#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccz n ASN 445 N 0.00 0.52 0.09 2.55 4.13 -1.26 -4.77 115.26 116.52 3ccz n ASN 445 Ca 0.00 0.28 -0.08 0.00 1.68 0.00 0.00 54.58 56.47 3ccz n ASN 445 Cb 0.00 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3ccz n ASN 445 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3ccz h GLU 446 N 0.00 0.18 0.00 3.52 4.39 -2.04 -3.24 114.58 117.39 3ccz h GLU 446 Ca 0.00 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 3ccz h GLU 446 Cb 0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3ccz h GLU 446 CO 0.00 0.92 -0.28 1.49 -1.16 0.00 0.00 179.01 179.98 3ccz h GLU 447 N 0.10 0.00 -0.17 2.33 4.81 -2.02 -3.15 114.58 116.48 3ccz h GLU 447 Ca -0.04 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 3ccz h GLU 447 Cb 1.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 3ccz h GLU 447 CO 0.13 0.28 -0.37 0.00 -0.73 0.00 0.00 179.01 178.32 3ccz h LEU 449 N 0.31 0.52 -0.56 0.00 3.38 -1.69 -3.03 115.31 114.23 3ccz h LEU 449 Ca 0.03 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 3ccz h LEU 449 Cb 0.79 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ccz h LEU 449 CO 0.06 0.98 -0.42 1.56 0.09 0.00 0.00 178.44 180.72 3ccz h GLN 450 N 0.35 0.69 -0.07 1.13 4.20 -1.62 -3.07 115.11 116.72 3ccz h GLN 450 Ca 0.00 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.21 3ccz h GLN 450 Cb 1.11 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3ccz h GLN 450 CO 0.10 0.97 -0.59 0.82 -0.67 0.00 0.00 178.83 179.47 3ccz h ILE 451 N 0.56 1.38 0.00 2.54 2.04 -1.57 -3.08 117.51 119.39 3ccz h ILE 451 Ca 0.04 -1.95 -0.08 0.00 1.00 0.00 0.00 64.86 63.87 3ccz h ILE 451 Cb 0.95 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3ccz h ILE 451 CO 0.09 0.58 -0.37 0.25 0.00 0.00 0.00 178.15 178.69 3ccz h LEU 452 N 0.17 0.00 -1.03 1.44 6.46 -1.48 -2.57 115.31 118.30 3ccz h LEU 452 Ca -0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 3ccz h LEU 452 Cb 1.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 3ccz h LEU 452 CO 0.09 0.37 -0.16 1.23 -0.62 0.00 0.00 178.44 179.35 3ccz h GLY 453 N 1.46 0.54 0.00 3.75 0.00 -1.44 -3.44 103.07 103.94 3ccz h GLY 453 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3ccz h GLY 453 CO 0.05 0.37 0.00 0.70 0.00 0.00 0.00 176.54 177.66 3ccz n ASN 454 N -4.18 0.00 -0.43 0.19 3.02 -1.17 -5.15 115.26 107.55 3ccz n ASN 454 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3ccz n ASN 454 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 3ccz n ASN 454 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ccz n GLY 458 N 1.55 4.03 0.24 7.41 0.00 -0.98 -5.17 105.19 112.27 3ccz n GLY 458 Ca 0.00 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.84 3ccz n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz h ALA 459 N 1.31 1.00 -0.17 4.61 0.00 -1.82 -3.25 119.26 120.94 3ccz h ALA 459 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ccz h ALA 459 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ccz h ALA 459 CO 0.00 0.01 -0.21 -0.22 0.00 0.00 0.00 179.25 178.83 3ccz h LYS 460 N 0.00 0.30 -0.05 0.00 3.64 -1.96 -2.87 116.57 115.63 3ccz h LYS 460 Ca -0.00 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 3ccz h LYS 460 Cb 0.82 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3ccz h LYS 460 CO 0.00 0.51 -0.61 0.74 -2.27 0.00 0.00 179.45 177.82 3ccz h PHE 461 N 0.27 0.22 -4.12 1.91 -1.00 -1.95 -3.44 116.94 108.83 3ccz h PHE 461 Ca 0.05 -0.09 -0.48 0.00 2.81 0.00 0.00 57.97 60.26 3ccz h PHE 461 Cb 0.54 -0.04 0.04 0.00 3.61 0.00 0.00 35.95 40.10 3ccz h PHE 461 CO 0.01 0.74 0.38 -0.51 -1.61 0.00 0.00 178.31 177.32 3ccz s LEU 462 N -7.84 3.71 0.69 1.54 1.43 -1.08 -5.07 118.68 112.06 3ccz s LEU 462 Ca -0.03 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 3ccz s LEU 462 Cb 0.12 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.91 3ccz s LEU 462 CO 0.79 -0.93 0.95 -0.94 0.23 0.00 0.00 176.35 176.45 3ccz s SER 463 N -2.30 4.50 0.11 2.29 1.04 -1.26 -5.00 113.70 113.07 3ccz s SER 463 Ca 0.66 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 3ccz s SER 463 Cb -0.16 -0.02 -0.07 0.00 0.10 0.00 0.00 66.02 65.87 3ccz s SER 463 CO 0.27 -1.75 1.43 0.44 0.98 0.00 0.00 173.24 174.61 3ccz h ASP 464 N -0.40 0.83 0.84 7.02 5.19 -1.97 -3.17 116.42 124.76 3ccz h ASP 464 Ca -0.36 -0.47 -0.05 0.00 -0.62 0.00 0.00 57.03 55.53 3ccz h ASP 464 Cb 1.27 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3ccz h ASP 464 CO 0.41 1.13 -0.23 0.00 -3.12 0.00 0.00 179.24 177.43 3ccz h ALA 465 N 0.72 1.05 -0.08 3.45 0.00 -2.00 -3.04 119.26 119.36 3ccz h ALA 465 Ca 0.05 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 465 Cb 0.90 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ccz h ALA 465 CO 0.08 0.29 -0.89 0.93 0.00 0.00 0.00 179.25 179.66 3ccz h GLU 466 N 0.00 0.70 -0.16 0.00 5.08 -1.95 -2.84 114.58 115.42 3ccz h GLU 466 Ca -0.00 -0.65 -0.14 0.00 -1.00 0.00 0.00 59.36 57.57 3ccz h GLU 466 Cb 0.71 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3ccz h GLU 466 CO 0.03 1.25 -0.49 0.82 -1.00 0.00 0.00 179.01 179.62 3ccz h ILE 467 N 0.44 1.33 -0.03 3.13 2.04 -1.53 -2.88 117.51 120.01 3ccz h ILE 467 Ca -0.08 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 3ccz h ILE 467 Cb 1.53 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3ccz h ILE 467 CO 0.18 0.53 -0.41 0.40 0.00 0.00 0.00 178.15 178.84 3ccz h ILE 468 N 0.34 1.30 -0.32 -0.67 2.04 -1.58 -3.00 117.51 115.62 3ccz h ILE 468 Ca 0.02 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 3ccz h ILE 468 Cb 0.99 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 3ccz h ILE 468 CO 0.09 0.42 -0.14 -0.61 0.00 0.00 0.00 178.15 177.91 3ccz h GLN 469 N 0.05 0.55 -0.14 2.37 4.15 -1.28 -3.00 115.11 117.82 3ccz h GLN 469 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 3ccz h GLN 469 Cb 0.75 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3ccz h GLN 469 CO 0.06 0.68 0.02 -0.07 -1.93 0.00 0.00 178.83 177.58 3ccz h LEU 470 N 0.51 0.23 0.00 -2.39 4.07 -1.47 -3.52 115.31 112.73 3ccz h LEU 470 Ca 0.09 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3ccz h LEU 470 Cb 0.54 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3ccz h LEU 470 CO 0.03 0.44 0.00 0.52 -1.08 0.00 0.00 178.44 178.36 3ccz n VAL 471 N -4.80 0.00 0.07 1.22 0.31 -1.14 -5.15 118.33 108.84 3ccz n VAL 471 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3ccz n VAL 471 Cb 0.19 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3ccz n VAL 471 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ccz n GLU 482 N 0.00 0.00 0.09 5.55 4.07 -1.26 -5.04 120.64 124.05 3ccz n GLU 482 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 3ccz n GLU 482 Cb 0.00 -0.18 -0.03 0.00 -0.06 0.00 0.00 31.44 31.17 3ccz n GLU 482 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3ccz h THR 483 N 0.00 0.78 -0.04 6.31 1.35 -1.98 -3.36 112.91 115.96 3ccz h THR 483 Ca 0.00 -2.23 -0.02 0.00 -0.55 0.00 0.00 66.41 63.61 3ccz h THR 483 Cb 0.14 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3ccz h THR 483 CO 0.00 0.44 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.61 3ccz h LEU 484 N 0.00 0.11-10.09 3.87 4.07 -2.03 -3.44 115.31 107.79 3ccz h LEU 484 Ca -0.07 -0.45 -0.47 0.00 0.08 0.00 0.00 57.88 56.96 3ccz h LEU 484 Cb 1.51 -0.03 0.03 0.00 1.08 0.00 0.00 40.66 43.25 3ccz h LEU 484 CO 0.06 0.54 0.38 -0.63 -1.08 0.00 0.00 178.44 177.71 3ccz s ILE 485 N -4.39 3.86 -0.03 1.22 1.01 -1.26 -4.59 121.20 117.02 3ccz s ILE 485 Ca -0.15 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 3ccz s ILE 485 Cb 0.03 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3ccz s ILE 485 CO 0.70 -0.30 0.45 -0.33 0.00 0.00 0.00 174.94 175.45 3ccz h GLU 486 N 1.40 -0.26 -6.58 2.79 3.07 -1.87 -3.47 114.58 109.66 3ccz h GLU 486 Ca -0.49 0.02 -0.47 0.00 -0.50 0.00 0.00 59.36 57.92 3ccz h GLU 486 Cb 1.22 0.06 0.02 0.00 -0.84 0.00 0.00 28.75 29.20 3ccz h GLU 486 CO 0.59 -0.17 -0.16 0.95 -1.40 0.00 0.00 179.01 178.82 3ccz s THR 487 N -2.47 4.56 0.07 1.13 -4.23 -1.26 -5.03 115.64 108.40 3ccz s THR 487 Ca -0.04 -0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 3ccz s THR 487 Cb 0.00 -3.67 -0.29 0.00 1.34 0.00 0.00 72.50 69.88 3ccz s THR 487 CO 0.12 -0.44 1.11 0.45 -0.54 0.00 0.00 174.62 175.33 3ccz h HIS 488 N 0.61 0.77 -0.14 3.99 3.86 -1.93 -3.17 115.15 119.15 3ccz h HIS 488 Ca -0.48 -0.53 -0.10 0.00 -1.16 0.00 0.00 60.37 58.10 3ccz h HIS 488 Cb 1.24 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 3ccz h HIS 488 CO 0.48 1.39 -0.37 1.49 0.86 0.00 0.00 177.93 181.78 3ccz h GLU 489 N 0.16 0.30 -0.34 2.45 4.81 -1.96 -2.80 114.58 117.20 3ccz h GLU 489 Ca -0.18 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3ccz h GLU 489 Cb 1.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 3ccz h GLU 489 CO 0.23 0.63 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.83 3ccz h ARG 490 N 0.25 0.64 -0.20 1.92 2.43 -1.98 -2.80 114.38 114.65 3ccz h ARG 490 Ca 0.03 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3ccz h ARG 490 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3ccz h ARG 490 CO 0.06 0.81 -0.15 0.78 -1.51 0.00 0.00 179.97 179.96 3ccz h GLY 491 N 0.99 0.35 1.71 2.80 0.00 -1.47 -2.77 103.07 104.69 3ccz h GLY 491 Ca 0.08 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3ccz h GLY 491 CO 0.05 0.22 -0.65 -2.08 0.00 0.00 0.00 176.54 174.08 3ccz h VAL 492 N 0.31 1.39 -0.35 4.60 2.07 -1.36 -2.93 116.25 119.98 3ccz h VAL 492 Ca 0.06 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.42 3ccz h VAL 492 Cb 0.46 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3ccz h VAL 492 CO 0.03 0.61 -0.16 -1.28 0.02 0.00 0.00 177.57 176.79 3ccz h SER 493 N 0.21 0.75 -0.06 0.57 0.87 -1.24 -2.21 113.55 112.45 3ccz h SER 493 Ca -0.01 -0.40 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 3ccz h SER 493 Cb 1.18 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3ccz h SER 493 CO 0.10 0.99 -0.28 0.40 -0.53 0.00 0.00 176.83 177.51 3ccz h ILE 494 N 0.52 1.27 -0.03 2.23 5.03 -1.56 -2.67 117.51 122.31 3ccz h ILE 494 Ca 0.08 -1.34 -0.10 0.00 -0.12 0.00 0.00 64.86 63.39 3ccz h ILE 494 Cb 0.70 1.39 -0.01 0.00 -3.03 0.00 0.00 36.82 35.86 3ccz h ILE 494 CO 0.05 0.43 -0.43 -0.09 -0.68 0.00 0.00 178.15 177.43 3ccz h ARG 495 N 0.45 0.06 -0.04 2.37 2.43 -1.42 -2.70 114.38 115.53 3ccz h ARG 495 Ca 0.06 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 3ccz h ARG 495 Cb 0.72 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3ccz h ARG 495 CO 0.06 0.48 -0.75 0.00 -1.51 0.00 0.00 179.97 178.25 3ccz h ARG 496 N 0.05 0.24 -0.15 0.20 3.08 -1.15 -2.65 114.38 113.99 3ccz h ARG 496 Ca 0.00 -0.21 -0.22 0.00 0.07 0.00 0.00 59.98 59.62 3ccz h ARG 496 Cb 0.78 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.89 3ccz h ARG 496 CO 0.06 0.88 -0.78 1.96 -1.07 0.00 0.00 179.97 181.02 3ccz h GLN 497 N 0.16 0.78 -0.55 0.04 4.20 -1.35 -2.07 115.11 116.32 3ccz h GLN 497 Ca -0.03 -0.64 -0.08 0.00 0.06 0.00 0.00 58.65 57.97 3ccz h GLN 497 Cb 1.32 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.21 3ccz h GLN 497 CO 0.12 1.24 0.04 -0.07 -0.67 0.00 0.00 178.83 179.49 3ccz h LEU 498 N 0.54 0.88 -0.74 1.46 3.38 -1.54 -3.03 115.31 116.25 3ccz h LEU 498 Ca -0.05 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 3ccz h LEU 498 Cb 1.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3ccz h LEU 498 CO 0.16 0.92 -0.38 0.25 0.09 0.00 0.00 178.44 179.48 3ccz h LEU 499 N 0.86 0.53 -1.03 1.67 5.85 -1.44 -3.26 115.31 118.49 3ccz h LEU 499 Ca 0.17 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3ccz h LEU 499 Cb 0.46 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ccz h LEU 499 CO 0.02 0.87 -0.06 0.77 -0.34 0.00 0.00 178.44 179.69 3ccz h SER 500 N 0.42 0.59 0.82 1.25 4.64 -1.25 -2.35 113.55 117.69 3ccz h SER 500 Ca 0.04 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 3ccz h SER 500 Cb 0.86 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3ccz h SER 500 CO 0.07 0.71 -0.28 0.11 -0.87 0.00 0.00 176.83 176.57 3ccz h LYS 501 N 0.58 0.00 0.00 4.77 1.57 -1.60 -2.93 116.57 118.96 3ccz h LYS 501 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3ccz h LYS 501 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3ccz h LYS 501 CO 0.02 0.28 -0.53 0.87 -0.57 0.00 0.00 179.45 179.53 3ccz h LYS 502 N 0.00 0.00 -6.96 3.15 1.57 -1.51 -3.46 116.57 109.36 3ccz h LYS 502 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 3ccz h LYS 502 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3ccz h LYS 502 CO 0.04 0.53 0.37 -0.51 -0.57 0.00 0.00 179.45 179.30 3ccz s LEU 503 N -6.61 4.16 0.37 2.94 1.43 -1.08 -4.96 118.68 114.93 3ccz s LEU 503 Ca 0.03 1.88 0.09 0.00 -1.03 0.00 0.00 54.13 55.09 3ccz s LEU 503 Cb 0.08 -4.21 0.71 0.00 0.03 0.00 0.00 46.19 42.80 3ccz s LEU 503 CO 0.74 -0.30 1.87 0.77 0.23 0.00 0.00 176.35 179.65 3ccz h SER 504 N 2.60 0.23 -4.03 2.29 4.64 -1.89 -3.33 113.55 114.06 3ccz h SER 504 Ca -0.48 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.13 3ccz h SER 504 Cb 1.20 -0.06 -0.40 0.00 -0.31 0.00 0.00 62.40 62.82 3ccz h SER 504 CO 0.63 0.44 -0.66 -0.70 -0.87 0.00 0.00 176.83 175.67 3ccz s GLU 505 N -4.61 1.77 0.60 4.77 2.56 -1.26 -4.99 118.70 117.55 3ccz s GLU 505 Ca -0.05 -2.26 0.35 0.00 0.00 0.00 0.00 54.97 53.00 3ccz s GLU 505 Cb 0.15 -3.29 1.91 0.00 2.00 0.00 0.00 34.13 34.90 3ccz s GLU 505 CO 0.74 -1.03 2.07 -1.35 -0.56 0.00 0.00 175.26 175.13 3ccz h PRO 506 N 7.06 0.00 -0.34 4.30 0.11 -1.70 -2.35 132.00 139.08 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 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ccz h PRO 506 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 3ccz n SER 507 N -2.85 1.21 -0.09 -2.05 3.41 -1.26 -4.06 113.62 107.92 3ccz n SER 507 Ca -0.02 -2.05 -0.08 0.00 -0.26 0.00 0.00 58.87 56.46 3ccz n SER 507 Cb 0.18 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.01 0.81 0.40 4.04 0.02 -1.83 -3.13 113.55 114.87 3ccz h SER 508 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3ccz h SER 508 Cb 0.38 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ccz h SER 508 CO 0.03 1.