#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cda h ASN 445 N 0.00 0.93 1.22 2.55 2.35 -1.99 -2.91 115.58 117.74 3cda h ASN 445 Ca 0.00 -0.55 -0.00 0.00 -0.55 0.00 0.00 56.30 55.20 3cda h ASN 445 Cb 0.00 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 3cda h ASN 445 CO 0.00 1.30 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.97 3cda h GLU 446 N 0.59 0.00 -0.02 0.81 5.08 -2.02 -3.19 114.58 115.84 3cda h GLU 446 Ca 0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3cda h GLU 446 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3cda h GLU 446 CO 0.12 0.01 -0.89 0.93 -1.00 0.00 0.00 179.01 178.18 3cda h GLU 447 N 0.00 0.39 -0.31 2.33 5.08 -2.02 -3.28 114.58 116.76 3cda h GLU 447 Ca -0.00 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 3cda h GLU 447 Cb 1.01 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3cda h GLU 447 CO 0.00 1.06 -0.19 0.00 -1.00 0.00 0.00 179.01 178.88 3cda h LEU 449 N 0.52 0.54 -0.85 0.00 3.38 -1.65 -2.76 115.31 114.49 3cda h LEU 449 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3cda h LEU 449 Cb 0.62 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3cda h LEU 449 CO 0.04 0.62 0.51 1.56 0.09 0.00 0.00 178.44 181.26 3cda h GLN 450 N 0.54 1.15 0.00 1.13 1.08 -1.53 -2.00 115.11 115.49 3cda h GLN 450 Ca 0.11 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 3cda h GLN 450 Cb 0.37 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3cda h GLN 450 CO 0.01 0.81 -0.28 0.82 -0.95 0.00 0.00 178.83 179.25 3cda h ILE 451 N 1.17 0.58 0.09 2.54 2.04 -1.37 -2.81 117.51 119.75 3cda h ILE 451 Ca 0.30 -1.41 -0.29 0.00 1.00 0.00 0.00 64.86 64.47 3cda h ILE 451 Cb -0.04 1.97 0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3cda h ILE 451 CO -0.06 0.27 -1.18 -0.07 0.00 0.00 0.00 178.15 177.12 3cda h LEU 452 N 0.00 0.89 -0.88 1.44 3.38 -1.24 -2.92 115.31 115.97 3cda h LEU 452 Ca -0.00 -0.80 -0.10 0.00 0.09 0.00 0.00 57.88 57.07 3cda h LEU 452 Cb 0.95 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3cda h LEU 452 CO 0.04 1.59 -0.46 1.23 0.09 0.00 0.00 178.44 180.93 3cda h GLY 453 N 0.30 0.00 -5.10 0.83 0.00 -1.28 -3.42 103.07 94.39 3cda h GLY 453 Ca -0.17 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.61 3cda h GLY 453 CO 0.23 0.00 0.99 -1.31 0.00 0.00 0.00 176.54 176.45 3cda s ASN 454 N -6.59 6.74 0.42 0.19 -0.87 -1.07 -4.90 114.94 108.85 3cda s ASN 454 Ca -0.00 2.18 0.18 0.00 -1.57 0.00 0.00 52.86 53.65 3cda s ASN 454 Cb 0.12 -2.55 0.95 0.00 -0.02 0.00 0.00 41.25 39.75 3cda s ASN 454 CO 0.71 -0.85 1.89 0.00 -2.57 0.00 0.00 177.10 176.29 3cda h ALA 455 N 8.78 1.30 -0.02 0.60 0.00 -1.91 -2.92 119.26 125.08 3cda h ALA 455 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3cda h ALA 455 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3cda h ALA 455 CO 0.94 0.35 -0.09 -0.85 0.00 0.00 0.00 179.25 179.60 3cda n GLU 456 N -3.86 1.73 0.00 0.00 0.28 -1.26 -4.65 120.64 112.88 3cda n GLU 456 Ca -0.02 -1.52 0.00 0.00 -0.16 0.00 0.00 57.16 55.46 3cda n GLU 456 Cb 0.37 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.85 3cda n GLU 456 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3cda n LYS 457 N 0.87 0.00 0.00 3.44 5.02 -1.11 -5.13 118.16 121.24 3cda n LYS 457 Ca 0.11 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3cda n LYS 457 Cb 0.48 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 3cda n LYS 457 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cda n GLY 458 N 2.21 -3.54 0.05 0.72 0.00 -1.10 -4.55 105.19 98.96 3cda n GLY 458 Ca 0.00 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.28 3cda n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda n ALA 459 N 0.20 2.61 0.29 4.61 0.00 -1.26 -3.33 120.51 123.63 3cda n ALA 459 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.40 3cda n ALA 459 Cb 0.00 -1.43 0.87 0.00 0.00 0.00 0.00 19.45 18.89 3cda n ALA 459 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3cda h LYS 460 N 0.22 0.00 0.00 0.00 3.64 -1.94 -2.31 116.57 116.19 3cda h LYS 460 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cda h LYS 460 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3cda h LYS 460 CO 0.00 0.06 -0.36 0.74 -2.27 0.00 0.00 179.45 177.61 3cda h PHE 461 N 0.00 0.00 -3.46 1.91 -1.00 -1.81 -3.47 116.94 109.11 3cda h PHE 461 Ca -0.00 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.33 3cda h PHE 461 Cb 0.19 0.00 0.07 0.00 3.61 0.00 0.00 35.95 39.82 3cda h PHE 461 CO 0.00 0.00 0.17 -0.51 -1.61 0.00 0.00 178.31 176.36 3cda s LEU 462 N -4.57 2.91 0.38 1.54 1.43 -0.87 -5.12 118.68 114.38 3cda s LEU 462 Ca 0.08 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 3cda s LEU 462 Cb 0.12 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3cda s LEU 462 CO 0.67 -1.53 0.29 -0.94 0.23 0.00 0.00 176.35 175.08 3cda s SER 463 N -4.51 5.02 0.08 2.29 1.04 -1.26 -5.04 113.70 111.31 3cda s SER 463 Ca 0.60 -0.70 -0.33 0.00 0.48 0.00 0.00 55.95 56.01 3cda s SER 463 Cb -0.10 -0.72 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 3cda s SER 463 CO 0.44 -0.49 1.62 0.44 0.98 0.00 0.00 173.24 176.23 3cda h ASP 464 N 1.22 -0.86 0.32 7.02 5.19 -1.99 -2.78 116.42 124.53 3cda h ASP 464 Ca -0.43 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.00 3cda h ASP 464 Cb 1.26 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 3cda h ASP 464 CO 0.60 -0.55 -0.12 0.00 -3.12 0.00 0.00 179.24 176.04 3cda h ALA 465 N -0.54 1.35 -0.10 3.45 0.00 -1.98 -2.70 119.26 118.74 3cda h ALA 465 Ca -0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3cda h ALA 465 Cb 0.71 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3cda h ALA 465 CO 0.09 0.15 -0.59 0.93 0.00 0.00 0.00 179.25 179.83 3cda h GLU 466 N 0.00 0.57 -0.44 0.00 5.08 -1.93 0.36 114.58 118.21 3cda h GLU 466 Ca -0.00 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 3cda h GLU 466 Cb 0.31 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3cda h GLU 466 CO 0.02 1.11 0.02 0.82 -1.00 0.00 0.00 179.01 179.97 3cda h ILE 467 N 0.19 1.23 -0.03 3.13 2.04 -1.36 -2.43 117.51 120.27 3cda h ILE 467 Ca -0.05 -0.91 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 3cda h ILE 467 Cb 1.24 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3cda h ILE 467 CO 0.12 0.32 -0.64 0.40 0.00 0.00 0.00 178.15 178.35 3cda h ILE 468 N 0.67 1.43 -0.37 -0.67 2.04 -1.40 -2.78 117.51 116.42 3cda h ILE 468 Ca 0.14 -2.11 -0.10 0.00 1.00 0.00 0.00 64.86 63.79 3cda h ILE 468 Cb 0.39 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3cda h ILE 468 CO 0.01 0.61 -0.16 -0.61 0.00 0.00 0.00 178.15 178.01 3cda h GLN 469 N 0.09 0.69 -0.27 2.37 4.15 -0.68 -2.41 115.11 119.05 3cda h GLN 469 Ca -0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 3cda h GLN 469 Cb 1.14 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3cda h GLN 469 CO 0.09 0.81 0.10 -0.07 -1.93 0.00 0.00 178.83 177.84 3cda h LEU 470 N 0.62 0.38 -0.25 -2.39 4.07 -1.23 -2.00 