#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzr n PRO 469 N 0.00 0.27 -3.17 1.96 -0.02 -1.26 -4.89 135.00 127.88 2pzr n PRO 469 Ca 0.00 0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 2pzr n PRO 469 Cb 0.00 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2pzr n PRO 469 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2pzr s GLU 470 N -2.49 4.09 -0.65 -0.52 1.03 -1.26 -4.94 118.70 113.96 2pzr s GLU 470 Ca 0.63 0.43 0.03 0.00 0.03 0.00 0.00 54.97 56.09 2pzr s GLU 470 Cb -0.36 -3.65 0.16 0.00 -0.80 0.00 0.00 34.13 29.48 2pzr s GLU 470 CO 0.60 -0.38 0.43 0.34 -1.33 0.00 0.00 175.26 174.92 2pzr s ASP 471 N 1.51 4.82 0.30 0.83 3.68 -1.26 -4.95 116.67 121.60 2pzr s ASP 471 Ca 0.24 -3.41 0.05 0.00 2.13 0.00 0.00 52.55 51.55 2pzr s ASP 471 Cb -0.16 -1.70 0.80 0.00 -1.45 0.00 0.00 42.92 40.42 2pzr s ASP 471 CO 0.09 -0.18 1.65 -0.65 0.13 0.00 0.00 175.17 176.21 2pzr h PRO 472 N 6.07 0.24 -0.93 4.34 0.11 -1.94 -0.83 132.00 139.06 2pzr h PRO 472 Ca 0.04 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.28 2pzr h PRO 472 Cb 0.83 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.81 2pzr h PRO 472 CO 0.72 0.16 0.59 -0.22 -0.21 0.00 0.00 178.00 179.05 2pzr h LYS 473 N 0.25 0.74 0.00 1.05 3.64 -2.02 -3.13 116.57 117.10 2pzr h LYS 473 Ca 0.60 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2pzr h LYS 473 Cb 1.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2pzr h LYS 473 CO -0.64 0.49 -1.11 0.91 -2.27 0.00 0.00 179.45 176.83 2pzr n TRP 474 N -4.59 0.00 -1.69 1.91 7.02 -0.45 -5.02 117.44 114.62 2pzr n TRP 474 Ca 0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.26 2pzr n TRP 474 Cb 0.46 -0.15 0.02 0.00 -2.42 0.00 0.00 31.31 29.21 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 -1.64 1.74 -4.38 -0.99 4.07 -0.44 -1.05 120.64 117.95 2pzr n GLU 475 Ca 0.00 0.62 -0.22 0.00 -0.06 0.00 0.00 57.16 57.50 2pzr n GLU 475 Cb 0.28 -2.35 -0.16 0.00 -0.06 0.00 0.00 31.44 29.15 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 -1.25 1.08 -0.03 4.31 5.36 -0.92 -4.74 117.98 121.79 2pzr s PHE 476 Ca 0.64 -0.36 -0.34 0.00 -0.96 0.00 0.00 56.93 55.91 2pzr s PHE 476 Cb -0.49 -0.84 -0.12 0.00 -0.34 0.00 0.00 43.02 41.22 2pzr s PHE 476 CO 0.56 -0.22 1.83 -0.35 -1.46 0.00 0.00 175.22 175.58 2pzr n PRO 477 N 3.87 2.23 0.25 10.12 -0.04 -1.26 -4.47 135.00 145.70 2pzr n PRO 477 Ca -0.24 0.81 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 2pzr n PRO 477 Cb 0.51 -2.65 0.62 0.00 -0.04 0.00 0.00 33.50 31.94 2pzr n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pzr h ARG 478 N 8.65 0.00 0.00 0.54 3.08 -1.98 -2.16 114.38 122.50 2pzr h ARG 478 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2pzr h ARG 478 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2pzr h ARG 478 CO 0.94 0.07 0.00 -0.40 -1.07 0.00 0.00 179.97 179.50 2pzr n ASP 479 N -4.37 0.57 -0.19 7.04 5.68 -1.26 -2.33 116.55 121.69 2pzr n ASP 479 Ca -0.03 0.59 0.12 0.00 -0.50 0.00 0.00 54.79 54.97 2pzr n ASP 479 Cb 0.15 -0.73 0.21 0.00 -1.14 0.00 0.00 41.12 39.61 2pzr n ASP 479 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pzr n LYS 480 N -2.07 0.56 -3.72 0.11 4.76 -0.82 -4.86 118.16 112.13 2pzr n LYS 480 Ca 0.04 -0.38 -0.36 0.00 -2.87 0.00 0.00 58.31 54.74 2pzr n LYS 480 Cb 0.33 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 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 -2.70 4.09 -0.31 -0.35 2.96 -0.98 -1.14 118.68 120.25 2pzr s LEU 481 Ca 0.17 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2pzr s LEU 481 Cb 0.18 -2.08 0.09 0.00 0.50 0.00 0.00 46.19 44.88 2pzr s LEU 481 CO 0.63 0.10 0.02 -0.89 -1.32 0.00 0.00 176.35 174.89 2pzr s THR 482 N 0.82 2.00 0.94 3.68 2.01 0.22 -4.96 115.64 120.35 2pzr s THR 482 Ca 0.07 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 59.97 2pzr s THR 482 Cb -0.13 -2.40 0.16 0.00 0.01 0.00 0.00 72.50 70.14 2pzr s THR 482 CO 0.02 -0.47 1.10 -0.76 -0.69 0.00 0.00 174.62 173.82 2pzr s LEU 483 N 1.08 2.26 0.00 4.42 1.43 -1.26 -0.16 118.68 126.44 2pzr s LEU 483 Ca 0.06 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 2pzr s LEU 483 Cb -0.19 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2pzr s LEU 483 CO -0.10 -3.05 0.00 0.61 0.23 0.00 0.00 176.35 174.04 2pzr n GLY 484 N -0.28 4.01 3.64 -3.19 0.00 0.74 -4.80 105.19 105.32 2pzr n GLY 484 Ca 0.08 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2pzr n GLY 484 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pzr n LYS 485 N 0.00 1.52 -1.78 1.61 -0.00 -1.26 -4.48 118.16 113.77 2pzr n LYS 485 Ca 0.00 0.55 -0.32 0.00 -0.00 0.00 0.00 58.31 58.54 2pzr n LYS 485 Cb 0.00 -2.18 0.04 0.00 -0.00 0.00 0.00 35.03 32.89 2pzr n LYS 485 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2pzr s PRO 486 N -2.16 3.03 -0.18 -1.58 0.02 -1.26 -0.81 135.00 132.06 2pzr s PRO 486 Ca 0.64 1.14 -0.10 0.00 0.02 0.00 0.00 61.00 62.69 2pzr s PRO 486 Cb -0.53 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.92 2pzr s PRO 486 CO 0.56 -1.04 -0.25 1.28 -0.33 0.00 0.00 177.00 177.22 2pzr n LEU 487 N -2.59 1.43 -4.69 -5.54 4.77 -1.26 -4.72 117.00 104.40 2pzr n LEU 487 Ca 0.09 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 2pzr n LEU 487 Cb 0.53 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2pzr n LEU 487 CO 0.51 0.25 0.80 -1.58 -1.33 0.00 0.00 177.39 176.05 2pzr s GLN 494 N -2.41 4.42 -0.05 3.23 0.74 -1.20 -4.96 119.66 119.43 2pzr s GLN 494 Ca -0.26 1.43 0.05 0.00 0.05 0.00 0.00 55.36 56.62 2pzr s GLN 494 Cb 0.09 -3.54 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2pzr s GLN 494 CO 0.33 -0.32 -0.19 0.08 -0.55 0.00 0.00 175.29 174.64 2pzr s VAL 495 N 1.99 1.63 0.07 1.34 1.01 -1.26 -1.43 120.40 123.75 2pzr s VAL 495 Ca 0.49 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2pzr s VAL 495 Cb -0.19 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2pzr s VAL 495 CO 0.19 0.46 -0.12 0.68 0.00 0.00 0.00 175.10 176.31 2pzr s VAL 496 N 0.07 0.95 0.43 2.92 -7.23 -0.28 -4.66 120.40 112.60 2pzr s VAL 496 Ca -0.06 -1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 2pzr s VAL 496 Cb -0.13 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.72 2pzr s VAL 496 CO 0.03 -0.32 1.03 -0.32 -0.31 0.00 0.00 175.10 175.22 2pzr s MET 497 N -1.86 4.05 0.18 4.82 1.75 0.01 0.30 119.30 128.54 2pzr s MET 497 Ca -0.03 1.42 -0.12 0.00 -1.25 0.00 0.00 55.69 55.72 2pzr s MET 497 Cb -0.09 -2.36 0.00 0.00 2.84 0.00 0.00 34.83 35.23 2pzr s MET 497 CO 0.02 -0.23 0.36 0.00 -0.65 0.00 0.00 175.02 174.52 2pzr s ALA 498 N -1.81 -0.28 -0.31 4.11 0.00 0.53 -0.18 121.76 123.81 2pzr s ALA 498 Ca 0.61 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 2pzr s ALA 498 Cb -0.19 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.85 2pzr s ALA 498 CO 0.23 -0.70 0.03 -1.21 0.00 0.00 0.00 175.76 174.11 2pzr s GLU 499 N -3.94 2.40 -0.32 0.00 0.41 0.77 -0.37 118.70 117.66 2pzr s GLU 499 Ca 0.15 -1.31 -0.10 0.00 -0.41 0.00 0.00 54.97 53.31 2pzr s GLU 499 Cb 0.02 -3.24 -0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2pzr s GLU 499 CO -0.00 -0.66 0.16 0.00 -0.49 0.00 0.00 175.26 174.26 2pzr s ALA 500 N 1.25 3.26 -0.28 5.21 0.00 0.57 -0.61 121.76 131.17 2pzr s ALA 500 Ca -0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 2pzr s ALA 500 Cb -0.20 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 2pzr s ALA 500 CO -0.01 -0.98 0.73 0.08 0.00 0.00 0.00 175.76 175.58 2pzr s VAL 501 N 1.60 4.87 -0.77 0.00 1.01 -0.29 0.87 120.40 127.70 2pzr s VAL 501 Ca 0.04 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2pzr s VAL 501 Cb -0.17 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2pzr s VAL 501 CO 0.06 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pzr n GLY 502 N 4.15 0.09 0.25 4.51 0.00 0.12 -4.87 105.19 109.44 2pzr n GLY 502 Ca 0.02 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.66 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 0.14 -3.60 -0.61 6.09 -1.77 -3.39 117.51 114.37 2pzr h ILE 503 Ca -0.21 -0.75 -0.62 0.00 -1.37 0.00 0.00 64.86 61.90 2pzr h ILE 503 Cb 1.11 1.66 -0.13 0.00 0.47 0.00 0.00 36.82 39.93 2pzr h ILE 503 CO 0.25 0.06 0.34 -0.62 -3.07 0.00 0.00 178.15 175.11 2pzr s ASP 504 N -5.90 6.44 0.61 2.19 -1.08 -1.26 -4.93 116.67 112.74 2pzr s ASP 504 Ca 0.02 -0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.33 2pzr s ASP 504 Cb 0.09 -2.38 1.55 0.00 -1.46 0.00 0.00 42.92 40.71 2pzr s ASP 504 CO 0.59 -0.86 1.94 0.07 0.52 0.00 0.00 175.17 177.42 2pzr h LYS 505 N 8.86 0.00 0.00 4.34 5.09 -2.01 -1.18 116.57 131.67 2pzr h LYS 505 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.49 2pzr h LYS 505 Cb 1.