#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccz h ALA 459 N 0.00 0.53 -0.17 4.61 0.00 -1.94 -3.17 119.26 119.12 3ccz h ALA 459 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3ccz h ALA 459 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ccz h ALA 459 CO 0.00 0.80 -0.28 -0.22 0.00 0.00 0.00 179.25 179.54 3ccz h LYS 460 N 0.24 0.32 -0.09 0.00 3.64 -1.88 -3.09 116.57 115.70 3ccz h LYS 460 Ca -0.05 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 3ccz h LYS 460 Cb 1.40 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3ccz h LYS 460 CO 0.14 0.58 -0.71 0.74 -2.27 0.00 0.00 179.45 177.93 3ccz h PHE 461 N 0.28 0.57 -3.98 1.91 -1.00 -2.01 -3.45 116.94 109.26 3ccz h PHE 461 Ca 0.04 -0.25 -0.49 0.00 2.81 0.00 0.00 57.97 60.08 3ccz h PHE 461 Cb 0.65 -0.09 0.04 0.00 3.61 0.00 0.00 35.95 40.16 3ccz h PHE 461 CO 0.01 1.00 0.45 -0.51 -1.61 0.00 0.00 178.31 177.65 3ccz s LEU 462 N -8.01 4.07 0.85 1.54 1.43 -1.17 -5.05 118.68 112.34 3ccz s LEU 462 Ca -0.06 2.17 -0.10 0.00 -1.03 0.00 0.00 54.13 55.11 3ccz s LEU 462 Cb 0.10 -4.22 0.15 0.00 0.03 0.00 0.00 46.19 42.25 3ccz s LEU 462 CO 0.84 -0.71 1.18 -0.94 0.23 0.00 0.00 176.35 176.94 3ccz s SER 463 N -1.47 3.84 0.15 2.29 1.04 -1.26 -4.98 113.70 113.32 3ccz s SER 463 Ca 0.61 0.21 -0.12 0.00 0.48 0.00 0.00 55.95 57.13 3ccz s SER 463 Cb -0.25 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.40 3ccz s SER 463 CO 0.31 -2.25 1.59 0.44 0.98 0.00 0.00 173.24 174.32 3ccz h ASP 464 N -1.14 0.88 1.10 7.02 5.19 -1.96 -3.07 116.42 124.43 3ccz h ASP 464 Ca -0.43 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 55.65 3ccz h ASP 464 Cb 1.27 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 3ccz h ASP 464 CO 0.45 0.98 -0.06 0.00 -3.12 0.00 0.00 179.24 177.50 3ccz h ALA 465 N 0.92 1.00 0.01 3.45 0.00 -2.00 -3.06 119.26 119.58 3ccz h ALA 465 Ca 0.14 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 3ccz h ALA 465 Cb 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ccz h ALA 465 CO 0.03 0.07 -0.98 1.49 0.00 0.00 0.00 179.25 179.86 3ccz h GLU 466 N 0.00 0.48 0.02 0.00 4.57 -1.92 -3.03 114.58 114.70 3ccz h GLU 466 Ca -0.00 -0.53 -0.24 0.00 -1.18 0.00 0.00 59.36 57.41 3ccz h GLU 466 Cb 0.62 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3ccz h GLU 466 CO 0.01 1.17 -1.00 0.82 -1.18 0.00 0.00 179.01 178.82 3ccz h ILE 467 N 0.27 1.40 -0.44 2.32 1.08 -1.55 -3.07 117.51 117.52 3ccz h ILE 467 Ca -0.09 -2.50 -0.11 0.00 -0.39 0.00 0.00 64.86 61.77 3ccz h ILE 467 Cb 1.62 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 37.85 3ccz h ILE 467 CO 0.18 0.75 -0.14 0.40 -0.69 0.00 0.00 178.15 178.64 3ccz h ILE 468 N 0.23 1.27 0.00 -0.67 2.04 -1.63 -2.99 117.51 115.76 3ccz h ILE 468 Ca -0.10 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3ccz h ILE 468 Cb 1.65 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3ccz h ILE 468 CO 0.18 0.43 -0.05 1.56 0.00 0.00 0.00 178.15 180.26 3ccz h GLN 469 N 0.69 0.00 -0.20 2.37 1.08 -1.61 -3.07 115.11 114.37 3ccz h GLN 469 Ca 0.11 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.14 3ccz h GLN 469 Cb 0.69 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3ccz h GLN 469 CO 0.05 0.05 -0.56 1.25 -0.95 0.00 0.00 178.83 178.67 3ccz h LEU 470 N 0.00 0.70 -0.04 1.46 5.85 -1.42 -3.28 115.31 118.59 3ccz h LEU 470 Ca -0.00 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 3ccz h LEU 470 Cb 0.69 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3ccz h LEU 470 CO 0.01 1.12 -0.32 0.58 -0.34 0.00 0.00 178.44 179.48 3ccz h VAL 471 N 0.48 1.46 0.00 1.05 2.07 -1.54 -3.52 116.25 116.26 3ccz h VAL 471 Ca 0.01 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3ccz h VAL 471 Cb 1.12 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3ccz h VAL 471 CO 0.11 0.51 0.00 0.59 0.02 0.00 0.00 177.57 178.80 3ccz n ASN 472 N -4.44 0.03 0.00 0.57 4.13 -1.16 -5.16 115.26 109.23 3ccz n ASN 472 Ca -0.09 -1.40 0.00 0.00 1.68 0.00 0.00 54.58 54.77 3ccz n ASN 472 Cb 0.52 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3ccz n ASN 472 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ccz n GLU 482 N -0.47 0.00 -0.02 3.52 -0.58 -1.26 -5.07 120.64 116.75 3ccz n GLU 482 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3ccz n GLU 482 Cb 0.01 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.79 3ccz n GLU 482 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3ccz n THR 483 N 0.00 0.23 0.14 2.62 -1.04 -1.26 -4.66 114.28 110.31 3ccz n THR 483 Ca 0.00 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3ccz n THR 483 Cb 0.00 -0.06 0.23 0.00 -1.82 0.00 0.00 70.33 68.67 3ccz n THR 483 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ccz h LEU 484 N 0.00 0.04 -1.06 -4.42 3.38 -2.04 -3.13 115.31 108.07 3ccz h LEU 484 Ca -0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3ccz h LEU 484 Cb 0.89 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3ccz h LEU 484 CO 0.01 0.56 -0.36 0.40 0.09 0.00 0.00 178.44 179.13 3ccz h ILE 485 N 0.03 1.29 0.00 1.22 5.03 -1.96 -3.44 117.51 119.67 3ccz h ILE 485 Ca -0.00 -1.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.36 3ccz h ILE 485 Cb 0.94 1.62 0.00 0.00 -3.03 0.00 0.00 36.82 36.35 3ccz h ILE 485 CO 0.07 0.41 0.00 1.21 -0.68 0.00 0.00 178.15 179.16 3ccz n GLU 486 N -4.07 0.00 -2.51 2.37 4.07 -1.19 -4.80 120.64 114.51 3ccz n GLU 486 Ca -0.01 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.71 3ccz n GLU 486 Cb 0.44 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.78 3ccz n GLU 486 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3ccz s THR 487 N 0.00 3.63 0.00 6.31 -1.32 -1.26 -4.99 115.64 118.01 3ccz s THR 487 Ca 0.00 1.32 -0.19 0.00 -1.21 0.00 0.00 61.69 61.61 3ccz s THR 487 Cb 0.00 -3.72 -0.27 0.00 -1.51 0.00 0.00 72.50 67.01 3ccz s THR 487 CO 0.00 0.08 1.05 0.45 -2.21 0.00 0.00 174.62 173.99 3ccz h HIS 488 N 2.74 0.68 -0.32 9.09 3.86 -1.96 -3.21 115.15 126.03 3ccz h HIS 488 Ca -0.48 -0.41 -0.13 0.00 -1.16 0.00 0.00 60.37 58.18 3ccz h HIS 488 Cb 1.22 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 3ccz h HIS 488 CO 0.58 1.26 -0.33 1.49 0.86 0.00 0.00 177.93 181.79 3ccz h GLU 489 N -0.09 0.71 0.00 2.45 4.81 -1.94 -2.70 114.58 117.83 3ccz h GLU 489 Ca -0.12 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 3ccz h GLU 489 Cb 1.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 3ccz h GLU 489 CO 0.15 0.94 -0.43 -0.09 -0.73 0.00 0.00 179.01 178.85 3ccz h ARG 490 N 0.60 0.00 -0.23 1.92 2.43 -1.98 -2.61 114.38 114.52 3ccz h ARG 490 Ca 0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3ccz h ARG 490 Cb 0.85 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3ccz h ARG 490 CO 0.07 0.43 -0.29 0.78 -1.51 0.00 0.00 179.97 179.45 3ccz h GLY 491 N 1.80 0.49 1.78 2.80 0.00 -1.48 -2.38 103.07 106.07 3ccz h GLY 491 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 3ccz h GLY 491 CO 0.06 0.38 -0.68 -2.08 0.00 0.00 0.00 176.54 174.21 3ccz h VAL 492 N 0.39 1.42 -0.47 4.60 2.07 -1.30 -2.89 116.25 120.06 3ccz h VAL 492 Ca 0.05 -2.16 -0.14 0.00 0.82 0.00 0.00 66.70 65.27 3ccz h VAL 492 Cb 0.71 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3ccz h VAL 492 CO 0.05 0.64 -0.24 -1.28 0.02 0.00 0.00 177.57 176.76 3ccz h SER 493 N 0.15 1.02 -0.07 0.57 0.87 -1.28 -2.39 113.55 112.42 3ccz h SER 493 Ca -0.02 -0.40 -0.16 0.00 -1.23 0.00 0.00 61.79 59.99 3ccz h SER 493 Cb 1.22 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3ccz h SER 493 CO 0.10 1.20 -0.49 0.40 -0.53 0.00 0.00 176.83 177.51 3ccz h ILE 494 N 0.85 1.30 0.00 2.23 2.04 -1.46 -2.78 117.51 119.69 3ccz h ILE 494 Ca 0.10 -1.71 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 3ccz h ILE 494 Cb 0.82 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3ccz h ILE 494 CO 0.07 0.54 -0.39 -0.09 0.00 0.00 0.00 178.15 178.28 3ccz h ARG 495 N 0.50 0.00 -0.14 2.37 2.43 -1.46 -2.41 114.38 115.67 3ccz h ARG 495 Ca 0.02 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 3ccz h ARG 495 Cb 1.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3ccz h ARG 495 CO 0.10 0.39 -0.64 0.00 -1.51 0.00 0.00 179.97 178.31 3ccz h ARG 496 N 0.00 0.50 -0.17 0.20 3.08 -1.27 -2.29 114.38 114.44 3ccz h ARG 496 Ca -0.00 -0.36 -0.20 0.00 0.07 0.00 0.00 59.98 59.49 3ccz h ARG 496 Cb 0.79 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ccz h ARG 496 CO 0.05 0.98 -0.69 1.96 -1.07 0.00 0.00 179.97 181.20 3ccz h GLN 497 N 0.37 0.69 -0.46 0.04 4.20 -1.28 -1.39 115.11 117.28 3ccz h GLN 497 Ca -0.01 -0.52 -0.10 0.00 0.06 0.00 0.00 58.65 58.08 3ccz h GLN 497 Cb 1.20 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 3ccz h GLN 497 CO 0.12 1.14 -0.12 -0.07 -0.67 0.00 0.00 178.83 179.22 3ccz h LEU 498 N 0.49 0.84 -0.94 1.46 3.38 -1.49 -2.99 115.31 116.06 3ccz h LEU 498 Ca -0.03 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 3ccz h LEU 498 Cb 1.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3ccz h LEU 498 CO 0.14 0.97 -0.45 0.25 0.09 0.00 0.00 178.44 179.44 3ccz h LEU 499 N 0.76 0.19 -1.01 1.67 5.85 -1.32 -3.23 115.31 118.21 3ccz h LEU 499 Ca 0.12 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3ccz h LEU 499 Cb 0.63 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3ccz h LEU 499 CO 0.04 0.62 -0.14 0.77 -0.34 0.00 0.00 178.44 179.39 3ccz h SER 500 N 0.15 0.54 1.00 1.25 4.64 -1.10 -2.54 113.55 117.48 3ccz h SER 500 Ca 0.01 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3ccz h SER 500 Cb 0.86 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ccz h SER 500 CO 0.07 0.70 0.00 0.29 -0.87 0.00 0.00 176.83 177.02 3ccz n LYS 501 N -4.18 0.12 0.03 4.77 5.02 -1.22 -2.78 118.16 119.92 3ccz n LYS 501 Ca 0.01 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 3ccz n LYS 501 Cb 0.34 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 3ccz n LYS 501 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ccz n LYS 502 N -1.88 0.27 -3.50 1.97 5.02 -0.96 -4.93 118.16 114.15 3ccz n LYS 502 Ca 0.05 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 3ccz n LYS 502 Cb 0.31 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3ccz n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ccz s LEU 503 N -3.95 4.44 0.43 -0.35 1.43 -1.12 -4.99 118.68 114.58 3ccz s LEU 503 Ca 0.05 0.94 0.11 0.00 -1.03 0.00 0.00 54.13 54.20 3ccz s LEU 503 Cb 0.14 -2.75 0.98 0.00 0.03 0.00 0.00 46.19 44.59 3ccz s LEU 503 CO 0.78 0.27 2.04 0.77 0.23 0.00 0.00 176.35 180.43 3ccz h SER 504 N 4.36 0.37 -3.91 2.29 4.64 -1.92 -3.26 113.55 116.13 3ccz h SER 504 Ca -0.51 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.15 3ccz h SER 504 Cb 1.21 -0.08 -0.39 0.00 -0.31 0.00 0.00 62.40 62.82 3ccz h SER 504 CO 0.63 0.25 -0.65 -1.61 -0.87 0.00 0.00 176.83 174.58 3ccz s GLU 505 N -5.40 1.76 0.62 4.77 2.02 -1.26 -4.98 118.70 116.22 3ccz s GLU 505 Ca -0.08 -2.14 0.34 0.00 0.02 0.00 0.00 54.97 53.11 3ccz s GLU 505 Cb 0.18 -3.32 1.92 0.00 0.10 0.00 0.00 34.13 33.02 3ccz s GLU 505 CO 0.73 -1.02 2.21 -1.35 0.02 0.00 0.00 175.26 175.85 3ccz h PRO 506 N 7.28 0.00 -0.29 0.39 0.11 -1.68 -2.51 132.00 135.30 3ccz h PRO 506 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3ccz h PRO 506 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3ccz h PRO 506 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3ccz n SER 507 N -3.53 0.66 0.08 -2.05 3.41 -1.26 -3.96 113.62 106.97 3ccz n SER 507 Ca -0.01 -2.02 -0.01 0.00 -0.26 0.00 0.00 58.87 56.57 3ccz n SER 507 Cb 0.19 -0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.25 3ccz n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ccz h SER 508 N 0.43 0.29 0.31 4.04 0.02 -1.86 -3.07 113.55 113.72 3ccz h SER 508 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3ccz h SER 508 Cb 0.