -1.26 -4.80 113.70 111.53 2pzr s SER 702 Ca 0.69 -0.22 -0.22 0.00 1.31 0.00 0.00 55.95 57.50 2pzr s SER 702 Cb -0.18 -1.81 -0.10 0.00 0.21 0.00 0.00 66.02 64.14 2pzr s SER 702 CO 0.60 0.06 0.86 -2.65 0.41 0.00 0.00 173.24 172.53 2pzr n PRO 703 N 4.28 1.03 -3.87 12.44 -0.02 -1.26 -3.44 135.00 144.16 2pzr n PRO 703 Ca -0.17 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 2pzr n PRO 703 Cb 0.52 -1.93 0.01 0.00 -0.02 0.00 0.00 33.50 32.08 2pzr n PRO 703 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pzr n TYR 704 N -0.91 -1.50 -1.71 6.00 4.01 -1.26 -4.80 117.16 116.99 2pzr n TYR 704 Ca 0.11 0.38 -0.41 0.00 -0.16 0.00 0.00 57.90 57.81 2pzr n TYR 704 Cb 0.42 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.01 2pzr n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2pzr n PRO 705 N -3.57 2.07 -0.74 -0.72 -0.04 -1.22 -2.24 135.00 128.53 2pzr n PRO 705 Ca -0.19 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2pzr n PRO 705 Cb 0.56 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2pzr n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pzr n GLY 706 N 0.76 0.41 3.43 0.55 0.00 -1.26 -4.97 105.19 104.11 2pzr n GLY 706 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2pzr n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pzr s ILE 707 N -2.22 4.15 0.56 -0.61 1.01 -0.95 -5.09 121.20 118.06 2pzr s ILE 707 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 2pzr s ILE 707 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2pzr s ILE 707 CO 0.00 0.36 1.27 -2.84 0.00 0.00 0.00 174.94 173.73 2pzr s PRO 708 N 1.53 3.08 0.34 2.79 0.02 -1.26 -4.88 135.00 136.62 2pzr s PRO 708 Ca 0.06 2.01 0.07 0.00 0.02 0.00 0.00 61.00 63.16 2pzr s PRO 708 Cb -0.15 -2.11 0.61 0.00 0.02 0.00 0.00 34.50 32.87 2pzr s PRO 708 CO 0.02 -1.17 1.82 -0.39 -0.33 0.00 0.00 177.00 176.96 2pzr h VAL 709 N 1.19 1.23 0.00 3.83 -1.51 -1.98 -2.08 116.25 116.93 2pzr h VAL 709 Ca -0.51 -1.05 -0.00 0.00 -1.23 0.00 0.00 66.70 63.91 2pzr h VAL 709 Cb 1.30 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2pzr h VAL 709 CO 0.56 0.33 -0.01 1.05 -1.23 0.00 0.00 177.57 178.28 2pzr h GLU 710 N 0.29 0.00 0.00 5.19 9.09 -2.03 -2.73 114.58 124.40 2pzr h GLU 710 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 2pzr h GLU 710 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 2pzr h GLU 710 CO 0.04 0.01 -1.26 0.39 0.05 0.00 0.00 179.01 178.23 2pzr n GLU 711 N -3.16 1.19 -0.04 1.06 1.02 -0.88 -4.79 120.64 115.03 2pzr n GLU 711 Ca -0.02 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 2pzr n GLU 711 Cb 0.12 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 2pzr n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pzr h LEU 712 N 0.00 -1.20 -1.27 -4.62 5.85 -1.06 -2.73 115.31 110.28 2pzr h LEU 712 Ca 0.00 0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.07 2pzr h LEU 712 Cb 0.48 0.48 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 2pzr h LEU 712 CO 0.00 -0.30 0.62 -0.26 -0.34 0.00 0.00 178.44 178.15 2pzr h PHE 713 N -0.34 0.79 0.14 1.25 -1.00 -1.87 0.22 116.94 116.14 2pzr h PHE 713 Ca 0.03 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 2pzr h PHE 713 Cb 0.43 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 2pzr h PHE 713 CO -0.60 0.18 -0.08 0.87 -1.61 0.00 0.00 178.31 177.07 2pzr h LYS 714 N 0.57 -0.20 -0.31 1.51 6.56 -1.82 0.56 116.57 123.44 2pzr h LYS 714 Ca 0.53 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.14 2pzr h LYS 714 Cb 1.08 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.77 2pzr h LYS 714 CO -0.28 -0.13 0.21 -0.07 -2.06 0.00 0.00 179.45 177.11 2pzr h LEU 715 N -0.21 0.36 0.12 2.94 3.38 -0.53 -0.29 115.31 121.07 2pzr h LEU 715 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2pzr h LEU 715 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2pzr h LEU 715 CO 0.02 0.26 -0.06 -0.07 0.09 0.00 0.00 178.44 178.69 2pzr h LEU 716 N 0.42 -0.13 -2.21 1.67 3.38 -0.02 0.29 115.31 118.70 2pzr h LEU 716 Ca 0.11 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2pzr h LEU 716 Cb -0.