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.90 3ccz n LEU 509 N -4.11 0.00 -0.20 5.07 4.77 -1.26 -4.19 117.00 117.07 3ccz n LEU 509 Ca 0.00 0.20 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 3ccz n LEU 509 Cb 0.43 -0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.44 3ccz n LEU 509 CO 0.45 -0.00 0.94 -0.61 -1.33 0.00 0.00 177.39 176.84 3ccz h GLN 510 N 0.00 0.30 -0.04 3.23 4.15 -1.83 -2.65 115.11 118.27 3ccz h GLN 510 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ccz h GLN 510 Cb 0.20 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ccz h GLN 510 CO 0.00 0.20 0.00 0.66 -1.93 0.00 0.00 178.83 177.76 3ccz n TYR 511 N -5.09 0.02 -2.60 3.99 4.02 -1.26 -4.78 117.16 111.46 3ccz n TYR 511 Ca 0.09 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.90 57.55 3ccz n TYR 511 Cb 0.32 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.62 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 -1.96 3.64 0.70 7.72 2.96 -1.00 -5.03 118.68 125.72 3ccz s LEU 512 Ca 0.28 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 3ccz s LEU 512 Cb 0.20 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.35 3ccz s LEU 512 CO 0.30 -1.24 1.06 -2.16 -1.32 0.00 0.00 176.35 172.99 3ccz s PRO 513 N 4.43 2.94 0.00 0.98 0.04 -1.26 -4.90 135.00 137.24 3ccz s PRO 513 Ca 0.48 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3ccz s PRO 513 Cb -0.07 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ccz s PRO 513 CO 0.31 -1.07 0.00 2.48 0.04 0.00 0.00 177.00 178.76 3ccz n TYR 514 N -3.10 0.00 -1.94 0.56 0.18 -1.26 -1.90 117.16 109.70 3ccz n TYR 514 Ca 0.07 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.50 3ccz n TYR 514 Cb 0.54 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.54 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 -1.00 2.89 -1.59 -3.48 0.52 -1.26 -3.68 118.95 111.36 3ccz s ARG 515 Ca 0.00 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 3ccz s ARG 515 Cb 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.54 3ccz s ARG 515 CO 0.00 -1.25 0.00 -0.25 0.02 0.00 0.00 175.30 173.82 3ccz n ASP 516 N -1.78 -5.16 -4.58 0.23 8.00 -1.26 -5.01 116.55 106.99 3ccz n ASP 516 Ca 0.13 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 3ccz n ASP 516 Cb 0.50 -4.23 -0.11 0.00 -0.02 0.00 0.00 41.12 37.26 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 -2.83 2.87 -0.98 1.24 5.04 -1.24 -5.06 117.35 116.39 3ccz s TYR 517 Ca 0.00 -0.04 -0.24 0.00 -2.44 0.00 0.00 57.07 54.35 3ccz s TYR 517 Cb 0.00 -1.62 0.04 0.00 0.35 0.00 0.00 41.96 40.73 3ccz s TYR 517 CO 0.00 0.35 1.47 1.21 -1.34 0.00 0.00 175.55 177.24 3ccz s ASN 518 N -1.26 6.36 0.00 4.32 2.47 -1.26 -4.81 114.94 120.76 3ccz s ASN 518 Ca 0.16 -1.27 0.30 0.00 0.42 0.00 0.00 52.86 52.46 3ccz s ASN 518 Cb -0.11 -2.57 1.39 0.00 -1.45 0.00 0.00 41.25 38.51 3ccz s ASN 518 CO 0.06 -1.64 1.96 -1.22 -3.72 0.00 0.00 177.10 172.54 3ccz n TYR 519 N 9.32 0.00 -0.09 0.43 4.02 -1.26 -3.98 117.16 125.60 3ccz n TYR 519 Ca 0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.16 3ccz n TYR 519 Cb 0.51 -0.17 0.21 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.43 0.68 0.66 7.72 4.64 -1.94 -1.99 113.55 123.75 3ccz h SER 520 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3ccz h SER 520 Cb 0.29 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3ccz h SER 520 CO 0.00 0.72 -0.51 0.18 -0.87 0.00 0.00 176.83 176.35 3ccz n LEU 521 N -4.26 0.53 -0.05 5.97 4.77 -1.26 -4.14 117.00 118.56 3ccz n LEU 521 Ca 0.03 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 3ccz n LEU 521 Cb 0.25 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3ccz n LEU 521 CO 0.40 0.05 -0.90 0.52 -1.33 0.00 0.00 177.39 176.14 3ccz n VAL 522 N -1.71 1.58 -2.30 4.08 0.31 -1.09 -4.51 118.33 114.69 3ccz n VAL 522 Ca 0.05 -0.74 -0.42 0.00 -0.01 0.00 0.00 64.34 63.22 3ccz n VAL 522 Cb 0.37 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.55 4.34 -0.92 5.55 -1.94 -0.77 -1.92 119.30 121.09 3ccz s MET 523 Ca -0.16 1.89 -0.02 0.00 -1.71 0.00 0.00 55.69 55.70 3ccz s MET 523 Cb 0.07 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.48 3ccz s MET 523 CO 0.77 -0.44 0.25 0.41 -0.01 0.00 0.00 175.02 176.00 3ccz n GLY 524 N 3.45 -0.04 2.03 -0.03 0.00 -1.26 -4.80 105.19 104.55 3ccz n GLY 524 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 0.12 -0.00 4.61 0.00 -1.17 -5.04 120.51 116.59 3ccz n ALA 525 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ccz n ALA 525 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.11 1.58 -1.46 0.00 8.01 -1.26 -4.37 118.70 120.08 3ccz s GLU 528 Ca -0.11 -1.77 -0.07 0.00 0.01 0.00 0.00 54.97 53.03 3ccz s GLU 528 Cb -0.02 -1.35 0.05 0.00 -4.31 0.00 0.00 34.13 28.50 3ccz s GLU 528 CO 0.08 0.14 0.75 0.09 0.01 0.00 0.00 175.26 176.32 3ccz n ASN 529 N -0.59 -2.53 -4.70 -0.19 3.02 -1.26 -4.87 115.26 104.15 3ccz n ASN 529 Ca -0.06 -0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 3ccz n ASN 529 Cb 0.62 -3.59 -0.03 0.00 -0.61 0.00 0.00 39.78 36.17 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 -3.56 4.03 -0.08 2.41 1.01 -1.26 -4.92 120.40 118.04 3ccz s VAL 530 Ca 0.33 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.76 3ccz s VAL 530 Cb -0.17 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.36 3ccz s VAL 530 CO 0.85 0.05 1.04 2.30 0.00 0.00 0.00 175.10 179.34 3ccz n ILE 531 N 4.32 1.11 0.00 2.22 -5.35 -1.26 -4.65 119.36 115.75 3ccz n ILE 531 Ca 0.11 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 3ccz n ILE 531 Cb 0.46 0.41 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 -0.53 0.44 3.22 3.28 0.00 -1.26 -4.82 105.19 105.52 3ccz n GLY 532 Ca 0.03 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.00 0.16 -0.32 1.61 -0.85 -0.80 -4.96 117.35 108.19 3ccz s TYR 533 Ca 0.00 -0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 55.95 3ccz s TYR 533 Cb 0.00 -0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.36 3ccz s TYR 533 CO 0.00 -0.57 0.04 1.41 -1.52 0.00 0.00 175.55 174.91 3ccz s MET 534 N -3.87 2.34 -0.21 -3.49 -2.45 -1.26 -4.16 119.30 106.21 3ccz s MET 534 Ca 0.06 -1.36 -0.29 0.00 -1.25 0.00 0.00 55.69 52.85 3ccz s MET 534 Cb 0.05 -3.25 -0.01 0.00 1.25 0.00 0.00 34.83 32.86 3ccz s MET 534 CO -0.10 -0.70 1.36 -1.25 1.05 0.00 0.00 175.02 175.38 3ccz s PRO 535 N 1.23 4.06 -0.24 4.11 0.04 -1.26 -5.01 135.00 137.93 3ccz s PRO 535 Ca -0.03 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 3ccz s PRO 535 Cb -0.20 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 3ccz s PRO 535 CO -0.02 -0.94 0.10 0.42 0.04 0.00 0.00 177.00 176.60 3ccz s ILE 536 N 4.09 4.62 0.18 0.56 -1.09 -1.26 -5.07 121.20 123.23 3ccz s ILE 536 Ca 0.59 -0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 58.61 3ccz s ILE 536 Cb -0.22 -3.15 -0.14 0.00 -1.58 0.00 0.00 42.46 37.37 3ccz s ILE 536 CO 0.21 0.34 1.41 -2.65 -1.23 0.00 0.00 174.94 173.02 3ccz n PRO 537 N 4.71 1.82 -4.15 2.79 -0.02 -1.26 -4.77 135.00 134.12 3ccz n PRO 537 Ca -0.16 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 3ccz n PRO 537 Cb 0.52 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.29 3.12 0.46 -1.45 1.01 -1.26 -1.49 120.40 121.08 3ccz s VAL 538 Ca 0.74 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3ccz s VAL 538 Cb -0.73 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3ccz s VAL 538 CO 0.46 0.47 0.28 -0.83 0.00 0.00 0.00 175.10 175.47 3ccz s GLY 539 N 1.16 2.36 -0.06 4.51 0.00 -0.59 -4.92 107.32 109.77 3ccz s GLY 539 Ca 0.02 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.09 3ccz s GLY 539 CO -0.02 -1.90 -0.16 0.54 0.00 0.00 0.00 173.10 171.56 3ccz s VAL 540 N -2.65 1.38 -0.17 1.40 0.11 -1.26 -1.25 120.40 117.97 3ccz s VAL 540 Ca 0.38 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 3ccz s VAL 540 Cb 0.00 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 3ccz s VAL 540 CO 0.22 0.41 -0.19 0.00 -3.33 0.00 0.00 175.10 172.20 3ccz s ALA 541 N 0.33 2.34 0.00 1.54 0.00 -0.78 -4.94 121.76 120.26 3ccz s ALA 541 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3ccz s ALA 541 Cb -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.81 3ccz s ALA 541 CO 0.04 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3ccz n GLY 542 N 4.47 -1.96 3.76 0.00 0.00 -1.26 -1.71 105.19 108.48 3ccz n GLY 542 Ca -0.21 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.80 4.59 -0.45 1.61 0.04 -1.26 -4.93 135.00 132.81 3ccz s PRO 543 Ca 0.00 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 3ccz s PRO 543 Cb 0.00 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.39 3ccz s PRO 543 CO 0.00 0.13 0.61 -1.17 0.04 0.00 0.00 177.00 176.62 3ccz s LEU 544 N -1.41 4.61 -0.64 -3.56 2.96 0.03 -4.65 118.68 116.02 3ccz s LEU 544 Ca 0.46 -0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 53.65 3ccz s LEU 544 Cb -0.33 -2.64 0.04 0.00 0.50 0.00 0.00 46.19 43.76 3ccz s LEU 544 CO 0.42 -0.77 1.11 0.00 -1.32 0.00 0.00 176.35 175.80 3ccz s LEU 546 N 4.78 0.70 -1.28 0.00 2.96 -0.75 -1.06 118.68 124.04 3ccz s LEU 546 Ca 0.33 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3ccz s LEU 546 Cb -0.11 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.08 3ccz s LEU 546 CO 0.18 -0.19 0.83 0.47 -1.32 0.00 0.00 176.35 176.32 3ccz n ASP 547 N 5.11 -1.77 -1.57 3.68 8.00 -0.63 -2.20 116.55 127.17 3ccz n ASP 547 Ca -0.08 -0.74 -0.18 0.00 0.71 0.00 0.00 54.79 54.50 3ccz n ASP 547 Cb 0.50 -4.47 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 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 -4.26 -1.30 -4.52 -1.24 1.02 -1.26 -4.99 120.64 104.10 3ccz n GLU 548 Ca -0.27 1.05 -0.25 0.00 -0.02 0.00 0.00 57.16 57.66 3ccz n GLU 548 Cb 0.67 -5.37 -0.09 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.94 1.84 -0.05 3.49 1.02 -0.93 -5.16 119.74 116.01 3ccz s LYS 549 Ca 0.00 -2.09 0.02 0.00 0.02 0.00 0.00 55.97 53.92 3ccz s LYS 549 Cb 0.00 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.50 3ccz s LYS 549 CO 0.00 -0.34 -0.09 -1.21 -0.92 0.00 0.00 175.35 172.79 3ccz s GLU 550 N -3.80 1.29 -0.03 1.68 2.02 -1.26 -1.82 118.70 116.78 3ccz s GLU 550 Ca 0.27 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.04 3ccz s GLU 550 Cb 0.05 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.13 3ccz s GLU 550 CO 0.14 0.00 -0.22 -0.06 0.02 0.00 0.00 175.26 175.14 3ccz s PHE 551 N 0.68 2.07 -0.43 1.61 0.40 -0.76 -4.90 117.98 116.65 3ccz s PHE 551 Ca -0.12 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 3ccz s PHE 551 Cb -0.14 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.10 3ccz s PHE 551 CO 0.02 -0.10 0.30 -0.65 0.70 0.00 0.00 175.22 175.49 3ccz s GLN 552 N -0.34 2.82 -0.33 0.44 -1.52 -1.26 -0.79 119.66 118.68 3ccz s GLN 552 Ca 0.04 -1.30 -0.18 0.00 -1.95 0.00 0.00 55.36 51.96 3ccz s GLN 552 Cb -0.10 -3.92 -0.01 0.00 -0.22 0.00 0.00 33.01 28.76 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 1.55 5.01 0.26 1.09 1.01 -0.69 -4.60 120.40 124.03 3ccz s VAL 553 Ca 0.03 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 3ccz s VAL 553 Cb -0.22 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3ccz s VAL 553 CO 0.05 -0.15 1.01 -2.16 0.00 0.00 0.00 175.10 173.85 3ccz s PRO 554 N 2.42 4.76 -0.20 2.72 0.04 -1.26 -1.87 135.00 141.62 3ccz s PRO 554 Ca 0.20 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 3ccz s PRO 554 Cb -0.15 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.21 3ccz s PRO 554 CO 0.12 0.38 0.10 -1.64 0.04 0.00 0.00 177.00 176.01 3ccz s MET 555 N -1.28 0.09 -0.38 4.56 -1.94 -0.38 -4.30 119.30 115.68 3ccz s MET 555 Ca 0.43 -0.18 -0.22 0.00 -1.71 0.00 0.00 55.69 54.00 3ccz s MET 555 Cb -0.29 -1.67 0.01 0.00 2.01 0.00 0.00 34.83 34.89 3ccz s MET 555 CO 0.36 -0.75 0.74 0.00 -0.01 0.00 0.00 175.02 175.36 3ccz s ALA 556 N 2.13 3.41 0.12 3.03 0.00 -0.37 -1.55 121.76 128.53 3ccz s ALA 556 Ca 0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 3ccz s ALA 556 Cb -0.16 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.69 3ccz s ALA 556 CO -0.15 -1.53 0.52 -0.08 0.00 0.00 0.00 175.76 174.52 3ccz s THR 557 N 3.01 0.03 -0.14 0.00 -1.32 -0.55 -4.31 115.64 112.36 3ccz s THR 557 Ca 