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ccz h SER 508 CO 0.01 0.56 -0.03 0.18 -1.14 0.00 0.00 176.83 176.41 3ccz n LEU 509 N -4.14 0.20 -0.16 5.07 4.77 -1.25 -4.28 117.00 117.21 3ccz n LEU 509 Ca -0.01 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3ccz n LEU 509 Cb 0.38 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3ccz n LEU 509 CO 0.40 0.04 0.75 -0.61 -1.33 0.00 0.00 177.39 176.64 3ccz h GLN 510 N 0.27 -0.02 -0.15 3.23 4.15 -1.83 -2.49 115.11 118.27 3ccz h GLN 510 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ccz h GLN 510 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3ccz h GLN 510 CO 0.00 -0.01 0.00 0.66 -1.93 0.00 0.00 178.83 177.55 3ccz n TYR 511 N -5.37 0.18 -2.63 3.99 4.02 -1.26 -4.75 117.16 111.33 3ccz n TYR 511 Ca 0.05 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.90 57.42 3ccz n TYR 511 Cb 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 3ccz n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3ccz s LEU 512 N -1.81 3.69 0.73 7.72 2.96 -0.94 -5.03 118.68 126.00 3ccz s LEU 512 Ca 0.33 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 3ccz s LEU 512 Cb 0.21 -3.51 0.03 0.00 0.50 0.00 0.00 46.19 43.42 3ccz s LEU 512 CO 0.31 -1.22 1.07 -2.16 -1.32 0.00 0.00 176.35 173.03 3ccz s PRO 513 N 4.35 2.65 0.00 0.98 0.04 -1.26 -4.91 135.00 136.86 3ccz s PRO 513 Ca 0.47 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3ccz s PRO 513 Cb -0.08 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3ccz s PRO 513 CO 0.31 -1.26 0.00 2.48 0.04 0.00 0.00 177.00 178.57 3ccz n TYR 514 N -3.21 0.00 -1.97 0.56 0.18 -1.26 -2.03 117.16 109.42 3ccz n TYR 514 Ca 0.07 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.49 3ccz n TYR 514 Cb 0.55 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.55 3ccz n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3ccz s ARG 515 N -0.97 2.92 -1.54 -3.48 3.00 -1.26 -3.72 118.95 113.90 3ccz s ARG 515 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 55.73 57.55 3ccz s ARG 515 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 34.95 33.03 3ccz s ARG 515 CO 0.00 -1.25 0.00 -0.25 0.00 0.00 0.00 175.30 173.80 3ccz n ASP 516 N -1.66 -5.21 -4.56 0.23 8.00 -1.26 -5.01 116.55 107.08 3ccz n ASP 516 Ca 0.14 -0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 3ccz n ASP 516 Cb 0.50 -4.28 -0.11 0.00 -0.02 0.00 0.00 41.12 37.20 3ccz n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ccz s TYR 517 N -2.88 2.81 -0.93 1.24 5.04 -1.24 -5.07 117.35 116.31 3ccz s TYR 517 Ca 0.00 -0.09 -0.24 0.00 -2.44 0.00 0.00 57.07 54.30 3ccz s TYR 517 Cb 0.00 -1.58 0.04 0.00 0.35 0.00 0.00 41.96 40.77 3ccz s TYR 517 CO 0.00 0.34 1.45 1.21 -1.34 0.00 0.00 175.55 177.21 3ccz s ASN 518 N -1.40 6.30 0.00 4.32 2.47 -1.26 -4.82 114.94 120.55 3ccz s ASN 518 Ca 0.16 -1.11 0.29 0.00 0.42 0.00 0.00 52.86 52.63 3ccz s ASN 518 Cb -0.11 -2.57 1.29 0.00 -1.45 0.00 0.00 41.25 38.42 3ccz s ASN 518 CO 0.07 -1.69 1.89 -1.22 -3.72 0.00 0.00 177.10 172.42 3ccz n TYR 519 N 9.44 0.00 -0.10 0.43 4.02 -1.26 -4.11 117.16 125.57 3ccz n TYR 519 Ca 0.26 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.11 3ccz n TYR 519 Cb 0.50 -0.09 0.17 0.00 -0.02 0.00 0.00 39.34 39.91 3ccz n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ccz h SER 520 N 0.97 0.74 0.83 7.72 4.64 -1.95 -2.39 113.55 124.12 3ccz h SER 520 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ccz h SER 520 Cb 0.33 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ccz h SER 520 CO 0.00 0.80 -0.40 0.18 -0.87 0.00 0.00 176.83 176.54 3ccz n LEU 521 N -4.23 0.52 -0.03 5.97 4.77 -1.26 -4.19 117.00 118.55 3ccz n LEU 521 Ca 0.03 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 3ccz n LEU 521 Cb 0.29 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3ccz n LEU 521 CO 0.41 0.00 -0.78 0.52 -1.33 0.00 0.00 177.39 176.21 3ccz n VAL 522 N -1.81 1.71 -1.96 4.08 0.31 -1.05 -4.49 118.33 115.12 3ccz n VAL 522 Ca 0.05 -0.51 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 3ccz n VAL 522 Cb 0.38 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 3ccz n VAL 522 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ccz s MET 523 N -2.51 4.20 -0.71 5.55 -1.94 -0.93 -1.81 119.30 121.15 3ccz s MET 523 Ca -0.25 2.28 -0.03 0.00 -1.71 0.00 0.00 55.69 55.99 3ccz s MET 523 Cb 0.07 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.22 3ccz s MET 523 CO 0.72 -0.75 0.35 0.41 -0.01 0.00 0.00 175.02 175.74 3ccz n GLY 524 N 4.01 0.15 2.00 -0.03 0.00 -1.26 -4.83 105.19 105.23 3ccz n GLY 524 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ccz n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz n ALA 525 N -2.87 0.00 0.00 4.61 0.00 -1.06 -5.04 120.51 116.16 3ccz n ALA 525 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ccz n ALA 525 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3ccz n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ccz s GLU 528 N -1.10 1.64 -1.54 0.00 8.01 -1.26 -4.33 118.70 120.13 3ccz s GLU 528 Ca -0.11 -1.84 -0.11 0.00 0.01 0.00 0.00 54.97 52.93 3ccz s GLU 528 Cb -0.01 -1.33 0.08 0.00 -4.31 0.00 0.00 34.13 28.55 3ccz s GLU 528 CO 0.08 0.07 0.75 0.09 0.01 0.00 0.00 175.26 176.27 3ccz n ASN 529 N -0.65 -2.85 -4.70 -0.19 3.02 -1.26 -4.86 115.26 103.76 3ccz n ASN 529 Ca -0.05 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 3ccz n ASN 529 Cb 0.63 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 3ccz n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ccz s VAL 530 N -3.49 3.66 -0.02 2.41 1.01 -1.26 -4.91 120.40 117.79 3ccz s VAL 530 Ca 0.46 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.60 3ccz s VAL 530 Cb -0.24 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ccz s VAL 530 CO 0.87 0.05 1.02 2.30 0.00 0.00 0.00 175.10 179.34 3ccz n ILE 531 N 4.24 1.08 -0.23 2.22 -5.35 -1.26 -4.66 119.36 115.40 3ccz n ILE 531 Ca 0.11 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 3ccz n ILE 531 Cb 0.44 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3ccz n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ccz n GLY 532 N -0.57 0.46 3.16 3.28 0.00 -1.26 -4.81 105.19 105.44 3ccz n GLY 532 Ca 0.02 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.50 3ccz n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ccz s TYR 533 N -3.77 0.39 -0.31 1.61 -0.85 -0.86 -4.97 117.35 108.59 3ccz s TYR 533 Ca 0.00 -0.86 -0.01 0.00 -0.52 0.00 0.00 57.07 55.67 3ccz s TYR 533 Cb 0.00 -0.24 0.06 0.00 0.38 0.00 0.00 41.96 42.16 3ccz s TYR 533 CO 0.00 -0.48 0.02 1.41 -1.52 0.00 0.00 175.55 174.97 3ccz s MET 534 N -3.91 2.33 -0.12 -3.49 -2.45 -1.26 -4.16 119.30 106.24 3ccz s MET 534 Ca 0.08 -1.35 -0.29 0.00 -1.25 0.00 0.00 55.69 52.88 3ccz s MET 534 Cb 0.06 -3.21 -0.02 0.00 1.25 0.00 0.00 34.83 32.91 3ccz s MET 534 CO -0.09 -0.68 1.30 -1.25 1.05 0.00 0.00 175.02 175.35 3ccz s PRO 535 N 1.22 4.25 -0.23 4.11 0.04 -1.26 -5.01 135.00 138.11 3ccz s PRO 535 Ca -0.03 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 3ccz s PRO 535 Cb -0.20 -3.74 -0.01 0.00 0.04 0.00 0.00 34.50 30.59 3ccz s PRO 535 CO -0.02 -0.66 0.00 0.42 0.04 0.00 0.00 177.00 176.78 3ccz s ILE 536 N 3.24 3.73 0.17 0.56 -1.09 -1.26 -5.08 121.20 121.47 3ccz s ILE 536 Ca 0.57 -0.39 -0.33 0.00 -2.23 0.00 0.00 60.65 58.27 3ccz s ILE 536 Cb -0.24 -2.73 -0.15 0.00 -1.58 0.00 0.00 42.46 37.77 3ccz s ILE 536 CO 0.18 0.38 1.36 -2.65 -1.23 0.00 0.00 174.94 172.98 3ccz n PRO 537 N 4.84 1.64 -4.28 2.79 -0.02 -1.26 -4.77 135.00 133.94 3ccz n PRO 537 Ca -0.17 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 3ccz n PRO 537 Cb 0.51 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 3ccz n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ccz s VAL 538 N 0.21 3.15 0.51 -1.45 1.01 -1.26 -1.53 120.40 121.05 3ccz s VAL 538 Ca 0.75 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3ccz s VAL 538 Cb -0.77 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3ccz s VAL 538 CO 0.47 0.48 0.36 -0.83 0.00 0.00 0.00 175.10 175.58 3ccz s GLY 539 N 0.98 2.37 -0.06 4.51 0.00 -0.39 -4.92 107.32 109.81 3ccz s GLY 539 Ca -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.34 3ccz s GLY 539 CO -0.01 -1.92 -0.10 0.54 0.00 0.00 0.00 173.10 171.61 3ccz s VAL 540 N -2.72 0.96 -0.22 1.40 0.11 -1.26 -1.42 120.40 117.25 3ccz s VAL 540 Ca 0.35 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3ccz s VAL 540 Cb -0.01 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3ccz s VAL 540 CO 0.21 0.32 -0.14 0.00 -3.33 0.00 0.00 175.10 172.16 3ccz s ALA 541 N 0.75 2.48 0.00 1.54 0.00 -0.88 -4.94 121.76 120.71 3ccz s ALA 541 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3ccz s ALA 541 Cb -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3ccz s ALA 541 CO 0.02 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3ccz n GLY 542 N 4.57 -1.23 3.76 0.00 0.00 -1.26 -2.31 105.19 108.72 3ccz n GLY 542 Ca -0.18 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 3ccz n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ccz s PRO 543 N -1.28 4.62 -0.44 1.61 0.04 -1.26 -4.92 135.00 133.36 3ccz s PRO 543 Ca 0.00 1.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 3ccz s PRO 543 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3ccz s PRO 543 CO 0.00 0.17 0.60 -1.17 0.04 0.00 0.00 177.00 176.64 3ccz s LEU 544 N -1.30 4.62 -0.55 -3.56 2.96 -0.24 -4.65 118.68 115.95 3ccz s LEU 544 Ca 0.45 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 3ccz s LEU 544 Cb -0.32 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.77 3ccz s LEU 544 CO 0.41 -0.76 1.02 0.00 -1.32 0.00 0.00 176.35 175.70 3ccz s LEU 546 N 4.27 0.12 -1.23 0.00 2.96 -0.73 -1.08 118.68 122.99 3ccz s LEU 546 Ca 0.35 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3ccz s LEU 546 Cb -0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 3ccz s LEU 546 CO 0.22 -0.25 0.81 0.47 -1.32 0.00 0.00 176.35 176.27 3ccz n ASP 547 N 5.30 -2.52 -2.19 3.68 8.00 -0.67 -2.33 116.55 125.82 3ccz n ASP 547 Ca -0.03 -0.78 -0.20 0.00 0.71 0.00 0.00 54.79 54.49 3ccz n ASP 547 Cb 0.50 -4.39 -0.03 0.00 -0.02 0.00 0.00 41.12 37.18 3ccz n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ccz n GLU 548 N -4.09 -1.69 -4.37 -1.24 1.02 -1.26 -4.97 120.64 104.05 3ccz n GLU 548 Ca -0.25 1.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 3ccz n GLU 548 Cb 0.66 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 26.40 3ccz n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ccz s LYS 549 N -4.69 1.54 -0.05 3.49 1.02 -0.99 -5.16 119.74 114.90 3ccz s LYS 549 Ca 0.00 -1.85 0.03 0.00 0.02 0.00 0.00 55.97 54.16 3ccz s LYS 549 Cb 0.00 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 3ccz s LYS 549 CO 0.00 -0.31 -0.13 -1.21 -0.92 0.00 0.00 175.35 172.78 3ccz s GLU 550 N -3.94 1.59 -0.03 1.68 2.02 -1.26 -1.78 118.70 116.98 3ccz s GLU 550 Ca 0.36 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.95 3ccz s GLU 550 Cb 0.07 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 3ccz s GLU 550 CO 0.15 0.11 -0.19 -0.06 0.02 0.00 0.00 175.26 175.28 3ccz s PHE 551 N 0.40 1.79 -0.42 1.61 0.40 -0.86 -4.92 117.98 115.97 3ccz s PHE 551 Ca -0.09 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 3ccz s PHE 551 Cb -0.13 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.29 3ccz s PHE 551 CO 0.03 -0.10 0.29 -0.65 0.70 0.00 0.00 175.22 175.48 3ccz s GLN 552 N -0.23 2.77 -0.32 0.44 -1.52 -1.26 -1.08 119.66 118.46 3ccz s GLN 552 Ca 0.02 -1.33 -0.18 0.00 -1.95 0.00 0.00 55.36 51.91 3ccz s GLN 552 Cb -0.10 -3.87 -0.01 0.00 -0.22 0.00 0.00 33.01 28.81 3ccz s GLN 552 CO 0.01 -0.91 0.53 0.08 -0.25 0.00 0.00 175.29 174.75 3ccz s VAL 553 N 1.52 5.01 0.25 1.09 1.01 -0.98 -4.57 120.40 123.73 3ccz s VAL 553 Ca 0.03 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 3ccz s VAL 553 Cb -0.22 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3ccz s VAL 553 CO 0.05 -0.14 1.02 -2.16 0.00 0.00 0.00 175.10 173.87 3ccz s PRO 554 N 2.42 4.75 -0.18 2.72 0.04 -1.26 -2.07 135.00 141.41 3ccz s PRO 554 Ca 0.20 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 3ccz s PRO 554 Cb -0.15 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.20 3ccz s PRO 554 CO 0.12 0.35 0.08 -1.64 0.04 0.00 0.00 177.00 175.95 3ccz s MET 555 N -1.18 0.22 -0.43 4.56 -1.94 -0.51 -4.33 119.30 115.69 3ccz s MET 555 Ca 0.43 -0.18 -0.22 0.00 -1.71 0.00 0.00 55.69 54.01 3ccz s MET 555 Cb -0.29 -1.90 0.02 0.00 2.01 0.00 0.00 34.83 34.68 3ccz s MET 555 CO 0.36 -0.67 0.73 0.00 -0.01 0.00 0.00 175.02 175.43 3ccz s ALA 556 N 2.06 3.33 0.14 3.03 0.00 -0.35 -1.26 121.76 128.71 3ccz s ALA 556 Ca 0.01 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3ccz s ALA 556 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.60 3ccz s ALA 556 CO -0.09 -1.82 0.44 -0.08 0.00 0.00 0.00 175.76 174.22 3ccz s THR 557 N 3.10 0.05 -0.11 0.00 -1.32 -0.58 -4.32 115.64 112.46 3ccz s THR 557 Ca 0.27 -0.51 0.09 0.00 -1.21 0.00 0.00 61.69 60.33 3ccz s THR 557 Cb -0.13 -1.19 0.16 0.00 -1.51 0.00 0.00 72.50 69.83 3ccz s THR 557 CO 0.21 -0.24 1.10 0.35 -2.21 0.00 0.00 174.62 173.82 3ccz n THR 558 N -0.26 1.43 -3.15 5.08 -2.24 -1.26 -4.19 114.28 109.68 3ccz n THR 558 Ca -0.15 -1.56 -0.40 0.00 -2.27 0.00 0.00 64.05 59.66 3ccz n THR 558 Cb 0.64 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 3ccz n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ccz s GLU 559 N -1.85 4.09 0.32 -0.78 2.12 -1.26 -5.03 118.70 116.31 3ccz s GLU 559 Ca 0.16 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 3ccz s GLU 559 Cb 0.14 -3.65 -0.11 0.00 0.26 0.00 0.00 34.13 30.77 3ccz s GLU 559 CO 0.03 -0.40 1.47 0.20 -0.54 0.00 0.00 175.26 176.03 3ccz s GLY 560 N 1.50 2.63 0.00 -1.50 0.00 -1.26 -2.95 107.32 105.74 3ccz s GLY 560 Ca 0.24 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.44 3ccz s GLY 560 CO 0.09 2.28 0.00 0.00 0.00 0.00 0.00 173.10 175.47 3ccz h LEU 562 N 0.00 0.25 -0.38 0.00 5.85 -1.97 -1.16 115.31 117.91 3ccz h LEU 562 Ca 0.00 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 3ccz h LEU 562 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3ccz h LEU 562 CO 0.00 0.60 -0.06 0.58 -0.34 0.00 0.00 178.44 179.22 3ccz h VAL 563 N -0.09 1.27 -0.40 1.05 2.07 -1.91 -1.77 116.25 116.48 3ccz h VAL 563 Ca 0.03 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 3ccz h VAL 563 Cb 0.50 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3ccz h VAL 563 CO 0.02 0.37 -0.09 0.00 0.02 0.00 0.00 177.57 177.88 3ccz h ALA 564 N 0.85 1.09 -0.20 1.67 0.00 -1.92 -0.57 119.26 120.18 3ccz h ALA 564 Ca 0.10 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3ccz h ALA 564 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ccz h ALA 564 CO 0.03 0.56 -0.56 1.03 0.00 0.00 0.00 179.25 180.32 3ccz h SER 565 N 0.63 0.84 -0.14 0.00 0.87 -1.14 -2.13 113.55 112.48 3ccz h