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pzr h LEU 716 CO -0.02 0.35 0.12 0.11 0.09 0.00 0.00 178.44 179.08 2pzr h LYS 717 N -0.66 0.00 0.00 1.13 1.57 -0.69 0.81 116.57 118.73 2pzr h LYS 717 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pzr h LYS 717 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2pzr h LYS 717 CO 0.03 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 177.00 2pzr n GLU 718 N -4.06 0.24 0.00 3.15 2.13 -0.14 -4.91 120.64 117.05 2pzr n GLU 718 Ca 0.00 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2pzr n GLU 718 Cb 0.24 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2pzr n GLU 718 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pzr n GLY 719 N 0.74 0.89 3.62 8.31 0.00 0.28 -5.05 105.19 113.99 2pzr n GLY 719 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2pzr n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pzr n HIS 720 N -0.92 1.22 -3.68 1.61 -0.00 0.93 -4.95 115.22 109.43 2pzr n HIS 720 Ca 0.00 0.51 -0.15 0.00 -0.00 0.00 0.00 57.72 58.09 2pzr n HIS 720 Cb 0.00 -2.23 -0.08 0.00 -0.00 0.00 0.00 29.99 27.68 2pzr n HIS 720 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2pzr s ARG 721 N -2.23 0.74 0.99 1.57 1.81 -1.26 -4.55 118.95 116.02 2pzr s ARG 721 Ca 0.66 0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.77 2pzr s ARG 721 Cb -0.51 0.35 0.14 0.00 -0.45 0.00 0.00 34.95 34.47 2pzr s ARG 721 CO 0.55 -0.18 0.79 -1.33 -0.68 0.00 0.00 175.30 174.44 2pzr n MET 722 N 1.68 -0.88 -2.93 3.54 2.81 -1.26 -5.00 117.12 115.09 2pzr n MET 722 Ca -0.18 -0.21 -0.26 0.00 -1.81 0.00 0.00 57.70 55.24 2pzr n MET 722 Cb 0.56 -2.12 -0.00 0.00 -0.71 0.00 0.00 33.22 30.95 2pzr n MET 722 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pzr s ASP 723 N -2.33 6.20 0.01 7.83 1.01 -1.26 -5.00 116.67 123.13 2pzr s ASP 723 Ca 0.63 0.68 -0.33 0.00 0.71 0.00 0.00 52.55 54.25 2pzr s ASP 723 Cb -0.22 -2.07 -0.11 0.00 1.01 0.00 0.00 42.92 41.53 2pzr s ASP 723 CO 0.63 -0.51 1.87 1.17 0.21 0.00 0.00 175.17 178.53 2pzr n LYS 724 N -2.09 2.47 -1.51 8.23 4.81 -1.26 -4.90 118.16 123.91 2pzr n LYS 724 Ca -0.01 0.90 -0.35 0.00 -0.87 0.00 0.00 58.31 57.98 2pzr n LYS 724 Cb 0.56 -2.78 0.09 0.00 0.02 0.00 0.00 35.03 32.92 2pzr n LYS 724 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2pzr s PRO 725 N 3.59 2.24 0.31 1.64 0.02 -1.26 -4.93 135.00 136.62 2pzr s PRO 725 Ca 0.88 1.81 -0.28 0.00 0.02 0.00 0.00 61.00 63.43 2pzr s PRO 725 Cb -0.59 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 2pzr s PRO 725 CO 0.45 -1.77 1.16 0.00 -0.33 0.00 0.00 177.00 176.51 2pzr s ALA 726 N -1.87 3.39 -0.57 -1.55 0.00 -1.26 -3.25 121.76 116.64 2pzr s ALA 726 Ca 0.76 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.69 2pzr s ALA 726 Cb -0.31 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2pzr s ALA 726 CO 0.44 -0.34 0.49 0.27 0.00 0.00 0.00 175.76 176.62 2pzr n ASN 727 N 0.89 -3.03 -3.78 0.00 2.04 -1.26 -4.86 115.26 105.26 2pzr n ASN 727 Ca 0.00 -0.26 -0.15 0.00 -0.44 0.00 0.00 54.58 53.74 2pzr n ASN 727 Cb 0.44 -2.54 -0.16 