0.29 -0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.62 3ccz s THR 557 Cb -0.13 -1.05 0.15 0.00 -1.51 0.00 0.00 72.50 69.96 3ccz s THR 557 CO 0.17 -0.13 1.10 0.35 -2.21 0.00 0.00 174.62 173.90 3ccz n THR 558 N -0.11 1.36 -3.14 5.08 -2.24 -1.26 -4.15 114.28 109.82 3ccz n THR 558 Ca -0.17 -1.45 -0.40 0.00 -2.27 0.00 0.00 64.05 59.76 3ccz n THR 558 Cb 0.63 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.70 4.07 0.38 -0.78 2.12 -1.26 -5.04 118.70 116.50 3ccz s GLU 559 Ca 0.15 0.45 -0.27 0.00 0.36 0.00 0.00 54.97 55.65 3ccz s GLU 559 Cb 0.12 -3.66 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 3ccz s GLU 559 CO 0.03 -0.42 1.42 0.20 -0.54 0.00 0.00 175.26 175.95 3ccz s GLY 560 N 1.52 2.95 0.00 -1.50 0.00 -1.26 -3.01 107.32 106.02 3ccz s GLY 560 Ca 0.25 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.42 3ccz s GLY 560 CO 0.09 2.11 0.00 0.00 0.00 0.00 0.00 173.10 175.30 3ccz h LEU 562 N 0.00 0.32 -0.35 0.00 5.85 -1.97 -0.76 115.31 118.40 3ccz h LEU 562 Ca 0.00 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 3ccz h LEU 562 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3ccz h LEU 562 CO 0.00 0.62 -0.06 0.58 -0.34 0.00 0.00 178.44 179.24 3ccz h VAL 563 N 0.02 1.27 -0.41 1.05 2.07 -1.91 -1.57 116.25 116.77 3ccz h VAL 563 Ca 0.04 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 3ccz h VAL 563 Cb 0.48 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3ccz h VAL 563 CO 0.02 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 177.94 3ccz h ALA 564 N 0.83 1.19 -0.16 1.67 0.00 -1.92 0.12 119.26 120.98 3ccz h ALA 564 Ca 0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3ccz h ALA 564 Cb 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ccz h ALA 564 CO 0.03 0.53 -0.40 1.03 0.00 0.00 0.00 179.25 180.44 3ccz h SER 565 N 0.64 0.64 -0.27 0.00 0.87 -1.06 -2.03 113.55 112.33 3ccz h SER 565 Ca 0.13 -0.57 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3ccz h SER 565 Cb 0.43 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3ccz h SER 565 CO 0.02 1.09 0.08 0.74 -0.53 0.00 0.00 176.83 178.24 3ccz h THR 566 N 0.21 1.16 -0.21 2.23 2.02 -1.13 -2.08 112.91 115.11 3ccz h THR 566 Ca -0.00 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 3ccz h THR 566 Cb 1.01 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3ccz h THR 566 CO 0.09 0.21 -0.29 -1.13 0.37 0.00 0.00 175.52 174.77 3ccz h ASN 567 N 0.50 0.43 -0.33 4.18 -1.24 -0.82 -1.92 115.58 116.37 3ccz h ASN 567 Ca 0.12 -0.15 -0.14 0.00 0.71 0.00 0.00 56.30 56.83 3ccz h ASN 567 Cb 0.20 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 3ccz h ASN 567 CO -0.00 0.71 -0.33 -0.09 -1.29 0.00 0.00 177.43 176.42 3ccz h ARG 568 N 0.37 0.87 -0.48 6.67 2.43 -0.76 -2.27 114.38 121.20 3ccz h ARG 568 Ca 0.05 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3ccz h ARG 568 Cb 0.70 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3ccz h ARG 568 CO 0.05 1.06 0.07 0.78 -1.51 0.00 0.00 179.97 180.43 3ccz h GLY 569 N 0.88 0.81 1.04 2.80 0.00 -1.14 -2.29 103.07 105.17 3ccz h GLY 569 Ca 0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3ccz h GLY 569 CO 0.08 0.45 0.13 0.00 0.00 0.00 0.00 176.54 177.20 3ccz h ARG 571 N 0.94 1.04 -0.47 0.00 9.65 -1.03 -0.97 114.38 123.54 3ccz h ARG 571 Ca 0.20 -0.16 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3ccz h ARG 571 Cb 0.39 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3ccz h ARG 571 CO 0.01 0.82 0.07 0.00 2.80 0.00 0.00 179.97 183.66 3ccz h ALA 572 N 1.32 0.63 -0.51 2.80 0.00 -1.28 -2.56 119.26 119.66 3ccz h ALA 572 Ca 0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ccz h ALA 572 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ccz h ALA 572 CO -0.03 0.37 -0.00 0.82 0.00 0.00 0.00 179.25 180.41 3ccz h ILE 573 N 0.66 1.25 -0.09 0.00 2.04 -1.09 -2.99 117.51 117.29 3ccz h ILE 573 Ca 0.14 -1.04 -0.15 0.00 1.00 0.00 0.00 64.86 64.80 3ccz h ILE 573 Cb 0.40 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ccz h ILE 573 CO 0.01 0.37 -0.61 1.23 0.00 0.00 0.00 178.15 179.15 3ccz h GLY 574 N 0.99 0.35 1.97 5.37 0.00 -1.04 -2.12 103.07 108.58 3ccz h GLY 574 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3ccz h GLY 574 CO 0.02 0.39 -0.02 1.04 0.00 0.00 0.00 176.54 177.98 3ccz n LEU 575 N -3.88 0.38 -1.72 3.11 4.77 -0.98 -3.79 117.00 114.89 3ccz n LEU 575 Ca -0.03 0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3ccz n LEU 575 Cb 0.63 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 41.57 3ccz n LEU 575 CO 0.45 -0.08 0.97 0.61 -1.33 0.00 0.00 177.39 178.02 3ccz n GLY 576 N 1.41 4.11 1.52 -0.72 0.00 -1.05 -4.89 105.19 105.58 3ccz n GLY 576 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.57 2.08 0.00 -0.02 0.00 -1.24 -4.56 105.19 100.88 3ccz n GLY 577 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.00 1.90 3.96 -0.02 0.00 -0.82 -5.01 105.19 103.20 3ccz n GLY 578 Ca 0.00 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.59 3.89 -0.02 4.61 0.00 -0.22 -4.60 121.76 122.83 3ccz s ALA 579 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.84 3ccz s ALA 579 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3ccz s ALA 579 CO 0.00 0.04 -0.08 -1.12 0.00 0.00 0.00 175.76 174.60 3ccz s SER 580 N -4.06 1.10 0.14 0.00 0.01 -0.59 -1.60 113.70 108.71 3ccz s SER 580 Ca 0.39 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.53 3ccz s SER 580 Cb -0.09 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 3ccz s SER 580 CO 0.33 0.06 -0.11 -0.94 0.41 0.00 0.00 173.24 172.99 3ccz s SER 581 N 0.15 1.83 -0.06 2.44 1.04 -1.26 -1.46 113.70 116.39 3ccz s SER 581 Ca -0.02 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 3ccz s SER 581 Cb -0.08 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.05 3ccz s SER 581 CO 0.00 -0.28 0.13 -0.13 0.98 0.00 0.00 173.24 173.94 3ccz s ARG 582 N -3.42 0.09 -0.23 4.02 1.81 -0.56 -5.00 118.95 115.66 3ccz s ARG 582 Ca 0.14 0.31 -0.26 0.00 -1.72 0.00 0.00 55.73 54.20 3ccz s ARG 582 Cb 0.00 -0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.37 3ccz s ARG 582 CO 0.01 -0.13 0.90 0.08 -0.68 0.00 0.00 175.30 175.48 3ccz s VAL 583 N 0.94 4.78 -0.09 3.52 1.01 -1.26 -1.94 120.40 127.36 3ccz s VAL 583 Ca -0.07 1.74 0.13 0.00 0.00 0.00 0.00 61.98 63.78 3ccz s VAL 583 Cb -0.09 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 3ccz s VAL 583 CO -0.04 -0.10 0.50 0.18 0.00 0.00 0.00 175.10 175.63 3ccz n LEU 584 N 6.05 0.73 -3.56 3.92 4.77 0.79 -5.00 117.00 124.69 3ccz n LEU 584 Ca 0.08 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 3ccz n LEU 584 Cb 0.47 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 3ccz n LEU 584 CO 0.49 0.43 0.25 0.00 -1.33 0.00 0.00 177.39 177.24 3ccz s ALA 585 N -2.57 -1.18 -0.19 -1.18 0.00 -1.20 -4.97 121.76 110.48 3ccz s ALA 585 Ca -0.07 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 3ccz s ALA 585 Cb 0.07 0.77 0.08 0.00 0.00 0.00 0.00 23.12 24.05 3ccz s ALA 585 CO 0.82 -0.70 0.41 0.34 0.00 0.00 0.00 175.76 176.64 3ccz s ASP 586 N -2.79 -0.33 0.00 0.00 2.15 -1.25 -1.61 116.67 112.84 3ccz s ASP 586 Ca 0.03 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.95 3ccz s ASP 586 Cb 0.01 1.12 0.00 0.00 -0.30 0.00 0.00 42.92 43.75 3ccz s ASP 586 CO -0.12 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 3ccz n GLY 587 N 4.98 0.69 3.78 2.66 0.00 -0.73 -4.32 105.19 112.24 3ccz n GLY 587 Ca -0.14 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 3.27 0.16 1.61 1.75 -0.78 -1.72 119.30 123.59 3ccz s MET 588 Ca 0.00 1.51 0.07 0.00 -1.25 0.00 0.00 55.69 56.02 3ccz s MET 588 Cb 0.00 -2.00 -0.04 0.00 2.84 0.00 0.00 34.83 35.62 3ccz s MET 588 CO 0.00 -0.90 -0.15 0.95 -0.65 0.00 0.00 175.02 174.28 3ccz s THR 589 N -1.96 1.57 -0.02 10.11 -4.23 -1.26 -2.05 115.64 117.80 3ccz s THR 589 Ca 0.70 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3ccz s THR 589 Cb -0.22 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.81 3ccz s THR 589 CO 0.30 -0.49 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.26 3ccz s ARG 590 N -3.16 0.39 -0.56 3.99 6.06 -0.79 -4.91 118.95 119.96 3ccz s ARG 590 Ca 0.16 -0.08 0.07 0.00 -2.50 0.00 0.00 55.73 53.38 3ccz s ARG 590 Cb -0.03 -0.43 0.25 0.00 0.06 0.00 0.00 34.95 34.80 3ccz s ARG 590 CO 0.05 0.01 0.68 0.41 -2.50 0.00 0.00 175.30 173.95 3ccz n GLY 591 N 3.42 4.23 3.69 8.12 0.00 -1.26 -1.34 105.19 122.06 3ccz n GLY 591 Ca -0.18 -2.41 -0.31 0.00 0.00 0.00 0.00 46.02 43.12 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 -2.10 1.31 -0.14 1.61 0.04 -1.08 -0.71 135.00 133.92 3ccz s PRO 592 Ca 0.39 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3ccz s PRO 592 Cb 0.16 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.93 3ccz s PRO 592 CO -0.04 -2.41 -0.15 0.54 0.04 0.00 0.00 177.00 174.97 3ccz s VAL 593 N -2.60 2.76 0.40 -0.36 0.11 -0.72 -2.36 120.40 117.63 3ccz s VAL 593 Ca 0.67 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 3ccz s VAL 593 Cb -0.23 -2.15 -0.06 0.00 -1.53 0.00 0.00 36.38 32.40 3ccz s VAL 593 CO 0.56 0.52 0.10 0.68 -3.33 0.00 0.00 175.10 173.63 3ccz s VAL 594 N 0.61 2.24 -0.06 2.04 -7.23 -0.71 -2.34 120.40 114.95 3ccz s VAL 594 Ca -0.08 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3ccz s VAL 594 Cb -0.16 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 33.85 3ccz s VAL 594 CO 0.03 -0.03 0.13 -0.13 -0.31 0.00 0.00 175.10 174.79 3ccz s ARG 595 N -3.81 0.07 0.33 4.82 0.52 -0.34 -1.67 118.95 118.88 3ccz s ARG 595 Ca 0.38 0.36 0.08 0.00 -0.52 0.00 0.00 55.73 56.03 3ccz s ARG 595 Cb 0.06 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 3ccz s ARG 595 CO 0.20 -0.18 0.14 -0.51 0.02 0.00 0.00 175.30 174.98 3ccz s LEU 596 N 1.24 3.29 0.31 2.53 1.02 -0.74 -0.99 118.68 125.35 3ccz s LEU 596 Ca -0.08 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.38 3ccz s LEU 596 Cb -0.12 -1.78 0.67 0.00 0.02 0.00 0.00 46.19 44.98 3ccz s LEU 596 CO -0.06 -0.27 1.84 -0.65 0.02 0.00 0.00 176.35 177.24 3ccz h PRO 597 N 1.56 0.84 -4.63 1.29 0.11 -1.87 -3.45 132.00 125.85 3ccz h PRO 597 Ca -0.44 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 3ccz h PRO 597 Cb 1.25 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 3ccz h PRO 597 CO 0.63 0.56 -0.67 1.03 -0.21 0.00 0.00 178.00 179.34 3ccz s ARG 598 N -5.85 0.98 0.47 1.05 0.52 -1.26 -4.99 118.95 109.87 3ccz s ARG 598 Ca -0.11 -1.45 0.19 0.00 -0.52 0.00 0.00 55.73 53.84 3ccz s ARG 598 Cb 0.22 -0.08 1.15 0.00 0.52 0.00 0.00 34.95 36.76 3ccz s ARG 598 CO 0.80 -0.15 2.01 0.00 0.02 0.00 0.00 175.30 177.98 3ccz h ALA 599 N 2.82 1.51 -0.12 2.13 0.00 -1.86 -2.08 119.26 121.66 3ccz h ALA 599 Ca -0.36 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3ccz h ALA 599 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ccz h ALA 599 CO 0.62 0.22 -0.25 0.00 0.00 0.00 0.00 179.25 179.85 3ccz h ASP 601 N 0.20 0.87 0.14 0.00 3.32 -1.81 -2.92 116.42 116.22 3ccz h ASP 601 Ca 0.03 -0.82 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 3ccz h ASP 601 Cb 0.55 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ccz h ASP 601 CO 0.04 1.60 -0.30 0.77 -1.72 0.00 0.00 179.24 179.63 3ccz h SER 602 N 0.25 0.25 0.16 6.45 4.64 -1.31 -2.13 113.55 121.87 3ccz h SER 602 Ca -0.18 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 60.95 3ccz h SER 602 Cb 1.89 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 3ccz h SER 602 CO 0.23 0.55 -0.38 0.00 -0.87 0.00 0.00 176.83 176.36 3ccz h ALA 603 N 1.47 1.09 -0.48 5.18 0.00 -1.41 -2.08 119.26 123.04 3ccz h ALA 603 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3ccz h ALA 603 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ccz h ALA 603 CO 0.05 0.58 -0.01 1.49 0.00 0.00 0.00 179.25 181.36 3ccz h GLU 604 N 0.25 0.80 -0.08 0.00 4.81 -1.20 -2.10 114.58 117.07 3ccz h GLU 604 Ca 0.03 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 3ccz h GLU 604 Cb 0.79 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3ccz h GLU 604 CO 0.06 0.82 -0.70 0.28 -0.73 0.00 0.00 179.01 178.74 3ccz h VAL 605 N 0.75 1.39 -0.26 0.32 2.07 -1.21 -2.30 116.25 117.01 3ccz h VAL 605 Ca 0.14 -2.12 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 3ccz h VAL 605 Cb 0.47 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3ccz h VAL 605 CO 0.02 0.63 -0.03 0.50 0.02 0.00 0.00 177.57 178.72 3ccz h LYS 606 N 0.25 0.47 -0.28 1.57 3.64 -1.23 -2.03 116.57 118.96 3ccz h LYS 606 Ca -0.02 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 3ccz h LYS 606 Cb 1.26 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3ccz h LYS 606 CO 0.12 0.67 -0.17 0.00 -2.27 0.00 0.00 179.45 177.80 3ccz h ALA 607 N 0.79 1.19 -0.49 5.00 0.00 -1.41 -2.52 119.26 121.82 3ccz h ALA 607 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ccz h ALA 607 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ccz h ALA 607 CO 0.02 0.52 -0.09 2.35 0.00 0.00 0.00 179.25 182.05 3ccz h TRP 608 N 0.45 1.04 0.00 0.00 7.01 -1.29 -2.77 115.95 120.39 3ccz h TRP 608 Ca 0.08 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 60.83 3ccz h TRP 608 Cb 0.56 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3ccz h TRP 608 CO 0.02 0.99 -0.18 -0.07 -2.79 0.00 0.00 178.44 176.41 3ccz h LEU 609 N 0.79 0.00 0.00 0.65 3.38 -1.22 -3.09 115.31 115.82 3ccz h LEU 609 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ccz h LEU 609 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ccz h LEU 609 CO 0.04 0.18 -0.19 -0.33 0.09 0.00 0.00 178.44 178.24 3ccz h GLU 610 N 0.00 0.00 -7.31 1.13 5.08 -1.18 -3.33 114.58 108.97 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 0.64 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.00 3ccz h GLU 610 CO 0.02 0.10 0.35 0.95 -1.00 0.00 0.00 179.01 179.43 3ccz s THR 611 N -3.17 3.65 0.32 1.13 -4.23 -1.12 -4.95 115.64 107.28 3ccz s THR 611 Ca 0.06 0.56 0.08 0.00 -1.18 0.00 0.00 61.69 61.21 3ccz s THR 611 Cb 0.06 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.81 3ccz s THR 611 CO 0.69 -0.68 1.76 0.77 -0.54 0.00 0.00 174.62 176.63 3ccz h SER 612 N -0.82 0.20 -0.00 3.99 4.64 -1.88 -2.75 113.55 116.92 3ccz h SER 612 Ca -0.44 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 60.71 3ccz h SER 612 Cb 1.22 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3ccz h SER 612 CO 0.54 0.54 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.31 3ccz h GLU 613 N 0.17 0.28 -0.43 4.77 3.07 -1.93 -2.67 114.58 117.84 3ccz h GLU 613 Ca 0.02 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 3ccz h GLU 613 Cb 0.71 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3ccz h GLU 613 CO 0.05 1.00 -0.17 0.78 -1.40 0.00 0.00 179.01 179.27 3ccz h GLY 614 N -0.32 0.90 1.83 -3.84 0.00 -1.67 -2.80 103.07 97.16 3ccz h GLY 614 Ca -0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 3ccz h GLY 614 CO 0.08 0.67 -0.31 -2.75 0.00 0.00 0.00 176.54 174.23 3ccz h PHE 615 N 0.73 0.22 -0.23 5.60 3.57 -1.58 -2.94 116.94 122.32 3ccz h PHE 615 Ca 0.11 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 3ccz h PHE 615 Cb 0.69 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3ccz h PHE 615 CO 0.04 0.50 -0.37 0.00 -2.23 0.00 0.00 178.31 176.25 3ccz h ALA 616 N 1.50 0.94 -0.21 2.41 0.00 -1.22 -0.89 119.26 121.80 3ccz h ALA 616 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3ccz h ALA 616 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ccz h ALA 616 CO 0.05 0.62 -0.28 0.28 0.00 0.00 0.00 179.25 179.92 3ccz h VAL 617 N 0.43 1.33 -0.05 0.00 2.07 -1.41 -2.34 116.25 116.27 3ccz h VAL 617 Ca 0.04 -1.48 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 3ccz h VAL 617 Cb 0.84 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3ccz h VAL 617 CO 0.07 0.45 -0.55 0.40 0.02 0.00 0.00 177.57 177.96 3ccz h ILE 618 N 0.23 1.38 -0.08 4.57 1.08 -1.49 -2.89 117.51 120.31 3ccz h ILE 618 Ca 0.02 -1.88 -0.12 0.00 -0.39 0.00 0.00 64.86 62.49 3ccz h ILE 618 Cb 0.85 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 3ccz h ILE 618 CO 0.07 0.55 -0.50 0.50 -0.69 0.00 0.00 178.15 178.07 3ccz h LYS 619 N 0.12 0.21 -0.35 2.37 3.64 -1.15 -2.35 116.57 119.06 3ccz h LYS 619 Ca -0.00 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 3ccz h LYS 619 Cb 1.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3ccz h LYS 619 CO 0.08 0.67 -0.39 1.49 -2.27 0.00 0.00 179.45 179.02 3ccz h GLU 620 N 0.17 0.89 -0.35 1.90 4.81 -1.22 -1.73 114.58 119.04 3ccz h GLU 620 Ca 0.01 -0.48 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 3ccz h GLU 620 Cb 0.95 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3ccz h GLU 620 CO 0.08 1.13 -0.22 0.00 -0.73 0.00 0.00 179.01 179.26 3ccz h ALA 621 N 0.74 0.50 -0.41 2.92 0.00 -1.50 -2.70 119.26 118.80 3ccz h ALA 621 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ccz h ALA 621 Cb 0.99 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ccz h ALA 621 CO 0.10 0.47 0.22 0.35 0.00 0.00 0.00 179.25 180.38 3ccz h PHE 622 N 0.55 0.57 0.00 0.00 3.57 -1.41 -3.10 116.94 117.12 3ccz h PHE 622 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ccz h PHE 622 Cb 0.78 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3ccz h PHE 622 CO 0.06 0.44 0.00 -0.44 -2.23 0.00 0.00 178.31 176.15 3ccz h ASP 623 N 0.53 0.00 1.31 0.41 5.19 -1.31 -3.13 116.42 119.41 3ccz h ASP 623 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3ccz h ASP 623 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3ccz h ASP 623 CO -0.02 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.87 3ccz h SER 624 N 0.00 0.00 0.53 6.45 4.64 -1.39 -3.30 113.55 120.47 3ccz h SER 624 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3ccz h SER 624 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3ccz h SER 624 CO 0.00 0.00 -0.87 0.71 -0.87 0.00 0.00 176.83 175.80 3ccz h THR 625 N 0.00 1.47 -3.76 2.95 1.35 -1.66 -3.47 112.91 109.79 3ccz h THR 625 Ca 0.00 -2.55 -0.08 0.00 -0.55 0.00 0.00 66.41 63.23 3ccz h THR 625 Cb 0.65 2.42 -0.14 0.00 -1.73 0.00 0.00 68.15 69.36 3ccz h THR 625 CO 0.00 0.75 -0.34 -0.55 -0.25 0.00 0.00 175.52 175.13 3ccz s SER 626 N -6.95 0.08 0.21 5.36 0.15 -1.24 -5.01 113.70 106.30 3ccz s SER 626 Ca -0.03 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 55.93 3ccz s SER 626 Cb 0.10 0.35 0.16 0.00 -1.71 0.00 0.00 66.02 64.92 3ccz s SER 626 CO 0.83 -0.74 1.74 -0.09 1.20 0.00 0.00 173.24 176.19 3ccz h ARG 627 N 2.71 1.14 -0.01 5.44 2.43 -1.92 -3.06 114.38 121.11 3ccz h ARG 627 Ca -0.34 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3ccz h ARG 627 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3ccz h ARG 627 CO 0.55 0.98 -0.17 1.19 -1.51 0.00 0.00 179.97 181.00 3ccz n PHE 628 N -4.25 0.00 -2.06 2.20 3.01 -1.26 -4.83 117.46 110.27 3ccz n PHE 628 Ca 0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.12 3ccz n PHE 628 Cb 0.24 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 -2.30 2.39 -0.31 4.37 0.00 -1.16 -4.39 121.76 120.36 3ccz s ALA 629 Ca 0.29 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3ccz s ALA 629 Cb 0.20 -4.22 0.10 0.00 0.00 0.00 0.00 23.12 19.20 3ccz s ALA 629 CO 0.45 -3.52 0.09 1.03 0.00 0.00 0.00 175.76 173.82 3ccz s ARG 630 N 6.58 0.75 -0.12 0.00 1.81 -1.26 -4.32 118.95 122.39 3ccz s ARG 630 Ca 0.69 -1.10 -0.29 0.00 -1.72 0.00 0.00 55.73 53.30 3ccz s ARG 630 Cb -0.15 -2.04 -0.03 0.00 -0.45 0.00 0.00 34.95 32.28 3ccz s ARG 630 CO 0.24 -0.98 1.33 -1.17 -0.68 0.00 0.00 175.30 174.04 3ccz s LEU 631 N 1.59 4.23 0.95 2.53 2.96 -1.26 -4.21 118.68 125.46 3ccz s LEU 631 Ca 0.10 1.83 -0.14 0.00 -0.22 0.00 0.00 54.13 55.70 3ccz s LEU 631 Cb -0.17 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.19 3ccz s LEU 631 CO -0.24 -0.76 1.30 -1.10 -1.32 0.00 0.00 176.35 174.22 3ccz s GLN 632 N 3.31 0.57 0.25 1.98 -0.21 -0.54 -4.99 119.66 120.03 3ccz s GLN 632 Ca 0.59 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 55.02 3ccz s GLN 632 Cb -0.25 -1.91 -0.13 0.00 1.00 0.00 0.00 33.01 31.73 3ccz s GLN 632 CO 0.19 -2.41 1.51 1.17 -2.12 0.00 0.00 175.29 173.63 3ccz n LYS 633 N -3.69 2.33 -2.20 2.91 4.81 -1.26 -4.70 118.16 116.35 3ccz n LYS 633 Ca 0.17 0.83 -0.33 0.00 -0.87 0.00 0.00 58.31 58.11 3ccz n LYS 633 Cb 0.59 -2.55 -0.00 0.00 0.02 0.00 0.00 35.03 33.09 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 0.05 3.60 -0.29 3.14 1.43 -1.26 -4.78 118.68 120.57 3ccz s LEU 634 Ca 0.68 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 55.62 3ccz s LEU 634 Cb -0.59 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.18 3ccz s LEU 634 CO 0.47 -1.03 0.05 -2.28 0.23 0.00 0.00 176.35 173.79 3ccz s HIS 635 N -2.33 2.35 0.31 0.29 5.65 -1.15 -5.00 115.29 115.41 3ccz s HIS 635 Ca 0.64 -2.02 0.07 0.00 0.25 0.00 0.00 55.06 54.00 3ccz s HIS 635 Cb -0.16 -1.96 -0.02 0.00 -1.18 0.00 0.00 32.58 29.26 3ccz s HIS 635 CO 0.32 -0.86 0.32 0.95 -0.65 0.00 0.00 174.74 174.82 3ccz s THR 636 N 1.40 4.03 -0.28 0.89 -4.23 -1.26 -1.74 115.64 114.44 3ccz s THR 636 Ca 0.06 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 3ccz s THR 636 Cb -0.18 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 70.41 3ccz s THR 636 CO -0.16 -0.22 0.66 -0.55 -0.54 0.00 0.00 174.62 173.81 3ccz s SER 637 N -4.00 -1.01 0.11 3.99 0.15 -0.67 -5.01 113.70 107.26 3ccz s SER 637 Ca 0.39 1.52 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 3ccz s SER 637 Cb -0.07 1.80 -0.06 0.00 -1.71 0.00 0.00 66.02 65.97 3ccz s SER 637 CO 0.28 -0.23 0.45 -0.63 1.20 0.00 0.00 173.24 174.30 3ccz s ILE 638 N 2.24 5.02 -0.44 6.45 1.01 -1.26 -1.39 121.20 132.83 3ccz s ILE 638 Ca -0.08 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.15 3ccz s ILE 638 Cb -0.08 -3.67 0.17 0.00 0.01 0.00 0.00 42.46 38.88 3ccz s ILE 638 CO -0.19 0.25 0.35 0.00 0.00 0.00 0.00 174.94 175.34 3ccz s ALA 639 N -1.44 1.64 0.00 9.38 0.00 -0.90 -4.99 121.76 125.45 3ccz s ALA 639 Ca 0.35 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.75 3ccz s ALA 639 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3ccz s ALA 639 CO 0.19 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.36 3ccz n GLY 640 N 2.85 2.40 0.15 0.00 0.00 -1.26 -2.37 105.19 106.96 3ccz n GLY 640 Ca 0.27 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 12.77 0.87 -2.90 1.61 1.85 -1.26 -4.29 116.66 125.32 3ccz n ARG 641 Ca 0.00 -0.30 -0.34 0.00 -1.00 0.00 0.00 57.85 56.21 3ccz n ARG 641 Cb 0.00 -1.49 -0.07 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 -2.34 7.01 -0.08 2.89 -0.87 -1.00 -1.78 114.94 118.77 3ccz s ASN 642 Ca 0.33 1.62 -0.01 0.00 -1.57 0.00 0.00 52.86 53.23 3ccz s ASN 642 Cb 0.20 -2.51 0.03 0.00 -0.02 0.00 0.00 41.25 38.96 3ccz s ASN 642 CO 0.44 -0.23 -0.02 -0.22 -2.57 0.00 0.00 177.10 174.50 3ccz s LEU 643 N -2.79 0.75 -0.28 0.60 2.96 -0.67 -2.12 118.68 117.12 3ccz s LEU 643 Ca 0.56 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 3ccz s LEU 643 Cb -0.12 -0.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 3ccz s LEU 643 CO 0.17 -0.18 0.20 -0.31 -1.32 0.00 0.00 176.35 174.92 3ccz s TYR 644 N 1.90 3.22 -0.19 5.38 1.51 -0.49 -1.74 117.35 126.96 3ccz s TYR 644 Ca 0.05 0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 3ccz s TYR 644 Cb -0.12 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 3ccz s TYR 644 CO -0.06 -0.18 -0.08 0.42 -1.11 0.00 0.00 175.55 174.54 3ccz s ILE 645 N 1.78 3.17 -0.52 2.71 1.01 -0.99 -1.67 121.20 126.68 3ccz s ILE 645 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3ccz s ILE 645 Cb -0.16 -2.40 0.12 0.00 0.01 0.00 0.00 42.46 40.03 3ccz s ILE 645 CO 0.11 0.47 0.46 -0.60 0.00 0.00 0.00 174.94 175.38 3ccz s ARG 646 N 1.06 2.91 0.18 2.79 3.52 -0.71 -3.08 118.95 125.62 3ccz s ARG 646 Ca 0.00 -1.68 -0.27 0.00 -0.13 0.00 0.00 55.73 53.65 3ccz s ARG 646 Cb -0.15 -4.22 -0.08 0.00 -1.56 0.00 0.00 34.95 28.94 3ccz s ARG 646 CO -0.01 -1.28 0.84 -0.06 -0.81 0.00 0.00 175.30 173.98 3ccz s PHE 647 N 1.57 3.93 -0.01 5.12 0.40 -0.45 -2.95 117.98 125.59 3ccz s PHE 647 Ca 0.03 1.74 -0.01 0.00 -0.60 0.00 0.00 56.93 58.09 3ccz s PHE 647 Cb -0.29 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.38 3ccz s PHE 647 CO 0.03 0.47 0.02 -1.14 0.70 0.00 0.00 175.22 175.30 3ccz s GLN 648 N -1.05 0.08 -0.20 0.44 0.74 -1.26 -1.88 119.66 116.53 3ccz s GLN 648 Ca 0.38 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.44 3ccz s GLN 648 Cb -0.24 0.03 0.13 0.00 1.10 0.00 0.00 33.01 34.03 3ccz s GLN 648 CO 0.28 -0.01 1.04 0.45 -0.55 0.00 0.00 175.29 176.50 3ccz s SER 649 N -0.22 -0.36 0.87 6.67 0.15 -0.87 -1.47 113.70 118.47 3ccz s SER 649 Ca -0.03 0.48 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 3ccz s SER 649 Cb -0.02 0.42 0.12 0.00 -1.71 0.00 0.00 66.02 64.83 3ccz s SER 649 CO -0.00 -0.26 1.11 -0.13 1.20 0.00 0.00 173.24 175.15 3ccz s ARG 650 N -0.73 1.43 -0.24 5.44 0.52 -1.26 -1.87 118.95 122.25 3ccz s ARG 650 Ca 0.00 1.23 0.20 0.00 -0.52 0.00 0.00 55.73 56.64 3ccz s ARG 650 Cb -0.02 -1.80 0.46 0.00 0.52 0.00 0.00 34.95 34.11 3ccz s ARG 650 CO -0.02 -2.24 1.21 -1.13 0.02 0.00 0.00 175.30 173.14 3ccz n SER 651 N -3.93 0.73 0.00 0.23 3.41 -1.26 -4.42 113.62 108.38 3ccz n SER 651 Ca 0.09 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3ccz n SER 651 Cb 0.53 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.66 3.79 0.37 5.00 0.00 -1.26 -2.03 105.19 110.39 3ccz n GLY 652 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 5.94 1.69 -4.80 1.61 8.00 -1.26 -3.81 116.55 123.92 3ccz n ASP 653 Ca 0.00 -1.32 -0.33 0.00 0.71 0.00 0.00 54.79 53.85 3ccz n ASP 653 Cb 0.00 0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.58 2.78 0.28 2.24 0.00 -0.86 -0.99 121.76 122.63 3ccz s ALA 654 Ca 0.17 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 3ccz s ALA 654 Cb 0.18 -3.24 0.39 0.00 0.00 0.00 0.00 23.12 20.44 3ccz s ALA 654 CO 0.62 -0.66 1.95 1.98 0.00 0.00 0.00 175.76 179.65 3ccz h MET 655 N 0.78 1.14 0.00 0.00 4.05 -1.76 -3.43 114.93 115.71 3ccz h MET 655 Ca -0.48 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 3ccz h MET 655 Cb 1.22 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 3ccz h MET 655 CO 0.58 0.77 0.00 0.41 0.23 0.00 0.00 176.91 178.90 3ccz n GLY 656 N -1.37 0.85 0.27 1.39 0.00 -1.26 -4.69 105.19 100.39 3ccz n GLY 656 Ca 0.10 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 1.45 0.94 -0.11 1.61 2.86 -1.95 -1.21 114.93 118.54 3ccz h MET 657 Ca 