SER 565 Ca 0.11 -0.58 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 3ccz h SER 565 Cb 0.53 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3ccz h SER 565 CO 0.03 1.27 -0.06 0.74 -0.53 0.00 0.00 176.83 178.28 3ccz h THR 566 N 0.45 1.19 -0.25 2.23 2.02 -1.20 -2.35 112.91 115.00 3ccz h THR 566 Ca -0.01 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 3ccz h THR 566 Cb 1.18 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3ccz h THR 566 CO 0.12 0.27 -0.26 -1.13 0.37 0.00 0.00 175.52 174.89 3ccz h ASN 567 N 0.41 0.50 -0.12 4.18 -1.24 -0.94 -2.15 115.58 116.22 3ccz h ASN 567 Ca 0.09 -0.17 -0.13 0.00 0.71 0.00 0.00 56.30 56.79 3ccz h ASN 567 Cb 0.36 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3ccz h ASN 567 CO 0.02 0.75 -0.36 -0.09 -1.29 0.00 0.00 177.43 176.45 3ccz h ARG 568 N 0.43 0.63 -0.23 6.67 2.43 -0.92 -2.30 114.38 121.09 3ccz h ARG 568 Ca 0.06 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.82 3ccz h ARG 568 Cb 0.69 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3ccz h ARG 568 CO 0.05 0.90 -0.29 0.78 -1.51 0.00 0.00 179.97 179.90 3ccz h GLY 569 N 1.01 0.51 1.33 2.80 0.00 -1.21 -2.30 103.07 105.22 3ccz h GLY 569 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3ccz h GLY 569 CO 0.08 0.40 -0.02 0.00 0.00 0.00 0.00 176.54 177.00 3ccz h ARG 571 N 0.75 0.48 -0.36 0.00 2.43 -1.08 -1.23 114.38 115.37 3ccz h ARG 571 Ca 0.14 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3ccz h ARG 571 Cb 0.48 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3ccz h ARG 571 CO 0.02 0.74 -0.37 0.00 -1.51 0.00 0.00 179.97 178.85 3ccz h ALA 572 N 1.25 0.65 -0.29 2.80 0.00 -1.28 -2.49 119.26 119.89 3ccz h ALA 572 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3ccz h ALA 572 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3ccz h ALA 572 CO 0.06 0.67 -0.29 0.82 0.00 0.00 0.00 179.25 180.51 3ccz h ILE 573 N 0.71 1.28 -0.31 0.00 2.04 -1.28 -2.81 117.51 117.13 3ccz h ILE 573 Ca 0.06 -1.39 -0.16 0.00 1.00 0.00 0.00 64.86 64.37 3ccz h ILE 573 Cb 0.95 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3ccz h ILE 573 CO 0.09 0.45 -0.43 1.23 0.00 0.00 0.00 178.15 179.49 3ccz h GLY 574 N 1.01 0.87 2.00 5.37 0.00 -1.11 -1.07 103.07 110.15 3ccz h GLY 574 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3ccz h GLY 574 CO 0.06 0.83 0.00 1.04 0.00 0.00 0.00 176.54 178.47 3ccz n LEU 575 N -4.03 0.76 -1.83 3.11 4.77 -0.95 -3.43 117.00 115.40 3ccz n LEU 575 Ca -0.02 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 3ccz n LEU 575 Cb 0.56 -0.37 0.39 0.00 -2.33 0.00 0.00 43.42 41.67 3ccz n LEU 575 CO 0.48 -0.23 0.85 0.61 -1.33 0.00 0.00 177.39 177.76 3ccz n GLY 576 N 1.11 2.91 0.62 -0.72 0.00 -1.06 -4.87 105.19 103.19 3ccz n GLY 576 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3ccz n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 577 N 0.61 3.25 0.00 -0.02 0.00 -1.21 -4.53 105.19 103.29 3ccz n GLY 577 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3ccz n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 578 N -1.30 1.98 3.92 -0.02 0.00 -0.43 -5.00 105.19 104.35 3ccz n GLY 578 Ca 0.00 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 3ccz n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz s ALA 579 N -2.11 3.84 -0.03 4.61 0.00 -0.24 -4.56 121.76 123.28 3ccz s ALA 579 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3ccz s ALA 579 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3ccz s ALA 579 CO 0.00 0.21 -0.08 -1.12 0.00 0.00 0.00 175.76 174.77 3ccz s SER 580 N -3.95 1.19 0.14 0.00 0.01 -0.62 -1.67 113.70 108.79 3ccz s SER 580 Ca 0.35 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.48 3ccz s SER 580 Cb -0.09 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 3ccz s SER 580 CO 0.28 0.05 -0.14 -0.94 0.41 0.00 0.00 173.24 172.90 3ccz s SER 581 N 0.33 2.05 -0.01 2.44 1.04 -1.26 -1.78 113.70 116.52 3ccz s SER 581 Ca -0.05 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3ccz s SER 581 Cb -0.10 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.96 3ccz s SER 581 CO 0.01 -0.18 0.00 -0.13 0.98 0.00 0.00 173.24 173.92 3ccz s ARG 582 N -2.97 0.05 -0.28 4.02 1.81 -0.69 -5.00 118.95 115.89 3ccz s ARG 582 Ca 0.12 0.04 -0.24 0.00 -1.72 0.00 0.00 55.73 53.93 3ccz s ARG 582 Cb -0.03 -0.15 -0.00 0.00 -0.45 0.00 0.00 34.95 34.32 3ccz s ARG 582 CO 0.03 -0.05 0.81 0.08 -0.68 0.00 0.00 175.30 175.50 3ccz s VAL 583 N 0.38 4.80 -0.04 3.52 1.01 -1.26 -2.09 120.40 126.72 3ccz s VAL 583 Ca -0.03 1.36 0.12 0.00 0.00 0.00 0.00 61.98 63.43 3ccz s VAL 583 Cb -0.05 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.96 3ccz s VAL 583 CO -0.01 -0.18 0.68 -0.07 0.00 0.00 0.00 175.10 175.51 3ccz h LEU 584 N 9.37 0.01 -7.31 3.92 3.38 -1.16 -3.49 115.31 120.03 3ccz h LEU 584 Ca -0.24 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3ccz h LEU 584 Cb 1.09 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 3ccz h LEU 584 CO 0.88 1.03 0.08 0.00 0.09 0.00 0.00 178.44 180.52 3ccz s ALA 585 N -2.60 -1.23 -0.20 1.53 0.00 -1.19 -4.97 121.76 113.10 3ccz s ALA 585 Ca -0.05 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 3ccz s ALA 585 Cb 0.08 0.82 0.09 0.00 0.00 0.00 0.00 23.12 24.11 3ccz s ALA 585 CO 0.82 -0.75 0.44 0.34 0.00 0.00 0.00 175.76 176.62 3ccz s ASP 586 N -2.80 -0.37 0.00 0.00 2.15 -1.25 -1.76 116.67 112.64 3ccz s ASP 586 Ca 0.04 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.06 3ccz s ASP 586 Cb -0.00 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 43.98 3ccz s ASP 586 CO -0.10 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3ccz n GLY 587 N 5.24 0.23 3.77 2.66 0.00 -0.78 -4.36 105.19 111.96 3ccz n GLY 587 Ca -0.11 0.68 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 3ccz n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ccz s MET 588 N 0.00 3.37 0.16 1.61 1.75 -0.78 -1.79 119.30 123.62 3ccz s MET 588 Ca 0.00 1.62 0.07 0.00 -1.25 0.00 0.00 55.69 56.13 3ccz s MET 588 Cb 0.00 -2.02 -0.04 0.00 2.84 0.00 0.00 34.83 35.61 3ccz s MET 588 CO 0.00 -0.83 -0.16 0.95 -0.65 0.00 0.00 175.02 174.33 3ccz s THR 589 N -1.76 1.60 -0.01 10.11 -4.23 -1.26 -2.12 115.64 117.97 3ccz s THR 589 Ca 0.72 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3ccz s THR 589 Cb -0.24 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 3ccz s THR 589 CO 0.27 -0.42 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.27 3ccz s ARG 590 N -2.94 0.60 -0.56 3.99 6.06 -0.85 -4.90 118.95 120.34 3ccz s ARG 590 Ca 0.14 -0.23 0.07 0.00 -2.50 0.00 0.00 55.73 53.21 3ccz s ARG 590 Cb -0.04 -0.58 0.25 0.00 0.06 0.00 0.00 34.95 34.63 3ccz s ARG 590 CO 0.05 0.12 0.67 0.41 -2.50 0.00 0.00 175.30 174.05 3ccz n GLY 591 N 3.05 4.17 3.69 8.12 0.00 -1.26 -1.30 105.19 121.67 3ccz n GLY 591 Ca -0.15 -2.39 -0.32 0.00 0.00 0.00 0.00 46.02 43.17 3ccz n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ccz s PRO 592 N -2.03 1.34 -0.16 1.61 0.04 -1.14 -0.93 135.00 133.73 3ccz s PRO 592 Ca 0.38 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 3ccz s PRO 592 Cb 0.15 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 3ccz s PRO 592 CO -0.05 -2.39 -0.12 0.54 0.04 0.00 0.00 177.00 175.02 3ccz s VAL 593 N -2.58 2.99 0.39 -0.36 0.11 -0.76 -2.22 120.40 117.97 3ccz s VAL 593 Ca 0.67 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 3ccz s VAL 593 Cb -0.23 -2.28 -0.05 0.00 -1.53 0.00 0.00 36.38 32.28 3ccz s VAL 593 CO 0.56 0.50 0.13 0.68 -3.33 0.00 0.00 175.10 173.64 3ccz s VAL 594 N 0.73 2.41 -0.07 2.04 -7.23 -0.59 -2.30 120.40 115.39 3ccz s VAL 594 Ca -0.05 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3ccz s VAL 594 Cb -0.15 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.87 3ccz s VAL 594 CO 0.02 -0.06 0.13 -0.13 -0.31 0.00 0.00 175.10 174.75 3ccz s ARG 595 N -3.85 0.03 0.32 4.82 0.52 -0.23 -1.53 118.95 119.04 3ccz s ARG 595 Ca 0.39 0.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.12 3ccz s ARG 595 Cb 0.03 -0.27 -0.01 0.00 0.52 0.00 0.00 34.95 35.22 3ccz s ARG 595 CO 0.22 -0.26 0.46 -0.51 0.02 0.00 0.00 175.30 175.23 3ccz s LEU 596 N 1.83 4.00 0.27 2.53 2.01 -0.70 -1.36 118.68 127.27 3ccz s LEU 596 Ca -0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 54.13 53.95 3ccz s LEU 596 Cb -0.12 -2.76 0.46 0.00 0.01 0.00 0.00 46.19 43.79 3ccz s LEU 596 CO -0.05 -0.39 1.87 -0.65 1.01 0.00 0.00 176.35 178.13 3ccz h PRO 597 N 0.93 1.08 -4.74 1.29 0.11 -1.87 -3.45 132.00 125.35 3ccz h PRO 597 Ca -0.46 -0.07 -0.27 0.00 0.11 0.00 0.00 66.00 65.31 3ccz h PRO 597 Cb 1.25 -0.24 -0.15 0.00 0.11 0.00 0.00 31.00 31.97 3ccz h PRO 597 CO 0.54 0.72 -0.67 1.03 -0.21 0.00 0.00 178.00 179.41 3ccz s ARG 598 N -6.01 1.05 0.48 1.05 1.81 -1.26 -4.97 118.95 111.09 3ccz s ARG 598 Ca -0.12 -1.50 0.21 0.00 -1.72 0.00 0.00 55.73 52.60 3ccz s ARG 598 Cb 0.21 -0.20 1.19 0.00 -0.45 0.00 0.00 34.95 35.70 3ccz s ARG 598 CO 0.81 -0.13 2.01 0.00 -0.68 0.00 0.00 175.30 177.32 3ccz h ALA 599 N 2.75 1.46 -0.27 2.13 0.00 -1.87 -2.01 119.26 121.46 3ccz h ALA 599 Ca -0.36 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3ccz h ALA 599 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ccz h ALA 599 CO 0.63 0.21 -0.24 0.00 0.00 0.00 0.00 179.25 179.85 3ccz h ASP 601 N 0.45 0.85 0.30 0.00 3.32 -1.80 -2.51 116.42 117.02 3ccz h ASP 601 Ca 0.07 -0.62 -0.09 0.00 0.02 0.00 0.00 57.03 56.40 3ccz h ASP 601 Cb 0.66 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3ccz h ASP 601 CO 0.05 1.34 -0.38 0.77 -1.72 0.00 0.00 179.24 179.30 3ccz h SER 602 N 0.42 0.11 -0.34 6.45 4.64 -1.35 -2.21 113.55 121.28 3ccz h SER 602 Ca -0.04 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 3ccz h SER 602 Cb 1.31 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3ccz h SER 602 CO 0.14 0.49 -0.11 0.00 -0.87 0.00 0.00 176.83 176.47 3ccz h ALA 603 N 1.52 0.98 -0.57 5.18 0.00 -1.32 -2.26 119.26 122.80 3ccz h ALA 603 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3ccz h ALA 603 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ccz h ALA 603 CO 0.05 0.60 0.09 1.49 0.00 0.00 0.00 179.25 181.49 3ccz h GLU 604 N 0.71 0.92 -0.19 0.00 4.81 -0.95 -2.21 114.58 117.67 3ccz h GLU 604 Ca 0.12 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 3ccz h GLU 604 Cb 0.60 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3ccz h GLU 604 CO 0.04 0.86 -0.55 0.28 -0.73 0.00 0.00 179.01 178.91 3ccz h VAL 605 N 0.87 1.32 -0.25 0.32 2.07 -1.29 -1.87 116.25 117.42 3ccz h VAL 605 Ca 0.18 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ccz h VAL 605 Cb 0.39 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3ccz h VAL 605 CO 0.01 0.56 0.11 0.50 0.02 0.00 0.00 177.57 178.77 3ccz h LYS 606 N 0.44 0.37 -0.14 1.57 3.64 -1.22 -1.62 116.57 119.61 3ccz h LYS 606 Ca 0.01 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3ccz h LYS 606 Cb 1.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3ccz h LYS 606 CO 0.10 0.38 -0.29 0.00 -2.27 0.00 0.00 179.45 177.37 3ccz h ALA 607 N 0.97 1.24 -0.45 5.00 0.00 -1.38 -2.38 119.26 122.27 3ccz h ALA 607 Ca 0.09 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3ccz h ALA 607 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ccz h ALA 607 CO -0.01 0.51 -0.17 2.35 0.00 0.00 0.00 179.25 181.93 3ccz h TRP 608 N 0.24 1.04 0.00 0.00 7.01 -1.12 -2.70 115.95 120.42 3ccz h TRP 608 Ca 0.03 -0.25 -0.03 0.00 2.11 0.00 0.00 58.89 60.76 3ccz h TRP 608 Cb 0.65 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3ccz h TRP 608 CO 0.01 1.04 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.48 3ccz h LEU 609 N 0.75 0.00 0.00 0.65 3.38 -1.09 -3.07 115.31 115.94 3ccz h LEU 609 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ccz h LEU 609 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ccz h LEU 609 CO 0.06 0.14 -0.45 -0.33 0.09 0.00 0.00 178.44 177.95 3ccz h GLU 610 N 0.00 0.00 -7.25 1.13 5.08 -1.12 -3.32 114.58 109.10 3ccz h GLU 610 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3ccz h GLU 610 Cb 0.58 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.93 3ccz h GLU 610 CO 0.02 0.00 0.36 0.95 -1.00 0.00 0.00 179.01 179.34 3ccz s THR 611 N -3.21 3.53 0.19 1.13 -4.23 -1.07 -4.94 115.64 107.04 3ccz s THR 611 Ca 0.06 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 3ccz s THR 611 Cb 0.10 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.82 3ccz s THR 611 CO 0.70 -0.53 1.61 0.77 -0.54 0.00 0.00 174.62 176.63 3ccz h SER 612 N -0.31 0.97 0.29 3.99 4.64 -1.88 -2.54 113.55 118.70 3ccz h SER 612 Ca -0.45 -0.32 -0.18 0.00 -0.47 0.00 0.00 61.79 60.37 3ccz h SER 612 Cb 1.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3ccz h SER 612 CO 0.55 1.10 -0.70 1.05 -0.87 0.00 0.00 176.83 177.95 3ccz h GLU 613 N 0.86 0.37 -0.18 4.77 9.09 -1.93 -2.42 114.58 125.13 3ccz h GLU 613 Ca 0.13 -0.29 -0.14 0.00 0.05 0.00 0.00 59.36 59.11 3ccz h GLU 613 Cb 0.68 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 3ccz h GLU 613 CO 0.05 0.93 -0.43 0.78 0.05 0.00 0.00 179.01 180.39 3ccz h GLY 614 N 1.34 0.67 2.00 1.06 0.00 -1.69 -2.98 103.07 103.48 3ccz h GLY 614 Ca -0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 3ccz h GLY 614 CO 0.12 0.74 -0.28 -2.75 0.00 0.00 0.00 176.54 174.37 3ccz h PHE 615 N 0.29 0.00 -0.39 5.60 3.57 -1.50 -2.93 116.94 121.57 3ccz h PHE 615 Ca -0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 3ccz h PHE 615 Cb 1.