115.31 114.50 3cda h LEU 470 Ca 0.10 -0.17 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 3cda h LEU 470 Cb 0.62 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3cda h LEU 470 CO 0.04 0.45 -0.16 0.58 -1.08 0.00 0.00 178.44 178.27 3cda h VAL 471 N 0.28 1.30 -0.18 1.22 2.07 -1.44 -1.03 116.25 118.47 3cda h VAL 471 Ca 0.09 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3cda h VAL 471 Cb 0.19 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3cda h VAL 471 CO -0.01 0.40 -0.16 0.78 0.02 0.00 0.00 177.57 178.60 3cda h ASN 472 N 0.28 0.29 1.75 0.57 -0.26 -1.45 -1.80 115.58 114.96 3cda h ASN 472 Ca 0.05 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3cda h ASN 472 Cb 0.68 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3cda h ASN 472 CO 0.04 0.48 0.00 0.00 -1.06 0.00 0.00 177.43 176.89 3cda h ALA 473 N 1.55 1.00 0.00 -0.83 0.00 -1.32 -3.47 119.26 116.19 3cda h ALA 473 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cda h ALA 473 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3cda h ALA 473 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3cda n LYS 474 N -3.00 0.00 -0.18 0.00 5.02 -0.68 -4.95 118.16 114.37 3cda n LYS 474 Ca 0.03 0.28 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3cda n LYS 474 Cb 0.47 -3.61 0.01 0.00 -0.02 0.00 0.00 35.03 31.88 3cda n LYS 474 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cda h HIS 475 N 0.00 1.14 -3.36 2.13 3.86 -1.45 -3.44 115.15 114.04 3cda h HIS 475 Ca 0.00 -0.25 -0.55 0.00 -1.16 0.00 0.00 60.37 58.41 3cda h HIS 475 Cb 0.39 -0.28 -0.34 0.00 1.06 0.00 0.00 27.41 28.25 3cda h HIS 475 CO 0.00 1.07 -0.83 0.42 0.86 0.00 0.00 177.93 179.45 3cda s ILE 476 N -4.81 1.33 0.78 2.45 -1.09 -1.16 -5.02 121.20 113.67 3cda s ILE 476 Ca -0.12 -0.57 -0.13 0.00 -2.23 0.00 0.00 60.65 57.60 3cda s ILE 476 Cb 0.13 -1.21 0.06 0.00 -1.58 0.00 0.00 42.46 39.86 3cda s ILE 476 CO 0.86 0.40 1.17 -2.84 -1.23 0.00 0.00 174.94 173.30 3cda s PRO 477 N 0.76 1.93 0.16 2.79 0.02 -1.26 -4.16 135.00 135.24 3cda s PRO 477 Ca -0.12 1.60 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 3cda s PRO 477 Cb -0.16 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.59 3cda s PRO 477 CO 0.02 -1.96 1.65 0.00 -0.33 0.00 0.00 177.00 176.38 3cda h ALA 478 N -0.76 0.75 0.00 -1.55 0.00 -2.00 -3.00 119.26 112.70 3cda h ALA 478 Ca -0.46 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3cda h ALA 478 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3cda h ALA 478 CO 0.48 0.51 0.00 2.48 0.00 0.00 0.00 179.25 182.72 3cda n TYR 479 N -4.33 0.66 0.86 0.00 0.18 -1.26 -2.36 117.16 110.91 3cda n TYR 479 Ca 0.02 0.27 0.11 0.00 1.88 0.00 0.00 57.90 60.18 3cda n TYR 479 Cb 0.28 -0.93 0.50 0.00 -0.38 0.00 0.00 39.34 38.81 3cda n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3cda n LYS 480 N -2.11 0.11 0.08 -3.48 5.02 -1.13 -3.66 118.16 112.99 3cda n LYS 480 Ca 0.02 0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 3cda n LYS 480 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 3cda n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3cda h LEU 481 N 0.00 0.00 -0.43 -0.35 3.38 -1.65 -2.69 115.31 113.57 3cda h LEU 481 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3cda h LEU 481 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3cda h LEU 481 CO 0.00 0.64 0.26 -0.08 0.09 0.00 0.00 178.44 179.35 3cda h GLU 482 N 0.00 0.51 0.00 1.13 4.57 -1.78 -2.90 114.58 116.12 3cda h GLU 482 Ca -0.07 -0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.82 3cda h GLU 482 Cb 1.55 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.99 3cda h GLU 482 CO 0.07 0.34 -1.41 1.79 -1.18 0.00 0.00 179.01 178.61 3cda h THR 483 N 0.52 1.21 0.07 0.32 1.35 -1.77 -3.38 112.91 111.23 3cda h THR 483 Ca 0.17 -3.00 -0.14 0.00 -0.55 0.00 0.00 66.41 62.89 3cda h THR 483 Cb -0.01 2.60 0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3cda h THR 483 CO -0.07 0.69 -0.58 -0.07 -0.25 0.00 0.00 175.52 175.25 3cda h LEU 484 N 0.00 0.40 -9.85 3.87 4.07 -1.53 -3.46 115.31 108.80 3cda h LEU 484 Ca -0.17 -0.88 -0.51 0.00 0.08 0.00 0.00 57.88 56.40 3cda h LEU 484 Cb 1.91 -0.13 0.03 0.00 1.08 0.00 0.00 40.66 43.56 3cda h LEU 484 CO 0.10 1.24 0.50 -0.63 -1.08 0.00 0.00 178.44 178.57 3cda s ILE 485 N -2.72 3.32 -0.08 1.22 1.01 -1.09 -4.63 121.20 118.23 3cda s ILE 485 Ca -0.14 1.27 -0.01 0.00 0.00 0.00 0.00 60.65 61.76 3cda s ILE 485 Cb 0.01 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3cda s ILE 485 CO 0.80 0.26 0.07 -0.08 0.00 0.00 0.00 174.94 175.98 3cda h GLU 486 N 3.45 -0.05 -6.54 2.79 4.57 -1.91 -3.47 114.58 113.42 3cda h GLU 486 Ca -0.48 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.19 3cda h GLU 486 Cb 1.22 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 3cda h GLU 486 CO 0.66 -0.03 -0.04 0.95 -1.18 0.00 0.00 179.01 179.37 3cda s THR 487 N -1.66 4.83 0.09 0.32 -4.23 -1.26 -5.01 115.64 108.73 3cda s THR 487 Ca -0.01 0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 3cda s THR 487 Cb 0.00 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 3cda s THR 487 CO 0.02 -0.10 1.45 0.45 -0.54 0.00 0.00 174.62 175.90 3cda h HIS 488 N 2.48 0.69 -0.15 3.99 3.86 -1.98 -3.02 115.15 121.02 3cda h HIS 488 Ca -0.47 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 58.51 3cda h HIS 488 Cb 1.17 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 3cda h HIS 488 CO 0.62 0.85 -0.15 1.49 0.86 0.00 0.00 177.93 181.60 3cda h GLU 489 N 0.33 0.23 0.00 2.45 4.81 -1.95 -2.21 114.58 118.26 3cda h GLU 489 Ca 0.06 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3cda h GLU 489 Cb 0.68 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3cda h GLU 489 CO 0.04 0.39 -0.59 -0.09 -0.73 0.00 0.00 179.01 178.03 3cda h ARG 490 N 0.22 0.00 -0.80 1.92 2.43 -1.98 -1.88 114.38 114.29 3cda h ARG 490 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3cda h ARG 490 Cb 0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3cda h ARG 490 CO 0.02 0.59 0.33 0.78 -1.51 0.00 0.00 179.97 180.19 3cda h GLY 491 N 2.79 1.28 0.85 2.80 0.00 -1.28 -2.02 103.07 107.48 3cda h GLY 491 Ca -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 3cda h GLY 491 CO 0.08 0.65 -0.04 -2.08 0.00 0.00 0.00 176.54 175.14 3cda h VAL 492 N 1.16 1.28 -0.33 4.60 2.07 -1.27 -2.14 116.25 121.61 3cda h VAL 492 Ca 0.27 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3cda h VAL 492 Cb 0.20 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3cda h VAL 492 CO -0.02 0.32 0.11 -1.28 0.02 0.00 0.00 177.57 176.72 3cda h SER 493 N 0.23 0.12 0.16 0.57 0.87 -1.28 -1.61 113.55 112.61 3cda h SER 493 Ca 0.07 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 3cda h SER 493 Cb 0.50 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3cda h SER 493 CO 0.02 0.11 -0.47 0.40 -0.53 0.00 0.00 176.83 176.36 3cda h ILE 494 N 0.25 1.33 -0.50 2.23 2.04 -1.36 -2.29 117.51 119.21 3cda h ILE 494 Ca 0.15 