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.42 2pzr h LYS 505 CO 0.94 0.00 -1.06 -0.25 -2.09 0.00 0.00 179.45 176.99 2pzr n ASP 506 N -3.52 0.72 -2.87 7.07 8.00 -1.26 -4.39 116.55 120.31 2pzr n ASP 506 Ca 0.04 0.21 -0.26 0.00 0.71 0.00 0.00 54.79 55.49 2pzr n ASP 506 Cb 0.54 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 2pzr n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pzr n LYS 507 N -2.49 3.14 0.30 -1.24 4.01 -0.45 -4.94 118.16 116.49 2pzr n LYS 507 Ca 0.00 -4.71 0.00 0.00 -0.51 0.00 0.00 58.31 53.10 2pzr n LYS 507 Cb 0.53 -2.20 0.01 0.00 -0.51 0.00 0.00 35.03 32.85 2pzr n LYS 507 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2pzr n PRO 508 N -0.26 0.03 0.00 1.97 -0.02 -1.22 -0.42 135.00 135.08 2pzr n PRO 508 Ca 0.32 0.90 0.03 0.00 -2.02 0.00 0.00 63.50 62.73 2pzr n PRO 508 Cb 0.46 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.40 -0.16 -3.43 -0.52 4.01 -1.26 -4.03 118.16 110.36 2pzr n LYS 509 Ca 0.00 -0.84 -0.38 0.00 -0.51 0.00 0.00 58.31 56.59 2pzr n LYS 509 Cb 0.95 -1.11 -0.06 0.00 -0.51 0.00 0.00 35.03 34.31 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 -0.49 4.03 -0.30 1.97 -1.05 0.44 -4.78 118.70 118.52 2pzr s GLU 510 Ca 0.07 0.48 -0.15 0.00 -0.15 0.00 0.00 54.97 55.22 2pzr s GLU 510 Cb 0.05 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.46 2pzr s GLU 510 CO 0.07 0.61 0.36 0.00 0.95 0.00 0.00 175.26 177.26 2pzr s ALA 511 N -0.85 3.53 -0.16 -0.84 0.00 -1.26 0.14 121.76 122.31 2pzr s ALA 511 Ca 0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2pzr s ALA 511 Cb -0.17 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 2pzr s ALA 511 CO 0.14 -0.83 0.25 0.08 0.00 0.00 0.00 175.76 175.40 2pzr s VAL 512 N 2.05 5.33 -0.31 0.00 1.01 0.25 -4.84 120.40 123.90 2pzr s VAL 512 Ca 0.14 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2pzr s VAL 512 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2pzr s VAL 512 CO 0.11 0.42 1.29 -0.89 0.00 0.00 0.00 175.10 176.03 2pzr s THR 513 N 0.31 4.15 0.46 3.92 2.01 -1.26 -0.32 115.64 124.92 2pzr s THR 513 Ca 0.15 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.45 2pzr s THR 513 Cb -0.13 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 2pzr s THR 513 CO 0.03 -0.50 0.02 1.33 -0.69 0.00 0.00 174.62 174.81 2pzr n VAL 514 N 6.25 0.00 -5.13 3.82 0.24 0.50 -4.34 118.33 119.67 2pzr n VAL 514 Ca 0.15 -2.25 -0.32 0.00 -2.04 0.00 0.00 64.34 59.88 2pzr n VAL 514 Cb 0.47 0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 33.19 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 -2.86 2.33 -0.16 2.33 0.00 -0.25 -0.35 121.76 122.81 2pzr s ALA 515 Ca 0.03 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2pzr s ALA 515 Cb 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.34 2pzr s ALA 515 CO 0.02 0.44 -0.21 0.08 0.00 0.00 0.00 175.76 176.09 2pzr s VAL 516 N -0.26 2.03 -0.18 0.00 1.01 0.15 -0.74 120.40 122.41 2pzr s VAL 516 Ca -0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2pzr s VAL 516 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2pzr s VAL 516 CO 0.03 0.54 0.10 -0.75 0.00 0.00 0.00 175.10 175.01 2pzr s LYS 517 N 1.03 4.00 0.24 2.72 2.20 -0.73 -1.12 119.74 128.08 2pzr s LYS 517 Ca -0.02 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2pzr s LYS 517 Cb -0.14 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2pzr s LYS 517 CO -0.07 0.34 0.27 0.00 -0.36 0.00 0.00 175.35 175.53 2pzr s MET 518 N 0.21 1.40 0.83 4.03 0.23 -0.52 -1.03 119.30 124.46 2pzr s MET 518 Ca 0.06 -1.56 -0.12 0.00 -1.03 0.00 0.00 55.69 53.05 2pzr s MET 518 Cb -0.12 0.35 0.09 0.00 -1.53 0.00 0.00 34.83 33.62 2pzr s MET 518 CO -0.00 -0.52 1.10 -0.51 -2.03 0.00 0.00 175.02 173.06 2pzr s LEU 519 N -3.14 2.44 0.34 0.18 1.43 -1.26 -3.20 118.68 115.46 2pzr s LEU 519 Ca 0.34 1.26 0.07 0.00 -1.03 0.00 0.00 54.13 54.76 2pzr s LEU 519 Cb 0.04 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 2pzr s LEU 519 CO 0.13 -2.17 0.46 -0.54 0.23 0.00 0.00 176.35 174.46 2pzr s LYS 520 N -5.15 3.09 0.50 1.70 1.02 -1.26 -4.82 119.74 114.82 2pzr s LYS 520 Ca 0.62 -1.03 0.16 0.00 0.02 0.00 0.00 55.97 55.73 2pzr s LYS 520 Cb -0.15 -2.80 1.22 0.00 -0.52 0.00 0.00 37.83 35.58 2pzr s LYS 520 CO 0.54 0.05 2.11 0.22 -0.92 0.00 0.00 175.35 177.35 2pzr h ASP 521 N 0.90 0.08 -0.59 2.83 -0.00 -2.04 -0.31 116.42 117.29 2pzr h ASP 521 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 2pzr h ASP 521 Cb 1.26 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 2pzr h ASP 521 CO 0.53 0.06 0.00 -0.90 -0.00 0.00 0.00 179.24 178.93 2pzr n ASP 522 N -4.50 4.92 -4.41 2.28 3.85 -1.26 -5.01 116.55 112.42 2pzr n ASP 522 Ca 0.00 -2.60 -0.36 0.00 -0.71 0.00 0.00 54.79 51.12 2pzr n ASP 522 Cb 0.18 -0.61 0.07 0.00 -1.35 0.00 0.00 41.12 39.41 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 0.88 -2.08 -2.54 2.12 0.00 -0.13 -5.02 120.51 113.74 2pzr n ALA 523 Ca 0.25 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 2pzr n ALA 523 Cb 0.97 -1.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.99 2.38 0.19 0.00 -4.23 -1.26 -5.00 115.64 105.72 2pzr s THR 524 Ca 0.62 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 2pzr s THR 524 Cb -0.33 -2.85 0.11 0.00 1.34 0.00 0.00 72.50 70.78 2pzr s THR 524 CO 0.62 -0.12 1.72 -0.08 -0.54 0.00 0.00 174.62 176.22 2pzr h GLU 525 N 1.77 0.26 -0.86 3.99 4.81 -2.01 -0.86 114.58 121.69 2pzr h GLU 525 Ca -0.43 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2pzr h GLU 525 Cb 1.25 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2pzr h GLU 525 CO 0.71 0.17 0.57 -0.22 -0.73 0.00 0.00 179.01 179.51 2pzr h LYS 526 N 0.27 1.08 -0.42 1.92 1.63 -1.99 -1.47 116.57 117.58 2pzr h LYS 526 Ca 0.26 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2pzr h LYS 526 Cb 0.34 -0.24 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 2pzr h LYS 526 CO -0.32 0.71 0.09 -0.44 -3.45 0.00 0.00 179.45 176.04 2pzr h ASP 527 N 1.11 0.01 0.27 4.20 3.32 -1.55 0.21 116.42 123.98 2pzr h ASP 527 Ca 0.33 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2pzr h ASP 527 Cb -0.04 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2pzr h ASP 527 CO -0.09 0.04 -0.13 0.25 -1.72 0.00 0.00 179.24 177.59 2pzr h LEU 528 N 0.22 -0.31 -1.10 1.55 5.85 -1.06 0.27 115.31 120.74 2pzr h LEU 528 Ca 0.21 -0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.04 2pzr h LEU 528 Cb 0.25 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 2pzr h LEU 528 CO -0.27 -0.11 0.61 0.77 -0.34 0.00 0.00 178.44 179.10 2pzr h SER 529 N -0.49 0.73 -0.07 1.25 4.64 -0.93 0.17 113.55 118.85 2pzr h SER 529 Ca -0.04 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2pzr h SER 529 Cb 0.37 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2pzr h SER 529 CO 0.06 0.27 -0.02 0.44 -0.87 0.00 0.00 176.83 176.71 2pzr h ASP 530 N 0.71 0.15 -0.36 4.97 3.32 -0.10 -1.78 116.42 123.33 2pzr h ASP 530 Ca 0.56 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2pzr h ASP 530 Cb 0.94 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2pzr h ASP 530 CO -0.34 0.49 0.18 0.25 -1.72 0.00 0.00 179.24 178.10 2pzr h LEU 531 N -0.20 0.27 -0.57 1.55 5.85 0.14 0.10 115.31 122.45 2pzr h LEU 531 Ca 0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2pzr h LEU 531 Cb 0.43 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2pzr h LEU 531 CO 0.01 0.20 0.25 0.58 -0.34 0.00 0.00 178.44 179.13 2pzr h VAL 532 N 0.38 0.85 -0.70 1.05 2.07 -0.75 -2.09 116.25 117.06 2pzr h VAL 532 Ca 0.15 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2pzr h VAL 532 Cb 0.06 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2pzr h VAL 532 CO -0.10 0.08 0.20 0.28 0.02 0.00 0.00 177.57 178.05 2pzr h SER 533 N 0.46 1.03 -0.12 0.57 0.02 -0.56 -1.53 113.55 113.41 2pzr h SER 533 Ca 0.27 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2pzr h SER 533 Cb 0.27 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2pzr h SER 533 CO -0.24 0.97 0.01 -0.08 -1.14 0.00 0.00 176.83 176.35 2pzr h GLU 534 N 1.05 0.06 0.35 3.45 4.81 -0.18 -0.48 114.58 123.64 2pzr h GLU 534 Ca 0.23 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2pzr h GLU 534 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2pzr h GLU 534 CO -0.00 0.04 -0.32 1.98 -0.73 0.00 0.00 179.01 179.97 2pzr h MET 535 N 0.06 -0.64 -0.95 1.92 4.05 -1.12 -1.55 114.93 116.70 2pzr h MET 535 Ca 0.05 0.04 0.28 0.00 -0.28 0.00 0.00 59.70 59.80 2pzr h MET 535 Cb 0.05 0.15 -0.15 0.00 -0.80 0.00 0.00 31.60 30.85 2pzr h MET 535 CO -0.08 -0.43 0.40 0.93 0.23 0.00 0.00 176.91 177.96 2pzr h GLU 536 N -0.67 0.25 -0.09 0.39 4.39 -1.21 0.16 114.58 117.80 2pzr h GLU 536 Ca -0.05 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2pzr h GLU 536 Cb 0.57 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2pzr h GLU 536 CO -0.02 0.17 -0.03 1.98 -1.16 0.00 0.00 179.01 179.94 2pzr h MET 537 N 0.26 -0.02 -0.31 2.33 4.05 -0.53 -1.86 114.93 118.86 2pzr h MET 537 Ca 0.65 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 60.05 2pzr h MET 537 Cb 1.42 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.20 2pzr h MET 537 CO -0.64 -0.01 0.09 0.52 0.23 0.00 0.00 176.91 177.10 2pzr h MET 538 N -0.02 0.43 -0.73 0.39 2.86 0.24 -1.04 114.93 117.07 2pzr h MET 538 Ca 0.05 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2pzr h MET 538 Cb 0.09 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2pzr h MET 538 CO -0.11 0.39 0.42 0.87 1.06 0.00 0.00 176.91 179.55 2pzr h LYS 539 N 0.43 1.01 -0.20 1.72 1.57 -0.43 -2.96 116.57 117.71 2pzr h LYS 539 Ca 0.11 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2pzr h LYS 539 Cb 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2pzr h LYS 539 CO -0.01 0.73 -0.20 0.52 -0.57 0.00 0.00 179.45 179.92 2pzr h MET 540 N 1.00 0.50 -6.80 3.15 2.86 -0.60 -3.43 114.93 111.61 2pzr h MET 540 Ca 0.26 -0.26 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 2pzr h MET 540 Cb 0.00 0.01 0.06 0.00 0.06 0.00 0.00 31.60 31.73 2pzr h MET 540 CO -0.05 0.84 0.71 0.42 1.06 0.00 0.00 176.91 179.89 2pzr s ILE 541 N -4.33 2.70 0.00 -1.22 1.01 -0.48 -5.00 121.20 113.88 2pzr s ILE 541 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2pzr s ILE 541 Cb 0.07 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2pzr s ILE 541 CO 0.78 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.45 2pzr n GLY 542 N 1.62 -0.45 3.94 6.18 0.00 -1.26 -4.86 105.19 110.36 2pzr n GLY 542 Ca 0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 