0.00 -0.44 -0.17 0.00 -2.06 0.00 0.00 59.70 57.02 3ccz h MET 657 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3ccz h MET 657 CO 0.00 1.11 -0.67 -0.91 1.06 0.00 0.00 176.91 177.50 3ccz h ASN 658 N 0.78 0.51 -0.31 1.22 2.35 -1.98 -2.21 115.58 115.94 3ccz h ASN 658 Ca 0.09 -0.31 -0.17 0.00 -0.55 0.00 0.00 56.30 55.35 3ccz h ASN 658 Cb 0.86 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3ccz h ASN 658 CO 0.08 1.04 -0.46 -0.03 -1.65 0.00 0.00 177.43 176.41 3ccz h MET 659 N 0.32 0.89 0.00 0.81 4.05 -1.96 -2.43 114.93 116.60 3ccz h MET 659 Ca -0.02 -0.51 -0.14 0.00 -0.28 0.00 0.00 59.70 58.75 3ccz h MET 659 Cb 1.23 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 3ccz h MET 659 CO 0.12 1.15 -0.69 0.82 0.23 0.00 0.00 176.91 178.54 3ccz h ILE 660 N 0.71 1.30 -0.10 1.77 1.08 -1.27 -2.65 117.51 118.35 3ccz h ILE 660 Ca 0.04 -2.52 -0.14 0.00 -0.39 0.00 0.00 64.86 61.85 3ccz h ILE 660 Cb 1.05 2.43 -0.01 0.00 -3.07 0.00 0.00 36.82 37.22 3ccz h ILE 660 CO 0.11 0.67 -0.54 0.28 -0.69 0.00 0.00 178.15 177.98 3ccz h SER 661 N 0.00 0.33 -0.12 1.72 0.02 -1.35 -1.33 113.55 112.83 3ccz h SER 661 Ca -0.01 -0.17 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 3ccz h SER 661 Cb 1.38 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.84 3ccz h SER 661 CO 0.09 0.81 -0.72 0.50 -1.14 0.00 0.00 176.83 176.37 3ccz h LYS 662 N 0.23 0.70 -0.12 3.45 3.64 -1.38 -2.31 116.57 120.77 3ccz h LYS 662 Ca 0.00 -0.59 -0.08 0.00 -1.27 0.00 0.00 60.65 58.71 3ccz h LYS 662 Cb 1.03 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3ccz h LYS 662 CO 0.09 1.20 -0.28 0.78 -2.27 0.00 0.00 179.45 178.97 3ccz h GLY 663 N 0.38 0.23 1.29 5.01 0.00 -1.45 -2.80 103.07 105.73 3ccz h GLY 663 Ca -0.06 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 3ccz h GLY 663 CO 0.15 0.17 -0.75 -0.84 0.00 0.00 0.00 176.54 175.27 3ccz h THR 664 N 0.19 1.30 -0.75 4.70 2.02 -1.21 -1.74 112.91 117.43 3ccz h THR 664 Ca 0.03 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.16 3ccz h THR 664 Cb 0.60 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3ccz h THR 664 CO 0.04 0.63 0.25 -0.33 0.37 0.00 0.00 175.52 176.48 3ccz h GLU 665 N 0.48 1.14 -0.03 6.66 5.08 -1.31 -1.24 114.58 125.36 3ccz h GLU 665 Ca -0.04 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 3ccz h GLU 665 Cb 1.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3ccz h GLU 665 CO 0.15 0.96 -0.67 -0.22 -1.00 0.00 0.00 179.01 178.23 3ccz h LYS 666 N 1.10 0.15 -0.19 2.33 1.63 -1.51 -2.71 116.57 117.37 3ccz h LYS 666 Ca 0.24 -0.12 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 3ccz h LYS 666 Cb 0.28 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3ccz h LYS 666 CO -0.01 0.76 -0.49 0.00 -3.45 0.00 0.00 179.45 176.26 3ccz h ALA 667 N 1.21 0.79 0.00 5.00 0.00 -0.93 -2.44 119.26 122.89 3ccz h ALA 667 Ca -0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3ccz h ALA 667 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3ccz h ALA 667 CO 0.10 0.67 -0.73 -0.07 0.00 0.00 0.00 179.25 179.22 3ccz h LEU 668 N 0.40 0.00 -0.42 0.00 3.38 -1.24 -2.03 115.31 115.40 3ccz h LEU 668 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3ccz h LEU 668 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3ccz h LEU 668 CO 0.09 0.73 -0.42 -1.28 0.09 0.00 0.00 178.44 177.65 3ccz h SER 669 N 0.00 0.94 0.16 -0.43 0.87 -1.43 -1.97 113.55 111.70 3ccz h SER 669 Ca -0.01 -0.44 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 3ccz h SER 669 Cb 1.54 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 3ccz h SER 669 CO 0.09 1.23 -0.41 0.50 -0.53 0.00 0.00 176.83 177.71 3ccz h LYS 670 N 0.71 0.33 -0.02 2.24 1.63 -1.42 -2.85 116.57 117.18 3ccz h LYS 670 Ca 0.05 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.58 3ccz h LYS 670 Cb 1.01 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3ccz h LYS 670 CO 0.10 0.69 -0.49 1.25 -3.45 0.00 0.00 179.45 177.55 3ccz h LEU 671 N 0.27 0.06 -1.06 5.20 5.85 -1.25 -2.91 115.31 121.47 3ccz h LEU 671 Ca 0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3ccz h LEU 671 Cb 0.85 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3ccz h LEU 671 CO 0.07 0.55 -0.38 -0.74 -0.34 0.00 0.00 178.44 177.60 3ccz h HIS 672 N 0.05 0.00 -0.59 1.25 2.76 -1.13 -1.73 115.15 115.75 3ccz h HIS 672 Ca -0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3ccz h HIS 672 Cb 0.89 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.82 3ccz h HIS 672 CO 0.00 0.38 0.17 0.93 -1.30 0.00 0.00 177.93 178.11 3ccz h GLU 673 N 0.00 0.90 0.00 5.26 5.08 -1.39 -2.15 114.58 122.29 3ccz h GLU 673 Ca -0.00 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 3ccz h GLU 673 Cb 0.83 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3ccz h GLU 673 CO 0.05 0.79 -0.94 1.88 -1.00 0.00 0.00 179.01 179.79 3ccz h TYR 674 N 0.87 0.00 -2.59 4.33 -1.99 -1.57 -3.41 116.97 112.62 3ccz h TYR 674 Ca 0.19 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.33 3ccz h TYR 674 Cb 0.28 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 38.62 3ccz h TYR 674 CO 0.02 0.60 -0.86 -0.06 -0.00 0.00 0.00 178.16 177.85 3ccz s PHE 675 N -2.91 1.58 0.15 4.88 0.40 -0.67 -5.00 117.98 116.42 3ccz s PHE 675 Ca 0.01 -2.43 0.35 0.00 -0.60 0.00 0.00 56.93 54.25 3ccz s PHE 675 Cb 0.08 -1.34 1.51 0.00 0.51 0.00 0.00 43.02 43.79 3ccz s PHE 675 CO 0.78 -0.77 2.03 -1.00 0.70 0.00 0.00 175.22 176.96 3ccz h PRO 676 N 5.88 0.00 0.00 0.24 0.13 -1.63 -2.50 132.00 134.12 3ccz h PRO 676 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3ccz h PRO 676 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ccz h PRO 676 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3ccz n GLU 677 N -3.02 0.11 -2.14 0.86 1.02 -1.26 -4.86 120.64 111.35 3ccz n GLU 677 Ca 0.00 0.15 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 3ccz n GLU 677 Cb 0.26 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 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 -3.07 4.07 -0.13 3.49 1.75 -0.94 -4.54 119.30 119.93 3ccz s MET 678 Ca 0.11 2.07 0.02 0.00 -1.25 0.00 0.00 55.69 56.64 3ccz s MET 678 Cb 0.14 -2.80 0.01 0.00 2.84 0.00 0.00 34.83 35.03 3ccz s MET 678 CO 0.50 -0.38 -0.21 -1.14 -0.65 0.00 0.00 175.02 173.14 3ccz s GLN 679 N -2.16 2.88 -0.73 4.11 0.74 -0.16 -4.97 119.66 119.38 3ccz s GLN 679 Ca 0.55 -0.80 -0.26 0.00 0.05 0.00 0.00 55.36 54.90 3ccz s GLN 679 Cb -0.36 -2.34 0.04 0.00 1.10 0.00 0.00 33.01 31.45 3ccz s GLN 679 CO 0.46 -0.02 1.20 0.42 -0.55 0.00 0.00 175.29 176.81 3ccz s ILE 680 N 0.83 3.89 0.06 -2.34 1.01 -1.26 -1.20 121.20 122.20 3ccz s ILE 680 Ca -0.07 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 3ccz s ILE 680 Cb -0.15 -4.86 -0.16 0.00 0.01 0.00 0.00 42.46 37.30 3ccz s ILE 680 CO -0.02 -1.75 1.28 0.25 0.00 0.00 0.00 174.94 174.70 3ccz h LEU 681 N 12.56 0.69 -7.00 2.97 5.85 -1.81 -3.46 115.31 125.11 3ccz h LEU 681 Ca -0.26 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 57.83 3ccz h LEU 681 Cb 1.05 -0.20 -0.21 0.00 0.37 0.00 0.00 40.66 41.67 3ccz h LEU 681 CO 1.26 1.17 0.10 0.00 -0.34 0.00 0.00 178.44 180.63 3ccz s ALA 682 N -3.84 -1.81 0.34 1.25 0.00 -1.12 -5.03 121.76 111.55 3ccz s ALA 682 Ca -0.12 2.14 0.27 0.00 0.00 0.00 0.00 51.96 54.25 3ccz s ALA 682 Cb 0.07 -1.25 1.34 0.00 0.00 0.00 0.00 23.12 23.28 3ccz s ALA 682 CO 0.84 -0.35 2.02 -0.24 0.00 0.00 0.00 175.76 178.02 3ccz h VAL 683 N 4.28 0.53 -3.59 0.00 3.04 -1.89 -1.93 116.25 116.68 3ccz h VAL 683 Ca -0.29 -0.67 -0.65 0.00 -1.01 0.00 0.00 66.70 64.08 3ccz h VAL 683 Cb 1.18 1.45 -0.37 0.00 -2.01 0.00 0.00 31.29 31.54 3ccz h VAL 683 CO 0.08 0.14 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.42 3ccz s SER 684 N -6.12 3.89 -0.42 3.17 0.15 -1.26 -2.65 113.70 110.46 3ccz s SER 684 Ca -0.02 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.57 3ccz s SER 684 Cb 0.12 -1.42 0.61 0.00 -1.71 0.00 0.00 66.02 63.61 3ccz s SER 684 CO 0.59 -0.15 1.79 0.61 1.20 0.00 0.00 173.24 177.28 3ccz n GLY 685 N 4.55 4.74 2.52 9.45 0.00 0.12 -4.75 105.19 121.82 3ccz n GLY 685 Ca -0.15 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.12 -5.35 -1.06 1.61 4.13 -1.25 -4.80 115.26 107.41 3ccz n ASN 686 Ca 0.52 0.39 0.10 0.00 1.68 0.00 0.00 54.58 57.27 3ccz n ASN 686 Cb 1.42 -4.51 0.21 0.00 -1.54 0.00 0.00 39.78 35.36 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 -2.73 0.56 0.19 3.10 9.36 -1.19 -4.65 117.16 121.80 3ccz n TYR 687 Ca -0.20 -0.32 -0.13 0.00 3.32 0.00 0.00 57.90 60.57 3ccz n TYR 687 Cb 0.64 -0.00 -0.08 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 -4.61 4.73 -0.25 0.00 2.01 -1.26 -4.74 115.64 111.52 3ccz s THR 689 Ca -0.14 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 3ccz s THR 689 Cb 0.02 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3ccz s THR 689 CO 0.51 0.57 0.10 -0.62 -0.69 0.00 0.00 174.62 174.49 3ccz s ASP 690 N -0.55 5.40 -1.68 3.53 2.15 -1.26 -4.62 116.67 119.64 3ccz s ASP 690 Ca 0.10 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3ccz s ASP 690 Cb -0.12 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 3ccz s ASP 690 CO 0.02 -0.02 0.00 0.29 -0.17 0.00 0.00 175.17 175.29 3ccz n LYS 691 N 4.85 -1.12 -4.16 4.34 5.02 -1.26 -4.99 118.16 120.84 3ccz n LYS 691 Ca -0.16 1.05 -0.17 0.00 -2.02 0.00 0.00 58.31 57.01 3ccz n LYS 691 Cb 0.52 -5.24 -0.12 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.33 0.78 0.26 1.97 3.01 -1.26 -4.95 119.74 116.22 3ccz s LYS 692 Ca 0.00 -0.93 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 3ccz s LYS 692 Cb 0.00 -0.74 -0.10 0.00 -1.01 0.00 0.00 37.83 35.98 3ccz s LYS 692 CO 0.00 0.16 1.47 -1.25 0.51 0.00 0.00 175.35 176.24 3ccz s PRO 693 N -1.75 4.23 -0.27 -1.68 0.04 -1.26 -4.74 135.00 129.57 3ccz s PRO 693 Ca -0.03 2.37 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 3ccz s PRO 693 Cb -0.10 -3.09 0.08 0.00 0.04 0.00 0.00 34.50 31.43 3ccz s PRO 693 CO 0.02 -0.46 0.67 0.00 0.04 0.00 0.00 177.00 177.26 3ccz s ALA 694 N -0.06 -1.78 0.45 8.56 0.00 -1.26 -5.03 121.76 122.63 3ccz s ALA 694 Ca 0.60 2.27 0.29 0.00 0.00 0.00 0.00 51.96 55.12 3ccz s ALA 694 Cb -0.43 -1.34 1.55 0.00 0.00 0.00 0.00 23.12 22.90 3ccz s ALA 694 CO 0.45 -0.36 2.11 0.00 0.00 0.00 0.00 175.76 177.96 3ccz h ALA 695 N 6.68 1.30 -0.43 0.00 0.00 -1.94 -2.68 119.26 122.19 3ccz h ALA 695 Ca -0.30 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3ccz h ALA 695 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3ccz h ALA 695 CO 0.16 0.11 -0.05 0.97 0.00 0.00 0.00 179.25 180.44 3ccz h ILE 696 N 0.00 1.24 -0.23 0.00 2.10 -1.98 -1.31 117.51 117.34 3ccz h ILE 696 Ca -0.00 -1.05 -0.12 0.00 1.08 0.00 0.00 64.86 64.77 3ccz h ILE 696 Cb 0.27 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 36.96 3ccz h ILE 696 CO 0.01 0.36 -0.35 0.78 -1.08 0.00 0.00 178.15 177.88 3ccz h ASN 697 N 0.68 0.52 -0.51 2.19 2.35 -1.77 -1.09 115.58 117.94 3ccz h ASN 697 Ca 0.13 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 3ccz h ASN 697 Cb 0.50 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3ccz h ASN 697 CO 0.03 0.83 -0.18 -0.25 -1.65 0.00 0.00 177.43 176.20 3ccz h TRP 698 N 0.42 1.16 0.00 1.19 2.91 -1.43 -1.67 115.95 118.53 3ccz h TRP 698 Ca 0.05 -0.27 -0.23 0.00 1.13 0.00 0.00 58.89 59.57 3ccz h TRP 698 Cb 0.81 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 3ccz h TRP 698 CO 0.03 1.10 -1.25 0.82 -1.03 0.00 0.00 178.44 178.11 3ccz h ILE 699 N 0.88 0.93 0.00 2.65 2.04 -1.23 -3.40 117.51 119.39 3ccz h ILE 699 Ca 0.12 -2.19 -0.07 0.00 1.00 0.00 0.00 64.86 63.73 3ccz h ILE 699 Cb 0.76 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3ccz h ILE 699 CO 0.06 0.33 -0.85 -0.33 0.00 0.00 0.00 178.15 177.37 3ccz h GLU 700 N -0.97 0.00 0.00 2.37 4.39 -1.36 -3.51 114.58 115.50 3ccz h GLU 700 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3ccz h GLU 700 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3ccz h GLU 700 CO -0.20 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 3ccz n GLY 701 N 1.24 -1.08 3.24 -3.84 0.00 -0.63 -5.03 105.19 99.09 3ccz n GLY 701 Ca -0.02 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.48 0.37 7.29 1.61 3.52 -1.12 -4.76 118.95 122.38 3ccz s ARG 702 Ca 0.00 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 3ccz s ARG 702 Cb 0.00 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 3ccz s ARG 702 CO 0.00 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 3ccz n GLY 703 N 4.08 2.44 3.65 8.12 0.00 -0.70 -3.24 105.19 119.53 3ccz n GLY 703 Ca -0.22 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 4.14 -0.15 1.61 -0.14 -0.19 -1.77 119.74 123.23 3ccz s LYS 704 Ca 0.00 0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 54.73 3ccz s LYS 704 Cb 0.00 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 3ccz s LYS 704 CO 0.00 -0.17 0.42 -1.12 -0.76 0.00 0.00 175.35 173.72 3ccz s SER 705 N 1.26 6.56 0.04 2.83 0.01 -0.64 -1.26 113.70 122.51 3ccz s SER 705 Ca 0.21 0.67 0.01 0.00 1.31 0.00 0.00 55.95 58.15 3ccz s SER 705 Cb -0.15 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3ccz s SER 705 CO 0.09 -0.02 -0.06 -0.69 0.41 0.00 0.00 173.24 172.98 3ccz s VAL 706 N 0.85 0.41 0.01 