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3ccz h PHE 615 CO 0.09 0.28 -0.33 0.00 -2.23 0.00 0.00 178.31 176.12 3ccz h ALA 616 N 1.72 0.67 -0.36 2.41 0.00 -1.35 -0.91 119.26 121.44 3ccz h ALA 616 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 3ccz h ALA 616 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ccz h ALA 616 CO 0.04 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.81 3ccz h VAL 617 N 0.74 1.27 -0.07 0.00 2.07 -1.41 -2.03 116.25 116.82 3ccz h VAL 617 Ca 0.07 -1.60 -0.14 0.00 0.82 0.00 0.00 66.70 65.85 3ccz h VAL 617 Cb 0.90 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3ccz h VAL 617 CO 0.08 0.53 -0.60 0.40 0.02 0.00 0.00 177.57 178.01 3ccz h ILE 618 N 0.75 1.39 -0.02 4.57 1.08 -1.50 -2.95 117.51 120.81 3ccz h ILE 618 Ca 0.05 -1.97 -0.11 0.00 -0.39 0.00 0.00 64.86 62.43 3ccz h ILE 618 Cb 1.03 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 3ccz h ILE 618 CO 0.10 0.58 -0.52 0.50 -0.69 0.00 0.00 178.15 178.12 3ccz h LYS 619 N 0.17 0.06 -0.24 2.37 3.64 -1.07 -2.39 116.57 119.11 3ccz h LYS 619 Ca -0.01 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 3ccz h LYS 619 Cb 1.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3ccz h LYS 619 CO 0.09 0.57 -0.40 1.49 -2.27 0.00 0.00 179.45 178.93 3ccz h GLU 620 N 0.05 0.70 -0.39 1.90 4.81 -1.22 -2.01 114.58 118.41 3ccz h GLU 620 Ca -0.00 -0.43 -0.13 0.00 -0.13 0.00 0.00 59.36 58.67 3ccz h GLU 620 Cb 0.94 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3ccz h GLU 620 CO 0.07 1.05 -0.28 0.00 -0.73 0.00 0.00 179.01 179.12 3ccz h ALA 621 N 0.64 0.77 -0.33 2.92 0.00 -1.50 -2.61 119.26 119.15 3ccz h ALA 621 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3ccz h ALA 621 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ccz h ALA 621 CO 0.09 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.40 3ccz h PHE 622 N 0.71 0.58 0.00 0.00 3.57 -1.42 -3.17 116.94 117.22 3ccz h PHE 622 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ccz h PHE 622 Cb 0.82 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3ccz h PHE 622 CO 0.05 0.61 0.00 -0.44 -2.23 0.00 0.00 178.31 176.30 3ccz h ASP 623 N 0.38 0.00 1.42 0.41 5.19 -1.36 -3.15 116.42 119.32 3ccz h ASP 623 Ca 0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3ccz h ASP 623 Cb 0.34 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3ccz h ASP 623 CO 0.01 0.00 -0.01 0.77 -3.12 0.00 0.00 179.24 176.89 3ccz h SER 624 N 0.00 0.00 0.77 6.45 4.64 -1.43 -3.27 113.55 120.72 3ccz h SER 624 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3ccz h SER 624 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 3ccz h SER 624 CO 0.00 0.01 -0.62 0.71 -0.87 0.00 0.00 176.83 176.06 3ccz h THR 625 N 0.00 1.33 -3.43 2.95 1.35 -1.66 -3.47 112.91 109.99 3ccz h THR 625 Ca -0.00 -2.19 -0.07 0.00 -0.55 0.00 0.00 66.41 63.60 3ccz h THR 625 Cb 0.72 2.22 -0.14 0.00 -1.73 0.00 0.00 68.15 69.21 3ccz h THR 625 CO 0.00 0.60 -0.18 -0.55 -0.25 0.00 0.00 175.52 175.14 3ccz s SER 626 N -6.71 -0.13 0.21 5.36 0.15 -1.23 -5.01 113.70 106.34 3ccz s SER 626 Ca -0.00 -0.33 -0.08 0.00 0.70 0.00 0.00 55.95 56.23 3ccz s SER 626 Cb 0.12 0.41 0.16 0.00 -1.71 0.00 0.00 66.02 64.99 3ccz s SER 626 CO 0.75 -0.75 1.79 -0.09 1.20 0.00 0.00 173.24 176.14 3ccz h ARG 627 N 2.71 1.17 -0.01 5.44 2.43 -1.91 -3.09 114.38 121.12 3ccz h ARG 627 Ca -0.33 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3ccz h ARG 627 Cb 1.22 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3ccz h ARG 627 CO 0.48 0.92 -0.22 1.19 -1.51 0.00 0.00 179.97 180.84 3ccz n PHE 628 N -4.32 0.00 -2.19 2.20 3.01 -1.26 -4.85 117.46 110.05 3ccz n PHE 628 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.12 3ccz n PHE 628 Cb 0.16 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 3ccz n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ccz s ALA 629 N -2.35 2.70 -0.28 4.37 0.00 -1.17 -4.34 121.76 120.70 3ccz s ALA 629 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3ccz s ALA 629 Cb 0.19 -4.10 0.09 0.00 0.00 0.00 0.00 23.12 19.30 3ccz s ALA 629 CO 0.47 -3.00 0.07 0.50 0.00 0.00 0.00 175.76 173.80 3ccz s ARG 630 N 5.83 0.75 0.15 0.00 3.00 -1.26 -4.33 118.95 123.09 3ccz s ARG 630 Ca 0.65 -0.92 -0.30 0.00 -1.00 0.00 0.00 55.73 54.15 3ccz s ARG 630 Cb -0.15 -2.04 -0.07 0.00 0.00 0.00 0.00 34.95 32.69 3ccz s ARG 630 CO 0.27 -0.89 1.21 -1.17 0.00 0.00 0.00 175.30 174.73 3ccz s LEU 631 N 1.66 4.42 0.00 -0.88 2.96 -1.26 -4.13 118.68 121.45 3ccz s LEU 631 Ca 0.06 2.18 0.06 0.00 -0.22 0.00 0.00 54.13 56.21 3ccz s LEU 631 Cb -0.17 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.02 3ccz s LEU 631 CO -0.21 -0.42 0.75 0.00 -1.32 0.00 0.00 176.35 175.16 3ccz n GLN 632 N 3.00 0.45 -1.68 1.98 6.02 -0.42 -5.02 117.38 121.72 3ccz n GLN 632 Ca 0.06 -2.63 -0.45 0.00 -0.01 0.00 0.00 57.00 53.97 3ccz n GLN 632 Cb 0.45 -0.32 -0.04 0.00 1.02 0.00 0.00 30.24 31.35 3ccz n GLN 632 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3ccz n LYS 633 N -2.26 2.27 -2.53 -1.09 4.81 -1.26 -4.72 118.16 113.38 3ccz n LYS 633 Ca 0.14 0.82 -0.36 0.00 -0.87 0.00 0.00 58.31 58.04 3ccz n LYS 633 Cb 0.52 -2.61 -0.04 0.00 0.02 0.00 0.00 35.03 32.92 3ccz n LYS 633 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ccz s LEU 634 N 1.17 4.08 -0.20 3.14 1.43 -1.26 -4.79 118.68 122.25 3ccz s LEU 634 Ca 0.79 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 3ccz s LEU 634 Cb -0.65 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.33 3ccz s LEU 634 CO 0.38 -0.57 -0.14 -2.28 0.23 0.00 0.00 176.35 173.97 3ccz s HIS 635 N -1.71 2.87 0.18 0.29 5.65 -1.19 -5.00 115.29 116.38 3ccz s HIS 635 Ca 0.60 -1.42 0.10 0.00 0.25 0.00 0.00 55.06 54.58 3ccz s HIS 635 Cb -0.21 -1.99 -0.04 0.00 -1.18 0.00 0.00 32.58 29.15 3ccz s HIS 635 CO 0.27 -0.72 -0.16 0.95 -0.65 0.00 0.00 174.74 174.42 3ccz s THR 636 N 1.35 2.80 -0.12 0.89 -4.23 -1.26 -1.05 115.64 114.02 3ccz s THR 636 Ca 0.05 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3ccz s THR 636 Cb -0.14 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.39 3ccz s THR 636 CO -0.09 -0.10 0.27 -0.44 -0.54 0.00 0.00 174.62 173.72 3ccz s SER 637 N -2.71 -0.11 0.13 3.99 0.01 -0.65 -5.00 113.70 109.37 3ccz s SER 637 Ca 0.23 0.58 -0.10 0.00 1.31 0.00 0.00 55.95 57.96 3ccz s SER 637 Cb -0.09 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.61 3ccz s SER 637 CO 0.12 -0.19 0.47 -0.63 0.41 0.00 0.00 173.24 173.42 3ccz s ILE 638 N 1.61 5.01 -0.39 1.44 1.01 -1.26 -1.15 121.20 127.47 3ccz s ILE 638 Ca -0.06 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3ccz s ILE 638 Cb -0.11 -3.66 0.16 0.00 0.01 0.00 0.00 42.46 38.86 3ccz s ILE 638 CO -0.09 0.17 0.30 0.00 0.00 0.00 0.00 174.94 175.32 3ccz s ALA 639 N -1.53 1.25 0.00 9.38 0.00 -0.84 -4.99 121.76 125.04 3ccz s ALA 639 Ca 0.38 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 50.08 3ccz s ALA 639 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3ccz s ALA 639 CO 0.20 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.35 3ccz n GLY 640 N 3.25 2.24 0.09 0.00 0.00 -1.26 -2.17 105.19 107.34 3ccz n GLY 640 Ca 0.24 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3ccz n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ccz n ARG 641 N 12.86 0.71 -2.78 1.61 1.85 -1.26 -4.31 116.66 125.34 3ccz n ARG 641 Ca 0.00 -0.18 -0.35 0.00 -1.00 0.00 0.00 57.85 56.32 3ccz n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 3ccz n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3ccz s ASN 642 N -2.41 7.07 -0.08 2.89 0.01 -0.92 -1.72 114.94 119.77 3ccz s ASN 642 Ca 0.32 1.78 -0.01 0.00 -0.71 0.00 0.00 52.86 54.24 3ccz s ASN 642 Cb 0.20 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.33 3ccz s ASN 642 CO 0.45 -0.27 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.54 3ccz s LEU 643 N -2.71 0.75 -0.28 0.60 2.96 -0.58 -1.98 118.68 117.44 3ccz s LEU 643 Ca 0.57 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 54.25 3ccz s LEU 643 Cb -0.14 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 3ccz s LEU 643 CO 0.18 -0.17 0.17 -0.31 -1.32 0.00 0.00 176.35 174.91 3ccz s TYR 644 N 1.84 3.20 -0.18 5.38 1.51 -0.30 -1.54 117.35 127.26 3ccz s TYR 644 Ca 0.04 0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3ccz s TYR 644 Cb -0.12 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.36 3ccz s TYR 644 CO -0.05 -0.20 -0.10 0.42 -1.11 0.00 0.00 175.55 174.50 3ccz s ILE 645 N 1.73 3.03 -0.61 2.71 1.01 -0.94 -1.63 121.20 126.51 3ccz s ILE 645 Ca 0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 3ccz s ILE 645 Cb -0.16 -2.32 0.15 0.00 0.01 0.00 0.00 42.46 40.14 3ccz s ILE 645 CO 0.10 0.48 0.53 -0.60 0.00 0.00 0.00 174.94 175.45 3ccz s ARG 646 N 1.01 2.99 0.26 2.79 3.52 -0.22 -2.98 118.95 126.33 3ccz s ARG 646 Ca -0.01 -1.99 -0.30 0.00 -0.13 0.00 0.00 55.73 53.30 3ccz s ARG 646 Cb -0.15 -4.20 -0.09 0.00 -1.56 0.00 0.00 34.95 28.95 3ccz s ARG 646 CO -0.01 -1.27 0.99 -0.06 -0.81 0.00 0.00 175.30 174.14 3ccz s PHE 647 N 1.02 3.84 -0.03 5.12 0.40 -0.42 -3.15 117.98 124.75 3ccz s PHE 647 Ca 0.09 1.84 -0.03 0.00 -0.60 0.00 0.00 56.93 58.22 3ccz s PHE 647 Cb -0.23 -3.08 0.01 0.00 0.51 0.00 0.00 43.02 40.23 3ccz s PHE 647 CO -0.02 0.10 0.10 -1.14 0.70 0.00 0.00 175.22 174.96 3ccz s GLN 648 N -1.31 0.13 -0.18 0.44 0.74 -1.26 -2.00 119.66 116.22 3ccz s GLN 648 Ca 0.43 0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.63 3ccz s GLN 648 Cb -0.28 0.06 0.14 0.00 1.10 0.00 0.00 33.01 34.03 3ccz s GLN 648 CO 0.35 -0.02 1.05 0.45 -0.55 0.00 0.00 175.29 176.57 3ccz s SER 649 N -0.04 -0.32 0.86 6.67 0.15 -0.90 -1.30 113.70 118.82 3ccz s SER 649 Ca -0.01 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.88 3ccz s SER 649 Cb -0.01 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.67 3ccz s SER 649 CO 0.00 -0.30 1.10 -0.13 1.20 0.00 0.00 173.24 175.12 3ccz s ARG 650 N -1.10 1.56 -0.19 5.44 0.52 -1.26 -1.86 118.95 122.07 3ccz s ARG 650 Ca -0.00 1.18 0.21 0.00 -0.52 0.00 0.00 55.73 56.61 3ccz s ARG 650 Cb -0.01 -1.82 0.45 0.00 0.52 0.00 0.00 34.95 34.10 3ccz s ARG 650 CO 0.00 -2.13 1.17 -1.13 0.02 0.00 0.00 175.30 173.23 3ccz n SER 651 N -3.86 0.93 0.00 0.23 3.41 -1.26 -4.40 113.62 108.67 3ccz n SER 651 Ca 0.09 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3ccz n SER 651 Cb 0.53 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3ccz n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ccz n GLY 652 N -0.41 3.68 0.12 5.00 0.00 -1.26 -2.01 105.19 110.31 3ccz n GLY 652 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3ccz n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ccz n ASP 653 N 5.40 1.00 -4.78 1.61 8.00 -1.26 -3.92 116.55 122.60 3ccz n ASP 653 Ca 0.00 -0.81 -0.34 0.00 0.71 0.00 0.00 54.79 54.35 3ccz n ASP 653 Cb 0.00 0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 3ccz n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ccz s ALA 654 N -2.83 2.65 0.24 2.24 0.00 -0.85 -1.09 121.76 122.11 3ccz s ALA 654 Ca 0.14 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 3ccz s ALA 654 Cb 0.17 -3.30 0.22 0.00 0.00 0.00 0.00 23.12 20.21 3ccz s ALA 654 CO 0.70 -0.90 1.90 1.98 0.00 0.00 0.00 175.76 179.44 3ccz h MET 655 N 0.68 1.24 0.00 0.00 4.05 -1.75 -3.43 114.93 115.71 3ccz h MET 655 Ca -0.48 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 3ccz h MET 655 Cb 1.24 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 3ccz h MET 655 CO 0.56 0.84 0.00 0.41 0.23 0.00 0.00 176.91 178.96 3ccz n GLY 656 N -1.29 0.81 0.28 1.39 0.00 -1.26 -4.70 105.19 100.41 3ccz n GLY 656 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3ccz n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ccz h MET 657 N 1.30 0.89 -0.24 1.61 2.86 -1.94 -1.39 114.93 118.01 3ccz h MET 657 Ca 0.00 -0.33 -0.18 0.00 -2.06 0.00 0.00 59.70 57.12 3ccz h MET 657 Cb 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 3ccz h MET 657 CO 0.00 0.98 -0.58 -0.91 1.06 0.00 0.00 176.91 177.46 3ccz h ASN 658 N 0.79 0.87 -0.04 1.22 2.35 -1.99 -2.42 115.58 116.36 3ccz h ASN 658 Ca 0.12 -0.48 -0.17 0.00 -0.55 0.00 0.00 56.30 55.22 3ccz h ASN 658 Cb 0.68 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3ccz h ASN 658 CO 0.05 1.26 -0.56 -0.03 -1.65 0.00 0.00 177.43 176.49 3ccz h MET 659 N 0.59 0.63 0.00 0.81 4.05 -1.96 -2.59 114.93 116.46 3ccz h MET 659 Ca 0.00 -0.41 -0.16 0.00 -0.28 0.00 0.00 59.70 58.86 3ccz h MET 659 Cb 1.17 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 3ccz h MET 659 CO 0.12 1.02 -0.74 0.82 0.23 0.00 0.00 176.91 178.36 3ccz h ILE 660 N 0.48 1.39 -0.16 1.77 1.08 -1.32 -2.65 117.51 118.11 3ccz h ILE 660 Ca 0.01 -2.67 -0.15 0.00 -0.39 0.00 0.00 64.86 61.66 3ccz h ILE 660 Cb 1.13 2.50 -0.01 0.00 -3.07 0.00 0.00 36.82 37.36 3ccz h ILE 660 CO 0.11 0.73 -0.54 0.28 -0.69 0.00 0.00 178.15 178.03 3ccz h SER 661 N 0.00 0.52 -0.24 1.72 0.02 -1.38 -0.84 113.55 113.34 3ccz h SER 661 Ca -0.01 -0.27 -0.20 0.00 -0.84 0.00 0.00 61.79 60.47 3ccz h SER 661 Cb 1.44 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3ccz h SER 661 CO 0.10 0.96 -0.61 0.50 -1.14 0.00 0.00 176.83 176.63 3ccz h LYS 662 N 0.36 0.85 -0.16 3.45 3.64 -1.45 -2.20 116.57 121.05 3ccz h LYS 662 Ca 0.01 -0.58 -0.11 0.00 -1.27 0.00 0.00 60.65 58.70 3ccz h LYS 662 Cb 1.07 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ccz h LYS 662 CO 0.10 1.21 -0.37 0.78 -2.27 0.00 0.00 179.45 178.90 3ccz h GLY 663 N 0.66 0.38 1.59 5.01 0.00 -1.44 -2.82 103.07 106.45 3ccz h GLY 663 Ca -0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3ccz h GLY 663 CO 0.13 0.31 -0.54 -0.84 0.00 0.00 0.00 176.54 175.61 3ccz h THR 664 N 0.29 1.34 -0.39 4.70 2.02 -1.10 -1.86 112.91 117.91 3ccz h THR 664 Ca 0.03 -1.81 -0.10 0.00 0.77 0.00 0.00 66.41 65.30 3ccz h THR 664 Cb 0.79 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3ccz h THR 664 CO 0.06 0.55 -0.16 -0.08 0.37 0.00 0.00 175.52 176.26 3ccz h GLU 665 N 0.34 0.79 -0.01 6.66 4.81 -1.28 -1.69 114.58 124.20 3ccz h GLU 665 Ca 0.01 -0.33 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 3ccz h GLU 665 Cb 1.