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 3cda h ILE 494 Cb 0.12 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3cda h ILE 494 CO -0.15 0.51 0.03 -0.09 0.00 0.00 0.00 178.15 178.44 3cda h ARG 495 N 0.29 0.87 -0.53 2.37 2.43 -1.11 -1.18 114.38 117.51 3cda h ARG 495 Ca 0.02 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3cda h ARG 495 Cb 0.94 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3cda h ARG 495 CO 0.08 0.89 0.33 0.00 -1.51 0.00 0.00 179.97 179.76 3cda h ARG 496 N 0.74 0.72 -0.29 0.20 3.08 -1.16 0.93 114.38 118.60 3cda h ARG 496 Ca 0.15 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3cda h ARG 496 Cb 0.47 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3cda h ARG 496 CO 0.02 0.51 0.02 1.96 -1.07 0.00 0.00 179.97 181.41 3cda h GLN 497 N 0.72 0.49 -0.32 0.04 4.20 -1.23 0.30 115.11 119.31 3cda h GLN 497 Ca 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3cda h GLN 497 Cb -0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3cda h GLN 497 CO -0.04 0.62 0.15 -0.07 -0.67 0.00 0.00 178.83 178.83 3cda h LEU 498 N 0.29 0.41 -1.06 1.46 3.38 -1.12 -2.83 115.31 115.84 3cda h LEU 498 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cda h LEU 498 Cb 0.39 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3cda h LEU 498 CO 0.01 0.42 0.55 0.25 0.09 0.00 0.00 178.44 179.76 3cda h LEU 499 N 0.38 1.04 -0.84 1.67 5.85 -0.63 -3.16 115.31 119.63 3cda h LEU 499 Ca 0.11 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3cda h LEU 499 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3cda h LEU 499 CO -0.01 0.79 -0.22 0.28 -0.34 0.00 0.00 178.44 178.94 3cda h SER 500 N 1.21 0.63 0.70 1.25 0.02 -0.15 -2.55 113.55 114.66 3cda h SER 500 Ca 0.32 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3cda h SER 500 Cb -0.08 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 3cda h SER 500 CO -0.06 0.84 -0.13 0.11 -1.14 0.00 0.00 176.83 176.45 3cda h LYS 501 N 0.55 0.00 0.00 3.45 1.57 -1.49 -2.58 116.57 118.08 3cda h LYS 501 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3cda h LYS 501 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3cda h LYS 501 CO 0.05 0.13 -0.18 0.87 -0.57 0.00 0.00 179.45 179.74 3cda h LYS 502 N 0.00 0.00 -7.17 3.15 1.57 -1.54 -3.48 116.57 109.11 3cda h LYS 502 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 3cda h LYS 502 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3cda h LYS 502 CO 0.02 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 178.76 3cda s LEU 503 N -4.86 3.67 0.30 2.94 1.43 -0.97 -4.97 118.68 116.22 3cda s LEU 503 Ca 0.08 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 3cda s LEU 503 Cb 0.11 -4.52 0.49 0.00 0.03 0.00 0.00 46.19 42.30 3cda s LEU 503 CO 0.65 -0.61 1.85 0.77 0.23 0.00 0.00 176.35 179.23 3cda h SER 504 N 1.07 0.66 -3.65 2.29 4.64 -1.91 -3.32 113.55 113.32 3cda h SER 504 Ca -0.47 -0.12 -0.67 0.00 -0.47 0.00 0.00 61.79 60.06 3cda h SER 504 Cb 1.19 -0.17 -0.38 0.00 -0.31 0.00 0.00 62.40 62.72 3cda h SER 504 CO 0.61 0.68 -0.66 -0.70 -0.87 0.00 0.00 176.83 175.89 3cda s GLU 505 N -5.13 1.68 0.00 4.77 -6.30 -1.26 -5.00 118.70 107.46 3cda s GLU 505 Ca -0.09 -1.90 0.06 0.00 -2.50 0.00 0.00 54.97 50.55 3cda s GLU 505 Cb 0.16 -3.34 0.28 0.00 0.00 0.00 0.00 34.13 31.22 3cda s GLU 505 CO 0.79 -0.99 1.19 -2.30 0.02 0.00 0.00 175.26 173.97 3cda n PRO 506 N 4.31 0.01 -0.30 4.30 -0.02 -1.25 -1.97 135.00 140.08 3cda n PRO 506 Ca 0.02 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 3cda n PRO 506 Cb 0.41 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.62 3cda n PRO 506 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cda n SER 507 N -1.48 2.91 -0.26 2.55 3.41 -1.26 -4.57 113.62 114.92 3cda n SER 507 Ca 0.02 -2.08 -0.00 0.00 -0.26 0.00 0.00 58.87 56.54 3cda n SER 507 Cb 0.07 -0.38 0.12 0.00 -0.26 0.00 0.00 64.21 63.77 3cda n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cda h SER 508 N 2.93 0.62 0.00 4.04 0.02 -1.77 -2.65 113.55 116.75 3cda h SER 508 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3cda h SER 508 Cb 0.79 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3cda h SER 508 CO 0.04 0.38 0.00 0.18 -1.14 0.00 0.00 176.83 176.30 3cda n LEU 509 N -4.76 0.00 -0.21 5.07 4.77 -1.26 -4.28 117.00 116.33 3cda n LEU 509 Ca 0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3cda n LEU 509 Cb 0.20 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3cda n LEU 509 CO 0.28 0.00 0.73 -0.61 -1.33 0.00 0.00 177.39 176.47 3cda h GLN 510 N 0.00 -0.01 -0.25 3.23 4.15 -1.81 -2.54 115.11 117.88 3cda h GLN 510 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3cda h GLN 510 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3cda h GLN 510 CO 0.00 -0.01 0.00 0.66 -1.93 0.00 0.00 178.83 177.55 3cda n TYR 511 N -5.43 0.31 -2.42 3.99 4.02 -1.26 -4.76 117.16 111.61 3cda n TYR 511 Ca 0.07 -0.16 -0.43 0.00 -0.01 0.00 0.00 57.90 57.37 3cda n TYR 511 Cb 0.32 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.62 3cda n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3cda s LEU 512 N -1.64 3.76 0.62 7.72 2.96 -0.96 -5.02 118.68 126.11 3cda s LEU 512 Ca 0.34 1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 55.11 3cda s LEU 512 Cb 0.21 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 3cda s LEU 512 CO 0.30 -1.21 1.04 -2.16 -1.32 0.00 0.00 176.35 173.01 3cda s PRO 513 N 4.44 3.32 0.00 0.98 0.04 -1.26 -4.90 135.00 137.62 3cda s PRO 513 Ca 0.57 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3cda s PRO 513 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3cda s PRO 513 CO 0.27 -0.80 0.00 2.48 0.04 0.00 0.00 177.00 178.99 3cda n TYR 514 N -2.36 0.00 -2.50 0.56 0.18 -1.26 -1.77 117.16 110.01 3cda n TYR 514 Ca 0.08 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.50 3cda n TYR 514 Cb 0.53 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.46 3cda n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3cda s ARG 515 N 0.00 4.01 -1.28 -3.48 0.52 -1.26 -4.13 118.95 113.33 3cda s ARG 515 Ca 0.00 1.51 -0.03 0.00 -0.52 0.00 0.00 55.73 56.69 3cda s ARG 515 Cb 0.00 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 33.07 3cda s ARG 515 CO 0.00 -0.28 1.02 -0.25 0.02 0.00 0.00 175.30 175.82 3cda n ASP 516 N -0.36 -3.38 -4.25 0.23 8.00 -1.26 -5.01 116.55 110.52 3cda n ASP 516 Ca 0.06 -0.63 -0.27 0.00 0.71 0.00 0.00 54.79 54.67 3cda n ASP 516 Cb 0.50 -4.92 -0.15 0.00 -0.02 0.00 0.00 41.12 36.53 3cda n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cda s TYR 517 N -3.38 1.89 -1.05 1.24 5.04 -1.26 -5.07 117.35 114.76 3cda s TYR 517 Ca 0.21 -0.37 -0.22 0.00 -2.44 0.00 0.00 57.07 54.24 3cda s TYR 517 Cb -0.09 -1.15 0.04 0.00 0.35 0.00 0.00 41.96 41.10 3cda s TYR 517 CO 0.74 0.06 1.58 1.21 -1.34 0.00 0.00 175.55 177.80 3cda s ASN 518 N -1.00 6.32 0.26 4.32 3.84 -1.26 -4.78 114.94 122.64 3cda s ASN 518 Ca 0.08 -1.49 0.26 0.00 0.21 0.00 0.00 52.86 51.91 3cda s ASN 518 