2pzr n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pzr s LYS 543 N 0.00 3.49 -0.27 1.61 -0.14 -1.26 -4.98 119.74 118.19 2pzr s LYS 543 Ca 0.00 -0.44 -0.26 0.00 -1.36 0.00 0.00 55.97 53.91 2pzr s LYS 543 Cb 0.00 -2.85 0.14 0.00 -1.68 0.00 0.00 37.83 33.43 2pzr s LYS 543 CO 0.00 0.40 1.11 -1.58 -0.76 0.00 0.00 175.35 174.52 2pzr s HIS 544 N -1.90 -0.37 0.48 3.18 5.04 -1.26 -5.03 115.29 115.42 2pzr s HIS 544 Ca 0.37 0.87 0.19 0.00 -1.54 0.00 0.00 55.06 54.95 2pzr s HIS 544 Cb -0.11 0.40 1.19 0.00 0.04 0.00 0.00 32.58 34.11 2pzr s HIS 544 CO 0.30 -0.20 2.00 1.57 -2.34 0.00 0.00 174.74 176.06 2pzr h LYS 545 N 3.72 0.21 -0.69 2.88 5.09 -1.99 -2.85 116.57 122.94 2pzr h LYS 545 Ca -0.26 -0.01 -0.24 0.00 0.09 0.00 0.00 60.65 60.23 2pzr h LYS 545 Cb 1.18 -0.05 -0.14 0.00 0.10 0.00 0.00 32.23 33.32 2pzr h LYS 545 CO 0.15 0.14 0.27 0.09 -2.09 0.00 0.00 179.45 178.00 2pzr n ASN 546 N -4.44 4.38 -3.79 7.07 4.13 -1.26 -4.75 115.26 116.59 2pzr n ASN 546 Ca 0.09 -3.32 -0.14 0.00 1.68 0.00 0.00 54.58 52.89 2pzr n ASN 546 Cb 0.45 -0.73 -0.15 0.00 -1.54 0.00 0.00 39.78 37.80 2pzr n ASN 546 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pzr s ILE 547 N -3.05 -0.04 0.23 2.41 -4.36 -1.08 -0.89 121.20 114.42 2pzr s ILE 547 Ca 0.53 0.15 -0.31 0.00 -0.26 0.00 0.00 60.65 60.76 2pzr s ILE 547 Cb 0.44 -0.10 -0.11 0.00 1.25 0.00 0.00 42.46 43.93 2pzr s ILE 547 CO 0.11 0.06 1.62 -0.63 0.24 0.00 0.00 174.94 176.34 2pzr s ILE 548 N 0.78 2.24 0.14 8.37 1.01 -0.73 -4.58 121.20 128.43 2pzr s ILE 548 Ca -0.06 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2pzr s ILE 548 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2pzr s ILE 548 CO -0.03 0.02 0.23 0.20 0.00 0.00 0.00 174.94 175.36 2pzr s ASN 549 N 0.86 6.07 0.05 3.58 0.01 -1.26 -4.96 114.94 119.28 2pzr s ASN 549 Ca 0.68 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 52.61 2pzr s ASN 549 Cb -0.47 -1.76 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2pzr s ASN 549 CO 0.38 0.07 1.07 -0.22 -1.51 0.00 0.00 177.10 176.89 2pzr s LEU 550 N -3.11 4.39 0.00 0.60 2.96 -1.26 -2.26 118.68 120.00 2pzr s LEU 550 Ca 0.33 1.84 0.15 0.00 -0.22 0.00 0.00 54.13 56.24 2pzr s LEU 550 Cb -0.11 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 2pzr s LEU 550 CO 0.27 -0.32 0.70 0.18 -1.32 0.00 0.00 176.35 175.85 2pzr n LEU 551 N 3.71 0.96 0.00 -0.68 4.77 0.86 -4.93 117.00 121.70 2pzr n LEU 551 Ca 0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2pzr n LEU 551 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2pzr n LEU 551 CO 0.53 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2pzr n GLY 552 N 1.30 2.20 3.38 -0.72 0.00 -1.03 -4.98 105.19 105.34 2pzr n GLY 552 Ca 0.04 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.75 -1.22 -0.29 4.61 0.00 -0.21 0.09 121.76 122.99 2pzr s ALA 553 Ca 0.00 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2pzr s ALA 553 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2pzr s ALA 553 CO 0.00 -0.26 0.41 0.00 0.00 0.00 0.00 175.76 175.92 2pzr n THR 555 N 5.18 0.00 -4.36 0.00 -2.24 -1.26 -1.35 114.28 110.24 2pzr n THR 555 Ca -0.07 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 2pzr n THR 555 Cb 0.50 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.59 2.16 -1.23 -0.78 -1.52 -1.26 -4.80 119.66 111.64 2pzr s GLN 556 Ca 0.00 -0.98 -0.19 0.00 -1.95 0.00 0.00 55.36 52.24 2pzr s GLN 556 Cb 0.00 -2.30 0.01 0.00 -0.22 0.00 0.00 33.01 30.50 2pzr s GLN 556 CO 0.00 0.53 0.66 -0.25 -0.25 0.00 0.00 175.29 175.98 2pzr n ASP 557 N 1.04 -3.77 0.00 5.90 8.00 -1.26 -4.90 116.55 121.56 2pzr n ASP 557 Ca -0.15 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2pzr n ASP 557 Cb 0.52 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 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 -1.88 0.14 3.53 0.44 0.00 -1.26 -5.13 105.19 101.03 2pzr n GLY 558 Ca -0.15 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.32 -0.26 -2.86 1.61 -0.04 -1.26 -4.90 135.00 125.97 2pzr n PRO 559 Ca 0.00 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 2pzr n PRO 559 Cb 0.00 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 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 -3.38 4.08 -0.18 1.53 2.96 -1.26 -4.66 118.68 117.77 2pzr s LEU 560 Ca 0.63 1.07 -0.00 0.00 -0.22 0.00 0.00 54.13 55.61 2pzr s LEU 560 Cb -0.24 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2pzr s LEU 560 CO 0.62 -0.54 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.66 2pzr s TYR 561 N 2.89 2.82 -0.46 5.38 2.02 -0.46 -4.36 117.35 125.19 2pzr s TYR 561 Ca 0.36 -1.22 -0.08 0.00 -0.37 0.00 0.00 57.07 55.76 2pzr s TYR 561 Cb -0.15 -1.95 0.11 0.00 -0.40 0.00 0.00 41.96 39.57 2pzr s TYR 561 CO 0.07 -0.60 0.32 0.08 -1.57 0.00 0.00 175.55 173.85 2pzr s VAL 562 N 1.13 4.08 -0.24 0.71 1.01 -0.19 -1.01 120.40 125.88 2pzr s VAL 562 Ca 0.01 -1.79 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 2pzr s VAL 562 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2pzr s VAL 562 CO -0.05 -0.74 0.94 -0.63 0.00 0.00 0.00 175.10 174.62 2pzr s ILE 563 N 1.34 4.75 0.19 2.22 1.01 0.11 -1.77 121.20 129.05 2pzr s ILE 563 Ca 0.06 1.80 0.08 0.00 0.00 0.00 0.00 60.65 62.59 2pzr s ILE 563 Cb -0.25 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2pzr s ILE 563 CO -0.01 -0.14 -0.15 0.68 0.00 0.00 0.00 174.94 175.32 2pzr s VAL 564 N 3.04 1.70 0.53 2.92 -7.23 0.08 -0.10 120.40 121.36 2pzr s VAL 564 Ca 0.40 -2.14 -0.20 0.00 -1.81 0.00 0.00 61.98 58.22 2pzr s VAL 564 Cb -0.15 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 34.73 2pzr s VAL 564 CO 0.07 -0.56 0.89 -0.62 -0.31 0.00 0.00 175.10 174.57 2pzr n GLU 565 N -0.24 0.97 -3.56 4.82 1.02 -0.96 -1.09 120.64 121.61 2pzr n GLU 565 Ca -0.09 0.37 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 2pzr n GLU 565 Cb 0.60 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 2pzr n GLU 565 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2pzr s TYR 566 N -1.48 3.37 -0.44 -0.32 5.04 -1.26 -4.41 117.35 117.85 2pzr s TYR 566 Ca 0.70 0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.61 2pzr s TYR 566 Cb -0.47 -2.36 0.05 0.00 0.35 0.00 0.00 41.96 39.54 2pzr s TYR 566 CO 0.52 0.09 0.35 0.00 -1.34 0.00 0.00 175.55 175.16 2pzr s ALA 567 N 0.99 3.50 0.10 3.97 0.00 -1.26 -4.86 121.76 124.21 2pzr s ALA 567 Ca 0.13 -1.97 -0.24 0.00 0.00 0.00 0.00 51.96 49.88 2pzr s ALA 567 Cb -0.14 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 2pzr s ALA 567 CO 0.05 -1.62 1.70 0.66 0.00 0.00 0.00 175.76 176.55 2pzr h SER 568 N 8.68 -0.25 0.14 0.00 4.64 -1.83 -3.12 113.55 121.80 2pzr h SER 568 Ca -0.27 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2pzr h SER 568 Cb 1.11 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2pzr h SER 568 CO 0.81 -0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.92 2pzr n LYS 569 N -5.21 0.01 0.00 4.77 4.76 -0.70 -4.97 118.16 116.81 2pzr n LYS 569 Ca -0.07 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2pzr n LYS 569 Cb 0.14 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.06 -1.77 3.89 0.72 0.00 -1.18 -4.73 105.19 101.06 2pzr n GLY 570 Ca 0.01 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 6.53 0.22 1.61 2.20 -1.26 -0.46 114.94 119.78 2pzr s ASN 571 Ca 0.00 0.83 -0.08 0.00 -0.94 0.00 0.00 52.86 52.67 2pzr s ASN 571 Cb 0.00 -2.19 0.34 0.00 -2.00 0.00 0.00 41.25 37.40 2pzr s ASN 571 CO 0.00 -0.14 1.74 0.25 -2.94 0.00 0.00 177.10 176.01 2pzr h LEU 572 N 2.08 0.26 -0.65 3.54 5.85 0.14 0.13 115.31 126.65 2pzr h LEU 572 Ca -0.47 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2pzr h LEU 572 Cb 1.18 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2pzr h LEU 572 CO 0.68 0.13 0.39 -0.09 -0.34 0.00 0.00 178.44 179.21 2pzr h ARG 573 N 0.43 0.72 -0.09 1.25 2.43 -1.78 0.43 114.38 117.78 2pzr h ARG 573 Ca 0.34 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2pzr h ARG 573 Cb 0.45 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2pzr h ARG 573 CO -0.34 0.48 -0.10 0.93 -1.51 0.00 0.00 179.97 179.43 2pzr h GLU 574 N 0.74 0.23 -0.50 0.20 3.07 -1.80 -2.48 114.58 114.04 2pzr h GLU 574 Ca 0.27 -0.12 0.10 0.00 -0.50 0.00 0.00 59.36 59.11 2pzr h GLU 574 Cb 0.08 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 2pzr h GLU 574 CO -0.13 0.67 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.21 2pzr h TYR 575 N -0.20 -0.07 0.36 4.33 3.20 -0.68 -0.77 116.97 123.14 2pzr h TYR 575 Ca 0.01 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2pzr h TYR 575 Cb 0.63 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2pzr h TYR 575 CO 0.09 -0.13 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.24 2pzr h LEU 576 N 0.10 -0.40 -2.01 2.82 3.38 -0.92 -2.56 115.31 115.71 2pzr h LEU 576 Ca 0.25 -0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.26 2pzr h LEU 576 Cb 0.38 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2pzr h LEU 576 CO -0.43 -0.11 0.42 0.03 0.09 0.00 0.00 178.44 178.44 2pzr h ARG 577 N -0.71 0.00 0.85 1.13 3.08 -0.95 -2.39 114.38 115.39 2pzr h ARG 577 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2pzr h ARG 577 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2pzr h ARG 577 CO 0.08 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.50 2pzr h ALA 578 N 1.66 -1.26 -0.53 0.04 0.00 -0.72 -3.10 119.26 115.34 2pzr h ALA 578 Ca 0.26 -0.26 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 2pzr h ALA 578 Cb 1.10 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 19.29 2pzr h ALA 578 CO -0.00 -1.22 0.42 2.89 0.00 0.00 0.00 179.25 181.34 2pzr n ARG 579 N -5.63 2.20 -2.87 0.00 0.00 -0.90 -4.54 116.66 104.92 2pzr n ARG 579 Ca -0.15 -2.11 -0.41 0.00 -0.00 0.00 0.00 57.85 55.18 2pzr n ARG 579 Cb 0.50 -1.96 -0.04 0.00 -0.00 0.00 0.00 32.46 30.97 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 -1.84 4.40 -0.13 2.89 0.52 -1.17 -3.55 118.95 120.06 2pzr s ARG 580 Ca 0.49 1.10 -0.42 0.00 -0.52 0.00 0.00 55.73 56.39 2pzr s ARG 580 Cb 0.34 -3.51 -0.20 0.00 0.52 0.00 0.00 34.95 32.10 2pzr s ARG 580 CO -0.14 -0.17 1.23 -2.30 0.02 0.00 0.00 175.30 173.94 2pzr n PRO 581 N 4.56 0.06 -0.58 3.54 -0.02 -1.26 -4.97 135.00 136.33 2pzr n PRO 581 Ca 0.04 0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2pzr n PRO 581 Cb 0.50 -1.53 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 2.23 0.00 0.00 0.52 -0.02 -1.26 -5.17 135.00 131.30 2pzr n PRO 582 Ca 0.23 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 2pzr n PRO 582 Cb 0.05 -0.