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3ccz h GLU 665 CO 0.09 0.96 -0.66 -0.22 -0.73 0.00 0.00 179.01 178.46 3ccz h LYS 666 N 0.59 0.04 -0.25 1.92 1.63 -1.50 -2.63 116.57 116.37 3ccz h LYS 666 Ca 0.09 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.67 3ccz h LYS 666 Cb 0.71 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 3ccz h LYS 666 CO 0.05 0.68 -0.57 0.00 -3.45 0.00 0.00 179.45 176.17 3ccz h ALA 667 N 1.31 0.51 0.00 5.00 0.00 -1.20 -2.56 119.26 122.32 3ccz h ALA 667 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3ccz h ALA 667 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3ccz h ALA 667 CO 0.09 0.68 -0.51 -0.07 0.00 0.00 0.00 179.25 179.44 3ccz h LEU 668 N 0.60 0.00 -0.64 0.00 3.38 -1.31 -1.95 115.31 115.39 3ccz h LEU 668 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3ccz h LEU 668 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ccz h LEU 668 CO 0.12 0.51 -0.36 -1.28 0.09 0.00 0.00 178.44 177.52 3ccz h SER 669 N 0.00 0.70 0.16 -0.43 0.87 -1.39 -1.91 113.55 111.55 3ccz h SER 669 Ca -0.01 -0.30 -0.17 0.00 -1.23 0.00 0.00 61.79 60.09 3ccz h SER 669 Cb 1.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3ccz h SER 669 CO 0.07 0.99 -0.63 0.50 -0.53 0.00 0.00 176.83 177.23 3ccz h LYS 670 N 0.56 0.45 0.00 2.24 1.63 -1.30 -2.97 116.57 117.18 3ccz h LYS 670 Ca 0.06 -0.32 -0.06 0.00 -0.85 0.00 0.00 60.65 59.47 3ccz h LYS 670 Cb 0.87 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 3ccz h LYS 670 CO 0.08 0.94 -0.30 1.25 -3.45 0.00 0.00 179.45 177.96 3ccz h LEU 671 N 0.33 0.00 -0.78 5.20 5.85 -1.24 -2.80 115.31 121.87 3ccz h LEU 671 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3ccz h LEU 671 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3ccz h LEU 671 CO 0.11 0.30 -0.50 -0.74 -0.34 0.00 0.00 178.44 177.27 3ccz h HIS 672 N 0.00 0.00 -0.67 1.25 2.76 -1.19 -1.85 115.15 115.46 3ccz h HIS 672 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3ccz h HIS 672 Cb 0.65 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 3ccz h HIS 672 CO 0.00 0.50 0.31 0.93 -1.30 0.00 0.00 177.93 178.38 3ccz h GLU 673 N 0.00 0.95 0.00 5.26 5.08 -1.43 -2.00 114.58 122.43 3ccz h GLU 673 Ca -0.01 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 3ccz h GLU 673 Cb 1.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3ccz h GLU 673 CO 0.07 0.74 -1.06 1.88 -1.00 0.00 0.00 179.01 179.63 3ccz h TYR 674 N 0.94 0.00 -2.54 4.33 -1.99 -1.61 -3.41 116.97 112.70 3ccz h TYR 674 Ca 0.23 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.36 3ccz h TYR 674 Cb 0.11 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 38.45 3ccz h TYR 674 CO 0.01 0.63 -0.87 1.19 -0.00 0.00 0.00 178.16 179.12 3ccz n PHE 675 N -3.08 0.27 0.44 4.88 3.01 -0.71 -4.99 117.46 117.28 3ccz n PHE 675 Ca -0.05 -3.59 0.12 0.00 1.01 0.00 0.00 57.45 54.94 3ccz n PHE 675 Cb 0.83 -0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.77 3ccz n PHE 675 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ccz n PRO 676 N 2.52 0.20 0.00 -1.08 -0.04 -0.77 -2.15 135.00 133.69 3ccz n PRO 676 Ca 0.27 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 3ccz n PRO 676 Cb 0.45 -1.85 0.56 0.00 -0.04 0.00 0.00 33.50 32.62 3ccz n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ccz n GLU 677 N -2.23 0.33 -2.07 0.54 1.02 -1.26 -4.88 120.64 112.09 3ccz n GLU 677 Ca 0.03 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 3ccz n GLU 677 Cb 0.27 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3ccz n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ccz s MET 678 N -2.73 4.32 -0.18 3.49 1.75 -0.91 -4.56 119.30 120.48 3ccz s MET 678 Ca 0.21 2.26 0.00 0.00 -1.25 0.00 0.00 55.69 56.92 3ccz s MET 678 Cb 0.19 -3.06 0.01 0.00 2.84 0.00 0.00 34.83 34.81 3ccz s MET 678 CO 0.53 -0.24 -0.17 -1.14 -0.65 0.00 0.00 175.02 173.35 3ccz s GLN 679 N -1.78 3.09 -0.76 4.11 0.74 -0.46 -4.96 119.66 119.63 3ccz s GLN 679 Ca 0.50 -0.79 -0.27 0.00 0.05 0.00 0.00 55.36 54.85 3ccz s GLN 679 Cb -0.41 -2.64 0.03 0.00 1.10 0.00 0.00 33.01 31.09 3ccz s GLN 679 CO 0.54 -0.16 1.32 0.42 -0.55 0.00 0.00 175.29 176.86 3ccz s ILE 680 N 1.22 3.72 0.04 -2.34 1.01 -1.26 -1.07 121.20 122.53 3ccz s ILE 680 Ca 0.03 0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.77 3ccz s ILE 680 Cb -0.14 -4.89 -0.15 0.00 0.01 0.00 0.00 42.46 37.28 3ccz s ILE 680 CO -0.09 -1.83 1.29 0.25 0.00 0.00 0.00 174.94 174.57 3ccz h LEU 681 N 13.15 0.49 -7.11 2.97 5.85 -1.80 -3.46 115.31 125.40 3ccz h LEU 681 Ca -0.23 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 57.88 3ccz h LEU 681 Cb 1.05 -0.14 -0.23 0.00 0.37 0.00 0.00 40.66 41.71 3ccz h LEU 681 CO 1.29 0.95 -0.07 0.00 -0.34 0.00 0.00 178.44 180.28 3ccz s ALA 682 N -4.02 -1.50 0.47 1.25 0.00 -1.12 -5.03 121.76 111.82 3ccz s ALA 682 Ca -0.14 1.86 0.27 0.00 0.00 0.00 0.00 51.96 53.95 3ccz s ALA 682 Cb 0.05 -1.09 1.52 0.00 0.00 0.00 0.00 23.12 23.61 3ccz s ALA 682 CO 0.78 -0.31 2.12 -0.24 0.00 0.00 0.00 175.76 178.12 3ccz h VAL 683 N 4.71 0.61 -3.57 0.00 3.04 -1.89 -2.02 116.25 117.12 3ccz h VAL 683 Ca -0.30 -0.37 -0.65 0.00 -1.01 0.00 0.00 66.70 64.36 3ccz h VAL 683 Cb 1.19 1.24 -0.37 0.00 -2.01 0.00 0.00 31.29 31.34 3ccz h VAL 683 CO 0.17 0.09 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.46 3ccz s SER 684 N -6.24 3.86 -0.41 3.17 0.15 -1.26 -2.87 113.70 110.09 3ccz s SER 684 Ca -0.04 -1.10 0.06 0.00 0.70 0.00 0.00 55.95 55.57 3ccz s SER 684 Cb 0.14 -1.42 0.66 0.00 -1.71 0.00 0.00 66.02 63.69 3ccz s SER 684 CO 0.58 -0.14 1.85 0.61 1.20 0.00 0.00 173.24 177.34 3ccz n GLY 685 N 4.55 4.43 2.52 9.45 0.00 -0.11 -4.75 105.19 121.28 3ccz n GLY 685 Ca -0.15 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 3ccz n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ccz n ASN 686 N -1.00 -5.35 -1.08 1.61 4.13 -1.25 -4.80 115.26 107.52 3ccz n ASN 686 Ca 0.54 0.37 0.10 0.00 1.68 0.00 0.00 54.58 57.27 3ccz n ASN 686 Cb 1.55 -4.51 0.24 0.00 -1.54 0.00 0.00 39.78 35.53 3ccz n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ccz n TYR 687 N -2.77 0.68 0.14 3.10 9.36 -1.18 -4.66 117.16 121.83 3ccz n TYR 687 Ca -0.20 -0.42 -0.12 0.00 3.32 0.00 0.00 57.90 60.48 3ccz n TYR 687 Cb 0.64 -0.01 -0.07 0.00 -0.63 0.00 0.00 39.34 39.27 3ccz n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ccz s THR 689 N -4.14 4.53 -0.25 0.00 2.01 -1.26 -4.76 115.64 111.77 3ccz s THR 689 Ca -0.13 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 3ccz s THR 689 Cb 0.01 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3ccz s THR 689 CO 0.49 0.54 0.14 -0.62 -0.69 0.00 0.00 174.62 174.48 3ccz s ASP 690 N -0.31 5.74 -1.70 3.53 2.15 -1.26 -4.59 116.67 120.22 3ccz s ASP 690 Ca 0.07 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3ccz s ASP 690 Cb -0.12 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 3ccz s ASP 690 CO 0.02 -0.00 0.00 0.29 -0.17 0.00 0.00 175.17 175.31 3ccz n LYS 691 N 4.73 -1.20 -4.11 4.34 5.02 -1.26 -4.99 118.16 120.69 3ccz n LYS 691 Ca -0.15 1.03 -0.15 0.00 -2.02 0.00 0.00 58.31 57.01 3ccz n LYS 691 Cb 0.52 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.13 3ccz n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ccz s LYS 692 N -3.72 0.66 0.21 1.97 3.01 -1.26 -4.95 119.74 115.66 3ccz s LYS 692 Ca 0.00 -0.84 -0.31 0.00 -1.01 0.00 0.00 55.97 53.81 3ccz s LYS 692 Cb 0.00 -0.53 -0.10 0.00 -1.01 0.00 0.00 37.83 36.19 3ccz s LYS 692 CO 0.00 0.11 1.50 -1.25 0.51 0.00 0.00 175.35 176.22 3ccz s PRO 693 N -1.64 4.24 -0.23 -1.68 0.04 -1.26 -4.73 135.00 129.74 3ccz s PRO 693 Ca -0.06 2.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 3ccz s PRO 693 Cb -0.10 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.37 3ccz s PRO 693 CO 0.01 -0.51 0.57 0.00 0.04 0.00 0.00 177.00 177.11 3ccz s ALA 694 N 0.55 -1.49 0.40 8.56 0.00 -1.26 -5.03 121.76 123.50 3ccz s ALA 694 Ca 0.64 1.90 0.25 0.00 0.00 0.00 0.00 51.96 54.75 3ccz s ALA 694 Cb -0.43 -1.12 1.33 0.00 0.00 0.00 0.00 23.12 22.90 3ccz s ALA 694 CO 0.37 -0.31 2.04 0.00 0.00 0.00 0.00 175.76 177.86 3ccz h ALA 695 N 6.40 1.33 -0.46 0.00 0.00 -1.94 -2.84 119.26 121.74 3ccz h ALA 695 Ca -0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3ccz h ALA 695 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ccz h ALA 695 CO 0.19 0.18 -0.01 0.97 0.00 0.00 0.00 179.25 180.59 3ccz h ILE 696 N 0.00 1.24 -0.26 0.00 2.10 -1.98 -1.53 117.51 117.08 3ccz h ILE 696 Ca -0.00 -0.99 -0.12 0.00 1.08 0.00 0.00 64.86 64.82 3ccz h ILE 696 Cb 0.37 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 3ccz h ILE 696 CO 0.02 0.35 -0.35 0.78 -1.08 0.00 0.00 178.15 177.87 3ccz h ASN 697 N 0.71 0.59 -0.52 2.19 2.35 -1.80 -0.53 115.58 118.58 3ccz h ASN 697 Ca 0.14 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 3ccz h ASN 697 Cb 0.45 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3ccz h ASN 697 CO 0.02 0.90 -0.08 -0.25 -1.65 0.00 0.00 177.43 176.36 3ccz h TRP 698 N 0.48 1.11 0.00 1.19 2.91 -1.44 -1.47 115.95 118.73 3ccz h TRP 698 Ca 0.05 -0.22 -0.25 0.00 1.13 0.00 0.00 58.89 59.61 3ccz h TRP 698 Cb 0.83 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 3ccz h TRP 698 CO 0.03 1.02 -1.36 -0.89 -1.03 0.00 0.00 178.44 176.21 3ccz n ILE 699 N -4.15 1.54 0.14 2.65 5.41 -0.62 -4.42 119.36 119.90 3ccz n ILE 699 Ca 0.02 -0.06 0.09 0.00 1.00 0.00 0.00 62.75 63.80 3ccz n ILE 699 Cb 0.38 -2.03 0.05 0.00 -0.71 0.00 0.00 39.64 37.34 3ccz n ILE 699 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3ccz h GLU 700 N -0.98 0.00 0.00 0.38 4.39 -1.25 -3.51 114.58 113.61 3ccz h GLU 700 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3ccz h GLU 700 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3ccz h GLU 700 CO -0.22 0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.13 3ccz n GLY 701 N 1.19 -1.85 3.25 -3.84 0.00 -0.55 -5.02 105.19 98.37 3ccz n GLY 701 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 3ccz n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ccz s ARG 702 N -3.47 0.38 7.19 1.61 3.52 -1.14 -4.76 118.95 122.29 3ccz s ARG 702 Ca 0.00 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 3ccz s ARG 702 Cb 0.00 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 3ccz s ARG 702 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3ccz n GLY 703 N 4.05 2.27 3.67 8.12 0.00 -0.74 -3.33 105.19 119.23 3ccz n GLY 703 Ca -0.22 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3ccz n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ccz s LYS 704 N 0.00 4.19 -0.16 1.61 -0.14 -0.17 -1.87 119.74 123.20 3ccz s LYS 704 Ca 0.00 0.32 -0.14 0.00 -1.36 0.00 0.00 55.97 54.78 3ccz s LYS 704 Cb 0.00 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.56 3ccz s LYS 704 CO 0.00 -0.07 0.32 -1.12 -0.76 0.00 0.00 175.35 173.72 3ccz s SER 705 N 1.06 6.45 0.04 2.83 0.01 -0.72 -1.11 113.70 122.25 3ccz s SER 705 Ca 0.22 0.53 0.01 0.00 1.31 0.00 0.00 55.95 58.01 3ccz s SER 705 Cb -0.15 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 3ccz s SER 705 CO 0.09 0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 173.06 3ccz s VAL 706 N 0.60 0.33 0.01 3.43 1.01 -0.52 -0.50 120.40 124.77 3ccz s VAL 706 Ca 0.17 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ccz s VAL 706 Cb -0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3ccz s VAL 706 CO 0.05 -0.50 -0.09 0.54 0.00 0.00 0.00 175.10 175.10 3ccz s VAL 707 N -1.68 0.67 0.18 2.92 0.11 -0.89 -0.94 120.40 120.77 3ccz s VAL 707 Ca -0.11 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.41 3ccz s VAL 707 Cb -0.08 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 3ccz s VAL 707 CO -0.01 0.03 -0.10 0.00 -3.33 0.00 0.00 175.10 171.70 3ccz s GLU 709 N -3.74 1.16 0.07 0.00 -1.05 -0.73 -2.10 118.70 112.31 3ccz s GLU 709 Ca 0.21 -0.15 -0.26 0.00 -0.15 0.00 0.00 54.97 54.61 3ccz s GLU 709 Cb 0.02 0.54 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 3ccz s GLU 709 CO 0.04 -0.45 0.64 0.00 0.95 0.00 0.00 175.26 176.44 3ccz s ALA 710 N -2.57 -1.68 -0.18 -0.84 0.00 -0.71 -1.59 121.76 114.19 3ccz s ALA 710 Ca -0.05 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 3ccz s ALA 710 Cb -0.01 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.62 3ccz s ALA 710 CO -0.02 -0.60 -0.13 0.08 0.00 0.00 0.00 175.76 175.09 3ccz s VAL 711 N -2.67 2.76 -0.33 0.00 1.01 -1.26 -1.48 120.40 118.43 3ccz s VAL 711 Ca -0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3ccz s VAL 711 Cb -0.01 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3ccz s VAL 711 CO -0.03 0.49 0.15 -0.63 0.00 0.00 0.00 175.10 175.08 3ccz s ILE 712 N 1.12 4.41 0.65 2.22 -1.09 -0.43 -4.57 121.20 123.51 3ccz s ILE 712 Ca 0.01 -0.66 -0.17 0.00 -2.23 0.00 0.00 60.65 57.60 3ccz s ILE 712 Cb -0.14 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.35 3ccz s ILE 712 CO -0.04 -0.04 0.68 -2.65 -1.23 0.00 0.00 174.94 171.66 3ccz n PRO 713 N 4.95 0.52 -0.16 2.79 -0.02 -1.26 -1.63 135.00 140.18 3ccz n PRO 713 Ca -0.13 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 3ccz n PRO 713 Cb 0.48 -1.91 0.33 0.00 -0.02 0.00 0.00 33.50 32.37 3ccz n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ccz h ALA 714 N 0.01 1.63 -0.66 3.55 0.00 -1.94 -1.73 119.26 120.11 3ccz h ALA 714 Ca -0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3ccz h ALA 714 Cb 1.