Cb -0.09 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 38.80 3cda s ASN 518 CO 0.01 -1.68 1.75 1.88 -2.79 0.00 0.00 177.10 176.27 3cda h TYR 519 N 9.68 0.00 0.00 0.43 -1.99 -1.97 -3.27 116.97 119.85 3cda h TYR 519 Ca 0.22 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.91 3cda h TYR 519 Cb 0.99 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 3cda h TYR 519 CO 1.29 0.00 -0.21 0.66 -0.00 0.00 0.00 178.16 179.91 3cda h SER 520 N 0.00 0.00 0.59 3.88 4.64 -1.95 -0.81 113.55 119.91 3cda h SER 520 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cda h SER 520 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3cda h SER 520 CO 0.00 0.21 -0.06 0.18 -0.87 0.00 0.00 176.83 176.28 3cda n LEU 521 N -4.09 0.16 -0.01 5.97 4.77 -1.23 -4.10 117.00 118.47 3cda n LEU 521 Ca -0.02 0.23 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3cda n LEU 521 Cb 0.28 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3cda n LEU 521 CO 0.35 0.03 -0.61 0.52 -1.33 0.00 0.00 177.39 176.35 3cda n VAL 522 N -1.25 0.11 -2.86 4.08 0.31 -0.55 -4.58 118.33 113.60 3cda n VAL 522 Ca 0.12 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 3cda n VAL 522 Cb 0.28 0.03 -0.04 0.00 -0.91 0.00 0.00 33.84 33.19 3cda n VAL 522 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3cda s MET 523 N -2.37 3.99 -0.66 5.55 1.75 -0.42 -1.73 119.30 125.41 3cda s MET 523 Ca -0.03 0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 55.13 3cda s MET 523 Cb 0.04 -3.73 0.00 0.00 2.84 0.00 0.00 34.83 33.97 3cda s MET 523 CO 0.27 -0.75 0.00 0.41 -0.65 0.00 0.00 175.02 174.30 3cda n GLY 524 N 4.11 0.05 0.41 2.11 0.00 -1.26 -4.85 105.19 105.75 3cda n GLY 524 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3cda n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda n ALA 525 N -1.38 0.94 0.00 4.61 0.00 -1.17 -5.04 120.51 118.47 3cda n ALA 525 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3cda n ALA 525 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3cda n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cda s GLU 528 N -0.95 1.20 -1.51 0.00 8.01 -1.26 -4.33 118.70 119.85 3cda s GLU 528 Ca -0.09 -1.58 -0.11 0.00 0.01 0.00 0.00 54.97 53.20 3cda s GLU 528 Cb -0.01 -0.52 0.08 0.00 -4.31 0.00 0.00 34.13 29.37 3cda s GLU 528 CO 0.08 -0.06 0.87 0.09 0.01 0.00 0.00 175.26 176.25 3cda n ASN 529 N -0.31 -3.68 -4.69 -0.19 3.02 -1.26 -4.88 115.26 103.27 3cda n ASN 529 Ca -0.07 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 3cda n ASN 529 Cb 0.63 -3.68 -0.03 0.00 -0.61 0.00 0.00 39.78 36.09 3cda n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cda s VAL 530 N -3.41 4.40 -0.96 2.41 1.01 -1.26 -4.91 120.40 117.68 3cda s VAL 530 Ca 0.52 1.71 0.08 0.00 0.00 0.00 0.00 61.98 64.30 3cda s VAL 530 Cb -0.27 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.11 3cda s VAL 530 CO 0.85 0.03 0.85 2.30 0.00 0.00 0.00 175.10 179.12 3cda n ILE 531 N 4.44 0.20 -1.16 2.22 -5.35 -1.26 -4.58 119.36 113.87 3cda n ILE 531 Ca 0.10 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 3cda n ILE 531 Cb 0.47 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3cda n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cda n GLY 532 N 0.42 -0.29 3.20 3.28 0.00 -1.26 -4.81 105.19 105.73 3cda n GLY 532 Ca 0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3cda n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cda s TYR 533 N -3.66 0.05 -0.30 1.61 -0.85 -0.73 -4.96 117.35 108.52 3cda s TYR 533 Ca 0.00 -0.32 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 3cda s TYR 533 Cb 0.00 -0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.35 3cda s TYR 533 CO 0.00 -0.47 0.04 1.41 -1.52 0.00 0.00 175.55 175.01 3cda s MET 534 N -2.91 2.76 -0.08 -3.49 -2.45 -1.26 -4.10 119.30 107.76 3cda s MET 534 Ca -0.02 -1.06 -0.30 0.00 -1.25 0.00 0.00 55.69 53.06 3cda s MET 534 Cb 0.01 -3.27 -0.04 0.00 1.25 0.00 0.00 34.83 32.78 3cda s MET 534 CO -0.06 -0.53 1.44 -2.14 1.05 0.00 0.00 175.02 174.78 3cda s PRO 535 N 1.38 4.23 -0.27 4.11 0.02 -1.26 -5.02 135.00 138.19 3cda s PRO 535 Ca -0.01 1.93 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 3cda s PRO 535 Cb -0.18 -3.80 -0.01 0.00 0.02 0.00 0.00 34.50 30.53 3cda s PRO 535 CO 0.00 -0.73 0.06 0.42 -0.33 0.00 0.00 177.00 176.43 3cda s ILE 536 N 3.43 4.03 0.21 2.83 -1.09 -1.26 -5.08 121.20 124.28 3cda s ILE 536 Ca 0.64 -0.45 -0.31 0.00 -2.23 0.00 0.00 60.65 58.29 3cda s ILE 536 Cb -0.28 -2.97 -0.15 0.00 -1.58 0.00 0.00 42.46 37.48 3cda s ILE 536 CO 0.23 0.23 1.21 -2.65 -1.23 0.00 0.00 174.94 172.73 3cda n PRO 537 N 4.88 1.47 -3.93 2.79 -0.02 -1.26 -4.75 135.00 134.17 3cda n PRO 537 Ca -0.16 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 3cda n PRO 537 Cb 0.50 -2.05 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 3cda n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cda s VAL 538 N -0.32 3.07 0.41 -1.45 1.01 -1.26 -1.74 120.40 120.12 3cda s VAL 538 Ca 0.69 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3cda s VAL 538 Cb -0.76 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3cda s VAL 538 CO 0.53 0.28 0.36 -0.83 0.00 0.00 0.00 175.10 175.43 3cda s GLY 539 N 1.39 2.13 -0.05 4.51 0.00 -0.67 -4.91 107.32 109.72 3cda s GLY 539 Ca 0.02 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 42.87 3cda s GLY 539 CO -0.04 -1.71 -0.09 0.54 0.00 0.00 0.00 173.10 171.80 3cda s VAL 540 N -2.47 0.86 -0.12 1.40 0.11 -1.26 -0.73 120.40 118.19 3cda s VAL 540 Ca 0.47 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 3cda s VAL 540 Cb -0.03 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 3cda s VAL 540 CO 0.27 0.29 -0.12 0.00 -3.33 0.00 0.00 175.10 172.21 3cda s ALA 541 N 0.62 2.67 0.00 1.54 0.00 -0.58 -4.92 121.76 121.09 3cda s ALA 541 Ca -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3cda s ALA 541 Cb -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3cda s ALA 541 CO 0.02 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3cda n GLY 542 N 3.28 -2.70 3.78 0.00 0.00 -1.26 -1.23 105.19 107.06 3cda n GLY 542 Ca -0.18 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 3cda n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cda s PRO 543 N -1.95 3.97 -0.32 1.61 0.04 -1.26 -4.96 135.00 132.14 3cda s PRO 543 Ca 0.00 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 3cda s PRO 543 Cb 0.00 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3cda s PRO 543 CO 0.00 -0.31 0.18 -1.17 0.04 0.00 0.00 177.00 175.73 3cda s LEU 544 N -2.97 4.23 -0.63 -3.56 2.96 0.02 -4.58 118.68 114.15 3cda s LEU 544 Ca 0.62 -0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 3cda s LEU 544 Cb -0.22 -2.04 0.08 0.00 0.50 0.00 0.00 46.19 44.51 3cda s LEU 544 CO 0.27 -0.21 0.87 0.00 -1.32 0.00 0.00 176.35 175.96 3cda s LEU 546 N 3.57 1.31 -1.40 0.00 2.96 -0.82 -0.55 118.68 123.75 3cda s LEU 546 Ca 0.19 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3cda s LEU 