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.93 2pzr n PRO 582 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2pzr n GLU 595 N 2.62 2.95 -2.70 -0.52 0.00 -1.26 -5.29 120.64 116.43 2pzr n GLU 595 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 57.16 56.38 2pzr n GLU 595 Cb 0.29 -0.96 -0.03 0.00 0.00 0.00 0.00 31.44 30.73 2pzr n GLU 595 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2pzr s GLU 596 N -1.34 3.35 0.17 5.31 0.41 -1.26 -4.79 118.70 120.56 2pzr s GLU 596 Ca 0.05 -0.90 -0.13 0.00 -0.41 0.00 0.00 54.97 53.58 2pzr s GLU 596 Cb 0.06 -4.64 -0.09 0.00 -1.78 0.00 0.00 34.13 27.69 2pzr s GLU 596 CO 0.23 -2.01 0.13 1.04 -0.49 0.00 0.00 175.26 174.16 2pzr n GLN 597 N 8.30 0.00 -3.14 1.61 1.13 -1.26 -4.87 117.38 119.16 2pzr n GLN 597 Ca 0.13 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.82 2pzr n GLN 597 Cb 0.49 -0.53 -0.06 0.00 0.11 0.00 0.00 30.24 30.24 2pzr n GLN 597 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2pzr s MET 598 N -0.53 4.27 0.64 -1.09 -1.94 -1.23 -5.08 119.30 114.33 2pzr s MET 598 Ca 0.32 0.85 0.05 0.00 -1.71 0.00 0.00 55.69 55.21 2pzr s MET 598 Cb -0.40 -3.01 0.11 0.00 2.01 0.00 0.00 34.83 33.54 2pzr s MET 598 CO 0.32 0.48 0.88 0.95 -0.01 0.00 0.00 175.02 177.64 2pzr s THR 599 N -1.38 2.12 0.02 2.05 -4.23 -1.26 -4.98 115.64 107.97 2pzr s THR 599 Ca 0.39 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 59.80 2pzr s THR 599 Cb -0.18 -2.29 -0.16 0.00 1.34 0.00 0.00 72.50 71.21 2pzr s THR 599 CO 0.21 0.00 1.20 0.15 -0.54 0.00 0.00 174.62 175.64 2pzr h PHE 600 N -0.13 -0.67 -1.14 3.99 3.57 -1.98 -2.81 116.94 117.77 2pzr h PHE 600 Ca -0.32 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.48 2pzr h PHE 600 Cb 1.28 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 40.16 2pzr h PHE 600 CO 0.15 -0.34 0.76 -0.22 -2.23 0.00 0.00 178.31 176.43 2pzr h LYS 601 N -1.02 0.22 0.50 1.11 3.64 -1.95 0.86 116.57 119.92 2pzr h LYS 601 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2pzr h LYS 601 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2pzr h LYS 601 CO 0.12 0.14 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.77 2pzr h ASP 602 N 0.22 -0.57 -0.50 4.20 3.32 -1.91 0.14 116.42 121.34 2pzr h ASP 602 Ca 0.62 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.72 2pzr h ASP 602 Cb 1.92 0.15 -0.08 0.00 0.22 0.00 0.00 39.33 41.54 2pzr h ASP 602 CO -0.22 -0.31 0.06 -0.07 -1.72 0.00 0.00 179.24 176.98 2pzr h LEU 603 N -0.80 -0.09 -0.26 1.55 3.38 -0.63 0.57 115.31 119.03 2pzr h LEU 603 Ca -0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pzr h LEU 603 Cb 0.57 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2pzr h LEU 603 CO 0.11 -0.02 0.16 0.58 0.09 0.00 0.00 178.44 179.37 2pzr h VAL 604 N 0.18 1.08 0.10 1.22 2.07 -1.14 0.24 116.25 120.00 2pzr h VAL 604 Ca 0.25 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2pzr h VAL 604 Cb 0.36 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2pzr h VAL 604 CO -0.37 0.08 -0.19 -1.28 0.02 0.00 0.00 177.57 175.84 2pzr h SER 605 N 0.33 -0.52 -0.76 0.57 0.87 0.56 0.74 113.55 115.35 2pzr h SER 605 Ca 0.09 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 60.84 2pzr h SER 605 Cb -0.01 0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 2pzr h SER 605 CO -0.02 -0.26 0.34 0.00 -0.53 0.00 0.00 176.83 176.36 2pzr h THR 607 N 0.52 1.25 -0.27 0.00 2.02 0.52 -2.61 112.91 114.33 2pzr h THR 607 Ca 0.40 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2pzr h THR 607 Cb 0.56 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 2pzr h THR 607 CO -0.36 0.23 0.05 0.22 0.37 0.00 0.00 175.52 176.04 2pzr h TYR 608 N -0.05 0.09 0.13 3.16 3.20 0.16 -1.44 116.97 122.22 2pzr h TYR 608 Ca 0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2pzr h TYR 608 Cb 0.36 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 2pzr h TYR 608 CO 0.03 0.02 -0.50 1.96 -1.64 0.00 0.00 178.16 178.04 2pzr h GLN 609 N 0.16 -0.71 -0.72 1.82 4.20 -0.16 -1.54 115.11 118.16 2pzr h GLN 609 Ca 0.13 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.01 2pzr h GLN 609 Cb 0.13 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2pzr h GLN 609 CO -0.16 -0.47 0.48 -0.07 -0.67 0.00 0.00 178.83 177.93 2pzr h LEU 610 N -0.74 0.41 -0.55 1.46 3.38 -1.26 -0.49 115.31 117.52 2pzr h LEU 610 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2pzr h LEU 610 Cb 0.75 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2pzr h LEU 610 CO -0.27 0.23 0.13 0.00 0.09 0.00 0.00 178.44 178.61 2pzr h ALA 611 N 1.65 0.73 -0.59 1.53 0.00 -0.32 -0.35 119.26 121.91 2pzr h ALA 611 Ca 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pzr h ALA 611 Cb 0.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2pzr h ALA 611 CO -0.11 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.61 2pzr h ARG 612 N 0.79 1.02 -0.50 0.00 3.08 -0.30 0.92 114.38 119.39 2pzr h ARG 612 Ca 0.17 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.95 2pzr h ARG 612 Cb 0.35 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2pzr h ARG 612 CO 0.00 0.99 0.28 0.78 -1.07 0.00 0.00 179.97 180.95 2pzr h GLY 613 N 0.91 0.70 1.50 0.04 0.00 -0.84 -0.80 103.07 104.58 2pzr h GLY 613 Ca 0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2pzr h GLY 613 CO 0.02 0.17 -0.43 -0.33 0.00 0.00 0.00 176.54 175.98 2pzr h MET 614 N 0.56 0.55 -0.67 4.80 2.86 -0.81 -2.06 114.93 120.17 2pzr h MET 614 Ca 0.20 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2pzr h MET 614 Cb 0.05 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2pzr h MET 614 CO -0.10 0.88 0.37 1.49 1.06 0.00 0.00 176.91 180.60 2pzr h GLU 615 N 0.45 0.93 0.21 1.72 4.81 -0.41 0.17 114.58 122.46 2pzr h GLU 615 Ca 0.03 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2pzr h GLU 615 Cb 0.93 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2pzr h GLU 615 CO 0.08 0.69 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.03 2pzr h TYR 616 N 0.92 -0.28 -0.45 0.92 -0.00 -0.97 -0.89 116.97 116.22 2pzr h TYR 616 Ca 0.24 -0.01 0.07 0.00 -0.00 0.00 0.00 58.73 59.03 2pzr h TYR 616 Cb 0.03 0.10 -0.06 0.00 -0.00 0.00 0.00 36.73 36.79 2pzr h TYR 616 CO -0.01 -0.18 0.09 -0.07 -0.00 0.00 0.00 178.16 177.99 2pzr h LEU 617 N -0.30 0.00 -1.05 2.82 4.07 -0.97 -0.68 115.31 119.20 2pzr h LEU 617 Ca -0.02 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.08 2pzr h LEU 617 Cb 0.24 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.02 2pzr h LEU 617 CO 0.04 0.03 0.63 0.00 -1.08 0.00 0.00 178.44 178.06 2pzr h ALA 618 N 1.35 1.45 0.00 1.53 0.00 -0.40 0.19 119.26 123.37 2pzr h ALA 618 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2pzr h ALA 618 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pzr h ALA 618 CO -0.29 0.40 -0.14 0.66 0.00 0.00 0.00 179.25 179.87 2pzr h SER 619 N 1.12 0.00 -0.23 0.00 4.64 0.29 -1.03 113.55 118.34 2pzr h SER 619 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2pzr h SER 619 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2pzr h SER 619 CO -0.17 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2pzr n GLN 620 N -3.42 1.55 -3.71 4.77 1.13 0.03 -4.89 117.38 112.85 2pzr n GLN 620 Ca -0.01 -0.83 -0.22 0.00 -1.94 0.00 0.00 57.00 54.01 2pzr n GLN 620 Cb 0.32 -1.19 0.03 0.00 0.11 0.00 0.00 30.24 29.52 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 0.17 -5.08 -4.44 -1.09 5.02 -0.39 -4.95 118.16 107.40 2pzr n LYS 621 Ca 0.08 0.63 -0.23 0.00 -2.02 0.00 0.00 58.31 56.76 2pzr n LYS 621 Cb 0.20 -5.24 -0.17 0.00 -0.02 0.00 0.00 35.03 29.81 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 0.78 4.29 0.08 0.00 -4.36 0.20 -4.09 121.20 118.10 2pzr s ILE 623 Ca -0.13 -0.20 -0.16 0.00 -0.26 0.00 0.00 60.65 59.90 2pzr s ILE 623 Cb -0.15 -2.95 -0.09 0.00 1.25 0.00 0.00 42.46 40.51 2pzr s ILE 623 CO 0.02 0.41 1.42 -0.74 0.24 0.00 0.00 174.94 176.30 2pzr h HIS 624 N 7.44 0.70 0.00 1.37 -0.00 -1.89 -0.92 115.15 121.85 2pzr h HIS 624 Ca -0.36 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 2pzr h HIS 624 Cb 1.18 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2pzr h HIS 624 CO 0.60 0.89 0.00 0.54 -0.00 0.00 0.00 177.93 179.96 2pzr n ARG 625 N -4.38 0.00 -2.88 5.26 1.74 -1.26 -3.16 116.66 111.97 2pzr n ARG 625 Ca -0.04 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.90 2pzr n ARG 625 Cb 0.41 -3.31 0.00 0.00 -1.02 0.00 0.00 32.46 28.54 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 0.00 1.45 -4.73 0.55 4.64 -1.26 -4.80 116.55 112.40 2pzr n ASP 626 Ca 0.00 -2.92 -0.40 0.00 -1.38 0.00 0.00 54.79 50.09 2pzr n ASP 626 Cb 0.00 -0.57 -0.04 0.00 -1.04 