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3ccz h ALA 714 CO 0.46 0.30 0.15 -0.22 0.00 0.00 0.00 179.25 179.94 3ccz h LYS 715 N 0.80 1.06 -0.15 0.00 3.64 -1.91 -2.59 116.57 117.43 3ccz h LYS 715 Ca 0.27 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 3ccz h LYS 715 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3ccz h LYS 715 CO -0.08 0.95 -0.52 0.28 -2.27 0.00 0.00 179.45 177.81 3ccz h VAL 716 N 1.01 1.34 -0.22 2.00 2.07 -1.68 -2.31 116.25 118.45 3ccz h VAL 716 Ca 0.21 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 3ccz h VAL 716 Cb 0.38 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3ccz h VAL 716 CO 0.00 0.54 -0.29 0.58 0.02 0.00 0.00 177.57 178.43 3ccz h VAL 717 N 0.32 1.27 0.00 2.57 2.07 -1.26 -2.13 116.25 119.10 3ccz h VAL 717 Ca 0.01 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 3ccz h VAL 717 Cb 1.02 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3ccz h VAL 717 CO 0.09 0.41 -0.31 -0.09 0.02 0.00 0.00 177.57 177.69 3ccz h ARG 718 N 0.37 0.20 0.09 1.57 2.43 -1.35 -2.40 114.38 115.29 3ccz h ARG 718 Ca 0.05 -0.22 -0.23 0.00 -0.81 0.00 0.00 59.98 58.77 3ccz h ARG 718 Cb 0.70 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3ccz h ARG 718 CO 0.05 0.96 -1.17 0.93 -1.51 0.00 0.00 179.97 179.23 3ccz h GLU 719 N -0.47 0.19 0.00 0.20 5.08 -1.47 -2.79 114.58 115.32 3ccz h GLU 719 Ca -0.04 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3ccz h GLU 719 Cb 1.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3ccz h GLU 719 CO 0.06 1.15 -0.19 0.28 -1.00 0.00 0.00 179.01 179.31 3ccz h VAL 720 N -0.48 1.52 -0.00 3.13 2.07 -1.60 -3.38 116.25 117.50 3ccz h VAL 720 Ca -0.26 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3ccz h VAL 720 Cb 1.60 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.31 3ccz h VAL 720 CO 0.03 0.51 -0.39 0.18 0.02 0.00 0.00 177.57 177.92 3ccz n LEU 721 N -4.60 0.77 -3.63 2.57 4.77 -1.16 -4.97 117.00 110.75 3ccz n LEU 721 Ca -0.12 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.48 3ccz n LEU 721 Cb 0.47 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3ccz n LEU 721 CO 0.29 0.16 0.22 0.29 -1.33 0.00 0.00 177.39 177.02 3ccz n LYS 722 N -1.09 -7.54 -1.72 3.23 4.76 -0.94 -4.67 118.16 110.19 3ccz n LYS 722 Ca 0.09 0.80 -0.02 0.00 -2.87 0.00 0.00 58.31 56.30 3ccz n LYS 722 Cb 0.34 -5.83 0.00 0.00 -1.84 0.00 0.00 35.03 27.70 3ccz n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3ccz n THR 723 N -4.90 0.00 -4.51 -0.18 5.66 -0.98 -4.69 114.28 104.69 3ccz n THR 723 Ca -0.01 -0.24 -0.25 0.00 -3.05 0.00 0.00 64.05 60.49 3ccz n THR 723 Cb 0.57 0.19 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 3ccz n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ccz s THR 724 N -2.69 2.36 0.25 1.09 -4.23 -1.26 -3.22 115.64 107.93 3ccz s THR 724 Ca 0.04 -2.31 -0.03 0.00 -1.18 0.00 0.00 61.69 58.21 3ccz s THR 724 Cb -0.01 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.47 3ccz s THR 724 CO 0.03 -0.30 1.74 0.74 -0.54 0.00 0.00 174.62 176.29 3ccz h THR 725 N 2.15 1.25 -0.56 3.99 2.02 -1.91 -2.20 112.91 117.63 3ccz h THR 725 Ca -0.41 -1.02 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 3ccz h THR 725 Cb 1.26 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3ccz h THR 725 CO 0.65 0.36 -0.09 -0.08 0.37 0.00 0.00 175.52 176.74 3ccz h GLU 726 N 0.78 1.06 -0.19 6.66 4.81 -1.95 -2.38 114.58 123.37 3ccz h GLU 726 Ca 0.15 -0.38 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 3ccz h GLU 726 Cb 0.46 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ccz h GLU 726 CO 0.02 1.08 -0.37 0.00 -0.73 0.00 0.00 179.01 179.01 3ccz h ALA 727 N 0.94 1.01 -0.30 2.92 0.00 -1.95 -2.66 119.26 119.22 3ccz h ALA 727 Ca 0.15 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 3ccz h ALA 727 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ccz h ALA 727 CO 0.05 0.60 -0.45 0.52 0.00 0.00 0.00 179.25 179.97 3ccz h MET 728 N 0.36 0.78 -0.29 0.00 2.86 -1.24 -2.50 114.93 114.89 3ccz h MET 728 Ca 0.04 -0.43 -0.18 0.00 -2.06 0.00 0.00 59.70 57.06 3ccz h MET 728 Cb 0.81 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3ccz h MET 728 CO 0.07 1.06 -0.53 0.82 1.06 0.00 0.00 176.91 179.39 3ccz h ILE 729 N 0.62 1.28 -0.26 -1.22 2.04 -1.39 -1.90 117.51 116.68 3ccz h ILE 729 Ca 0.04 -1.72 -0.12 0.00 1.00 0.00 0.00 64.86 64.06 3ccz h ILE 729 Cb 1.01 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3ccz h ILE 729 CO 0.10 0.56 -0.35 -0.33 0.00 0.00 0.00 178.15 178.12 3ccz h GLU 730 N 0.66 0.58 -0.31 2.37 4.39 -1.48 -1.34 114.58 119.45 3ccz h GLU 730 Ca 0.02 -0.27 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 3ccz h GLU 730 Cb 1.13 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3ccz h GLU 730 CO 0.12 0.85 -0.43 0.28 -1.16 0.00 0.00 179.01 178.67 3ccz h VAL 731 N 0.49 1.29 -0.46 3.13 2.07 -1.44 -2.58 116.25 118.75 3ccz h VAL 731 Ca 0.05 -1.61 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 3ccz h VAL 731 Cb 0.84 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3ccz h VAL 731 CO 0.07 0.52 -0.10 -1.13 0.02 0.00 0.00 177.57 176.96 3ccz h ASN 732 N 0.63 0.88 -0.21 0.57 -1.24 -1.09 -0.33 115.58 114.79 3ccz h ASN 732 Ca 0.04 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.69 3ccz h ASN 732 Cb 0.99 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 3ccz h ASN 732 CO 0.09 1.03 0.08 0.40 -1.29 0.00 0.00 177.43 177.75 3ccz h ILE 733 N 0.72 1.17 0.00 2.57 2.04 -1.28 -1.78 117.51 120.95 3ccz h ILE 733 Ca 0.12 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3ccz h ILE 733 Cb 0.64 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3ccz h ILE 733 CO 0.04 0.17 -0.52 0.59 0.00 0.00 0.00 178.15 178.44 3ccz n ASN 734 N -4.81 0.52 -0.03 1.72 3.02 -0.97 -1.15 115.26 113.56 3ccz n ASN 734 Ca -0.04 -0.12 -0.04 0.00 -0.03 0.00 0.00 54.58 54.35 3ccz n ASN 734 Cb 0.13 0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 3ccz n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ccz n LYS 735 N -1.65 0.22 0.19 3.52 4.81 -0.14 -2.20 118.16 122.91 3ccz n LYS 735 Ca 0.05 0.09 0.06 0.00 -0.87 0.00 0.00 58.31 57.64 3ccz n LYS 735 Cb 0.36 -0.82 0.34 0.00 0.02 0.00 0.00 35.03 34.94 3ccz n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3ccz h ASN 736 N -0.41 0.00 0.00 3.14 2.35 -1.46 -1.80 115.58 117.40 3ccz h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ccz h ASN 736 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3ccz h ASN 736 CO 0.00 0.36 -0.44 0.18 -1.65 0.00 0.00 177.43 175.88 3ccz n LEU 737 N -3.52 0.90 -0.06 1.61 4.77 -1.10 -4.20 117.00 115.39 3ccz n LEU 737 Ca -0.00 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 3ccz n LEU 737 Cb 0.50 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3ccz n LEU 737 CO 0.36 -0.41 0.41 0.58 -1.33 0.00 0.00 177.39 177.01 3ccz h VAL 738 N -0.44 1.29 -0.18 4.08 2.07 -1.32 -1.35 116.25 120.40 3ccz h VAL 738 Ca 0.00 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3ccz h VAL 738 Cb 0.44 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ccz h VAL 738 CO 0.00 0.56 0.09 1.23 0.02 0.00 0.00 177.57 179.46 3ccz h GLY 739 N 0.53 0.28 1.70 2.17 0.00 -1.01 -0.71 103.07 106.05 3ccz h GLY 739 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3ccz h GLY 739 CO 0.12 0.13 -0.07 1.76 0.00 0.00 0.00 176.54 178.49 3ccz h SER 740 N 0.16 0.35 -0.35 0.19 0.02 -1.36 -2.15 113.55 110.41 3ccz h SER 740 Ca 0.06 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3ccz h SER 740 Cb 0.12 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3ccz h SER 740 CO -0.01 0.46 0.04 0.00 -1.14 0.00 0.00 176.83 176.18 3ccz h ALA 741 N 1.58 0.47 0.00 3.77 0.00 -0.85 -1.90 119.26 122.33 3ccz h ALA 741 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3ccz h ALA 741 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ccz h ALA 741 CO 0.02 0.19 -0.29 0.52 0.00 0.00 0.00 179.25 179.69 3ccz h MET 742 N 0.43 0.00 -0.00 0.00 2.86 -0.83 -2.41 114.93 114.97 3ccz h MET 742 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3ccz h MET 742 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3ccz h MET 742 CO 0.01 0.29 -0.07 0.00 1.06 0.00 0.00 176.91 178.20 3ccz n ALA 743 N -2.42 2.55 -2.52 6.32 0.00 -0.83 -4.94 120.51 118.67 3ccz n ALA 743 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 3ccz n ALA 743 Cb 0.35 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.40 3ccz n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ccz n GLY 744 N 1.42 0.49 3.82 0.00 0.00 -0.91 -5.03 105.19 104.98 3ccz n GLY 744 Ca 0.10 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3ccz n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ccz s SER 745 N -3.16 6.92 -0.33 1.61 0.15 -0.74 -5.05 113.70 113.10 3ccz s SER 745 Ca 0.06 1.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 3ccz s SER 745 Cb -0.03 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 62.05 3ccz s SER 745 CO 0.14 0.28 0.05 -0.63 1.20 0.00 0.00 173.24 174.29 3ccz s ILE 746 N -1.00 2.87 0.00 6.45 -1.09 -1.26 -4.68 121.20 122.48 3ccz s ILE 746 Ca 0.26 -1.76 0.00 0.00 -2.23 0.00 0.00 60.65 56.92 3ccz s ILE 746 Cb -0.18 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3ccz s ILE 746 CO 0.16 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.13 3ccz n GLY 747 N 4.53 0.73 2.52 6.18 0.00 -1.26 -4.93 105.19 112.97 3ccz n GLY 747 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3ccz n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 748 N -2.40 5.89 2.57 -0.02 0.00 -1.26 -1.90 105.19 108.07 3ccz n GLY 748 Ca 0.00 -2.57 -0.37 0.00 0.00 0.00 0.00 46.02 43.08 3ccz n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ccz n TYR 749 N -0.62 2.44 -3.97 1.61 4.02 -0.87 -4.82 117.16 114.94 3ccz n TYR 749 Ca 0.50 -2.48 -0.10 0.00 -0.01 0.00 0.00 57.90 55.81 3ccz n TYR 749 Cb 0.57 -1.49 -0.04 0.00 -0.02 0.00 0.00 39.34 38.35 3ccz n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3ccz s ASN 750 N -0.21 0.05 -0.10 7.72 2.20 -1.24 -1.24 114.94 122.13 3ccz s ASN 750 Ca 0.52 -1.00 -0.00 0.00 -0.94 0.00 0.00 52.86 51.44 3ccz s ASN 750 Cb 0.27 0.65 -0.00 0.00 -2.00 0.00 0.00 41.25 40.17 3ccz s ASN 750 CO -0.18 -1.26 -0.00 0.00 -2.94 0.00 0.00 177.10 172.72 3ccz h ALA 751 N 2.17 0.00 0.00 3.54 0.00 -1.93 -3.46 119.26 119.57 3ccz h ALA 751 Ca -0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 3ccz h ALA 751 Cb 1.25 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3ccz h ALA 751 CO 0.35 0.01 -0.27 -2.39 0.00 0.00 0.00 179.25 176.96 3ccz n HIS 752 N -4.68 -2.06 -0.31 0.00 1.44 -1.26 -4.96 115.22 103.40 3ccz n HIS 752 Ca -0.00 -1.67 0.19 0.00 -2.01 0.00 0.00 57.72 54.23 3ccz n HIS 752 Cb 0.01 1.51 0.46 0.00 0.12 0.00 0.00 29.99 32.09 3ccz n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ccz h ALA 753 N 1.41 2.07 -0.64 1.59 0.00 -1.89 -1.31 119.26 120.50 3ccz h ALA 753 Ca -0.36 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3ccz h ALA 753 Cb 1.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3ccz h ALA 753 CO -0.13 -0.43 0.42 0.00 0.00 0.00 0.00 179.25 179.11 3ccz h ALA 754 N 1.62 1.57 -0.31 0.00 0.00 -1.93 -0.91 119.26 119.31 3ccz h ALA 754 Ca 0.55 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.45 3ccz h ALA 754 Cb 1.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3ccz h ALA 754 CO -0.28 0.39 0.11 -0.91 0.00 0.00 0.00 179.25 178.56 3ccz h ASN 755 N 0.84 0.13 -0.12 0.00 2.35 -1.64 -1.08 115.58 116.07 3ccz h ASN 755 Ca 0.24 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3ccz h ASN 755 Cb -0.06 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ccz h ASN 755 CO -0.06 0.11 -0.42 0.40 -1.65 0.00 0.00 177.43 175.81 3ccz h ILE 756 N 0.25 1.37 -0.29 2.81 5.03 -1.49 -2.57 117.51 122.62 3ccz h ILE 756 Ca 0.14 -1.74 0.01 0.00 -0.12 0.00 0.00 64.86 63.15 3ccz h ILE 756 Cb 0.10 2.13 -0.02 0.00 -3.03 0.00 0.00 36.82 36.00 3ccz h ILE 756 CO -0.13 0.52 0.16 0.58 -0.68 0.00 0.00 178.15 178.60 3ccz h VAL 757 N 0.10 1.02 -0.67 1.67 2.07 -1.15 -1.65 116.25 117.63 3ccz h VAL 757 Ca -0.02 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3ccz h VAL 757 Cb 1.