3.43 1.01 -0.44 -0.15 120.40 125.51 3ccz s VAL 706 Ca 0.22 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3ccz s VAL 706 Cb -0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3ccz s VAL 706 CO 0.08 -0.54 -0.05 0.54 0.00 0.00 0.00 175.10 175.13 3ccz s VAL 707 N -1.95 0.40 0.14 2.92 0.11 -0.82 -0.97 120.40 120.23 3ccz s VAL 707 Ca -0.07 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.62 3ccz s VAL 707 Cb -0.06 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3ccz s VAL 707 CO -0.02 -0.02 -0.12 0.00 -3.33 0.00 0.00 175.10 171.61 3ccz s GLU 709 N -3.15 1.05 -0.08 0.00 -1.05 -0.53 -1.87 118.70 113.07 3ccz s GLU 709 Ca 0.13 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 3ccz s GLU 709 Cb -0.02 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.23 3ccz s GLU 709 CO 0.02 -0.40 0.80 0.00 0.95 0.00 0.00 175.26 176.63 3ccz s ALA 710 N -3.49 -1.82 -0.22 -0.84 0.00 -0.66 -1.54 121.76 113.18 3ccz s ALA 710 Ca 0.01 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 3ccz s ALA 710 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3ccz s ALA 710 CO -0.10 -0.38 -0.02 0.08 0.00 0.00 0.00 175.76 175.34 3ccz s VAL 711 N -1.36 3.58 -0.36 0.00 1.01 -1.26 -1.45 120.40 120.56 3ccz s VAL 711 Ca -0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3ccz s VAL 711 Cb -0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3ccz s VAL 711 CO 0.05 0.41 0.33 -0.63 0.00 0.00 0.00 175.10 175.26 3ccz s ILE 712 N 1.45 5.20 0.60 2.22 -1.09 -0.30 -4.63 121.20 124.66 3ccz s ILE 712 Ca 0.05 -0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.14 3ccz s ILE 712 Cb -0.14 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 3ccz s ILE 712 CO -0.02 -0.13 0.79 -2.65 -1.23 0.00 0.00 174.94 171.70 3ccz n PRO 713 N 5.30 0.70 -0.21 2.79 -0.02 -1.26 -1.47 135.00 140.84 3ccz n PRO 713 Ca -0.10 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 3ccz n PRO 713 Cb 0.49 -1.99 0.32 0.00 -0.02 0.00 0.00 33.50 32.30 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 0.30 1.63 -0.66 3.55 0.00 -1.94 -1.37 119.26 120.79 3ccz h ALA 714 Ca -0.47 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3ccz h ALA 714 Cb 1.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3ccz h ALA 714 CO 0.49 0.26 0.22 -0.22 0.00 0.00 0.00 179.25 179.99 3ccz h LYS 715 N 0.84 0.99 -0.09 0.00 3.64 -1.91 -2.63 116.57 117.42 3ccz h LYS 715 Ca 0.32 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 3ccz h LYS 715 Cb 0.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ccz h LYS 715 CO -0.11 0.84 -0.58 0.28 -2.27 0.00 0.00 179.45 177.61 3ccz h VAL 716 N 0.96 1.37 -0.45 2.00 2.07 -1.61 -2.20 116.25 118.39 3ccz h VAL 716 Ca 0.22 -1.92 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 3ccz h VAL 716 Cb 0.26 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3ccz h VAL 716 CO -0.01 0.57 -0.08 0.58 0.02 0.00 0.00 177.57 178.65 3ccz h VAL 717 N 0.23 1.25 -0.01 2.57 2.07 -1.16 -1.96 116.25 119.24 3ccz h VAL 717 Ca -0.00 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 3ccz h VAL 717 Cb 1.09 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3ccz h VAL 717 CO 0.09 0.39 -0.14 0.03 0.02 0.00 0.00 177.57 177.96 3ccz h ARG 718 N 0.73 0.12 0.07 1.57 3.08 -1.38 -2.26 114.38 116.29 3ccz h ARG 718 Ca 0.13 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3ccz h ARG 718 Cb 0.55 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.64 3ccz h ARG 718 CO 0.03 0.82 -0.48 0.93 -1.07 0.00 0.00 179.97 180.20 3ccz h GLU 719 N -0.54 0.14 0.03 0.04 5.08 -1.44 -2.50 114.58 115.38 3ccz h GLU 719 Ca -0.01 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3ccz h GLU 719 Cb 0.85 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3ccz h GLU 719 CO 0.03 1.11 -0.31 0.28 -1.00 0.00 0.00 179.01 179.12 3ccz h VAL 720 N -0.70 1.64 -0.01 3.13 2.07 -1.56 -3.38 116.25 117.44 3ccz h VAL 720 Ca -0.09 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3ccz h VAL 720 Cb 1.32 3.22 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3ccz h VAL 720 CO 0.06 0.60 -0.40 0.18 0.02 0.00 0.00 177.57 178.03 3ccz n LEU 721 N -4.49 1.17 -3.73 2.57 4.77 -1.12 -4.98 117.00 111.20 3ccz n LEU 721 Ca -0.13 -0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 55.23 3ccz n LEU 721 Cb 0.57 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3ccz n LEU 721 CO 0.35 0.23 0.17 0.29 -1.33 0.00 0.00 177.39 177.10 3ccz n LYS 722 N -0.70 -6.78 -1.00 3.23 4.76 -0.88 -4.67 118.16 112.13 3ccz n LYS 722 Ca 0.10 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3ccz n LYS 722 Cb 0.37 -5.69 0.00 0.00 -1.84 0.00 0.00 35.03 27.87 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 -4.81 0.00 -4.42 -0.18 5.66 -1.03 -4.72 114.28 104.77 3ccz n THR 723 Ca -0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 3ccz n THR 723 Cb 0.55 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.70 1.82 0.20 1.09 -4.23 -1.26 -3.33 115.64 107.22 3ccz s THR 724 Ca 0.00 -2.19 -0.09 0.00 -1.18 0.00 0.00 61.69 58.23 3ccz s THR 724 Cb 0.00 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.61 3ccz s THR 724 CO 0.00 -0.38 1.74 0.74 -0.54 0.00 0.00 174.62 176.18 3ccz h THR 725 N 2.32 1.26 -0.63 3.99 2.02 -1.92 -2.00 112.91 117.96 3ccz h THR 725 Ca -0.40 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 3ccz h THR 725 Cb 1.23 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3ccz h THR 725 CO 0.65 0.34 0.25 -0.08 0.37 0.00 0.00 175.52 177.06 3ccz h GLU 726 N 1.05 0.94 -0.46 6.66 4.81 -1.94 -1.90 114.58 123.74 3ccz h GLU 726 Ca 0.23 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3ccz h GLU 726 Cb 0.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3ccz h GLU 726 CO -0.01 0.79 -0.07 0.00 -0.73 0.00 0.00 179.01 178.99 3ccz h ALA 727 N 1.10 1.02 -0.46 2.92 0.00 -1.94 -2.60 119.26 119.29 3ccz h ALA 727 Ca 0.21 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ccz h ALA 727 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ccz h ALA 727 CO -0.02 0.60 -0.20 0.52 0.00 0.00 0.00 179.25 180.15 3ccz h MET 728 N 0.73 0.92 -0.40 0.00 2.86 -1.08 -2.64 114.93 115.32 3ccz h MET 728 Ca 0.13 -0.37 -0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3ccz h MET 728 Cb 0.55 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3ccz h MET 728 CO 0.03 1.03 -0.34 0.82 1.06 0.00 0.00 176.91 179.51 3ccz h ILE 729 N 0.80 1.27 -0.19 -1.22 2.04 -1.25 -1.59 117.51 117.37 3ccz h ILE 729 Ca 0.11 -1.50 -0.11 0.00 1.00 0.00 0.00 64.86 64.35 3ccz h ILE 729 Cb 0.75 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3ccz h ILE 729 CO 0.06 0.51 -0.38 -0.33 0.00 0.00 0.00 178.15 178.01 3ccz h GLU 730 N 0.76 0.42 -0.15 2.37 4.39 -1.42 -1.30 114.58 119.65 3ccz h GLU 730 Ca 0.07 -0.19 -0.22 0.00 0.34 0.00 0.00 59.36 59.36 3ccz h GLU 730 Cb 0.91 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3ccz h GLU 730 CO 0.08 0.73 -0.75 0.28 -1.16 0.00 0.00 179.01 178.20 3ccz h VAL 731 N 0.35 1.29 -0.40 3.13 2.07 -1.41 -2.63 116.25 118.66 3ccz h VAL 731 Ca 0.04 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.55 3ccz h VAL 731 Cb 0.82 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3ccz h VAL 731 CO 0.07 0.62 0.13 -1.13 0.02 0.00 0.00 177.57 177.28 3ccz h ASN 732 N 0.52 0.59 -0.24 0.57 -1.24 -1.07 0.41 115.58 115.11 3ccz h ASN 732 Ca -0.04 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 3ccz h ASN 732 Cb 1.37 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 3ccz h ASN 732 CO 0.15 0.63 0.12 0.40 -1.29 0.00 0.00 177.43 177.45 3ccz h ILE 733 N 0.51 1.13 0.00 2.57 2.04 -1.30 -1.69 117.51 120.76 3ccz h ILE 733 Ca 0.13 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3ccz h ILE 733 Cb 0.26 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3ccz h ILE 733 CO -0.00 0.12 -0.53 0.59 0.00 0.00 0.00 178.15 178.33 3ccz n ASN 734 N -4.85 0.53 -0.02 1.72 3.02 -0.99 -1.10 115.26 113.56 3ccz n ASN 734 Ca -0.03 -0.12 -0.03 0.00 -0.03 0.00 0.00 54.58 54.37 3ccz n ASN 734 Cb 0.08 0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.67 0.19 0.21 3.52 4.81 0.12 -2.22 118.16 123.12 3ccz n LYS 735 Ca 0.05 0.07 0.09 0.00 -0.87 0.00 0.00 58.31 57.65 3ccz n LYS 735 Cb 0.36 -0.75 0.40 0.00 0.02 0.00 0.00 35.03 35.06 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 -0.35 0.00 0.00 3.14 2.35 -1.43 -1.81 115.58 117.48 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 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3ccz h ASN 736 CO 0.00 0.26 -0.53 0.18 -1.65 0.00 0.00 177.43 175.69 3ccz n LEU 737 N -3.37 1.14 -0.03 1.61 4.77 -1.07 -4.17 117.00 115.88 3ccz n LEU 737 Ca 0.00 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 3ccz n LEU 737 Cb 0.47 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 3ccz n LEU 737 CO 0.34 -0.41 0.31 0.58 -1.33 0.00 0.00 177.39 176.89 3ccz h VAL 738 N -0.53 1.30 -0.21 4.08 2.07 -1.29 -1.69 116.25 119.99 3ccz h VAL 738 Ca 0.00 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 3ccz h VAL 738 Cb 0.53 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 3ccz h VAL 738 CO 0.00 0.60 0.10 1.23 0.02 0.00 0.00 177.57 179.52 3ccz h GLY 739 N 0.43 0.32 1.58 2.17 0.00 -0.98 -0.67 103.07 105.93 3ccz h GLY 739 Ca -0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3ccz h GLY 739 CO 0.14 0.15 -0.05 1.76 0.00 0.00 0.00 176.54 178.54 3ccz h SER 740 N 0.21 0.49 -0.46 0.19 0.02 -1.38 -2.15 113.55 110.46 3ccz h SER 740 Ca 0.07 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3ccz h SER 740 Cb 0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3ccz h SER 740 CO -0.01 0.60 0.12 0.00 -1.14 0.00 0.00 176.83 176.39 3ccz h ALA 741 N 1.46 0.61 -0.01 3.77 0.00 -0.95 -1.81 119.26 122.33 3ccz h ALA 741 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ccz h ALA 741 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ccz h ALA 741 CO 0.02 0.30 -0.28 0.52 0.00 0.00 0.00 179.25 179.80 3ccz h MET 742 N 0.62 0.02 -0.00 0.00 2.86 -0.82 -2.35 114.93 115.26 3ccz h MET 742 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3ccz h MET 742 Cb 0.32 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3ccz h MET 742 CO 0.00 0.30 -0.04 0.00 1.06 0.00 0.00 176.91 178.24 3ccz n ALA 743 N -2.49 2.49 -2.57 6.32 0.00 -0.84 -4.93 120.51 118.49 3ccz n ALA 743 Ca -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 3ccz n ALA 743 Cb 0.33 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 1.40 0.49 3.81 0.00 0.00 -0.88 -5.02 105.19 104.98 3ccz n GLY 744 Ca 0.10 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 7.05 -0.32 1.61 0.15 -0.72 -5.05 113.70 113.26 3ccz s SER 745 Ca 0.08 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.98 3ccz s SER 745 Cb -0.03 -2.35 0.08 0.00 -1.71 0.00 0.00 66.02 62.00 3ccz s SER 745 CO 0.16 0.28 0.02 -0.63 1.20 0.00 0.00 173.24 174.27 3ccz s ILE 746 N -1.11 2.64 0.00 6.45 -1.09 -1.26 -4.71 121.20 122.12 3ccz s ILE 746 Ca 0.29 -1.83 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 3ccz s ILE 746 Cb -0.19 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3ccz s ILE 746 CO 0.19 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 3ccz n GLY 747 N 4.47 0.77 2.64 6.18 0.00 -1.26 -4.93 105.19 113.06 3ccz n GLY 747 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.18 5.78 2.58 -0.02 0.00 -1.26 -1.77 105.19 108.31 3ccz n GLY 748 Ca 0.00 -2.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.11 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 -0.59 2.33 -4.02 1.61 4.02 -0.86 -4.83 117.16 114.82 3ccz n TYR 749 Ca 0.50 -2.39 -0.11 0.00 -0.01 0.00 0.00 57.90 55.89 3ccz n TYR 749 Cb 0.47 -1.47 -0.04 0.00 -0.02 0.00 0.00 39.34 38.27 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 -0.13 0.25 -0.12 7.72 2.20 -1.24 -1.35 114.94 122.26 3ccz s ASN 750 Ca 0.53 -1.14 -0.07 0.00 -0.94 0.00 0.00 52.86 51.24 3ccz s ASN 750 Cb 0.29 0.63 -0.04 0.00 -2.00 0.00 0.00 41.25 40.14 3ccz s ASN 750 CO -0.19 -1.23 -0.02 0.00 -2.94 0.00 0.00 177.10 172.71 3ccz h ALA 751 N 2.20 0.01 -0.09 3.54 0.00 -1.94 -3.46 119.26 119.53 3ccz h ALA 751 Ca -0.28 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.12 3ccz h ALA 751 Cb 1.25 0.25 -0.18 0.00 0.00 0.00 0.00 17.79 19.11 3ccz h ALA 751 CO 0.38 0.25 -0.41 -2.39 0.00 0.00 0.00 179.25 177.07 3ccz n HIS 752 N -4.68 -1.92 -0.33 0.00 1.44 -1.26 -4.95 115.22 103.51 3ccz n HIS 752 Ca -0.05 -1.92 0.20 0.00 -2.01 0.00 0.00 57.72 53.94 3ccz n HIS 752 Cb 0.17 1.38 0.45 0.00 0.12 0.00 0.00 29.99 32.11 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 1.73 2.04 -0.50 1.59 0.00 -1.89 -1.50 119.26 120.73 3ccz h ALA 753 Ca -0.32 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ccz h ALA 753 Cb 1.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3ccz h ALA 753 CO -0.06 -0.46 0.33 0.00 0.00 0.00 0.00 179.25 179.06 3ccz h ALA 754 N 1.65 1.64 -0.35 0.00 0.00 -1.93 -1.12 119.26 119.16 3ccz h ALA 754 Ca 0.60 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.49 3ccz h ALA 754 Cb 1.