546 Cb -0.19 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.60 3cda s LEU 546 CO 0.09 -0.10 0.40 0.47 -1.32 0.00 0.00 176.35 175.89 3cda n ASP 547 N 4.81 -0.56 0.00 3.68 8.00 -0.61 -1.89 116.55 129.98 3cda n ASP 547 Ca -0.14 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3cda n ASP 547 Cb 0.50 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.74 3cda n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cda n GLU 548 N -4.43 -0.85 -4.16 -1.24 1.02 -1.26 -4.99 120.64 104.74 3cda n GLU 548 Ca -0.30 0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 3cda n GLU 548 Cb 0.68 -3.97 -0.07 0.00 -0.02 0.00 0.00 31.44 28.05 3cda n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cda s LYS 549 N -0.96 2.21 -0.06 3.49 1.02 -0.79 -5.14 119.74 119.50 3cda s LYS 549 Ca 0.00 -1.87 0.03 0.00 0.02 0.00 0.00 55.97 54.15 3cda s LYS 549 Cb 0.00 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 3cda s LYS 549 CO 0.00 -0.13 -0.13 -1.21 -0.92 0.00 0.00 175.35 172.96 3cda s GLU 550 N -3.90 1.76 -0.05 1.68 2.02 -1.26 -1.94 118.70 117.00 3cda s GLU 550 Ca 0.40 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.98 3cda s GLU 550 Cb 0.04 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 3cda s GLU 550 CO 0.22 0.06 -0.21 -0.06 0.02 0.00 0.00 175.26 175.29 3cda s PHE 551 N 0.56 2.06 -0.35 1.61 0.40 -0.64 -4.90 117.98 116.72 3cda s PHE 551 Ca -0.13 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.46 3cda s PHE 551 Cb -0.15 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.01 3cda s PHE 551 CO 0.04 -0.21 0.20 -0.65 0.70 0.00 0.00 175.22 175.30 3cda s GLN 552 N -0.01 3.07 -0.30 0.44 -1.52 -1.26 -0.80 119.66 119.29 3cda s GLN 552 Ca -0.05 -0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 52.32 3cda s GLN 552 Cb -0.13 -3.71 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 3cda s GLN 552 CO 0.03 -0.59 0.24 0.08 -0.25 0.00 0.00 175.29 174.81 3cda s VAL 553 N 1.60 5.27 0.19 1.09 1.01 -0.36 -4.58 120.40 124.62 3cda s VAL 553 Ca 0.04 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3cda s VAL 553 Cb -0.18 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3cda s VAL 553 CO 0.07 0.16 0.99 -2.16 0.00 0.00 0.00 175.10 174.16 3cda s PRO 554 N 1.82 4.74 -0.18 2.72 0.04 -1.26 -1.53 135.00 141.35 3cda s PRO 554 Ca 0.08 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 3cda s PRO 554 Cb -0.16 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.13 3cda s PRO 554 CO 0.11 0.31 0.04 -1.64 0.04 0.00 0.00 177.00 175.86 3cda s MET 555 N -0.65 0.53 -0.52 4.56 -1.94 0.09 -4.21 119.30 117.15 3cda s MET 555 Ca 0.45 -0.32 -0.22 0.00 -1.71 0.00 0.00 55.69 53.88 3cda s MET 555 Cb -0.26 -1.98 0.04 0.00 2.01 0.00 0.00 34.83 34.64 3cda s MET 555 CO 0.33 -0.63 0.81 0.00 -0.01 0.00 0.00 175.02 175.52 3cda s ALA 556 N 1.92 3.25 0.10 3.03 0.00 -0.08 -1.67 121.76 128.31 3cda s ALA 556 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 3cda s ALA 556 Cb -0.17 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3cda s ALA 556 CO -0.08 -2.17 0.41 -0.08 0.00 0.00 0.00 175.76 173.84 3cda s THR 557 N 3.42 0.06 -0.11 0.00 -1.32 -0.71 -4.28 115.64 112.69 3cda s THR 557 Ca 0.26 -0.53 0.14 0.00 -1.21 0.00 0.00 61.69 60.35 3cda s THR 557 Cb -0.14 -1.10 0.27 0.00 -1.51 0.00 0.00 72.50 70.02 3cda s THR 557 CO 0.18 -0.29 1.14 0.35 -2.21 0.00 0.00 174.62 173.78 3cda n THR 558 N -0.01 1.49 -3.36 5.08 -2.24 -1.26 -4.34 114.28 109.64 3cda n THR 558 Ca -0.17 -1.97 -0.40 0.00 -2.27 0.00 0.00 64.05 59.25 3cda n THR 558 Cb 0.63 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 3cda n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cda s GLU 559 N -2.24 3.90 0.13 -0.78 2.12 -1.26 -5.04 118.70 115.53 3cda s GLU 559 Ca 0.28 -0.03 -0.34 0.00 0.36 0.00 0.00 54.97 55.23 3cda s GLU 559 Cb 0.25 -3.70 -0.14 0.00 0.26 0.00 0.00 34.13 30.80 3cda s GLU 559 CO -0.01 -0.36 1.55 0.41 -0.54 0.00 0.00 175.26 176.31 3cda n GLY 560 N 4.72 1.02 2.57 -1.50 0.00 -1.26 -2.77 105.19 107.97 3cda n GLY 560 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3cda n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda h LEU 562 N 0.00 0.65 -0.30 0.00 5.85 -1.95 -0.18 115.31 119.38 3cda h LEU 562 Ca 0.00 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3cda h LEU 562 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3cda h LEU 562 CO 0.00 1.05 -0.01 0.58 -0.34 0.00 0.00 178.44 179.73 3cda h VAL 563 N 0.27 1.26 -0.18 1.05 2.07 -1.92 -1.76 116.25 117.04 3cda h VAL 563 Ca 0.02 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3cda h VAL 563 Cb 0.92 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3cda h VAL 563 CO 0.08 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.97 3cda h ALA 564 N 0.83 0.15 -0.68 1.67 0.00 -1.91 0.40 119.26 119.73 3cda h ALA 564 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3cda h ALA 564 Cb 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3cda h ALA 564 CO 0.02 -0.44 0.27 1.03 0.00 0.00 0.00 179.25 180.12 3cda h SER 565 N 0.05 0.93 -0.61 0.00 0.87 -1.06 -1.86 113.55 111.87 3cda h SER 565 Ca 0.09 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.41 3cda h SER 565 Cb 0.11 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3cda h SER 565 CO -0.15 0.85 0.14 0.74 -0.53 0.00 0.00 176.83 177.88 3cda h THR 566 N 0.96 1.25 -0.36 2.23 2.02 -0.90 -2.37 112.91 115.75 3cda h THR 566 Ca 0.23 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 3cda h THR 566 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3cda h THR 566 CO -0.02 0.35 0.12 -1.13 0.37 0.00 0.00 175.52 175.21 3cda h ASN 567 N 0.90 0.46 -0.58 4.18 -1.24 -0.73 -1.37 115.58 117.20 3cda h ASN 567 Ca 0.19 -0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 3cda h ASN 567 Cb 0.37 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 3cda h ASN 567 CO 0.00 0.44 0.10 -0.09 -1.29 0.00 0.00 177.43 176.59 3cda h ARG 568 N 0.51 0.97 -0.62 6.67 2.43 -0.85 -1.38 114.38 122.11 3cda h ARG 568 Ca 0.12 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3cda h ARG 568 Cb 0.14 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3cda h ARG 568 CO -0.01 0.92 0.30 0.78 -1.51 0.00 0.00 179.97 180.45 3cda h GLY 569 N 0.87 0.93 1.04 2.80 0.00 -0.95 -2.27 103.07 105.49 3cda h GLY 569 Ca 0.18 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3cda h GLY 569 CO 0.01 0.42 0.38 0.00 0.00 0.00 0.00 176.54 177.35 3cda h ARG 571 N 1.18 0.50 -0.63 0.00 9.65 -0.72 -2.00 114.38 122.36 3cda h ARG 571 Ca 0.28 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 3cda h ARG 571 Cb 0.15 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3cda h ARG 571 CO -0.03 0.53 0.22 0.00 2.80 0.00 0.00 179.97 183.49 3cda h ALA 572 N 0.95 1.20 -0.48 2.80 0.00 -1.35 -1.84 119.26 120.53 3cda h ALA 572 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3cda h ALA 572 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3cda h ALA 572 CO -0.00 0.57 0.15 