0.00 0.00 41.12 39.47 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 -2.87 4.39 0.00 -2.67 2.96 -1.26 -4.85 118.68 114.38 2pzr s LEU 627 Ca 0.34 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2pzr s LEU 627 Cb 0.40 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.83 2pzr s LEU 627 CO -0.03 -0.09 0.00 0.00 -1.32 0.00 0.00 176.35 174.92 2pzr n ALA 628 N 3.34 0.00 -0.24 5.97 0.00 -1.26 -4.85 120.51 123.47 2pzr n ALA 628 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2pzr n ALA 628 Cb 0.51 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.04 2pzr n ALA 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pzr h ALA 629 N 0.00 0.47 -0.74 0.00 0.00 -1.93 0.86 119.26 117.92 2pzr h ALA 629 Ca 0.00 0.27 0.22 0.00 0.00 0.00 0.00 54.91 55.39 2pzr h ALA 629 Cb 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2pzr h ALA 629 CO 0.00 -0.42 0.56 0.07 0.00 0.00 0.00 179.25 179.46 2pzr h ARG 630 N 0.00 0.00 -0.56 0.00 0.11 -1.94 -0.35 114.38 111.65 2pzr h ARG 630 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 2pzr h ARG 630 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2pzr h ARG 630 CO -0.71 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.45 2pzr n ASN 631 N -4.23 3.07 -4.55 0.08 5.03 0.29 -4.72 115.26 110.24 2pzr n ASN 631 Ca 0.15 -2.10 -0.34 0.00 0.87 0.00 0.00 54.58 53.16 2pzr n ASN 631 Cb 0.83 -0.40 -0.11 0.00 -1.02 0.00 0.00 39.78 39.08 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 -1.44 3.96 0.08 2.41 1.01 -0.15 -1.13 120.40 125.14 2pzr s VAL 632 Ca 0.36 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2pzr s VAL 632 Cb 0.20 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2pzr s VAL 632 CO 0.22 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 175.06 2pzr s LEU 633 N -0.09 3.31 -0.20 3.92 1.43 -0.01 0.15 118.68 127.20 2pzr s LEU 633 Ca 0.02 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2pzr s LEU 633 Cb -0.13 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2pzr s LEU 633 CO 0.02 0.19 -0.16 0.54 0.23 0.00 0.00 176.35 177.18 2pzr s VAL 634 N -1.24 2.36 1.37 -1.59 0.11 0.39 -0.78 120.40 121.02 2pzr s VAL 634 Ca 0.23 -0.92 -0.22 0.00 -2.93 0.00 0.00 61.98 58.14 2pzr s VAL 634 Cb -0.11 -2.05 0.35 0.00 -1.53 0.00 0.00 36.38 33.03 2pzr s VAL 634 CO 0.15 0.45 0.99 0.42 -3.33 0.00 0.00 175.10 173.79 2pzr s THR 635 N 1.31 1.29 0.32 5.04 -4.23 -0.77 -1.72 115.64 116.88 2pzr s THR 635 Ca 0.04 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2pzr s THR 635 Cb -0.14 -2.21 0.18 0.00 1.34 0.00 0.00 72.50 71.67 2pzr s THR 635 CO -0.10 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 175.78 2pzr h GLU 636 N -3.20 0.72 -0.98 3.99 4.57 -1.91 -1.97 114.58 115.79 2pzr h GLU 636 Ca -0.43 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 57.56 2pzr h GLU 636 Cb 1.32 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2pzr h GLU 636 CO 0.28 0.63 0.09 0.09 -1.18 0.00 0.00 179.01 178.93 2pzr n ASN 637 N -4.31 2.85 -3.39 1.04 3.02 -1.26 -4.83 115.26 108.38 2pzr n ASN 637 Ca 0.03 -2.26 -0.24 0.00 -0.03 0.00 0.00 54.58 52.08 2pzr n ASN 637 Cb 0.19 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 2pzr n ASN 637 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pzr n ASN 638 N 0.19 -4.35 -4.87 6.41 3.02 -0.74 -4.95 115.26 109.97 2pzr n ASN 638 Ca 0.09 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 2pzr n ASN 638 Cb 0.65 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 36.21 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 -3.04 5.09 -0.21 2.41 1.01 -1.26 -4.86 120.40 119.55 2pzr s VAL 639 Ca 0.43 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 2pzr s VAL 639 Cb -0.22 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2pzr s VAL 639 CO 0.53 0.26 0.66 -0.04 0.00 0.00 0.00 175.10 176.50 2pzr s MET 640 N -1.99 4.20 -0.16 2.72 1.00 -1.26 -1.85 119.30 121.96 2pzr s MET 640 Ca 0.34 0.66 0.00 0.00 0.00 0.00 0.00 55.69 56.70 2pzr s MET 640 Cb -0.14 -3.59 0.03 0.00 0.00 0.00 0.00 34.83 31.13 2pzr s MET 640 CO 0.19 -0.29 -0.12 1.03 0.00 0.00 0.00 175.02 175.82 2pzr s ARG 641 N 2.09 2.12 0.04 2.03 1.81 0.04 -4.13 118.95 122.95 2pzr s ARG 641 Ca 0.29 -0.64 -0.31 0.00 -1.72 0.00 0.00 55.73 53.36 2pzr s ARG 641 Cb -0.16 -2.18 -0.06 0.00 -0.45 0.00 0.00 34.95 32.10 2pzr s ARG 641 CO 0.10 -0.32 1.33 0.42 -0.68 0.00 0.00 175.30 176.16 2pzr s ILE 642 N 1.48 3.73 0.18 1.52 1.01 -0.07 -0.83 121.20 128.21 2pzr s ILE 642 Ca 0.03 1.18 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2pzr s ILE 642 Cb -0.14 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 2pzr s ILE 642 CO -0.10 0.05 0.02 0.00 0.00 0.00 0.00 174.94 174.91 2pzr n ALA 643 N 4.63 0.19 -2.78 9.38 0.00 -0.28 -1.78 120.51 129.87 2pzr n ALA 643 Ca 0.11 -0.84 -0.07 0.00 0.00 0.00 0.00 53.44 52.64 2pzr n ALA 643 Cb 0.44 0.50 0.01 0.00 0.00 0.00 0.00 19.45 20.40 2pzr n ALA 643 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pzr n ASP 644 N -1.43 -7.68 -1.88 0.00 10.43 -1.26 -4.80 116.55 109.94 2pzr n ASP 644 Ca -0.06 0.54 0.04 0.00 2.57 0.00 0.00 54.79 57.88 2pzr n ASP 644 Cb 0.24 -5.19 0.38 0.00 1.84 0.00 0.00 41.12 38.39 2pzr n ASP 644 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2pzr n PHE 645 N -0.28 2.12 0.21 1.24 3.01 -1.26 -4.56 117.46 117.94 2pzr n PHE 645 Ca 0.11 -0.84 0.17 0.00 1.01 0.00 0.00 57.45 57.90 2pzr n PHE 645 Cb 0.43 -0.54 0.83 0.00 -0.01 0.00 0.00 39.48 40.18 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 3.64 0.00 -0.47 1.37 0.00 -1.91 -2.55 103.07 103.14 2pzr h GLY 646 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2pzr h GLY 646 CO 0.53 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.11 2pzr n LEU 647 N -3.83 1.85 -4.77 3.11 4.77 -1.26 -4.72 117.00 112.15 2pzr n LEU 647 Ca 0.01 -1.44 -0.39 0.00 -0.03 0.00 0.00 56.01 54.17 2pzr n LEU 647 Cb 0.30 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 2pzr n LEU 647 CO 0.28 0.43 0.77 0.00 -1.33 0.00 0.00 177.39 177.54 2pzr s ALA 648 N -0.67 3.26 0.15 -1.18 0.00 -0.96 -4.65 121.76 117.72 2pzr s ALA 648 Ca 0.08 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2pzr s ALA 648 Cb 0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2pzr s ALA 648 CO 0.07 -0.19 -0.01 1.03 0.00 0.00 0.00 175.76 176.66 2pzr s ARG 649 N -1.91 1.02 0.28 0.00 1.81 -0.35 -4.96 118.95 114.85 2pzr s ARG 649 Ca 0.50 -1.48 -0.28 0.00 -1.72 0.00 0.00 55.73 52.75 2pzr s ARG 649 Cb -0.28 -0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 33.94 2pzr s ARG 649 CO 0.35 -0.12 0.97 0.34 -0.68 0.00 0.00 175.30 176.16 2pzr s ASP 650 N -3.13 7.44 0.45 0.23 -1.08 -1.26 -0.63 116.67 118.69 2pzr s ASP 650 Ca 0.21 1.96 0.30 0.00 -0.52 0.00 0.00 52.55 54.50 2pzr s ASP 650 Cb 0.06 -2.60 1.41 0.00 -1.46 0.00 0.00 42.92 40.33 2pzr s ASP 650 CO 0.02 0.01 1.65 -0.29 0.52 0.00 0.00 175.17 177.07 2pzr h ILE 651 N 2.91 0.18 0.00 4.11 6.09 -1.79 0.20 117.51 129.21 2pzr h ILE 651 Ca -0.46 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 2pzr h ILE 651 Cb 1.20 0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.55 2pzr h ILE 651 CO 0.66 0.02 -0.39 0.78 -3.07 0.00 0.00 178.15 176.16 2pzr h ASN 652 N 0.11 0.00 -1.36 2.19 2.35 -1.91 -3.39 115.58 113.59 2pzr h ASN 652 Ca 0.79 -0.08 -0.75 0.00 -0.55 0.00 0.00 56.30 55.70 2pzr h ASN 652 Cb 2.50 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.73 2pzr h ASN 652 CO -0.35 0.04 2.17 -3.20 -1.65 0.00 0.00 177.43 174.44 2pzr n ASN 653 N -2.40 7.35 -3.98 5.81 5.15 0.69 -4.89 115.26 122.99 2pzr n ASN 653 Ca 0.04 -3.19 -0.16 0.00 -0.60 0.00 0.00 54.58 50.66 2pzr n ASN 653 Cb 0.47 -1.36 -0.14 0.00 -0.53 0.00 0.00 39.78 38.21 2pzr n ASN 653 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pzr s ILE 654 N -1.18 0.50 -1.25 -1.44 -1.09 -1.26 -4.63 121.20 110.84 2pzr s ILE 654 Ca 0.49 -0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.47 2pzr s ILE 654 Cb 0.16 -0.43 0.15 0.00 -1.58 0.00 0.00 42.46 40.77 2pzr s ILE 654 CO -0.07 0.11 1.64 -0.67 -1.23 0.00 0.00 174.94 174.72 2pzr n ASP 655 N 2.85 5.09 -4.67 3.58 -0.08 -1.26 -4.98 116.55 117.08 2pzr n ASP 655 Ca -0.13 -3.01 -0.57 0.00 -1.51 0.00 0.00 54.79 49.57 2pzr n ASP 655 Cb 0.58 -1.57 -0.07 0.00 2.34 0.00 0.00 41.12 42.40 2pzr n ASP 655 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2pzr n TYR 656 N 5.41 1.79 -0.93 -0.67 4.01 -1.26 -1.88 117.16 123.64 2pzr n TYR 656 Ca 0.40 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.79 2pzr n TYR 656 Cb 0.41 -2.38 0.00 0.00 -0.31 0.00 0.00 39.34 37.06 2pzr n TYR 656 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2pzr n TYR 657 N 4.23 0.00 -3.22 -0.72 0.53 -0.55 -5.01 117.16 112.42 2pzr n TYR 657 Ca 0.24 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.74 2pzr n TYR 657 Cb 0.13 -0.59 -0.06 0.00 -1.03 0.00 0.00 39.34 37.79 2pzr n TYR 657 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2pzr s LYS 658 N -0.52 4.37 0.48 -0.72 2.20 -0.79 -4.96 119.74 119.80 2pzr s LYS 658 Ca 0.00 0.60 0.39 0.00 -0.36 0.00 0.00 55.97 56.60 2pzr s LYS 658 Cb 0.00 -3.45 1.59 0.00 -1.51 0.00 0.00 37.83 34.46 2pzr s LYS 658 CO 0.00 0.11 1.57 0.36 -0.36 0.00 0.00 175.35 177.02 2pzr n LYS 659 N 3.78 -0.02 0.00 4.03 2.85 -1.26 -0.68 118.16 126.86 2pzr n LYS 659 Ca -0.05 1.20 0.14 0.00 -1.05 0.00 0.00 58.31 58.55 2pzr n LYS 659 Cb 0.51 -2.49 0.60 0.00 -0.65 0.00 0.00 35.03 33.01 2pzr n LYS 659 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2pzr n THR 660 N -4.44 0.00 -2.16 0.58 -1.04 -1.26 -4.92 114.28 101.04 2pzr n THR 660 Ca 0.42 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.94 2pzr n THR 660 Cb 1.74 -0.03 -0.03 0.00 -1.82 0.00 0.00 70.33 70.19 2pzr n THR 660 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2pzr s THR 661 N -2.41 3.01 -1.50 12.58 2.01 0.15 -3.46 115.64 126.03 2pzr s THR 661 Ca 0.30 0.87 -0.06 0.00 0.31 0.00 0.00 61.69 63.11 2pzr s THR 661 Cb 0.20 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 69.17 2pzr s THR 661 CO 0.46 0.15 0.76 0.59 -0.69 0.00 0.00 174.62 175.89 2pzr n ASN 662 N 2.24 -6.01 -1.14 3.53 3.02 -1.26 -4.86 115.26 110.79 2pzr n ASN 662 Ca 0.05 -0.38 0.11 0.00 -0.03 0.00 0.00 54.58 54.33 2pzr n ASN 662 Cb 0.42 -4.82 0.27 0.00 -0.61 0.00 0.00 39.78 35.04 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 -1.64 1.80 0.12 7.41 0.00 -1.23 -3.99 105.19 107.67 2pzr n GLY 663 Ca -0.07 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 1.36 1.35 -3.53 1.61 1.74 -1.26 -5.02 116.66 112.91 2pzr n ARG 664 Ca 0.21 -2.04 -0.36 0.00 -0.77 0.00 0.00 57.85 54.88 2pzr n ARG 664 Cb 0.56 -1.21 -0.07 0.00 -1.02 0.00 0.00 32.46 30.72 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 -1.96 4.25 -0.24 0.55 1.43 -1.26 -5.00 118.68 116.45 2pzr s LEU 665 Ca 0.20 0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 53.51 2pzr s LEU 665 Cb 0.17 -2.