0.00 -2.53 0.00 0.00 39.78 34.99 2pzr n ASN 727 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pzr s THR 729 N 1.00 3.23 0.38 0.00 -4.23 -1.26 -4.88 115.64 109.87 2pzr s THR 729 Ca -0.08 0.59 0.35 0.00 -1.18 0.00 0.00 61.69 61.36 2pzr s THR 729 Cb -0.12 -3.12 0.37 0.00 1.34 0.00 0.00 72.50 70.98 2pzr s THR 729 CO -0.03 -0.34 2.13 0.78 -0.54 0.00 0.00 174.62 176.62 2pzr h ASN 730 N 0.15 0.00 -0.15 3.99 2.35 -1.98 -1.99 115.58 117.94 2pzr h ASN 730 Ca -0.47 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.22 2pzr h ASN 730 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2pzr h ASN 730 CO 0.54 0.05 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.16 2pzr h GLU 731 N 0.00 0.36 0.00 0.81 4.81 -1.99 -0.48 114.58 118.09 2pzr h GLU 731 Ca -0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 2pzr h GLU 731 Cb 0.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2pzr h GLU 731 CO 0.01 0.72 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.41 2pzr h LEU 732 N 0.00 0.00 -0.17 1.64 3.38 -1.86 -2.09 115.31 116.21 2pzr h LEU 732 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2pzr h LEU 732 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2pzr h LEU 732 CO 0.03 0.52 -0.76 0.22 0.09 0.00 0.00 178.44 178.54 2pzr h TYR 733 N 0.00 1.08 0.00 1.13 3.20 -1.28 -1.81 116.97 119.29 2pzr h TYR 733 Ca -0.01 -0.47 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 2pzr h TYR 733 Cb 0.95 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 2pzr h TYR 733 CO 0.00 1.30 -0.09 0.52 -1.64 0.00 0.00 178.16 178.25 2pzr h MET 734 N 0.55 0.00 -0.13 1.82 2.86 -0.90 -0.30 114.93 118.84 2pzr h MET 734 Ca -0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 2pzr h MET 734 Cb 1.39 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.06 2pzr h MET 734 CO 0.16 0.09 -0.52 1.98 1.06 0.00 0.00 176.91 179.67 2pzr h MET 735 N 0.00 0.58 -0.16 1.72 1.85 -0.95 -2.33 114.93 115.63 2pzr h MET 735 Ca -0.00 -0.45 -0.00 0.00 -0.61 0.00 0.00 59.70 58.63 2pzr h MET 735 Cb 0.25 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 2pzr h MET 735 CO 0.01 1.08 0.08 0.52 -0.40 0.00 0.00 176.91 178.20 2pzr h MET 736 N 0.21 0.23 -0.17 0.39 2.07 -0.41 -2.34 114.93 114.91 2pzr h MET 736 Ca -0.03 -0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.62 2pzr h MET 736 Cb 1.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.84 2pzr h MET 736 CO 0.11 0.26 0.12 0.00 1.07 0.00 0.00 176.91 178.47 2pzr h ARG 737 N 0.15 0.00 -0.40 1.72 2.47 -1.11 -1.67 114.38 115.53 2pzr h ARG 737 Ca 0.06 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 2pzr h ARG 737 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2pzr h ARG 737 CO -0.01 0.00 -0.31 -0.44 0.56 0.00 0.00 179.97 179.77 2pzr h ASP 738 N 0.00 0.97 0.07 7.04 3.32 -0.88 -2.71 116.42 124.23 2pzr h ASP 738 Ca 0.08 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 2pzr h ASP 738 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2pzr h ASP 738 CO -0.00 1.21 -0.07 0.00 -1.72 0.00 0.00 179.24 178.65 2pzr n TRP 740 N -4.45 2.20 -2.56 0.00 8.01 -1.02 -3.90 117.44 115.72 2pzr n TRP 740 Ca -0.03 -2.10 -0.41 0.00 -1.31 0.00 0.00 57.50 53.66 2pzr n TRP 740 Cb 0.15 -1.03 -0.05 0.00 -2.01 0.00 0.00 31.31 28.38 2pzr n TRP 740 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2pzr s HIS 741 N -2.53 3.68 0.23 -5.99 2.46 -0.92 -4.93 115.29 107.30 2pzr s HIS 741 Ca 0.43 1.72 -0.07 0.00 0.47 0.00 0.00 55.06 57.60 2pzr s HIS 741 Cb 0.35 -3.21 0.24 0.00 -0.13 0.00 0.00 32.58 29.83 2pzr s HIS 741 CO 0.02 -0.32 1.90 0.00 -2.47 