0.82 0.00 0.00 0.00 179.25 180.79 3cda h ILE 573 N 0.92 1.23 -0.39 0.00 2.04 -1.16 -1.43 117.51 118.72 3cda h ILE 573 Ca 0.21 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 3cda h ILE 573 Cb 0.23 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3cda h ILE 573 CO -0.01 0.27 -0.20 1.23 0.00 0.00 0.00 178.15 179.44 3cda h GLY 574 N 0.65 0.83 1.61 5.37 0.00 -1.03 -0.96 103.07 109.54 3cda h GLY 574 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3cda h GLY 574 CO -0.01 0.63 0.00 1.04 0.00 0.00 0.00 176.54 178.21 3cda n LEU 575 N -4.12 0.00 -1.00 3.11 4.77 -0.72 -2.83 117.00 116.21 3cda n LEU 575 Ca 0.00 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3cda n LEU 575 Cb 0.42 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.41 3cda n LEU 575 CO 0.44 -0.02 0.69 0.61 -1.33 0.00 0.00 177.39 177.78 3cda n GLY 576 N 1.13 1.24 0.27 -0.72 0.00 -0.55 -4.82 105.19 101.74 3cda n GLY 576 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3cda n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 577 N 1.40 0.93 0.00 -0.02 0.00 -1.11 -4.65 105.19 101.73 3cda n GLY 577 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3cda n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 578 N -2.13 -1.52 3.93 -0.02 0.00 -0.45 -5.01 105.19 99.99 3cda n GLY 578 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 3cda n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda s ALA 579 N -3.06 3.88 0.01 4.61 0.00 0.29 -4.66 121.76 122.84 3cda s ALA 579 Ca 0.00 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.86 3cda s ALA 579 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 3cda s ALA 579 CO 0.00 0.39 -0.19 -1.12 0.00 0.00 0.00 175.76 174.84 3cda s SER 580 N -3.57 2.21 0.09 0.00 0.01 0.20 -1.57 113.70 111.06 3cda s SER 580 Ca 0.34 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.20 3cda s SER 580 Cb -0.10 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3cda s SER 580 CO 0.28 0.18 -0.06 -0.94 0.41 0.00 0.00 173.24 173.11 3cda s SER 581 N -0.77 1.00 0.01 2.44 1.04 -1.26 -0.68 113.70 115.48 3cda s SER 581 Ca 0.07 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3cda s SER 581 Cb -0.08 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3cda s SER 581 CO 0.00 -0.47 -0.02 -0.13 0.98 0.00 0.00 173.24 173.61 3cda s ARG 582 N -3.65 0.15 -0.25 4.02 1.81 -0.55 -4.99 118.95 115.48 3cda s ARG 582 Ca 0.09 -0.23 -0.21 0.00 -1.72 0.00 0.00 55.73 53.66 3cda s ARG 582 Cb 0.04 -0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.51 3cda s ARG 582 CO -0.05 -0.00 0.65 0.08 -0.68 0.00 0.00 175.30 175.29 3cda s VAL 583 N -0.51 4.97 -0.09 3.52 1.01 -1.26 -1.80 120.40 126.24 3cda s VAL 583 Ca -0.05 1.18 0.15 0.00 0.00 0.00 0.00 61.98 63.26 3cda s VAL 583 Cb -0.04 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 3cda s VAL 583 CO -0.00 0.02 0.74 0.18 0.00 0.00 0.00 175.10 176.04 3cda n LEU 584 N 5.68 0.84 -3.48 3.92 4.77 0.11 -4.99 117.00 123.85 3cda n LEU 584 Ca 0.00 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 3cda n LEU 584 Cb 0.49 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3cda n LEU 584 CO 0.43 0.25 0.48 0.00 -1.33 0.00 0.00 177.39 177.23 3cda s ALA 585 N -2.79 -1.62 -0.19 -1.18 0.00 -1.18 -4.97 121.76 109.83 3cda s ALA 585 Ca -0.04 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 3cda s ALA 585 Cb 0.08 0.77 0.09 0.00 0.00 0.00 0.00 23.12 24.06 3cda s ALA 585 CO 0.82 -0.78 0.38 0.34 0.00 0.00 0.00 175.76 176.52 3cda s ASP 586 N -2.71 -0.08 0.00 0.00 -1.08 -1.25 -1.57 116.67 109.98 3cda s ASP 586 Ca 0.03 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 3cda s ASP 586 Cb -0.01 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.64 3cda s ASP 586 CO -0.10 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 175.96 3cda n GLY 587 N 5.38 0.49 3.76 2.66 0.00 -0.48 -4.29 105.19 112.71 3cda n GLY 587 Ca -0.07 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 3cda n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cda s MET 588 N 0.00 2.72 0.13 1.61 1.75 -0.59 -1.55 119.30 123.38 3cda s MET 588 Ca 0.00 1.50 0.05 0.00 -1.25 0.00 0.00 55.69 55.99 3cda s MET 588 Cb 0.00 -1.93 -0.04 0.00 2.84 0.00 0.00 34.83 35.70 3cda s MET 588 CO 0.00 -1.33 -0.13 0.95 -0.65 0.00 0.00 175.02 173.86 3cda s THR 589 N -2.19 1.26 0.01 10.11 -4.23 -1.26 -1.48 115.64 117.87 3cda s THR 589 Ca 0.69 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3cda s THR 589 Cb -0.23 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 3cda s THR 589 CO 0.41 -0.52 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.31 3cda s ARG 590 N -2.99 0.43 -0.50 3.99 6.06 -0.70 -4.92 118.95 120.32 3cda s ARG 590 Ca 0.11 -0.35 0.07 0.00 -2.50 0.00 0.00 55.73 53.06 3cda s ARG 590 Cb -0.03 -0.34 0.28 0.00 0.06 0.00 0.00 34.95 34.92 3cda s ARG 590 CO 0.02 0.08 0.69 0.41 -2.50 0.00 0.00 175.30 174.01 3cda n GLY 591 N 2.50 4.03 3.61 8.12 0.00 -1.26 -0.98 105.19 121.21 3cda n GLY 591 Ca -0.16 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.35 3cda n GLY 591 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cda n PRO 592 N 0.82 0.01 -4.31 1.61 -0.04 -1.09 -0.18 135.00 131.82 3cda n PRO 592 Ca 0.26 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.45 3cda n PRO 592 Cb 0.49 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.58 3cda n PRO 592 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cda s VAL 593 N -2.23 3.44 0.36 0.52 0.11 -0.85 -2.09 120.40 119.66 3cda s VAL 593 Ca 0.68 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 59.31 3cda s VAL 593 Cb -0.28 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 3cda s VAL 593 CO 0.56 0.47 0.20 0.68 -3.33 0.00 0.00 175.10 173.69 3cda s VAL 594 N 0.82 2.99 -0.02 2.04 -7.23 -0.28 -2.24 120.40 116.48 3cda s VAL 594 Ca -0.02 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3cda s VAL 594 Cb -0.15 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.78 3cda s VAL 594 CO 0.01 -0.14 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.50 3cda s ARG 595 N -3.92 0.52 0.38 4.82 0.52 -0.01 -1.01 118.95 120.26 3cda s ARG 595 Ca 0.40 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.59 3cda s ARG 595 Cb -0.02 -0.56 -0.05 0.00 0.52 0.00 0.00 34.95 34.84 3cda s ARG 595 CO 0.24 -0.00 0.13 -0.51 0.02 0.00 0.00 175.30 175.18 3cda s LEU 596 N 0.45 3.12 0.23 2.53 1.02 -0.72 -0.65 118.68 124.67 3cda s LEU 596 Ca -0.05 -0.99 -0.07 0.00 0.02 0.00 0.00 54.13 53.04 3cda s LEU 596 Cb -0.09 -1.49 0.31 0.00 0.02 0.00 0.00 46.19 44.94 3cda s LEU 596 CO -0.00 -0.42 1.84 -0.65 0.02 0.00 0.00 176.35 177.13 3cda h PRO 597 N 1.54 0.85 -4.53 1.29 0.11 -1.88 -3.45 132.00 125.94 3cda h PRO 597 Ca -0.43 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 3cda h PRO 597 Cb 1.25 -0.19 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 3cda h PRO 597 CO 0.68 0.57 -0.70 1.03 -0.21 0.00 0.00 178.00 179.36 3cda s ARG 598 N -6.07 0.72 0.56 1.05 1.81 -1.26 -4.95 118.95 110.80 3cda s ARG 598 Ca -0.13 -1.19 0.29 0.00 -1.72 0.00 0.00 55.73 52.98 3cda s ARG 598 Cb 0.18 -0.12 1.65 0.00 -0.45 0.00 0.00 34.95 36.21 3cda s ARG 598 CO 0.78 -0.03 2.17 0.00 -0.68 0.00 0.00 175.30 177.55 3cda h ALA 599 N 3.31 1.42 -0.21 2.13 0.00 -1.87 -1.46 119.26 122.58 3cda h ALA 599 Ca -0.35 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3cda h ALA 599 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3cda h ALA 599 CO 0.60 0.07 -0.33 0.00 0.00 0.00 0.00 179.25 179.59 3cda h ASP 601 N 0.37 0.01 -0.89 0.00 3.32 -1.70 -1.58 116.42 115.95 3cda h ASP 601 Ca 0.04 -0.58 0.11 0.00 0.02 0.00 0.00 57.03 56.63 3cda h ASP 601 Cb 0.77 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 3cda h ASP 601 CO 0.06 0.58 0.57 0.77 -1.72 0.00 0.00 179.24 179.50 3cda h SER 602 N -0.57 0.76 -0.71 6.45 4.64 -1.39 0.08 113.55 122.81 3cda h SER 602 Ca 0.00 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3cda h SER 602 Cb 0.58 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3cda h SER 602 CO 0.00 0.43 0.20 0.00 -0.87 0.00 0.00 176.83 176.60 3cda h ALA 603 N 1.57 1.00 -0.60 5.18 0.00 -1.24 -1.67 119.26 123.50 3cda h ALA 603 Ca 0.42 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3cda h ALA 603 Cb 0.49 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3cda h ALA 603 CO -0.18 0.66 0.35 1.49 0.00 0.00 0.00 179.25 181.57 3cda h GLU 604 N 1.07 0.66 -0.39 0.00 4.81 0.03 -1.85 114.58 118.92 3cda h GLU 604 Ca 0.23 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 3cda h GLU 604 Cb 0.33 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3cda h GLU 604 CO -0.00 0.44 -0.27 0.28 -0.73 0.00 0.00 179.01 178.73 3cda h VAL 605 N 0.68 1.27 -0.32 0.32 2.07 -0.93 -1.31 116.25 118.04 3cda h VAL 605 Ca 0.25 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3cda h VAL 605 Cb 0.08 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3cda h VAL 605 CO -0.13 0.47 0.17 0.50 0.02 0.00 0.00 177.57 178.60 3cda h LYS 606 N 0.69 0.45 -0.34 1.57 3.64 -1.08 -0.83 116.57 120.67 3cda h LYS 606 Ca 0.09 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3cda h LYS 606 Cb 0.80 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3cda h LYS 606 CO 0.07 0.39 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 3cda h ALA 607 N 1.04 1.37 -0.47 5.00 0.00 -1.11 -1.76 119.26 123.33 3cda h ALA 607 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3cda h ALA 607 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3cda h ALA 607 CO -0.02 0.44 -0.04 2.35 0.00 0.00 0.00 179.25 181.98 3cda h TRP 608 N 0.50 0.94 0.00 0.00 7.01 -0.84 -2.63 115.95 120.94 3cda h TRP 608 Ca 0.11 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 3cda h TRP 608 Cb 0.33 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3cda h TRP 608 CO 0.01 0.91 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.43 3cda h LEU 609 N 0.70 0.00 0.00 0.65 3.38 -0.80 -2.97 115.31 116.27 3cda h LEU 609 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3cda h LEU 609 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3cda h LEU 609 CO 0.03 0.07 -0.53 -0.33 0.09 0.00 0.00 178.44 177.78 3cda h GLU 610 N 0.00 0.00 -7.17 1.13 5.08 -1.10 -3.34 114.58 109.18 3cda h GLU 610 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3cda h GLU 610 Cb 0.70 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.08 3cda h GLU 610 CO 0.01 0.26 0.40 0.95 -1.00 0.00 0.00 179.01 179.63 3cda s THR 611 N -3.08 2.69 0.35 1.13 -4.23 -1.01 -4.92 115.64 106.57 3cda s THR 611 Ca 0.03 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.92 3cda s THR 611 Cb 0.07 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.23 3cda s THR 611 CO 0.74 -0.18 1.98 -1.28 -0.54 0.00 0.00 174.62 175.34 3cda h SER 612 N -0.01 0.65 0.05 3.99 0.87 -1.89 -2.68 113.55 114.54 3cda h SER 612 Ca -0.48 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 59.87 3cda h SER 612 Cb 1.28 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 63.09 3cda h SER 612 CO 0.52 0.53 -0.69 -0.33 -0.53 0.00 0.00 176.83 176.32 3cda h GLU 613 N 0.75 0.38 -0.48 2.24 3.07 -1.91 -2.76 114.58 115.85 3cda h GLU 613 Ca 0.19 -0.48 -0.12 0.00 -0.50 0.00 0.00 59.36 58.45 3cda h GLU 613 Cb 0.02 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3cda h GLU 613 CO -0.03 1.16 -0.19 0.78 -1.40 0.00 0.00 179.01 179.33 3cda h GLY 614 N -0.18 1.04 0.94 -3.84 0.00 -1.66 -2.80 103.07 96.57 3cda h GLY 614 Ca -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 3cda h GLY 614 CO 0.13 0.81 0.15 -2.75 0.00 0.00 0.00 176.54 174.89 3cda h PHE 615 N 0.84 0.41 -0.91 5.60 3.57 -1.56 -2.66 116.94 122.23 3cda h PHE 615 Ca 0.12 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3cda h PHE 615 Cb 0.75 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3cda h PHE 615 CO 0.05 0.36 0.55 0.00 -2.23 0.00 0.00 178.31 177.04 3cda h ALA 616 N 1.01 1.32 -0.30 2.41 0.00 -1.40 0.18 119.26 122.48 3cda h ALA 616 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3cda h ALA 616 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3cda h ALA 616 CO -0.01 0.19 0.09 0.28 0.00 0.00 0.00 179.25 179.80 3cda h VAL 617 N 0.91 1.20 -0.46 0.00 2.07 -1.35 -1.94 116.25 116.68 3cda h VAL 617 Ca 0.44 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3cda h VAL 617 Cb 0.38 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3cda h VAL 617 CO -0.24 0.22 -0.09 0.40 0.02 0.00 0.00 177.57 177.87 3cda h ILE 618 N 0.32 1.26 -0.64 4.57 1.08 -1.03 -2.89 117.51 120.18 3cda h ILE 618 Ca 0.10 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 3cda h ILE 618 Cb 0.24 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3cda h ILE 618 CO -0.00 0.40 0.38 0.50 -0.69 0.00 0.00 178.15 178.74 3cda h LYS 619 N 0.75 0.88 -0.79 2.37 3.64 -0.50 -2.03 116.57 120.88 3cda h LYS 619 Ca 0.13 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3cda h LYS 619 Cb 0.58 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3cda h LYS 619 CO 0.04 0.63 0.37 1.49 -2.27 0.00 0.00 179.45 179.71 3cda h GLU 620 N 0.87 1.14 -0.21 1.90 4.81 -1.15 -0.74 114.58 121.20 3cda h GLU 620 Ca 0.23 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3cda h GLU 620 Cb -0.01 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 3cda h GLU 620 CO -0.04 0.89 -0.55 0.00 -0.73 0.00 0.00 179.01 178.58 3cda h ALA 621 N 1.19 0.63 -0.18 2.92 0.00 -1.35 -2.48 119.26 119.99 3cda h ALA 621 Ca 0.27 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3cda h ALA 621 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cda h ALA 621 CO -0.03 0.69 -0.02 0.35 0.00 0.00 0.00 179.25 180.23 3cda h PHE 622 N 0.50 0.37 0.00 0.00 3.57 -1.18 -3.27 116.94 116.93 3cda h PHE 622 Ca 0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3cda h PHE 622 Cb 1.11 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3cda h PHE 622 CO 0.05 0.57 0.00 -0.44 -2.23 0.00 0.00 178.31 176.26 3cda h ASP 623 N 0.07 0.00 1.00 0.41 