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 2pzr s LEU 665 CO 0.02 0.11 2.16 -2.65 0.23 0.00 0.00 176.35 176.21 2pzr n PRO 666 N 3.50 1.67 -0.37 1.29 -0.02 -1.26 -4.84 135.00 134.97 2pzr n PRO 666 Ca -0.12 0.49 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2pzr n PRO 666 Cb 0.52 -2.85 0.09 0.00 -0.02 0.00 0.00 33.50 31.24 2pzr n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pzr n VAL 667 N 7.12 -0.47 0.29 -1.45 0.31 -1.26 -1.50 118.33 121.36 2pzr n VAL 667 Ca 0.33 2.29 0.18 0.00 -0.01 0.00 0.00 64.34 67.14 2pzr n VAL 667 Cb 0.34 -3.10 0.96 0.00 -0.91 0.00 0.00 33.84 31.13 2pzr n VAL 667 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2pzr h LYS 668 N 0.00 0.00 -0.01 5.55 1.57 -1.96 -1.25 116.57 120.47 2pzr h LYS 668 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2pzr h LYS 668 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2pzr h LYS 668 CO -1.00 0.00 -0.34 0.91 -0.57 0.00 0.00 179.45 178.45 2pzr n TRP 669 N -3.34 0.00 -2.85 -1.35 8.01 -0.56 -4.99 117.44 112.36 2pzr n TRP 669 Ca -0.01 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 2pzr n TRP 669 Cb 0.24 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.48 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 -1.90 4.70 0.38 -0.99 1.75 -0.47 -3.92 119.30 118.85 2pzr s MET 670 Ca 0.13 1.33 -0.25 0.00 -1.25 0.00 0.00 55.69 55.65 2pzr s MET 670 Cb 0.13 -3.20 -0.09 0.00 2.84 0.00 0.00 34.83 34.51 2pzr s MET 670 CO 0.41 0.51 1.13 0.00 -0.65 0.00 0.00 175.02 176.41 2pzr s ALA 671 N -1.23 3.17 0.13 4.11 0.00 -1.26 -4.94 121.76 121.74 2pzr s ALA 671 Ca 0.40 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 2pzr s ALA 671 Cb -0.24 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2pzr s ALA 671 CO 0.29 -0.39 1.63 -1.35 0.00 0.00 0.00 175.76 175.94 2pzr h PRO 672 N 2.77 -0.32 -1.03 0.00 0.11 -1.96 -2.27 132.00 129.29 2pzr h PRO 672 Ca -0.48 0.02 0.26 0.00 0.11 0.00 0.00 66.00 65.91 2pzr h PRO 672 Cb 1.23 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.31 2pzr h PRO 672 CO 0.63 -0.22 0.66 0.93 -0.21 0.00 0.00 178.00 179.79 2pzr h GLU 673 N -0.34 0.41 -0.01 1.05 3.07 -1.91 0.21 114.58 117.06 2pzr h GLU 673 Ca 0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2pzr h GLU 673 Cb 0.48 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2pzr h GLU 673 CO -0.30 0.27 0.33 0.00 -1.40 0.00 0.00 179.01 177.91 2pzr h ALA 674 N 1.63 1.36 0.00 3.43 0.00 -1.43 0.48 119.26 124.73 2pzr h ALA 674 Ca 0.60 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 2pzr h ALA 674 Cb 1.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2pzr h ALA 674 CO -0.31 -0.34 -0.71 -0.11 0.00 0.00 0.00 179.25 177.78 2pzr n LEU 675 N -2.92 1.10 0.00 0.00 7.94 0.58 -3.79 117.00 119.91 2pzr n LEU 675 Ca -0.02 0.16 0.02 0.00 -1.11 0.00 0.00 56.01 55.06 2pzr n LEU 675 Cb 0.38 -0.39 0.08 0.00 0.53 0.00 0.00 43.42 44.03 2pzr n LEU 675 CO 0.14 -0.34 0.47 0.49 -1.11 0.00 0.00 177.39 177.03 2pzr n PHE 676 N -3.65 0.00 -1.04 1.96 3.72 -0.27 -2.88 117.46 115.30 2pzr n PHE 676 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2pzr n PHE 676 Cb 0.32 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2pzr n PHE 676 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2pzr n ASP 677 N -1.30 0.00 -3.79 4.37 8.00 0.11 -4.98 116.55 118.96 2pzr n ASP 677 Ca 0.01 -0.77 -0.23 0.00 0.71 0.00 0.00 54.79 54.52 2pzr n ASP 677 Cb 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.00 -4.13 -4.17 -1.24 5.12 -0.90 -4.01 116.66 107.33 2pzr n ARG 678 Ca 0.00 0.53 -0.11 0.00 -1.93 0.00 0.00 57.85 56.35 2pzr n ARG 678 Cb 0.19 -4.90 -0.10 0.00 -1.16 0.00 0.00 32.46 26.49 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 -3.77 0.54 -0.16 1.55 -7.23 -1.24 -1.48 120.40 108.61 2pzr s VAL 679 Ca 0.02 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2pzr s VAL 679 Cb -0.01 -1.80 0.07 0.00 0.56 0.00 0.00 36.38 35.20 2pzr s VAL 679 CO 0.84 -0.76 0.36 -0.47 -0.31 0.00 0.00 175.10 174.76 2pzr s TYR 680 N -3.73 -0.59 0.41 2.82 5.04 -1.26 -3.45 117.35 116.58 2pzr s TYR 680 Ca 0.15 1.23 0.05 0.00 -2.44 0.00 0.00 57.07 56.06 2pzr s TYR 680 Cb 0.06 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 2pzr s TYR 680 CO -0.03 -0.38 0.16 0.95 -1.34 0.00 0.00 175.55 174.92 2pzr s THR 681 N 2.00 0.44 0.38 4.34 -4.23 -1.26 -5.00 115.64 112.32 2pzr s THR 681 Ca -0.05 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 2pzr s THR 681 Cb -0.11 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.61 2pzr s THR 681 CO -0.11 0.00 1.97 0.45 -0.54 0.00 0.00 174.62 176.38 2pzr h HIS 682 N 1.81 0.46 0.00 3.99 3.86 -1.99 -0.08 115.15 123.21 2pzr h HIS 682 Ca -0.33 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2pzr h HIS 682 Cb 1.27 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2pzr h HIS 682 CO 1.65 0.40 0.00 1.96 0.86 0.00 0.00 177.93 182.80 2pzr h GLN 683 N 0.46 0.00 0.06 2.45 1.08 -1.92 0.38 115.11 117.62 2pzr h GLN 683 Ca 0.11 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.06 2pzr h GLN 683 Cb 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2pzr h GLN 683 CO -0.01 0.00 -1.20 0.77 -0.95 0.00 0.00 178.83 177.45 2pzr h SER 684 N 0.00 0.19 0.27 1.46 0.02 -1.38 -2.97 113.55 111.14 2pzr h SER 684 Ca 0.00 -0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.56 2pzr h SER 684 Cb 0.21 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2pzr h SER 684 CO 0.00 1.17 -0.67 0.44 -1.14 0.00 0.00 176.83 176.64 2pzr h ASP 685 N 0.03 0.42 -0.51 3.07 3.45 -0.86 -2.57 116.42 119.46 2pzr h ASP 685 Ca -0.10 -0.26 -0.11 0.00 0.43 0.00 0.00 57.03 56.99 2pzr h ASP 685 Cb 1.89 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 40.51 2pzr h ASP 685 CO 0.15 0.97 -0.09 -0.37 -1.57 0.00 0.00 179.24 178.33 2pzr h VAL 686 N 0.26 1.27 0.08 -1.35 -1.51 -1.35 0.38 116.25 114.01 2pzr h VAL 686 Ca -0.02 -1.23 0.02 0.00 -1.23 0.00 0.00 66.70 64.25 2pzr h VAL 686 Cb 1.22 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 31.27 2pzr h VAL 686 CO 0.11 0.43 -0.41 -0.25 -1.23 0.00 0.00 177.57 176.22 2pzr h TRP 687 N 0.88 -1.17 -0.71 5.19 2.91 -1.35 0.13 115.95 121.84 2pzr h TRP 687 Ca 0.14 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.35 2pzr h TRP 687 Cb 0.64 0.50 -0.11 0.00 -0.51 0.00 0.00 29.16 29.68 2pzr h TRP 687 CO 0.04 -0.51 0.15 0.77 -1.03 0.00 0.00 178.44 177.87 2pzr h SER 688 N -0.62 -0.02 -1.00 2.65 0.02 -1.02 0.21 113.55 113.77 2pzr h SER 688 Ca 0.03 0.15 0.15 0.00 -0.84 0.00 0.00 61.79 61.27 2pzr h SER 688 Cb 0.67 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.32 2pzr h SER 688 CO -0.27 -0.04 0.62 0.15 -1.14 0.00 0.00 176.83 176.15 2pzr h PHE 689 N 0.25 1.09 -0.45 3.45 3.57 0.14 0.74 116.94 125.73 2pzr h PHE 689 Ca 0.40 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.94 2pzr h PHE 689 Cb 0.67 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2pzr h PHE 689 CO -0.28 0.36 0.29 0.78 -2.23 0.00 0.00 178.31 177.24 2pzr h GLY 690 N 0.88 0.64 1.40 2.40 0.00 0.20 -0.13 103.07 108.46 2pzr h GLY 690 Ca 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 2pzr h GLY 690 CO -0.30 0.22 0.25 -2.08 0.00 0.00 0.00 176.54 174.63 2pzr h VAL 691 N 0.59 1.19 -0.21 4.60 2.07 -0.58 -1.68 116.25 122.24 2pzr h VAL 691 Ca 0.17 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2pzr h VAL 691 Cb -0.05 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2pzr h VAL 691 CO -0.05 0.22 0.12 0.25 0.02 0.00 0.00 177.57 178.14 2pzr h LEU 692 N 0.78 0.20 -0.67 2.57 5.85 -0.13 -1.87 115.31 122.05 2pzr h LEU 692 Ca 0.19 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2pzr h LEU 692 Cb 0.10 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2pzr h LEU 692 CO -0.02 0.15 0.29 0.24 -0.34 0.00 0.00 178.44 178.76 2pzr h MET 693 N 0.25 0.48 -0.61 1.25 2.86 -0.18 0.14 114.93 119.14 2pzr h MET 693 Ca 0.08 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2pzr h MET 693 Cb -0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2pzr h MET 693 CO -0.03 0.32 0.35 2.35 1.06 0.00 0.00 176.91 180.96 2pzr h TRP 694 N 0.50 0.66 0.26 -0.22 7.01 -0.96 -0.37 115.95 122.82 2pzr h TRP 694 Ca 0.34 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.34 2pzr h TRP 694 Cb 0.40 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2pzr h TRP 694 CO -0.14 0.35 -0.12 0.93 -2.79 0.00 0.00 178.44 176.67 2pzr h GLU 695 N 0.68 -0.33 -0.59 2.65 5.08 -0.26 -2.14 114.58 119.67 2pzr h GLU 695 Ca 0.25 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 2pzr h GLU 695 Cb 0.08 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 2pzr h GLU 695 CO -0.13 -0.20 0.08 0.82 -1.00 0.00 0.00 179.01 178.58 2pzr h ILE 696 N -0.38 0.60 -0.03 3.13 2.04 -0.34 -0.77 117.51 121.76 2pzr h ILE 696 Ca -0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2pzr h ILE 696 Cb 0.29 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2pzr h ILE 696 CO 0.06 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.73 2pzr n PHE 697 N -5.18 0.04 0.09 1.37 3.72 -0.19 -2.40 117.46 114.92 2pzr n PHE 697 Ca 0.08 -0.02 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 2pzr n PHE 697 Cb 0.32 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.53 0.49 -3.68 4.37 -2.24 -0.49 -4.74 114.28 107.46 2pzr n THR 698 Ca 0.17 -0.75 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 2pzr n THR 698 Cb 0.15 0.83 0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.27 -3.19 0.00 3.22 4.77 -0.60 -3.27 117.00 118.20 2pzr n LEU 699 Ca 0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2pzr n LEU 699 Cb 0.27 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 2pzr n LEU 699 CO 0.05 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2pzr n GLY 700 N -1.88 1.21 3.62 -0.72 0.00 -0.41 -2.17 105.19 104.83 2pzr n GLY 700 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.64 -0.34 -0.02 0.00 -1.20 -4.90 107.32 100.50 2pzr s GLY 701 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.94 2pzr s GLY 701 CO 0.00 0.86 0.23 -0.56 0.00 0.00 0.00 173.10 173.62 2pzr s SER 702 N -2.65 5.98 0.47 1.64 0.01 -1.26 -4.78 113.70 113.11 2pzr s SER 702 Ca 0.67 -0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 2pzr s SER 702 Cb -0.23 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 2pzr s SER 702 CO 0.60 -0.23 0.94 -0.81 0.41 0.00 0.00 173.24 174.14 2pzr n PRO 703 N 5.09 1.15 -3.95 12.44 -0.04 -1.26 -3.12 135.00 145.31 2pzr n PRO 703 Ca -0.13 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.45 2pzr n PRO 703 Cb 0.50 -2.02 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 2pzr n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pzr n TYR 704 N -0.89 -1.63 -1.62 0.54 4.01 -1.26 -4.82 117.16 111.49 2pzr n TYR 704 Ca 0.11 0.56 -0.49 0.00 -0.16 0.00 0.00 57.90 57.92 2pzr n TYR 704 Cb 0.42 -3.42 -0.05 0.00 -0.31 0.00 0.00 39.34 35.97 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 -4.46 1.55 -0.46 -0.72 -0.04 -1.18 -1.63 135.00 128.05 2pzr n PRO 705 Ca -0.23 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2pzr n PRO 705 Cb 0.65 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.81 1.89 3.35 0.55 0.00 -1.26 -5.00 105.19 107.52 2pzr n GLY 706 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.40 4.06 0.42 -0.61 1.01 -0.65 -5.08 121.20 116.96 2pzr s ILE 707 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 2pzr s ILE 707 Cb 0.00 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.25 2pzr s ILE 707 CO 0.00 0.02 1.29 -2.16 0.00 0.00 0.00 174.94 174.09 2pzr s PRO 708 N 1.50 3.90 0.57 2.79 0.04 -1.26 -4.87 135.00 137.66 2pzr s PRO 708 Ca 0.02 2.13 0.28 0.00 0.04 0.00 0.00 61.00 63.47 2pzr s PRO 708 Cb -0.18 -2.69 1.48 0.00 0.04 0.00 0.00 34.50 33.15 2pzr s PRO 708 CO 0.03 -0.54 1.95 -0.39 0.04 0.00 0.00 177.00 178.09 2pzr h VAL 709 N 2.35 0.51 -0.11 -0.36 -1.51 -1.98 -0.33 116.25 114.83 2pzr h VAL 709 Ca -0.50 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 2pzr h VAL 709 Cb 1.25 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 2pzr h VAL 709 CO 0.62 0.00 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.60 2pzr h GLU 710 N 0.00 0.15 -0.15 5.19 3.07 -2.04 -2.75 114.58 118.05 2pzr h GLU 710 Ca 0.24 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 2pzr h GLU 710 Cb 1.10 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.96 2pzr h GLU 710 CO -0.00 0.20 -0.12 -0.85 -1.40 0.00 0.00 179.01 176.83 2pzr n GLU 711 N -4.41 1.87 -0.00 2.33 0.28 -0.15 -4.77 120.64 115.79 2pzr n GLU 711 Ca -0.01 -2.95 -0.00 0.00 -0.16 0.00 0.00 57.16 54.03 2pzr n GLU 711 Cb 0.17 -1.69 -0.00 0.00 1.43 0.00 0.00 31.44 31.35 2pzr n GLU 711 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2pzr h LEU 712 N 0.88 -0.02 -1.47 -1.84 5.85 -1.26 -3.33 115.31 114.14 2pzr h LEU 712 Ca 0.06 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.06 2pzr h LEU 712 Cb 1.27 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 2pzr h LEU 712 CO 0.15 0.08 1.01 -0.26 -0.34 0.00 0.00 178.44 179.08 2pzr h PHE 713 N -0.19 0.00 -0.05 1.25 -1.00 -1.86 0.99 116.94 116.08 2pzr h PHE 713 Ca -0.00 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.54 2pzr h PHE 713 Cb 0.01 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 2pzr h PHE 713 CO 0.01 0.00 -0.93 -0.22 -1.61 0.00 0.00 178.31 175.56 2pzr h LYS 714 N 0.00 0.65 -0.23 1.51 3.64 -1.90 -1.60 116.57 118.65 2pzr h LYS 714 Ca 0.47 -0.64 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 2pzr h LYS 714 Cb 2.49 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 34.47 2pzr h LYS 714 CO -0.00 1.24 -0.01 -0.07 -2.27 0.00 0.00 179.45 178.33 2pzr h LEU 715 N 0.39 0.41 -0.15 5.20 3.38 0.83 -1.04 115.31 124.32 2pzr h LEU 715 Ca -0.09 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.61 2pzr h LEU 715 Cb 1.57 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.15 2pzr h LEU 715 CO 0.18 0.63 -0.29 -0.07 0.09 0.00 0.00 178.44 178.98 2pzr h LEU 716 N 0.17 -0.90 -1.57 1.67 4.07 -1.07 0.92 115.31 118.61 2pzr h LEU 716 Ca 0.06 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.25 2pzr h LEU 716 Cb 0.43 0.39 -0.04 0.00 1.08 0.00 0.00 40.66 42.52 2pzr h LEU 716 CO 0.01 -0.33 0.41 0.50 -1.08 0.00 0.00 178.44 177.95 2pzr h LYS 717 N -0.35 0.49 -0.02 1.13 3.64 -1.14 0.18 116.57 120.51 2pzr h LYS 717 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2pzr h LYS 717 Cb 0.51 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2pzr h LYS 717 CO -0.35 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 2pzr n GLU 718 N -4.48 1.16 0.00 1.90 1.02 -0.07 -4.89 120.64 115.28 2pzr n GLU 718 Ca 0.10 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2pzr n GLU 718 Cb 0.31 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2pzr n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pzr n GLY 719 N 0.95 0.75 3.77 0.62 0.00 0.64 -5.05 105.19 106.88 2pzr n GLY 719 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2pzr n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pzr s HIS 720 N -2.00 2.72 -0.14 1.61 5.04 0.12 -4.97 115.29 117.67 2pzr s HIS 720 Ca 0.00 1.30 -0.16 0.00 -1.54 0.00 0.00 55.06 54.66 2pzr s HIS 720 Cb 0.00 -3.85 0.04 0.00 0.04 0.00 0.00 32.58 28.81 2pzr s HIS 720 CO 0.00 -2.52 0.43 1.03 -2.34 0.00 0.00 174.74 171.34 2pzr s ARG 721 N -2.13 0.55 0.92 2.88 1.81 -1.26 -4.53 118.95 117.19 2pzr s ARG 721 Ca 0.54 0.49 -0.12 0.00 -1.72 0.00 0.00 55.73 54.92 2pzr s ARG 721 Cb -0.43 0.26 0.09 0.00 -0.45 0.00 0.00 34.95 34.43 2pzr s ARG 721 CO 0.56 -0.09 0.84 -1.33 -0.68 0.00 0.00 175.30 174.61 2pzr n MET 722 N 2.56 -0.32 -2.60 3.54 2.81 -1.26 -5.00 117.12 116.85 2pzr n MET 722 Ca -0.15 -0.04 -0.27 0.00 -1.81 0.00 0.00 57.70 55.44 2pzr n MET 722 Cb 0.57 -2.16 0.01 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.31 5.98 0.08 7.83 -0.00 -1.26 -4.99 116.67 121.99 2pzr s ASP 723 Ca 0.63 0.78 -0.31 0.00 -0.00 0.00 0.00 52.55 53.66 2pzr s ASP 723 Cb -0.23 -1.98 -0.10 0.00 -0.00 0.00 0.00 42.92 40.61 2pzr s ASP 723 CO 0.61 -0.76 1.87 -0.75 -0.00 0.00 0.00 175.17 176.15 2pzr s LYS 724 N -4.81 4.14 0.35 8.23 2.20 -1.26 -4.92 119.74 123.68 2pzr s LYS 724 Ca 0.50 2.58 -0.27 0.00 -0.36 0.00 0.00 55.97 58.42 2pzr s LYS 724 Cb -0.10 -3.84 -0.09 0.00 -1.51 0.00 0.00 37.83 32.29 2pzr s LYS 724 CO 0.44 -0.89 1.21 -2.14 -0.36 0.00 0.00 175.35 173.61 2pzr s PRO 725 N 3.48 4.28 0.73 4.03 0.02 -1.26 -4.97 135.00 141.30 2pzr s PRO 725 Ca 0.84 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 2pzr s PRO 725 Cb -0.44 -2.92 0.04 0.00 0.02 0.00 0.00 34.50 31.20 2pzr s PRO 725 CO 0.38 -0.17 1.20 0.00 -0.33 0.00 0.00 177.00 178.08 2pzr s ALA 726 N -1.26 2.11 -0.75 -1.55 0.00 -1.26 -2.76 121.76 116.30 2pzr s ALA 726 Ca 0.52 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 2pzr s ALA 726 Cb -0.34 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.32 2pzr s ALA 726 CO 0.45 -1.88 0.63 0.27 0.00 0.00 0.00 175.76 175.23 2pzr n ASN 727 N -2.77 -4.38 -3.70 0.00 0.23 -1.26 -4.83 115.26 98.55 2pzr n ASN 727 Ca 0.13 -0.29 -0.11 0.00 -0.53 0.00 0.00 54.58 53.79 2pzr n ASN 727 Cb 0.50 -2.97 -0.11 0.00 -2.08 0.00 0.00 39.78 35.12 2pzr n ASN 727 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pzr s THR 729 N 1.35 2.05 0.20 0.00 2.01 -1.26 -4.85 115.64 115.13 2pzr s THR 729 Ca -0.09 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 2pzr s THR 729 Cb -0.08 -3.03 0.13 0.00 0.01 0.00 0.00 72.50 69.53 2pzr s THR 729 CO -0.12 0.01 1.75 0.78 -0.69 0.00 0.00 174.62 176.35 2pzr h ASN 730 N 2.56 0.25 -0.17 3.53 2.35 -1.99 -0.39 115.58 121.73 2pzr h ASN 730 Ca -0.51 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.36 2pzr h ASN 730 Cb 1.26 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.60 2pzr h ASN 730 CO 0.62 0.16 -0.30 -0.08 -1.65 0.00 0.00 177.43 176.18 2pzr h GLU 731 N 0.42 -0.34 -0.80 0.81 4.81 -1.98 0.18 114.58 117.67 2pzr h GLU 731 Ca 0.29 