0.00 0.00 174.74 173.87 2pzr h ALA 742 N 4.43 1.15 -2.14 1.58 0.00 -1.92 -3.39 119.26 118.97 2pzr h ALA 742 Ca -0.45 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 2pzr h ALA 742 Cb 1.21 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2pzr h ALA 742 CO 0.69 0.48 0.62 0.08 0.00 0.00 0.00 179.25 181.12 2pzr s VAL 743 N -6.11 4.71 0.21 0.00 1.01 -1.26 -4.90 120.40 114.05 2pzr s VAL 743 Ca -0.13 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 2pzr s VAL 743 Cb 0.17 -4.24 0.22 0.00 0.00 0.00 0.00 36.38 32.53 2pzr s VAL 743 CO 0.80 -0.25 1.62 -0.65 0.00 0.00 0.00 175.10 176.62 2pzr h PRO 744 N 7.85 -0.04 0.00 2.72 0.11 -1.94 -1.62 132.00 139.09 2pzr h PRO 744 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 2pzr h PRO 744 Cb 1.08 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pzr h PRO 744 CO 0.94 -0.02 -0.06 0.66 -0.21 0.00 0.00 178.00 179.31 2pzr h SER 745 N -0.04 0.00 -0.06 -2.05 4.64 -1.94 -1.96 113.55 112.14 2pzr h SER 745 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2pzr h SER 745 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2pzr h SER 745 CO -0.66 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.36 2pzr n GLN 746 N -3.43 1.31 -3.48 4.77 6.02 -0.61 -4.78 117.38 117.18 2pzr n GLN 746 Ca -0.02 -0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.18 2pzr n GLN 746 Cb 0.19 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 2pzr n GLN 746 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2pzr s ARG 747 N -1.92 3.79 1.12 -1.09 0.52 -0.74 -4.87 118.95 115.76 2pzr s ARG 747 Ca 0.32 0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 55.62 2pzr s ARG 747 Cb 0.16 -2.77 0.26 0.00 0.52 0.00 0.00 34.95 33.12 2pzr s ARG 747 CO 0.25 0.40 1.05 -1.25 0.02 0.00 0.00 175.30 175.77 2pzr s PRO 748 N -2.56 -0.57 0.35 3.54 0.04 -1.26 -5.02 135.00 129.53 2pzr s PRO 748 Ca 0.43 0.70 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2pzr s PRO 748 Cb -0.12 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2pzr s PRO 748 CO 0.21 -3.45 0.53 0.95 0.04 0.00 0.00 177.00 175.28 2pzr s THR 749 N -2.63 4.55 0.38 1.26 -4.23 -1.26 -4.91 115.64 108.79 2pzr s THR 749 Ca 0.67 -0.71 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 2pzr s THR 749 Cb -0.23 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.18 2pzr s THR 749 CO 0.62 -0.35 1.96 -0.26 -0.54 0.00 0.00 174.62 176.05 2pzr h PHE 750 N 0.76 0.46 -0.68 3.99 0.04 -1.94 -1.42 116.94 118.14 2pzr h PHE 750 Ca -0.48 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.26 2pzr h PHE 750 Cb 1.24 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 2pzr h PHE 750 CO 0.46 0.41 0.39 -0.22 -0.60 0.00 0.00 178.31 178.76 2pzr h LYS 751 N 0.45 0.94 -0.31 1.51 3.64 -1.92 -1.04 116.57 119.84 2pzr h LYS 751 Ca 0.11 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pzr h LYS 751 Cb 0.19 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2pzr h LYS 751 CO -0.00 0.69 0.09 1.96 -2.27 0.00 0.00 179.45 179.92 2pzr h GLN 752 N 0.93 0.48 -0.33 1.90 4.20 -1.73 -2.34 115.11 118.22 2pzr h GLN 752 Ca 0.24 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2pzr h GLN 752 Cb 0.00 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 2pzr h GLN 752 CO -0.04 0.53 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.49 2pzr h LEU 753 N 0.34 -0.32 -0.75 1.46 3.38 -0.97 -1.34 115.31 117.11 2pzr h LEU 753 Ca 0.10 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2pzr h LEU 753 Cb 0.25 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 2pzr h LEU 753 CO -0.00 -0.11 