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3ccz h VAL 757 CO 0.09 0.06 0.20 0.74 0.02 0.00 0.00 177.57 178.68 3ccz h THR 758 N 0.33 1.25 -0.29 2.57 2.02 -1.24 -0.51 112.91 117.05 3ccz h THR 758 Ca 0.12 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 3ccz h THR 758 Cb 0.01 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3ccz h THR 758 CO -0.06 0.34 -0.06 0.00 0.37 0.00 0.00 175.52 176.11 3ccz h ALA 759 N 1.09 0.40 -0.45 6.16 0.00 -1.23 -1.65 119.26 123.57 3ccz h ALA 759 Ca 0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3ccz h ALA 759 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ccz h ALA 759 CO -0.00 0.20 -0.13 0.82 0.00 0.00 0.00 179.25 180.14 3ccz h ILE 760 N 0.32 1.26 -0.40 0.00 2.04 -1.25 -0.83 117.51 118.65 3ccz h ILE 760 Ca 0.07 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 3ccz h ILE 760 Cb 0.53 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3ccz h ILE 760 CO 0.03 0.42 0.06 1.88 0.00 0.00 0.00 178.15 180.54 3ccz h TYR 761 N 0.75 0.72 -0.41 1.37 -1.99 -0.90 -0.92 116.97 115.58 3ccz h TYR 761 Ca 0.12 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 3ccz h TYR 761 Cb 0.64 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3ccz h TYR 761 CO 0.04 0.71 -0.22 0.82 -0.00 0.00 0.00 178.16 179.50 3ccz h ILE 762 N 0.52 1.27 -0.21 -2.88 2.04 -1.31 -0.36 117.51 116.58 3ccz h ILE 762 Ca 0.12 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3ccz h ILE 762 Cb 0.38 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3ccz h ILE 762 CO 0.01 0.45 -0.33 0.00 0.00 0.00 0.00 178.15 178.28 3ccz h ALA 763 N 1.03 1.04 -0.39 1.87 0.00 -1.28 -3.29 119.26 118.24 3ccz h ALA 763 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ccz h ALA 763 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ccz h ALA 763 CO 0.06 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3ccz n GLY 765 N 0.00 0.61 3.91 0.00 0.00 -1.00 -4.59 105.19 104.13 3ccz n GLY 765 Ca 0.23 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3ccz n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ccz s GLN 766 N -3.66 2.10 -0.64 1.61 -1.52 -0.18 -2.86 119.66 114.52 3ccz s GLN 766 Ca 0.00 0.01 -0.28 0.00 -1.95 0.00 0.00 55.36 53.15 3ccz s GLN 766 Cb 0.00 -2.03 0.03 0.00 -0.22 0.00 0.00 33.01 30.79 3ccz s GLN 766 CO 0.00 -1.44 1.22 0.34 -0.25 0.00 0.00 175.29 175.16 3ccz s ASP 767 N -4.54 6.33 0.51 5.90 -1.08 -1.26 -4.72 116.67 117.82 3ccz s ASP 767 Ca 0.61 -0.12 0.29 0.00 -0.52 0.00 0.00 52.55 52.80 3ccz s ASP 767 Cb -0.11 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.15 3ccz s ASP 767 CO 0.48 -1.61 2.01 0.00 0.52 0.00 0.00 175.17 176.56 3ccz h ALA 768 N 9.72 1.13 0.00 3.66 0.00 -1.95 -2.04 119.26 129.79 3ccz h ALA 768 Ca -0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 768 Cb 1.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ccz h ALA 768 CO 1.22 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 180.51 3ccz h ALA 769 N 1.88 1.15 0.00 0.00 0.00 -2.01 -2.36 119.26 117.91 3ccz h ALA 769 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ccz h ALA 769 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ccz h ALA 769 CO 0.02 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.45 3ccz n GLN 770 N -3.45 0.86 0.28 0.00 6.02 -0.76 -3.23 117.38 117.10 3ccz n GLN 770 Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.17 3ccz n GLN 770 Cb 0.28 -1.36 0.97 0.00 1.02 0.00 0.00 30.24 31.14 3ccz n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 3ccz h ASN 771 N 0.00 0.00 0.23 1.08 -0.00 -1.58 -0.93 115.58 114.38 3ccz h ASN 771 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3ccz h ASN 771 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 3ccz h ASN 771 CO 0.00 0.00 -0.21 0.58 -0.00 0.00 0.00 177.43 177.80 3ccz h VAL 772 N 0.00 0.56 0.02 6.14 2.07 -1.81 -2.97 116.25 120.25 3ccz h VAL 772 Ca 0.00 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.21 3ccz h VAL 772 Cb 0.09 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3ccz h VAL 772 CO 0.00 0.00 -1.82 0.61 0.02 0.00 0.00 177.57 176.38 3ccz n GLY 773 N -1.33 -0.91 0.23 2.17 0.00 -1.16 -4.33 105.19 99.87 3ccz n GLY 773 Ca -0.08 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3ccz n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ccz h SER 774 N 0.01 0.00 -0.07 1.61 0.02 -1.18 -2.60 113.55 111.35 3ccz h SER 774 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3ccz h SER 774 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3ccz h SER 774 CO 0.08 0.20 0.00 -1.54 -1.14 0.00 0.00 176.83 174.43 3ccz n SER 775 N -3.88 1.24 -4.65 3.07 3.41 -1.12 -4.35 113.62 107.34 3ccz n SER 775 Ca -0.02 -1.51 -0.52 0.00 -0.26 0.00 0.00 58.87 56.56 3ccz n SER 775 Cb 0.30 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 3ccz n SER 775 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ccz n ASN 776 N -0.00 2.36 -3.64 4.04 3.02 -0.98 -4.55 115.26 115.52 3ccz n ASN 776 Ca 0.18 1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 55.71 3ccz n ASN 776 Cb 0.29 -1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.14 3ccz n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ccz s ILE 778 N 0.62 2.34 -0.25 0.00 2.07 -0.80 -2.06 121.20 123.14 3ccz s ILE 778 Ca -0.01 -0.85 -0.09 0.00 -1.41 0.00 0.00 60.65 58.29 3ccz s ILE 778 Cb -0.05 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 3ccz s ILE 778 CO -0.06 0.52 0.11 -0.89 -1.91 0.00 0.00 174.94 172.71 3ccz s THR 779 N 1.21 4.77 0.01 4.00 2.01 -0.37 -2.07 115.64 125.21 3ccz s THR 779 Ca 0.02 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.08 3ccz s THR 779 Cb -0.14 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3ccz s THR 779 CO -0.09 0.33 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.19 3ccz s LEU 780 N 1.41 2.29 -0.01 4.42 1.43 -0.53 -4.89 118.68 122.81 3ccz s LEU 780 Ca 0.06 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3ccz s LEU 780 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3ccz s LEU 780 CO 0.05 0.29 -0.00 -0.04 0.23 0.00 0.00 176.35 176.88 3ccz s MET 781 N -1.03 0.10 0.27 1.70 -1.94 -1.26 -1.60 119.30 115.54 3ccz s MET 781 Ca 0.12 0.00 -0.08 0.00 -1.71 0.00 0.00 55.69 54.02 3ccz s MET 781 Cb -0.10 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.57 3ccz s MET 781 CO 0.02 -0.02 0.42 -1.83 -0.01 0.00 0.00 175.02 173.60 3ccz s GLU 782 N 0.25 1.60 0.49 2.03 -1.05 -0.86 -4.88 118.70 116.28 3ccz s GLU 782 Ca -0.02 -1.46 -0.19 0.00 -0.15 0.00 0.00 54.97 53.15 3ccz s GLU 782 Cb -0.04 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 3ccz s GLU 782 CO -0.01 -0.65 0.99 0.00 0.95 0.00 0.00 175.26 176.55 3ccz s ALA 783 N -3.75 2.99 0.21 -0.84 0.00 -1.26 -1.55 121.76 117.56 3ccz s ALA 783 Ca 0.27 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 3ccz s ALA 783 Cb 0.01 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3ccz s ALA 783 CO 0.13 -0.18 0.47 0.45 0.00 0.00 0.00 175.76 176.63 3ccz s SER 784 N -2.53 -0.15 0.00 0.00 0.15 -0.05 -4.76 113.70 106.36 3ccz s SER 784 Ca 0.62 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.57 3ccz s SER 784 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3ccz s SER 784 CO 0.23 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.22 3ccz n GLY 785 N -0.33 -3.04 0.21 9.45 0.00 -1.26 -2.17 105.19 108.04 3ccz n GLY 785 Ca -0.07 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 3ccz n GLY 785 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ccz h PRO 786 N 0.00 0.70 -0.01 1.61 0.13 -2.01 -3.15 132.00 129.27 3ccz h PRO 786 Ca 0.00 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3ccz h PRO 786 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 3ccz h PRO 786 CO 0.00 0.99 -0.02 0.25 -0.23 0.00 0.00 178.00 178.99 3ccz n THR 787 N -4.26 0.00 -2.36 1.56 -2.24 -1.26 -4.94 114.28 100.77 3ccz n THR 787 Ca -0.04 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 3ccz n THR 787 Cb 0.48 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3ccz n THR 787 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ccz n ASN 788 N 0.06 -4.90 -0.11 3.42 5.15 -1.19 -4.90 115.26 112.79 3ccz n ASN 788 Ca 0.19 -0.03 0.04 0.00 -0.60 0.00 0.00 54.58 54.17 3ccz n ASN 788 Cb 0.35 -3.99 -0.02 0.00 -0.53 0.00 0.00 39.78 35.59 3ccz n ASN 788 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ccz n GLU 789 N -2.64 3.13 -3.13 1.20 1.02 -1.16 -4.45 120.64 114.62 3ccz n GLU 789 Ca -0.19 -0.31 -0.32 0.00 -0.02 0.00 0.00 57.16 56.33 3ccz n GLU 789 Cb 0.64 -0.97 -0.05 0.00 -0.02 0.00 0.00 31.44 31.05 3ccz n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ccz s ASP 790 N -1.46 6.68 -0.42 1.62 1.01 -0.92 -4.17 116.67 119.01 3ccz s ASP 790 Ca 0.05 1.16 -0.12 0.00 0.71 0.00 0.00 52.55 54.36 3ccz s ASP 790 Cb 0.07 -2.33 0.06 0.00 1.01 0.00 0.00 42.92 41.72 3ccz s ASP 790 CO 0.26 -0.23 0.28 -0.22 0.21 0.00 0.00 175.17 175.48 3ccz s LEU 791 N -3.18 5.14 0.06 1.23 2.96 -0.65 -0.87 118.68 123.37 3ccz s LEU 791 Ca 0.52 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.90 3ccz s LEU 791 Cb -0.10 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3ccz s LEU 791 CO 0.22 -0.51 0.93 -0.47 -1.32 0.00 0.00 176.35 175.19 3ccz s TYR 792 N 1.55 3.74 0.05 5.38 5.04 -0.59 -1.31 117.35 131.21 3ccz s TYR 792 Ca 0.03 1.70 0.04 0.00 -2.44 0.00 0.00 57.07 56.40 3ccz s TYR 792 Cb -0.22 -3.03 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 3ccz s TYR 792 CO 0.06 0.14 -0.13 -1.50 -1.34 0.00 0.00 175.55 172.78 3ccz s ILE 793 N 0.35 0.97 -0.03 3.14 2.07 -0.55 -2.03 121.20 125.11 3ccz s ILE 793 Ca 0.47 -1.14 -0.09 0.00 -1.41 0.00 0.00 60.65 58.49 3ccz s ILE 793 Cb -0.22 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.45 3ccz s ILE 793 CO 0.28 -0.18 0.20 -0.94 -1.91 0.00 0.00 174.94 172.39 3ccz s SER 794 N -1.48 -0.11 -0.06 4.50 1.04 -0.63 -1.74 113.70 115.22 3ccz s SER 794 Ca -0.02 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.55 3ccz s SER 794 Cb -0.09 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3ccz s SER 794 CO 0.02 -0.26 -0.18 0.00 0.98 0.00 0.00 173.24 173.79 3ccz s THR 796 N 0.27 2.07 -0.38 0.00 2.01 -0.88 -1.32 115.64 117.42 3ccz s THR 796 Ca -0.10 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 60.97 3ccz s THR 796 Cb -0.14 -1.86 0.11 0.00 0.01 0.00 0.00 72.50 70.62 3ccz s THR 796 CO 0.04 0.54 0.14 -0.04 -0.69 0.00 0.00 174.62 174.61 3ccz s MET 797 N 1.18 1.27 0.00 4.92 -1.94 -0.12 -1.90 119.30 122.71 3ccz s MET 797 Ca 0.02 -1.76 0.26 0.00 -1.71 0.00 0.00 55.69 52.50 3ccz s MET 797 Cb -0.14 -2.65 1.19 0.00 2.01 0.00 0.00 34.83 35.25 3ccz s MET 797 CO -0.10 -1.03 1.85 -0.35 -0.01 0.00 0.00 175.02 175.38 3ccz n PRO 798 N 4.12 0.16 -2.68 2.03 -0.04 -1.26 -1.43 135.00 135.90 3ccz n PRO 798 Ca 0.03 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 3ccz n PRO 798 Cb 0.39 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 3ccz n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ccz n SER 799 N -1.41 1.17 -4.58 3.54 3.41 -1.24 -2.88 113.62 111.64 3ccz n SER 799 Ca 0.09 -2.61 -0.42 0.00 -0.26 0.00 0.00 58.87 55.67 3ccz n SER 799 Cb 0.26 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3ccz n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ccz s ILE 800 N -2.91 3.75 -0.44 -1.33 1.01 -0.27 -3.38 121.20 117.64 3ccz s ILE 800 Ca 0.26 0.68 -0.20 0.00 0.00 0.00 0.00 60.65 61.39 3ccz s ILE 800 Cb 0.44 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3ccz s ILE 800 CO 0.02 -0.96 0.63 -1.61 0.00 0.00 0.00 174.94 173.02 3ccz s GLU 801 N 5.51 3.26 0.09 2.79 2.02 -1.26 -1.00 118.70 130.10 3ccz s GLU 801 Ca 0.59 -0.41 -0.19 0.00 0.02 0.00 0.00 54.97 54.98 3ccz s GLU 801 Cb -0.13 -3.96 0.04 0.00 0.10 0.00 0.00 34.13 30.19 3ccz s GLU 801 CO 0.28 -1.01 0.45 -1.50 0.02 0.00 0.00 175.26 173.50 3ccz s ILE 802 N 2.77 0.05 0.13 -1.63 2.07 -1.26 -4.90 121.20 118.43 3ccz s ILE 802 Ca 0.22 -0.41 -0.24 0.00 -1.41 0.00 0.00 60.65 58.80 3ccz s ILE 802 Cb -0.14 -1.05 0.07 0.00 0.13 0.00 0.00 42.46 41.47 3ccz s ILE 802 CO 0.18 -0.23 0.71 -0.83 -1.91 0.00 0.00 174.94 172.87 3ccz s GLY 803 N -2.39 -0.51 0.00 1.50 0.00 -1.26 -3.67 107.32 100.99 3ccz s GLY 803 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3ccz s GLY 803 CO -0.07 0.18 0.70 -1.30 0.00 0.00 0.00 173.10 172.61 3ccz n THR 804 N -0.35 0.41 -4.18 0.90 -2.24 -0.25 -4.84 114.28 103.72 3ccz n THR 804 Ca -0.13 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 3ccz n THR 804 Cb 0.63 0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 3ccz n THR 804 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ccz s VAL 805 N -0.41 0.63 0.00 2.28 -7.23 -1.24 -2.38 120.40 112.04 3ccz s VAL 805 Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3ccz s VAL 805 Cb 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.34 3ccz s VAL 805 CO 0.00 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 3ccz n GLY 806 N 2.15 -1.19 7.00 2.32 0.00 -1.26 -4.31 105.19 109.89 3ccz n GLY 806 Ca -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3ccz n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 807 N -0.86 2.29 0.05 -0.02 0.00 -1.26 -2.59 105.19 102.80 3ccz n GLY 807 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3ccz n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 808 N 0.00 -1.26 0.00 -0.02 0.00 -1.14 -2.81 105.19 99.96 3ccz n GLY 808 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3ccz n GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ccz n THR 809 N -1.82 0.09 0.28 2.61 -2.24 -1.07 -2.88 114.28 109.24 3ccz n THR 809 Ca 0.04 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3ccz n THR 809 Cb 0.25 -0.57 0.23 0.00 -2.10 0.00 0.00 70.33 68.14 3ccz n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3ccz h ASN 810 N 0.00 0.00 -3.82 3.42 2.35 -1.68 -3.42 115.58 112.43 3ccz h ASN 810 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 3ccz h ASN 810 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3ccz h ASN 810 CO 0.00 0.00 0.31 -0.76 -1.65 0.00 0.00 177.43 175.33 3ccz s LEU 811 N -5.98 4.36 0.15 1.61 1.43 -1.14 -4.97 118.68 114.14 3ccz s LEU 811 Ca 0.07 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 3ccz s LEU 811 Cb 0.06 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3ccz s LEU 811 CO 0.65 -0.03 1.57 -0.07 0.23 0.00 0.00 176.35 178.70 3ccz h LEU 812 N 3.29 0.88 -0.89 1.79 3.38 -1.89 -1.25 115.31 120.62 3ccz h LEU 812 Ca -0.47 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 3ccz h LEU 812 Cb 1.