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ccz h ALA 754 CO -0.35 0.33 0.21 -0.91 0.00 0.00 0.00 179.25 178.53 3ccz h ASN 755 N 0.68 0.34 -0.08 0.00 2.35 -1.68 -1.50 115.58 115.69 3ccz h ASN 755 Ca 0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3ccz h ASN 755 Cb -0.08 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3ccz h ASN 755 CO -0.04 0.25 -0.35 0.40 -1.65 0.00 0.00 177.43 176.04 3ccz h ILE 756 N 0.42 1.41 -0.11 2.81 5.03 -1.48 -2.50 117.51 123.09 3ccz h ILE 756 Ca 0.13 -1.72 0.02 0.00 -0.12 0.00 0.00 64.86 63.17 3ccz h ILE 756 Cb -0.01 2.26 -0.02 0.00 -3.03 0.00 0.00 36.82 36.03 3ccz h ILE 756 CO -0.06 0.50 -0.01 0.58 -0.68 0.00 0.00 178.15 178.48 3ccz h VAL 757 N -0.08 0.91 -0.62 1.67 2.07 -1.24 -1.45 116.25 117.51 3ccz h VAL 757 Ca -0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3ccz h VAL 757 Cb 0.99 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3ccz h VAL 757 CO 0.07 0.00 0.35 0.74 0.02 0.00 0.00 177.57 178.76 3ccz h THR 758 N 0.03 1.19 -0.31 2.57 2.02 -1.33 0.02 112.91 117.09 3ccz h THR 758 Ca 0.05 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 3ccz h THR 758 Cb 0.07 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3ccz h THR 758 CO -0.10 0.20 0.07 0.00 0.37 0.00 0.00 175.52 176.07 3ccz h ALA 759 N 1.17 0.41 -0.34 6.16 0.00 -1.18 -1.49 119.26 123.99 3ccz h ALA 759 Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ccz h ALA 759 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ccz h ALA 759 CO -0.04 0.08 -0.25 0.82 0.00 0.00 0.00 179.25 179.86 3ccz h ILE 760 N 0.34 1.27 -0.46 0.00 2.04 -1.17 -0.90 117.51 118.63 3ccz h ILE 760 Ca 0.10 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 3ccz h ILE 760 Cb 0.30 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3ccz h ILE 760 CO 0.00 0.44 0.06 1.88 0.00 0.00 0.00 178.15 180.53 3ccz h TYR 761 N 0.60 0.83 -0.42 1.37 -1.99 -0.71 -1.13 116.97 115.52 3ccz h TYR 761 Ca 0.08 -0.12 -0.13 0.00 2.00 0.00 0.00 58.73 60.55 3ccz h TYR 761 Cb 0.74 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3ccz h TYR 761 CO 0.03 0.78 -0.27 0.82 -0.00 0.00 0.00 178.16 179.53 3ccz h ILE 762 N 0.63 1.27 -0.33 -2.88 2.04 -1.28 -0.05 117.51 116.92 3ccz h ILE 762 Ca 0.14 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.48 3ccz h ILE 762 Cb 0.42 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3ccz h ILE 762 CO 0.01 0.48 -0.20 0.00 0.00 0.00 0.00 178.15 178.45 3ccz h ALA 763 N 0.93 1.04 -0.45 1.87 0.00 -1.31 -3.28 119.26 118.07 3ccz h ALA 763 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ccz h ALA 763 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ccz h ALA 763 CO 0.07 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3ccz n GLY 765 N 0.26 0.41 3.92 0.00 0.00 -1.02 -4.59 105.19 104.18 3ccz n GLY 765 Ca 0.24 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.85 2.18 -0.67 1.61 -1.52 -0.06 -2.89 119.66 114.47 3ccz s GLN 766 Ca 0.00 -0.15 -0.27 0.00 -1.95 0.00 0.00 55.36 53.00 3ccz s GLN 766 Cb 0.00 -2.12 0.03 0.00 -0.22 0.00 0.00 33.01 30.71 3ccz s GLN 766 CO 0.00 -1.30 1.20 0.34 -0.25 0.00 0.00 175.29 175.27 3ccz s ASP 767 N -4.52 6.27 0.56 5.90 -1.08 -1.26 -4.71 116.67 117.83 3ccz s ASP 767 Ca 0.60 -0.31 0.33 0.00 -0.52 0.00 0.00 52.55 52.66 3ccz s ASP 767 Cb -0.11 -2.54 1.61 0.00 -1.46 0.00 0.00 42.92 40.42 3ccz s ASP 767 CO 0.46 -1.64 2.09 0.00 0.52 0.00 0.00 175.17 176.60 3ccz h ALA 768 N 9.77 1.10 0.00 3.66 0.00 -1.95 -1.77 119.26 130.07 3ccz h ALA 768 Ca -0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3ccz h ALA 768 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ccz h ALA 768 CO 1.23 0.08 -0.13 0.00 0.00 0.00 0.00 179.25 180.42 3ccz h ALA 769 N 1.94 1.19 0.00 0.00 0.00 -2.01 -2.46 119.26 117.92 3ccz h ALA 769 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ccz h ALA 769 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ccz h ALA 769 CO 0.01 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.46 3ccz n GLN 770 N -3.52 0.84 0.28 0.00 6.02 -0.66 -3.18 117.38 117.15 3ccz n GLN 770 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.16 3ccz n GLN 770 Cb 0.28 -1.30 0.83 0.00 1.02 0.00 0.00 30.24 31.07 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 -0.08 1.08 7.08 -1.61 -0.57 115.58 121.48 3ccz h ASN 771 Ca 0.00 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.26 3ccz h ASN 771 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.18 3ccz h ASN 771 CO 0.00 0.00 -0.29 0.58 -2.08 0.00 0.00 177.43 175.64 3ccz h VAL 772 N 0.00 0.35 0.02 6.14 2.07 -1.80 -2.61 116.25 120.42 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 0.33 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3ccz h VAL 772 CO 0.00 0.00 -1.85 0.61 0.02 0.00 0.00 177.57 176.35 3ccz n GLY 773 N -1.39 -0.91 0.26 2.17 0.00 -1.16 -4.27 105.19 99.88 3ccz n GLY 773 Ca -0.04 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 0.30 1.61 0.02 -1.09 -2.60 113.55 111.80 3ccz h SER 774 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3ccz h SER 774 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 3ccz h SER 774 CO 0.07 0.12 -0.14 -1.20 -1.14 0.00 0.00 176.83 174.54 3ccz n SER 775 N -3.41 0.66 -4.65 3.07 7.64 -0.98 -4.43 113.62 111.52 3ccz n SER 775 Ca -0.01 -0.71 -0.55 0.00 1.01 0.00 0.00 58.87 58.61 3ccz n SER 775 Cb 0.29 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 3ccz n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ccz n ASN 776 N -0.82 1.96 -3.63 6.43 3.02 -0.98 -4.57 115.26 116.67 3ccz n ASN 776 Ca 0.14 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.68 3ccz n ASN 776 Cb 0.30 -1.15 -0.07 0.00 -0.61 0.00 0.00 39.78 38.24 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 0.61 2.30 -0.23 0.00 2.07 -0.80 -2.04 121.20 123.11 3ccz s ILE 778 Ca -0.01 -0.89 -0.08 0.00 -1.41 0.00 0.00 60.65 58.26 3ccz s ILE 778 Cb -0.05 -1.95 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 3ccz s ILE 778 CO -0.05 0.53 0.08 -0.89 -1.91 0.00 0.00 174.94 172.69 3ccz s THR 779 N 0.93 4.51 0.06 4.00 2.01 -0.46 -1.92 115.64 124.77 3ccz s THR 779 Ca -0.04 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3ccz s THR 779 Cb -0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3ccz s THR 779 CO -0.03 0.36 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.30 3ccz s LEU 780 N 1.31 2.52 -0.05 4.42 1.43 -0.36 -4.90 118.68 123.05 3ccz s LEU 780 Ca 0.05 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3ccz s LEU 780 Cb -0.15 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3ccz s LEU 780 CO 0.04 0.24 0.11 -0.04 0.23 0.00 0.00 176.35 176.92 3ccz s MET 781 N -1.54 0.07 0.18 1.70 -1.94 -1.26 -1.64 119.30 114.87 3ccz s MET 781 Ca 0.15 0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 54.31 3ccz s MET 781 Cb -0.10 -0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.61 3ccz s MET 781 CO 0.05 -0.11 0.25 -1.83 -0.01 0.00 0.00 175.02 173.37 3ccz s GLU 782 N 0.75 1.20 0.56 2.03 -1.05 -0.76 -4.88 118.70 116.55 3ccz s GLU 782 Ca -0.06 -1.34 -0.18 0.00 -0.15 0.00 0.00 54.97 53.25 3ccz s GLU 782 Cb -0.08 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 3ccz s GLU 782 CO -0.03 -0.43 1.07 0.00 0.95 0.00 0.00 175.26 176.82 3ccz s ALA 783 N -4.03 2.75 0.18 -0.84 0.00 -1.26 -1.44 121.76 117.12 3ccz s ALA 783 Ca 0.24 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 3ccz s ALA 783 Cb 0.04 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3ccz s ALA 783 CO 0.05 -0.68 0.43 0.45 0.00 0.00 0.00 175.76 176.00 3ccz s SER 784 N -2.33 -0.14 0.00 0.00 0.15 0.17 -4.75 113.70 106.80 3ccz s SER 784 Ca 0.67 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3ccz s SER 784 Cb -0.18 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3ccz s SER 784 CO 0.30 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.36 3ccz n GLY 785 N -0.29 -0.73 0.24 9.45 0.00 -1.26 -2.28 105.19 110.33 3ccz n GLY 785 Ca -0.09 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 0.77 -0.02 1.61 0.13 -2.01 -3.10 132.00 129.39 3ccz h PRO 786 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ccz h PRO 786 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3ccz h PRO 786 CO 0.00 1.06 -0.03 0.25 -0.23 0.00 0.00 178.00 179.04 3ccz n THR 787 N -4.02 0.00 -2.16 1.56 -2.24 -1.26 -4.96 114.28 101.19 3ccz n THR 787 Ca -0.03 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3ccz n THR 787 Cb 0.57 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.35 -4.76 -0.13 3.42 5.15 -1.17 -4.88 115.26 113.24 3ccz n ASN 788 Ca 0.17 0.05 0.04 0.00 -0.60 0.00 0.00 54.58 54.24 3ccz n ASN 788 Cb 0.41 -3.84 -0.01 0.00 -0.53 0.00 0.00 39.78 35.80 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 -2.52 2.85 -3.12 1.20 1.02 -1.18 -4.42 120.64 114.47 3ccz n GLU 789 Ca -0.18 -0.39 -0.34 0.00 -0.02 0.00 0.00 57.16 56.23 3ccz n GLU 789 Cb 0.62 -0.96 -0.06 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.27 6.89 -0.44 1.62 1.01 -0.97 -4.13 116.67 119.39 3ccz s ASP 790 Ca 0.05 1.34 -0.15 0.00 0.71 0.00 0.00 52.55 54.50 3ccz s ASP 790 Cb 0.06 -2.39 0.05 0.00 1.01 0.00 0.00 42.92 41.64 3ccz s ASP 790 CO 0.22 -0.11 0.33 -0.22 0.21 0.00 0.00 175.17 175.60 3ccz s LEU 791 N -2.56 5.31 -0.08 1.23 2.96 -0.54 -0.65 118.68 124.35 3ccz s LEU 791 Ca 0.49 -1.11 -0.27 0.00 -0.22 0.00 0.00 54.13 53.02 3ccz s LEU 791 Cb -0.13 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3ccz s LEU 791 CO 0.19 -0.53 0.89 -0.47 -1.32 0.00 0.00 176.35 175.11 3ccz s TYR 792 N 1.65 3.55 0.03 5.38 5.04 -0.52 -1.15 117.35 131.32 3ccz s TYR 792 Ca 0.04 1.47 0.05 0.00 -2.44 0.00 0.00 57.07 56.20 3ccz s TYR 792 Cb -0.21 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 39.03 3ccz s TYR 792 CO 0.08 -0.10 -0.16 -1.50 -1.34 0.00 0.00 175.55 172.54 3ccz s ILE 793 N 1.48 1.26 0.01 3.14 2.07 -0.53 -1.82 121.20 126.80 3ccz s ILE 793 Ca 0.45 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.73 3ccz s ILE 793 Cb -0.19 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.29 3ccz s ILE 793 CO 0.20 0.14 0.01 -0.94 -1.91 0.00 0.00 174.94 172.44 3ccz s SER 794 N -0.93 0.11 -0.06 4.50 1.04 -0.65 -1.66 113.70 116.06 3ccz s SER 794 Ca 0.04 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.28 3ccz s SER 794 Cb -0.07 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 3ccz s SER 794 CO 0.01 -0.18 -0.20 0.00 0.98 0.00 0.00 173.24 173.84 3ccz s THR 796 N 0.05 1.94 -0.38 0.00 2.01 -0.81 -1.31 115.64 117.14 3ccz s THR 796 Ca -0.06 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.07 3ccz s THR 796 Cb -0.13 -1.75 0.11 0.00 0.01 0.00 0.00 72.50 70.74 3ccz s THR 796 CO 0.04 0.52 0.14 -0.04 -0.69 0.00 0.00 174.62 174.59 3ccz s MET 797 N 1.14 1.24 0.00 4.92 -1.94 -0.14 -1.90 119.30 122.62 3ccz s MET 797 Ca 0.00 -1.74 0.25 0.00 -1.71 0.00 0.00 55.69 52.49 3ccz s MET 797 Cb -0.14 -2.59 1.08 0.00 2.01 0.00 0.00 34.83 35.19 3ccz s MET 797 CO -0.08 -1.03 1.80 -0.35 -0.01 0.00 0.00 175.02 175.35 3ccz n PRO 798 N 4.12 0.03 -2.77 2.03 -0.04 -1.26 -1.33 135.00 135.77 3ccz n PRO 798 Ca 0.03 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3ccz n PRO 798 Cb 0.39 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.48 0.91 -4.58 3.54 3.41 -1.24 -2.78 113.62 111.39 3ccz n SER 799 Ca 0.06 -2.77 -0.42 0.00 -0.26 0.00 0.00 58.87 55.48 3ccz n SER 799 Cb 0.28 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.59 3.93 -0.42 -1.33 1.01 -0.39 -3.32 121.20 118.10 3ccz s ILE 800 Ca 0.29 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 61.59 3ccz s ILE 800 Cb 0.43 -4.52 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3ccz s ILE 800 CO 0.00 -1.15 0.64 -1.61 0.00 0.00 0.00 174.94 172.82 3ccz s GLU 801 N 5.11 3.35 0.11 2.79 2.02 -1.26 -1.03 118.70 129.79 3ccz s GLU 801 Ca 0.50 -0.30 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 3ccz s GLU 801 Cb -0.10 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.25 3ccz s GLU 801 CO 0.27 -0.96 0.45 -1.50 0.02 0.00 0.00 175.26 173.54 3ccz s ILE 802 N 2.79 0.05 -0.05 -1.63 2.07 -1.26 -4.90 121.20 118.27 3ccz s ILE 802 Ca 0.23 -0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 58.74 3ccz s ILE 802 Cb -0.14 -1.09 0.11 0.00 0.13 0.00 0.00 42.46 41.46 3ccz s ILE 802 CO 0.18 -0.24 0.91 -0.83 -1.91 0.00 0.00 174.94 173.05 3ccz s GLY 803 N -2.61 -0.42 0.00 1.50 0.00 -1.26 -3.67 107.32 100.86 3ccz s GLY 803 Ca 0.01 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.06 3ccz s GLY 803 CO -0.10 0.56 0.89 -1.30 0.00 0.00 0.00 173.10 173.15 3ccz n THR 804 N 0.08 0.62 -4.13 0.90 -2.24 -0.16 -4.83 114.28 104.52 3ccz n THR 804 Ca -0.10 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 3ccz n THR 804 Cb 0.60 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.72 0.64 0.00 2.28 -7.23 -1.24 -2.26 120.40 111.88 3ccz s VAL 805 Ca 0.06 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3ccz s VAL 805 Cb 0.03 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.32 3ccz s VAL 805 CO 0.04 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 3ccz n GLY 806 N 1.79 -1.84 7.00 2.32 0.00 -1.26 -4.37 105.19 108.83 3ccz n GLY 806 Ca -0.20 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.42 2.37 0.00 -0.02 0.00 -1.26 -2.61 105.19 102.25 3ccz n GLY 807 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.09 0.00 -0.02 0.00 -1.18 -2.63 105.19 100.28 3ccz n GLY 808 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.51 0.00 0.43 2.61 -2.24 -1.07 -2.99 114.28 109.51 3ccz n THR 809 Ca 0.04 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 3ccz n THR 809 Cb 0.20 -0.49 0.25 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.02 0.00 -3.70 3.42 2.35 -1.66 -3.42 115.58 112.58 3ccz h ASN 810 Ca 0.00 -0.04 -0.50 0.00 -0.55 0.00 0.00 56.30 55.22 3ccz h ASN 810 Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3ccz h ASN 810 CO 0.00 0.02 0.23 -0.76 -1.65 0.00 0.00 177.43 175.27 3ccz s LEU 811 N -5.11 4.40 0.15 1.61 1.43 -1.16 -4.97 118.68 115.02 3ccz s LEU 811 Ca 0.08 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 3ccz s LEU 811 Cb 0.10 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3ccz s LEU 811 CO 0.66 0.03 1.58 -0.07 0.23 0.00 0.00 176.35 178.78 3ccz h LEU 812 N 3.50 0.87 -0.90 1.79 3.38 -1.90 -1.26 115.31 120.79 3ccz h LEU 812 Ca -0.47 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.19 3ccz h LEU 812 Cb 1.