0.38 0.58 0.09 0.00 0.00 178.44 179.38 2pzr h VAL 754 N -0.00 0.83 -0.30 1.22 2.07 -1.00 -0.07 116.25 119.00 2pzr h VAL 754 Ca 0.16 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 2pzr h VAL 754 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2pzr h VAL 754 CO -0.34 0.12 -0.42 -0.33 0.02 0.00 0.00 177.57 176.61 2pzr h GLU 755 N 0.63 0.75 -0.23 1.57 5.08 -0.86 -0.20 114.58 121.33 2pzr h GLU 755 Ca 0.38 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2pzr h GLU 755 Cb 0.41 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2pzr h GLU 755 CO -0.28 1.03 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.12 2pzr h ASP 756 N 0.61 0.56 -0.52 1.42 3.32 -0.82 -1.72 116.42 119.28 2pzr h ASP 756 Ca 0.04 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 2pzr h ASP 756 Cb 0.98 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2pzr h ASP 756 CO 0.09 0.90 0.11 -0.07 -1.72 0.00 0.00 179.24 178.55 2pzr h LEU 757 N 0.23 0.84 -0.96 1.55 3.38 -1.02 0.75 115.31 120.07 2pzr h LEU 757 Ca 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2pzr h LEU 757 Cb 0.73 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2pzr h LEU 757 CO 0.05 0.84 0.36 -0.78 0.09 0.00 0.00 178.44 179.00 2pzr h ASP 758 N 0.85 1.00 -0.21 -0.43 3.58 -0.94 0.11 116.42 120.39 2pzr h ASP 758 Ca 0.18 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2pzr h ASP 758 Cb 0.35 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2pzr h ASP 758 CO 0.00 0.85 -0.15 -0.09 -2.88 0.00 0.00 179.24 176.97 2pzr h ARG 759 N 1.10 0.47 0.11 0.28 2.43 -0.46 -2.10 114.38 116.20 2pzr h ARG 759 Ca 0.26 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2pzr h ARG 759 Cb 0.12 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2pzr h ARG 759 CO -0.03 0.79 -0.05 0.82 -1.51 0.00 0.00 179.97 179.98 2pzr h ILE 760 N 0.16 0.97 -0.50 1.20 2.04 -0.61 -1.49 117.51 119.27 2pzr h ILE 760 Ca 0.04 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.69 2pzr h ILE 760 Cb 0.67 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2pzr h ILE 760 CO 0.04 0.06 0.24 0.25 0.00 0.00 0.00 178.15 178.74 2pzr h LEU 761 N -0.26 0.33 -0.40 1.44 5.85 -0.83 -1.17 115.31 120.26 2pzr h LEU 761 Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2pzr h LEU 761 Cb 0.21 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2pzr h LEU 761 CO 0.02 0.23 0.15 0.74 -0.34 0.00 0.00 178.44 179.24 2pzr h THR 762 N 0.47 1.20 0.00 1.05 2.02 -1.30 -2.21 112.91 114.14 2pzr h THR 762 Ca 0.23 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 2pzr h THR 762 Cb 0.16 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2pzr h THR 762 CO -0.17 0.23 -0.09 -0.07 0.37 0.00 0.00 175.52 175.79 2pzr h LEU 763 N 0.50 0.00 -0.36 2.58 3.38 -1.05 -2.48 115.31 117.88 2pzr h LEU 763 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2pzr h LEU 763 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pzr h LEU 763 CO -0.01 0.09 -0.40 0.74 0.09 0.00 0.00 178.44 178.95 2pzr h THR 764 N 0.00 1.27 0.00 0.22 2.02 -0.63 -2.44 112.91 113.36 2pzr h THR 764 Ca -0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2pzr h THR 764 Cb 0.55 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2pzr h THR 764 CO 0.01 0.53 0.00 0.41 0.37 0.00 0.00 175.52 176.84 2pzr n THR 765 N -4.07 1.24 -0.07 3.16 -1.04 -0.93 -5.07 114.28 107.49 2pzr n THR 765 Ca -0.03 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 2pzr n THR 765 Cb 0.55 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 2pzr n THR 765 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02