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3ccz h LEU 812 CO 0.65 1.02 0.48 -0.65 0.09 0.00 0.00 178.44 180.03 3ccz h PRO 813 N 0.73 1.25 -0.08 1.13 0.11 -1.95 -1.69 132.00 131.51 3ccz h PRO 813 Ca 0.12 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 3ccz h PRO 813 Cb 0.61 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3ccz h PRO 813 CO 0.04 0.93 -0.44 1.96 -0.21 0.00 0.00 178.00 180.28 3ccz h GLN 814 N 1.25 0.18 0.00 1.05 7.50 -1.78 -2.61 115.11 120.71 3ccz h GLN 814 Ca 0.31 -0.09 -0.06 0.00 0.50 0.00 0.00 58.65 59.32 3ccz h GLN 814 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 3ccz h GLN 814 CO -0.05 0.59 -0.27 1.96 -1.50 0.00 0.00 178.83 179.56 3ccz h GLN 815 N 0.15 0.00 -0.55 1.46 4.20 -0.79 -2.80 115.11 116.78 3ccz h GLN 815 Ca 0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3ccz h GLN 815 Cb 0.84 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3ccz h GLN 815 CO 0.07 0.27 0.13 0.00 -0.67 0.00 0.00 178.83 178.63 3ccz h ALA 816 N 1.73 0.73 -0.07 3.87 0.00 -0.91 -0.61 119.26 123.99 3ccz h ALA 816 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3ccz h ALA 816 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ccz h ALA 816 CO 0.04 0.43 -0.66 0.00 0.00 0.00 0.00 179.25 179.06 3ccz h LEU 818 N 0.20 0.61 -0.84 0.00 3.38 -1.39 -3.06 115.31 114.22 3ccz h LEU 818 Ca -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3ccz h LEU 818 Cb 1.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3ccz h LEU 818 CO 0.11 0.83 -0.28 1.56 0.09 0.00 0.00 178.44 180.74 3ccz h GLN 819 N 0.54 0.00 -0.80 1.13 4.20 -0.93 -2.31 115.11 116.95 3ccz h GLN 819 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3ccz h GLN 819 Cb 0.67 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 3ccz h GLN 819 CO 0.05 0.28 0.39 0.52 -0.67 0.00 0.00 178.83 179.40 3ccz h MET 820 N 0.00 1.14 -0.00 1.46 2.86 -1.33 -2.83 114.93 116.22 3ccz h MET 820 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3ccz h MET 820 Cb 0.89 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3ccz h MET 820 CO 0.04 0.87 -0.33 1.28 1.06 0.00 0.00 176.91 179.82 3ccz n LEU 821 N -4.32 0.50 -0.56 1.22 4.77 -1.05 -4.65 117.00 112.93 3ccz n LEU 821 Ca 0.08 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3ccz n LEU 821 Cb 0.13 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3ccz n LEU 821 CO 0.39 0.11 -0.06 0.61 -1.33 0.00 0.00 177.39 177.11 3ccz n GLY 822 N 1.45 0.20 0.02 -0.72 0.00 -0.94 -4.94 105.19 100.25 3ccz n GLY 822 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.42 3ccz n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ccz n VAL 823 N -3.92 0.83 -2.18 1.61 0.24 -0.91 -5.01 118.33 108.98 3ccz n VAL 823 Ca -0.06 -0.86 -0.41 0.00 -2.04 0.00 0.00 64.34 60.97 3ccz n VAL 823 Cb 0.52 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 3ccz n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ccz s GLN 824 N -0.91 4.39 1.12 7.34 -0.44 -1.20 -4.73 119.66 125.23 3ccz s GLN 824 Ca 0.03 2.11 0.00 0.00 -2.50 0.00 0.00 55.36 55.00 3ccz s GLN 824 Cb 0.02 -3.15 0.00 0.00 -1.64 0.00 0.00 33.01 28.25 3ccz s GLN 824 CO 0.00 -0.21 0.00 0.41 0.50 0.00 0.00 175.29 175.99 3ccz n GLY 825 N 1.77 -1.96 3.73 2.59 0.00 -1.00 -4.84 105.19 105.48 3ccz n GLY 825 Ca 0.04 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 3ccz n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz s ALA 826 N -1.13 3.51 -0.25 4.61 0.00 -1.26 -4.60 121.76 122.64 3ccz s ALA 826 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 3ccz s ALA 826 Cb 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 3ccz s ALA 826 CO 0.00 0.05 1.29 0.00 0.00 0.00 0.00 175.76 177.10 3ccz h LYS 828 N 8.91 0.31 -0.32 0.00 1.57 -2.00 -3.16 116.57 121.88 3ccz h LYS 828 Ca -0.26 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.13 3ccz h LYS 828 Cb 1.10 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3ccz h LYS 828 CO 1.01 0.97 -0.19 -0.44 -0.57 0.00 0.00 179.45 180.23 3ccz h ASP 829 N -0.25 0.58 -2.78 0.86 3.32 -2.06 -3.38 116.42 112.71 3ccz h ASP 829 Ca -0.04 -0.18 -0.59 0.00 0.02 0.00 0.00 57.03 56.24 3ccz h ASP 829 Cb 1.08 -0.16 -0.39 0.00 0.22 0.00 0.00 39.33 40.08 3ccz h ASP 829 CO 0.08 0.78 -0.83 0.21 -1.72 0.00 0.00 179.24 177.76 3ccz s ASN 830 N -6.77 3.09 -0.05 6.45 2.47 -1.25 -5.12 114.94 113.77 3ccz s ASN 830 Ca -0.08 -2.28 -0.36 0.00 0.42 0.00 0.00 52.86 50.56 3ccz s ASN 830 Cb 0.14 -0.53 -0.14 0.00 -1.45 0.00 0.00 41.25 39.27 3ccz s ASN 830 CO 0.80 -0.30 1.71 -2.65 -3.72 0.00 0.00 177.10 172.94 3ccz n PRO 831 N 3.93 1.83 -0.33 0.43 -0.02 -1.19 -1.94 135.00 137.70 3ccz n PRO 831 Ca 0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ccz n PRO 831 Cb 0.37 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3ccz n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ccz n GLY 832 N 3.89 0.75 0.15 -1.23 0.00 -1.25 -4.85 105.19 102.64 3ccz n GLY 832 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3ccz n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ccz h GLU 833 N 3.69 0.37 -0.34 1.61 4.57 -1.70 -2.32 114.58 120.46 3ccz h GLU 833 Ca 0.00 -0.42 -0.17 0.00 -1.18 0.00 0.00 59.36 57.59 3ccz h GLU 833 Cb 0.00 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3ccz h GLU 833 CO 0.00 1.10 -0.47 -0.91 -1.18 0.00 0.00 179.01 177.54 3ccz h ASN 834 N 0.20 1.00 -0.37 1.04 2.35 -1.88 -1.48 115.58 116.44 3ccz h ASN 834 Ca -0.08 -0.50 -0.13 0.00 -0.55 0.00 0.00 56.30 55.03 3ccz h ASN 834 Cb 1.60 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3ccz h ASN 834 CO 0.16 1.30 -0.27 0.00 -1.65 0.00 0.00 177.43 176.97 3ccz h ALA 835 N 0.72 0.73 -0.49 -0.83 0.00 -1.81 -1.97 119.26 115.60 3ccz h ALA 835 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3ccz h ALA 835 Cb 1.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ccz h ALA 835 CO 0.11 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.97 3ccz h ARG 836 N 0.76 0.86 -0.52 0.00 3.08 -1.42 -2.17 114.38 114.98 3ccz h ARG 836 Ca 0.09 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 3ccz h ARG 836 Cb 0.83 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3ccz h ARG 836 CO 0.07 0.90 -0.15 0.37 -1.07 0.00 0.00 179.97 180.09 3ccz h GLN 837 N 0.79 1.00 -0.24 0.04 5.75 -1.12 -1.93 115.11 119.40 3ccz h GLN 837 Ca 0.14 -0.39 -0.11 0.00 -0.15 0.00 0.00 58.65 58.14 3ccz h GLN 837 Cb 0.55 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3ccz h GLN 837 CO 0.03 1.07 -0.31 1.25 -2.65 0.00 0.00 178.83 178.22 3ccz h LEU 838 N 0.88 0.52 -0.81 -2.39 5.85 -1.25 -1.53 115.31 116.57 3ccz h LEU 838 Ca 0.13 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3ccz h LEU 838 Cb 0.72 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3ccz h LEU 838 CO 0.06 0.81 -0.13 0.00 -0.34 0.00 0.00 178.44 178.83 3ccz h ALA 839 N 1.23 1.00 -0.40 1.25 0.00 -1.21 -0.68 119.26 120.44 3ccz h ALA 839 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3ccz h ALA 839 Cb 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3ccz h ALA 839 CO 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.78 3ccz h ARG 840 N 0.67 0.72 -0.28 0.00 3.08 -1.02 -2.07 114.38 115.48 3ccz h ARG 840 Ca 0.11 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 3ccz h ARG 840 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3ccz h ARG 840 CO 0.04 0.82 -0.43 0.82 -1.07 0.00 0.00 179.97 180.15 3ccz h ILE 841 N 0.65 1.29 -0.19 2.04 2.04 -0.92 -1.49 117.51 120.93 3ccz h ILE 841 Ca 0.11 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 3ccz h ILE 841 Cb 0.59 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3ccz h ILE 841 CO 0.04 0.52 0.05 0.58 0.00 0.00 0.00 178.15 179.34 3ccz h VAL 842 N 0.56 1.20 -0.74 1.67 2.07 -0.98 -0.45 116.25 119.59 3ccz h VAL 842 Ca 0.04 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3ccz h VAL 842 Cb 0.97 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3ccz h VAL 842 CO 0.09 0.20 0.27 0.00 0.02 0.00 0.00 177.57 178.15 3ccz h GLY 844 N 1.08 0.92 1.66 0.00 0.00 -1.17 -2.08 103.07 103.49 3ccz h GLY 844 Ca 0.24 -0.76 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 3ccz h GLY 844 CO -0.01 0.69 -0.64 -0.84 0.00 0.00 0.00 176.54 175.74 3ccz h THR 845 N 0.75 1.37 -0.75 4.70 2.02 -0.82 -2.43 112.91 117.75 3ccz h THR 845 Ca 0.11 -2.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 3ccz h THR 845 Cb 0.69 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 3ccz h THR 845 CO 0.05 0.60 0.42 0.58 0.37 0.00 0.00 175.52 177.55 3ccz h VAL 846 N 0.25 1.22 -0.55 3.16 2.07 -0.84 -1.36 116.25 120.20 3ccz h VAL 846 Ca -0.01 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3ccz h VAL 846 Cb 1.18 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ccz h VAL 846 CO 0.11 0.24 0.12 -0.03 0.02 0.00 0.00 177.57 178.03 3ccz h MET 847 N 1.03 0.86 -0.59 1.57 -1.53 -1.17 0.55 114.93 115.64 3ccz h MET 847 Ca 0.26 -0.18 -0.04 0.00 -3.44 0.00 0.00 59.70 56.30 3ccz h MET 847 Cb 0.02 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.92 3ccz h MET 847 CO -0.04 0.78 0.20 0.00 0.14 0.00 0.00 176.91 177.99 3ccz h ALA 848 N 1.31 0.77 -0.41 0.39 0.00 -1.04 -1.59 119.26 118.68 3ccz h ALA 848 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ccz h ALA 848 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ccz h ALA 848 CO 0.00 0.41 -0.11 0.78 0.00 0.00 0.00 179.25 180.34 3ccz h GLY 849 N 0.82 0.79 1.02 0.00 0.00 -0.71 -2.57 103.07 102.43 3ccz h GLY 849 Ca 0.19 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3ccz h GLY 849 CO -0.01 0.54 0.12 0.83 0.00 0.00 0.00 176.54 178.02 3ccz h GLU 850 N 0.67 0.97 -0.59 4.80 4.39 -0.69 -2.26 114.58 121.87 3ccz h GLU 850 Ca 0.12 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3ccz h GLU 850 Cb 0.57 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3ccz h GLU 850 CO 0.04 0.90 0.14 1.25 -1.16 0.00 0.00 179.01 180.18 3ccz h LEU 851 N 0.88 0.89 -0.02 1.33 5.85 -1.06 -1.89 115.31 121.30 3ccz h LEU 851 Ca 0.18 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3ccz h LEU 851 Cb 0.38 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.18 3ccz h LEU 851 CO 0.01 0.89 -0.37 -1.28 -0.34 0.00 0.00 178.44 177.35 3ccz h SER 852 N 0.85 0.36 -0.44 1.25 0.87 -1.41 -2.67 113.55 112.37 3ccz h SER 852 Ca 0.19 -0.73 -0.11 0.00 -1.23 0.00 0.00 61.79 59.90 3ccz h SER 852 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3ccz h SER 852 CO 0.00 1.04 -0.14 0.25 -0.53 0.00 0.00 176.83 177.45 3ccz h LEU 853 N -0.30 0.89 -1.38 2.23 5.85 -1.45 -2.08 115.31 119.07 3ccz h LEU 853 Ca -0.04 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 3ccz h LEU 853 Cb 1.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3ccz h LEU 853 CO 0.07 1.06 -0.02 0.24 -0.34 0.00 0.00 178.44 179.46 3ccz h MET 854 N 0.70 0.39 -0.27 1.25 2.86 -1.44 -1.58 114.93 116.83 3ccz h MET 854 Ca 0.11 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 3ccz h MET 854 Cb 0.69 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3ccz h MET 854 CO 0.05 0.43 -0.39 0.00 1.06 0.00 0.00 176.91 178.06 3ccz h ALA 855 N 1.61 0.80 -0.43 6.32 0.00 -1.27 -1.86 119.26 124.44 3ccz h ALA 855 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3ccz h ALA 855 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ccz h ALA 855 CO 0.01 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 3ccz h ALA 856 N 1.04 0.85 -0.08 0.00 0.00 -0.76 -1.87 119.26 118.45 3ccz h ALA 856 Ca 0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 3ccz h ALA 856 Cb 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ccz h ALA 856 CO 0.08 0.64 -0.75 -0.07 0.00 0.00 0.00 179.25 179.15 3ccz h LEU 857 N 0.74 0.55 -0.54 0.00 3.38 -1.27 -2.59 115.31 115.58 3ccz h LEU 857 Ca 0.11 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 3ccz h LEU 857 Cb 0.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ccz h LEU 857 CO 0.05 1.11 -0.53 0.00 0.09 0.00 0.00 178.44 179.17 3ccz h ALA 858 N 0.87 0.71 0.00 1.53 0.00 -1.26 -3.08 119.26 118.04 3ccz h ALA 858 Ca -0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ccz h ALA 858 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ccz h ALA 858 CO 0.13 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 180.03 3ccz h ALA 859 N 0.99 0.98 0.00 0.00 0.00 -1.37 -3.50 119.26 116.36 3ccz h ALA 859 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ccz h ALA 859 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ccz h ALA 859 CO 0.10 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.78