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3ccz h LEU 812 CO 0.65 0.99 0.59 -0.65 0.09 0.00 0.00 178.44 180.11 3ccz h PRO 813 N 0.73 1.14 -0.09 1.13 0.11 -1.95 -1.63 132.00 131.44 3ccz h PRO 813 Ca 0.13 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 3ccz h PRO 813 Cb 0.57 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3ccz h PRO 813 CO 0.03 0.75 -0.47 1.96 -0.21 0.00 0.00 178.00 180.06 3ccz h GLN 814 N 1.17 0.21 0.00 1.05 7.50 -1.75 -2.63 115.11 120.66 3ccz h GLN 814 Ca 0.34 -0.11 -0.06 0.00 0.50 0.00 0.00 58.65 59.32 3ccz h GLN 814 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3ccz h GLN 814 CO -0.09 0.64 -0.27 1.96 -1.50 0.00 0.00 178.83 179.57 3ccz h GLN 815 N 0.17 0.00 -0.35 1.46 4.20 -0.78 -2.66 115.11 117.15 3ccz h GLN 815 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3ccz h GLN 815 Cb 0.90 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3ccz h GLN 815 CO 0.07 0.27 0.05 0.00 -0.67 0.00 0.00 178.83 178.55 3ccz h ALA 816 N 1.73 0.47 -0.23 3.87 0.00 -0.92 -0.18 119.26 123.99 3ccz h ALA 816 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3ccz h ALA 816 Cb 0.76 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ccz h ALA 816 CO 0.04 0.18 -0.36 0.00 0.00 0.00 0.00 179.25 179.11 3ccz h LEU 818 N 0.43 0.62 -0.98 0.00 3.38 -1.38 -3.06 115.31 114.31 3ccz h LEU 818 Ca 0.05 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3ccz h LEU 818 Cb 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3ccz h LEU 818 CO 0.07 0.84 -0.47 1.56 0.09 0.00 0.00 178.44 180.53 3ccz h GLN 819 N 0.54 0.00 -0.92 1.13 4.20 -0.71 -2.21 115.11 117.13 3ccz h GLN 819 Ca 0.08 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3ccz h GLN 819 Cb 0.69 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 3ccz h GLN 819 CO 0.05 0.47 0.61 0.52 -0.67 0.00 0.00 178.83 179.80 3ccz h MET 820 N 0.00 1.18 -0.00 1.46 2.86 -1.28 -2.62 114.93 116.53 3ccz h MET 820 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3ccz h MET 820 Cb 0.90 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3ccz h MET 820 CO 0.06 0.78 -0.23 1.28 1.06 0.00 0.00 176.91 179.86 3ccz n LEU 821 N -4.47 0.46 -0.48 1.22 4.77 -1.00 -4.68 117.00 112.82 3ccz n LEU 821 Ca 0.11 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 3ccz n LEU 821 Cb 0.04 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3ccz n LEU 821 CO 0.36 0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 177.07 3ccz n GLY 822 N 1.40 0.32 0.08 -0.72 0.00 -0.90 -4.94 105.19 100.43 3ccz n GLY 822 Ca 0.10 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.72 0.98 -2.21 1.61 0.24 -0.88 -5.00 118.33 109.34 3ccz n VAL 823 Ca -0.05 -1.09 -0.41 0.00 -2.04 0.00 0.00 64.34 60.74 3ccz n VAL 823 Cb 0.44 0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.27 4.39 1.48 7.34 -0.44 -1.20 -4.73 119.66 125.22 3ccz s GLN 824 Ca 0.09 2.06 0.00 0.00 -2.50 0.00 0.00 55.36 55.01 3ccz s GLN 824 Cb 0.08 -3.19 0.00 0.00 -1.64 0.00 0.00 33.01 28.26 3ccz s GLN 824 CO 0.01 -0.25 0.00 0.41 0.50 0.00 0.00 175.29 175.96 3ccz n GLY 825 N 2.32 -1.62 3.79 2.59 0.00 -0.96 -4.85 105.19 106.47 3ccz n GLY 825 Ca 0.06 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.22 3.60 -0.34 4.61 0.00 -1.26 -4.61 121.76 122.54 3ccz s ALA 826 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 3ccz s ALA 826 Cb 0.00 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.61 3ccz s ALA 826 CO 0.00 0.29 1.15 0.00 0.00 0.00 0.00 175.76 177.20 3ccz h LYS 828 N 8.61 0.17 -0.12 0.00 1.57 -1.99 -3.02 116.57 121.79 3ccz h LYS 828 Ca -0.22 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.32 3ccz h LYS 828 Cb 1.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3ccz h LYS 828 CO 1.05 0.68 -0.50 -0.44 -0.57 0.00 0.00 179.45 179.67 3ccz h ASP 829 N -0.32 0.34 -2.58 0.86 3.32 -2.06 -3.38 116.42 112.60 3ccz h ASP 829 Ca 0.00 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 56.29 3ccz h ASP 829 Cb 0.67 -0.10 -0.39 0.00 0.22 0.00 0.00 39.33 39.74 3ccz h ASP 829 CO 0.02 0.79 -0.89 0.21 -1.72 0.00 0.00 179.24 177.65 3ccz s ASN 830 N -6.89 2.27 0.13 6.45 2.47 -1.24 -5.12 114.94 113.01 3ccz s ASN 830 Ca -0.05 -2.94 -0.35 0.00 0.42 0.00 0.00 52.86 49.94 3ccz s ASN 830 Cb 0.12 -0.61 -0.16 0.00 -1.45 0.00 0.00 41.25 39.16 3ccz s ASN 830 CO 0.80 -0.20 1.39 -2.65 -3.72 0.00 0.00 177.10 172.72 3ccz n PRO 831 N 3.04 1.50 -0.56 0.43 -0.02 -1.14 -1.93 135.00 136.32 3ccz n PRO 831 Ca 0.24 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3ccz n PRO 831 Cb 0.43 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.70 0.78 0.18 -1.23 0.00 -1.25 -4.88 105.19 101.48 3ccz n GLY 832 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 3.74 0.49 -0.39 1.61 4.57 -1.69 -1.84 114.58 121.06 3ccz h GLU 833 Ca 0.00 -0.45 -0.13 0.00 -1.18 0.00 0.00 59.36 57.59 3ccz h GLU 833 Cb 0.00 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3ccz h GLU 833 CO 0.00 1.09 -0.27 -0.91 -1.18 0.00 0.00 179.01 177.74 3ccz h ASN 834 N 0.31 0.92 -0.47 1.04 2.35 -1.88 -0.54 115.58 117.30 3ccz h ASN 834 Ca -0.06 -0.43 -0.13 0.00 -0.55 0.00 0.00 56.30 55.12 3ccz h ASN 834 Cb 1.46 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 3ccz h ASN 834 CO 0.15 1.15 -0.22 0.00 -1.65 0.00 0.00 177.43 176.86 3ccz h ALA 835 N 0.79 0.69 -0.52 -0.83 0.00 -1.82 -1.76 119.26 115.81 3ccz h ALA 835 Ca 0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 835 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3ccz h ALA 835 CO 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.99 3ccz h ARG 836 N 0.85 0.90 -0.33 0.00 3.08 -1.30 -2.05 114.38 115.53 3ccz h ARG 836 Ca 0.11 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 3ccz h ARG 836 Cb 0.80 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3ccz h ARG 836 CO 0.07 0.90 -0.31 0.37 -1.07 0.00 0.00 179.97 179.93 3ccz h GLN 837 N 0.83 0.70 -0.20 0.04 5.75 -0.97 -2.05 115.11 119.20 3ccz h GLN 837 Ca 0.15 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.22 3ccz h GLN 837 Cb 0.51 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3ccz h GLN 837 CO 0.03 0.92 -0.39 1.25 -2.65 0.00 0.00 178.83 177.98 3ccz h LEU 838 N 0.59 0.48 -0.73 -2.39 5.85 -1.15 -1.50 115.31 116.46 3ccz h LEU 838 Ca 0.07 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 3ccz h LEU 838 Cb 0.82 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3ccz h LEU 838 CO 0.07 0.83 -0.20 0.00 -0.34 0.00 0.00 178.44 178.80 3ccz h ALA 839 N 1.20 0.91 -0.51 1.25 0.00 -1.17 -0.92 119.26 120.02 3ccz h ALA 839 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3ccz h ALA 839 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ccz h ALA 839 CO 0.07 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 3ccz h ARG 840 N 0.67 0.92 -0.45 0.00 3.08 -1.14 -1.77 114.38 115.69 3ccz h ARG 840 Ca 0.10 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 3ccz h ARG 840 Cb 0.69 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3ccz h ARG 840 CO 0.05 0.96 -0.10 0.82 -1.07 0.00 0.00 179.97 180.63 3ccz h ILE 841 N 0.83 1.26 -0.29 2.04 2.04 -1.00 -1.03 117.51 121.35 3ccz h ILE 841 Ca 0.14 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3ccz h ILE 841 Cb 0.60 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3ccz h ILE 841 CO 0.04 0.40 0.00 0.58 0.00 0.00 0.00 178.15 179.18 3ccz h VAL 842 N 0.74 1.26 -0.63 1.67 2.07 -0.96 -0.85 116.25 119.54 3ccz h VAL 842 Ca 0.12 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3ccz h VAL 842 Cb 0.59 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3ccz h VAL 842 CO 0.04 0.30 0.05 0.00 0.02 0.00 0.00 177.57 177.98 3ccz h GLY 844 N 1.02 0.96 1.63 0.00 0.00 -1.11 -2.18 103.07 103.39 3ccz h GLY 844 Ca 0.19 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 3ccz h GLY 844 CO 0.02 0.71 -0.65 -0.84 0.00 0.00 0.00 176.54 175.78 3ccz h THR 845 N 0.78 1.37 -0.71 4.70 2.02 -0.94 -2.31 112.91 117.81 3ccz h THR 845 Ca 0.12 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 3ccz h THR 845 Cb 0.69 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3ccz h THR 845 CO 0.05 0.61 0.43 0.58 0.37 0.00 0.00 175.52 177.56 3ccz h VAL 846 N 0.27 1.21 -0.66 3.16 2.07 -1.01 -1.14 116.25 120.15 3ccz h VAL 846 Ca -0.01 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3ccz h VAL 846 Cb 1.20 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3ccz h VAL 846 CO 0.11 0.21 0.27 -0.03 0.02 0.00 0.00 177.57 178.16 3ccz h MET 847 N 0.97 0.96 -0.56 1.57 -1.53 -1.17 0.63 114.93 115.82 3ccz h MET 847 Ca 0.26 -0.15 -0.02 0.00 -3.44 0.00 0.00 59.70 56.34 3ccz h MET 847 Cb -0.03 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 3ccz h MET 847 CO -0.05 0.78 0.27 0.00 0.14 0.00 0.00 176.91 178.05 3ccz h ALA 848 N 1.35 0.72 -0.69 0.39 0.00 -0.98 -1.74 119.26 118.30 3ccz h ALA 848 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ccz h ALA 848 Cb 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ccz h ALA 848 CO -0.02 0.28 0.23 0.78 0.00 0.00 0.00 179.25 180.52 3ccz h GLY 849 N 0.75 1.13 0.94 0.00 0.00 -0.55 -2.67 103.07 102.67 3ccz h GLY 849 Ca 0.19 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3ccz h GLY 849 CO -0.02 0.60 0.16 0.83 0.00 0.00 0.00 176.54 178.10 3ccz h GLU 850 N 1.02 0.62 -0.34 4.80 4.39 -0.65 -2.22 114.58 122.21 3ccz h GLU 850 Ca 0.23 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3ccz h GLU 850 Cb 0.27 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3ccz h GLU 850 CO -0.01 0.59 0.17 -0.07 -1.16 0.00 0.00 179.01 178.52 3ccz h LEU 851 N 0.52 0.25 -0.06 1.33 3.38 -1.12 -1.56 115.31 118.04 3ccz h LEU 851 Ca 0.14 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3ccz h LEU 851 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ccz h LEU 851 CO -0.01 0.18 -0.12 -1.28 0.09 0.00 0.00 178.44 177.31 3ccz h SER 852 N 0.35 0.21 -0.44 -0.43 0.87 -1.41 -2.26 113.55 110.44 3ccz h SER 852 Ca 0.14 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 3ccz h SER 852 Cb 0.05 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3ccz h SER 852 CO -0.10 0.73 -0.03 0.25 -0.53 0.00 0.00 176.83 177.15 3ccz h LEU 853 N -0.29 0.80 -1.25 2.23 5.85 -1.42 -1.76 115.31 119.47 3ccz h LEU 853 Ca 0.00 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 3ccz h LEU 853 Cb 0.69 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3ccz h LEU 853 CO 0.03 0.93 -0.06 0.24 -0.34 0.00 0.00 178.44 179.23 3ccz h MET 854 N 0.64 0.44 -0.32 1.25 2.86 -1.35 -1.31 114.93 117.14 3ccz h MET 854 Ca 0.12 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 3ccz h MET 854 Cb 0.54 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3ccz h MET 854 CO 0.03 0.52 -0.35 0.00 1.06 0.00 0.00 176.91 178.17 3ccz h ALA 855 N 1.53 0.79 -0.22 6.32 0.00 -1.20 -1.48 119.26 125.00 3ccz h ALA 855 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3ccz h ALA 855 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ccz h ALA 855 CO 0.02 0.65 -0.33 0.00 0.00 0.00 0.00 179.25 179.59 3ccz h ALA 856 N 1.02 1.03 -0.03 0.00 0.00 -0.77 -2.12 119.26 118.38 3ccz h ALA 856 Ca 0.06 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 3ccz h ALA 856 Cb 0.87 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ccz h ALA 856 CO 0.08 0.59 -0.88 -0.07 0.00 0.00 0.00 179.25 178.97 3ccz h LEU 857 N 0.39 0.55 -0.48 0.00 3.38 -1.16 -2.81 115.31 115.19 3ccz h LEU 857 Ca 0.05 -0.42 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 3ccz h LEU 857 Cb 0.77 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ccz h LEU 857 CO 0.06 1.20 -0.47 0.00 0.09 0.00 0.00 178.44 179.32 3ccz h ALA 858 N 0.77 0.66 0.00 1.53 0.00 -1.16 -3.14 119.26 117.92 3ccz h ALA 858 Ca -0.07 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 3ccz h ALA 858 Cb 1.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ccz h ALA 858 CO 0.15 0.67 -0.57 0.00 0.00 0.00 0.00 179.25 179.51 3ccz h ALA 859 N 0.90 0.71 0.00 0.00 0.00 -1.45 -3.50 119.26 115.91 3ccz h ALA 859 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ccz h ALA 859 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ccz h ALA 859 CO 0.10 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.47