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2pzr h GLU 731 Cb 0.32 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2pzr h GLU 731 CO -0.27 -0.23 0.48 -0.07 -0.73 0.00 0.00 179.01 178.19 2pzr h LEU 732 N -0.36 0.97 -1.31 1.64 3.38 -1.74 -1.33 115.31 116.57 2pzr h LEU 732 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2pzr h LEU 732 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2pzr h LEU 732 CO -0.37 0.75 0.13 0.22 0.09 0.00 0.00 178.44 179.26 2pzr h TYR 733 N 1.10 0.60 0.00 1.13 3.20 -0.36 0.13 116.97 122.78 2pzr h TYR 733 Ca 0.29 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2pzr h TYR 733 Cb -0.04 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2pzr h TYR 733 CO -0.00 0.50 -0.16 0.52 -1.64 0.00 0.00 178.16 177.38 2pzr h MET 734 N 0.59 0.00 0.08 1.82 2.86 0.41 0.51 114.93 121.20 2pzr h MET 734 Ca 0.14 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.51 2pzr h MET 734 Cb 0.18 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.87 2pzr h MET 734 CO -0.01 0.16 -1.09 1.98 1.06 0.00 0.00 176.91 179.02 2pzr h MET 735 N 0.00 0.60 -0.10 1.72 1.85 0.08 -2.02 114.93 117.05 2pzr h MET 735 Ca -0.00 -0.75 0.02 0.00 -0.61 0.00 0.00 59.70 58.36 2pzr h MET 735 Cb 0.47 0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.72 2pzr h MET 735 CO 0.02 1.33 -0.02 0.52 -0.40 0.00 0.00 176.91 178.36 2pzr h MET 736 N 0.21 0.01 -0.50 0.39 2.07 -0.12 -1.18 114.93 115.82 2pzr h MET 736 Ca -0.16 -0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.50 2pzr h MET 736 Cb 1.77 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 31.47 2pzr h MET 736 CO 0.21 0.01 0.33 0.00 1.07 0.00 0.00 176.91 178.53 2pzr h ARG 737 N 0.01 0.57 -0.31 1.72 2.47 -0.95 -1.99 114.38 115.90 2pzr h ARG 737 Ca 0.05 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 2pzr h ARG 737 Cb 0.07 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2pzr h ARG 737 CO -0.10 0.38 -0.39 -0.44 0.56 0.00 0.00 179.97 179.98 2pzr h ASP 738 N 0.59 0.80 0.61 7.04 3.32 -0.57 -2.09 116.42 126.12 2pzr h ASP 738 Ca 0.19 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2pzr h ASP 738 Cb 0.05 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2pzr h ASP 738 CO -0.05 1.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 2pzr n TRP 740 N -2.96 1.90 -1.82 0.00 8.01 -0.80 -3.55 117.44 118.22 2pzr n TRP 740 Ca -0.01 -0.72 -0.41 0.00 -1.31 0.00 0.00 57.50 55.05 2pzr n TRP 740 Cb 0.21 -0.45 -0.01 0.00 -2.01 0.00 0.00 31.31 29.05 2pzr n TRP 740 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2pzr s HIS 741 N -2.62 2.68 0.10 -5.99 3.76 -0.84 -4.89 115.29 107.49 2pzr s HIS 741 Ca 0.53 1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 56.27 2pzr s HIS 741 Cb 0.40 -4.01 -0.12 0.00 1.11 0.00 0.00 32.58 29.95 2pzr s HIS 741 CO 0.17 -3.12 1.73 0.00 -0.85 0.00 0.00 174.74 172.67 2pzr h ALA 742 N 3.68 0.03 -2.20 -1.40 0.00 -1.92 -3.40 119.26 114.06 2pzr h ALA 742 Ca -0.49 0.02 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 2pzr h ALA 742 Cb 1.23 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2pzr h ALA 742 CO 0.69 -0.49 0.82 0.08 0.00 0.00 0.00 179.25 180.35 2pzr s VAL 743 N -6.19 4.33 0.19 0.00 1.01 -1.26 -4.92 120.40 113.57 2pzr s VAL 743 Ca -0.13 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 2pzr s VAL 743 Cb 0.07 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.51 2pzr s VAL 743 CO 0.67 -0.09 1.75 -0.65 0.00 0.00 0.00 175.10 176.78 2pzr h PRO 744 N 7.85 0.39 0.00 2.72 0.11 -1.94 -1.74 132.00 139.40 2pzr h PRO 744 Ca -0.28 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pzr h PRO 744 Cb 1.12 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2pzr h PRO 744 CO 0.94 0.26 -0.00 0.66 -0.21 0.00 0.00 178.00 179.65 2pzr h SER 745 N 0.40 0.00 0.57 -2.05 4.64 -1.95 -1.76 113.55 113.41 2pzr h SER 745 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2pzr h SER 745 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2pzr h SER 745 CO -0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.57 2pzr n GLN 746 N -3.09 0.36 -3.14 4.77 6.02 -0.66 -4.81 117.38 116.82 2pzr n GLN 746 Ca -0.01 -0.11 -0.34 0.00 -0.01 0.00 0.00 57.00 56.53 2pzr n GLN 746 Cb 0.21 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.72 4.09 1.05 -1.09 0.52 -0.66 -4.89 118.95 115.24 2pzr s ARG 747 Ca 0.22 0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 56.03 2pzr s ARG 747 Cb 0.19 -2.63 0.22 0.00 0.52 0.00 0.00 34.95 33.25 2pzr s ARG 747 CO 0.53 0.26 1.07 -1.25 0.02 0.00 0.00 175.30 175.93 2pzr s PRO 748 N -2.55 0.03 0.32 3.54 0.04 -1.26 -5.03 135.00 130.08 2pzr s PRO 748 Ca 0.49 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.45 2pzr s PRO 748 Cb -0.13 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 2pzr s PRO 748 CO 0.19 -3.09 0.41 0.95 0.04 0.00 0.00 177.00 175.50 2pzr s THR 749 N -2.69 4.19 0.39 1.26 -4.23 -1.26 -4.92 115.64 108.39 2pzr s THR 749 Ca 0.67 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.18 2pzr s THR 749 Cb -0.22 -3.45 0.20 0.00 1.34 0.00 0.00 72.50 70.38 2pzr s THR 749 CO 0.61 -0.20 1.97 -0.26 -0.54 0.00 0.00 174.62 176.20 2pzr h PHE 750 N 1.03 0.39 -0.76 3.99 0.04 -1.94 0.67 116.94 120.36 2pzr h PHE 750 Ca -0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2pzr h PHE 750 Cb 1.25 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 2pzr h PHE 750 CO 0.45 0.37 0.49 -0.22 -0.60 0.00 0.00 178.31 178.80 2pzr h LYS 751 N 0.38 1.01 0.15 1.51 3.64 -1.92 0.35 116.57 121.69 2pzr h LYS 751 Ca 0.09 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2pzr h LYS 751 Cb 0.19 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2pzr h LYS 751 CO 0.00 0.68 -0.07 1.96 -2.27 0.00 0.00 179.45 179.75 2pzr h GLN 752 N 1.03 -0.20 -0.88 1.90 4.20 -1.73 -2.58 115.11 116.85 2pzr h GLN 752 Ca 0.28 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.15 2pzr h GLN 752 Cb -0.09 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.64 2pzr h GLN 752 CO -0.06 0.10 0.47 -0.07 -0.67 0.00 0.00 178.83 178.60 2pzr h LEU 753 N -0.50 0.57 0.10 1.46 3.38 -0.51 -0.73 115.31 119.09 2pzr h LEU 753 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pzr h LEU 753 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pzr h LEU 753 CO 0.03 0.23 -0.11 0.58 0.09 0.00 0.00 178.44 179.27 2pzr h VAL 754 N 0.65 0.76 0.14 1.22 2.07 -0.18 -0.75 116.25 120.15 2pzr h VAL 754 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 2pzr h VAL 754 Cb 0.70 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2pzr h VAL 754 CO -0.37 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 176.77 2pzr h GLU 755 N -0.24 -0.27 -0.51 1.57 5.08 -0.86 0.36 114.58 119.73 2pzr h GLU 755 Ca 0.01 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2pzr h GLU 755 Cb 0.23 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2pzr h GLU 755 CO -0.03 -0.18 0.21 -0.44 -1.00 0.00 0.00 179.01 177.57 2pzr h ASP 756 N -0.28 0.25 -0.37 1.42 3.32 -1.13 0.10 116.42 119.75 2pzr h ASP 756 Ca -0.00 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2pzr h ASP 756 Cb 0.26 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2pzr h ASP 756 CO -0.02 0.18 0.08 -0.07 -1.72 0.00 0.00 179.24 177.68 2pzr h LEU 757 N 0.41 0.57 -0.51 1.55 3.38 -0.93 -0.70 115.31 119.08 2pzr h LEU 757 Ca 0.24 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2pzr h LEU 757 Cb 0.22 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2pzr h LEU 757 CO -0.21 0.66 0.14 -0.78 0.09 0.00 0.00 178.44 178.33 2pzr h ASP 758 N 0.44 0.08 0.80 -0.43 3.58 0.46 0.16 116.42 121.52 2pzr h ASP 758 Ca 0.11 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2pzr h ASP 758 Cb 0.33 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2pzr h ASP 758 CO 0.00 0.07 -0.43 -0.09 -2.88 0.00 0.00 179.24 175.91 2pzr h ARG 759 N 0.29 -1.09 -0.87 0.28 2.43 -0.46 -1.95 114.38 113.00 2pzr h ARG 759 Ca 0.25 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.67 2pzr h ARG 759 Cb 0.31 0.25 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 2pzr h ARG 759 CO -0.30 -0.73 0.42 0.82 -1.51 0.00 0.00 179.97 178.67 2pzr h ILE 760 N -1.14 0.63 -0.41 1.20 2.04 -0.94 -1.86 117.51 117.04 2pzr h ILE 760 Ca -0.11 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2pzr h ILE 760 Cb 0.89 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2pzr h ILE 760 CO 0.15 0.10 0.22 0.25 0.00 0.00 0.00 178.15 178.86 2pzr h LEU 761 N 0.53 0.51 -0.62 1.44 5.85 -0.82 -1.12 115.31 121.08 2pzr h LEU 761 Ca 0.50 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 2pzr h LEU 761 Cb 0.81 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2pzr h LEU 761 CO -0.43 0.47 0.34 0.74 -0.34 0.00 0.00 178.44 179.22 2pzr h THR 762 N 0.52 1.20 -0.47 1.05 2.02 -0.57 -2.62 112.91 114.04 2pzr h THR 762 Ca 0.14 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2pzr h THR 762 Cb 0.07 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2pzr h THR 762 CO -0.02 0.22 0.28 0.25 0.37 0.00 0.00 175.52 176.61 2pzr h LEU 763 N 0.85 0.58 -1.99 2.58 6.46 -1.17 -0.56 115.31 122.05 2pzr h LEU 763 Ca 0.22 -0.07 0.17 0.00 -0.12 0.00 0.00 57.88 58.08 2pzr h LEU 763 Cb 0.04 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2pzr h LEU 763 CO -0.04 0.47 0.48 0.74 -0.62 0.00 0.00 178.44 179.47 2pzr h THR 764 N 0.63 0.54 -0.02 1.05 2.02 -0.85 -3.52 112.91 112.77 2pzr h THR 764 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2pzr h THR 764 Cb 0.01 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2pzr h THR 764 CO -0.03 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.27