5.19 -1.13 -3.03 116.42 118.93 3cda h ASP 623 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3cda h ASP 623 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 3cda h ASP 623 CO 0.01 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.90 3cda h SER 624 N 0.00 0.00 1.29 6.45 4.64 -1.49 -3.21 113.55 121.22 3cda h SER 624 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3cda h SER 624 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3cda h SER 624 CO 0.00 0.00 -0.29 0.71 -0.87 0.00 0.00 176.83 176.38 3cda h THR 625 N 0.00 0.58 -2.61 2.95 1.35 -1.68 -3.48 112.91 110.02 3cda h THR 625 Ca 0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3cda h THR 625 Cb 0.50 2.04 -0.14 0.00 -1.73 0.00 0.00 68.15 68.81 3cda h THR 625 CO 0.00 0.29 0.27 -0.55 -0.25 0.00 0.00 175.52 175.28 3cda s SER 626 N -6.28 -0.54 0.12 5.36 0.15 -1.21 -4.99 113.70 106.31 3cda s SER 626 Ca 0.03 0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 3cda s SER 626 Cb 0.08 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.87 3cda s SER 626 CO 0.68 -0.81 1.71 -0.09 1.20 0.00 0.00 173.24 175.93 3cda h ARG 627 N 2.22 0.01 -0.02 5.44 2.43 -1.92 -3.16 114.38 119.38 3cda h ARG 627 Ca -0.30 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3cda h ARG 627 Cb 1.26 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3cda h ARG 627 CO 0.37 0.01 -0.18 1.19 -1.51 0.00 0.00 179.97 179.84 3cda n PHE 628 N -5.16 0.00 -2.33 2.20 3.01 -1.26 -4.83 117.46 109.08 3cda n PHE 628 Ca -0.03 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.02 3cda n PHE 628 Cb 0.10 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3cda n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cda s ALA 629 N -2.26 2.53 -0.25 4.37 0.00 -1.20 -4.16 121.76 120.79 3cda s ALA 629 Ca 0.28 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3cda s ALA 629 Cb 0.20 -4.26 0.07 0.00 0.00 0.00 0.00 23.12 19.12 3cda s ALA 629 CO 0.44 -3.49 -0.03 1.03 0.00 0.00 0.00 175.76 173.71 3cda s ARG 630 N 6.22 1.49 -0.11 0.00 1.81 -1.26 -4.23 118.95 122.88 3cda s ARG 630 Ca 0.49 -1.05 -0.29 0.00 -1.72 0.00 0.00 55.73 53.16 3cda s ARG 630 Cb -0.10 -2.57 -0.03 0.00 -0.45 0.00 0.00 34.95 31.80 3cda s ARG 630 CO 0.18 -0.66 1.44 -1.17 -0.68 0.00 0.00 175.30 174.41 3cda s LEU 631 N 1.39 4.25 0.90 2.53 2.96 -1.26 -4.06 118.68 125.39 3cda s LEU 631 Ca -0.03 1.95 -0.11 0.00 -0.22 0.00 0.00 54.13 55.71 3cda s LEU 631 Cb -0.19 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.15 3cda s LEU 631 CO -0.08 -0.83 1.24 -1.10 -1.32 0.00 0.00 176.35 174.26 3cda s GLN 632 N 3.65 0.85 0.11 1.98 -0.21 -0.32 -4.99 119.66 120.72 3cda s GLN 632 Ca 0.63 -0.69 -0.36 0.00 0.02 0.00 0.00 55.36 54.96 3cda s GLN 632 Cb -0.27 -1.99 -0.16 0.00 1.00 0.00 0.00 33.01 31.59 3cda s GLN 632 CO 0.22 -2.19 1.40 1.17 -2.12 0.00 0.00 175.29 173.77 3cda n LYS 633 N -3.52 1.45 -2.51 2.91 4.81 -1.26 -4.63 118.16 115.42 3cda n LYS 633 Ca 0.16 0.52 -0.41 0.00 -0.87 0.00 0.00 58.31 57.71 3cda n LYS 633 Cb 0.60 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.41 3cda n LYS 633 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3cda s LEU 634 N 0.61 4.50 -0.14 3.14 1.43 -1.26 -4.68 118.68 122.27 3cda s LEU 634 Ca 0.82 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 56.00 3cda s LEU 634 Cb -0.87 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 3cda s LEU 634 CO 0.44 -0.21 0.00 -2.28 0.23 0.00 0.00 176.35 174.54 3cda s HIS 635 N -0.39 3.13 0.08 0.29 5.65 -1.18 -4.99 115.29 117.88 3cda s HIS 635 Ca 0.49 -0.05 0.04 0.00 0.25 0.00 0.00 55.06 55.78 3cda s HIS 635 Cb -0.30 -1.94 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 3cda s HIS 635 CO 0.36 0.17 -0.11 0.95 -0.65 0.00 0.00 174.74 175.46 3cda s THR 636 N 0.00 0.89 -0.01 0.89 -4.23 -1.26 -0.48 115.64 111.44 3cda s THR 636 Ca 0.03 -1.43 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3cda s THR 636 Cb -0.13 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.61 3cda s THR 636 CO 0.02 -0.44 0.02 -0.44 -0.54 0.00 0.00 174.62 173.24 3cda s SER 637 N -2.08 0.03 -0.09 3.99 0.01 -0.68 -4.99 113.70 109.88 3cda s SER 637 Ca 0.00 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 3cda s SER 637 Cb -0.06 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3cda s SER 637 CO 0.01 -0.07 0.20 -0.63 0.41 0.00 0.00 173.24 173.16 3cda s ILE 638 N 0.54 5.40 -0.41 1.44 1.01 -1.26 -0.82 121.20 127.10 3cda s ILE 638 Ca -0.04 0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3cda s ILE 638 Cb -0.06 -3.48 0.14 0.00 0.01 0.00 0.00 42.46 39.07 3cda s ILE 638 CO -0.02 0.60 0.24 0.00 0.00 0.00 0.00 174.94 175.77 3cda s ALA 639 N -0.99 1.64 0.00 9.38 0.00 -0.76 -5.01 121.76 126.01 3cda s ALA 639 Ca 0.17 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.82 3cda s ALA 639 Cb -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3cda s ALA 639 CO 0.06 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3cda n GLY 640 N 3.68 2.89 0.23 0.00 0.00 -1.26 -2.00 105.19 108.74 3cda n GLY 640 Ca 0.11 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3cda n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cda n ARG 641 N 13.33 1.07 -2.64 1.61 1.85 -1.26 -4.34 116.66 126.28 3cda n ARG 641 Ca 0.00 -0.46 -0.38 0.00 -1.00 0.00 0.00 57.85 56.01 3cda n ARG 641 Cb 0.00 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 3cda n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cda s ASN 642 N -2.25 7.16 -0.11 2.89 0.01 -0.85 -1.76 114.94 120.04 3cda s ASN 642 Ca 0.34 2.00 -0.02 0.00 -0.71 0.00 0.00 52.86 54.48 3cda s ASN 642 Cb 0.21 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.31 3cda s ASN 642 CO 0.42 -0.20 0.01 -0.22 -1.51 0.00 0.00 177.10 175.60 3cda s LEU 643 N -2.03 0.78 -0.21 0.60 2.96 -0.18 -1.83 118.68 118.77 3cda s LEU 643 Ca 0.51 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 3cda s LEU 643 Cb -0.23 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 3cda s LEU 643 CO 0.29 -0.22 0.24 -0.31 -1.32 0.00 0.00 176.35 175.03 3cda s TYR 644 N 1.92 3.37 -0.18 5.38 1.51 -0.00 -1.12 117.35 128.23 3cda s TYR 644 Ca 0.03 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 3cda s TYR 644 Cb -0.14 -2.33 0.03 0.00 -0.11 0.00 0.00 41.96 39.42 3cda s TYR 644 CO -0.06 0.12 -0.13 0.42 -1.11 0.00 0.00 175.55 174.78 3cda s ILE 645 N 0.90 1.69 -0.66 2.71 1.01 -0.89 -1.69 121.20 124.27 3cda s ILE 645 Ca 0.12 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 3cda s ILE 645 Cb -0.13 -1.66 0.14 0.00 0.01 0.00 0.00 42.46 40.81 3cda s ILE 645 CO 0.04 0.33 0.71 -0.60 0.00 0.00 0.00 174.94 175.41 3cda s ARG 646 N 1.41 3.20 -0.03 2.79 3.52 0.37 -3.03 118.95 127.17 3cda s ARG 646 Ca 0.02 -1.69 -0.30 0.00 -0.13 0.00 0.00 55.73 53.63 3cda s ARG 646 Cb -0.15 -4.37 -0.03 0.00 -1.56 0.00 0.00 34.95 28.85 3cda s ARG 646 CO -0.10 -1.46 1.02 -0.06 -0.81 0.00 0.00 175.30 173.89 3cda s PHE 647 N 1.91 3.57 -0.05 5.12 0.40 -0.15 -3.09 117.98 125.69 3cda s PHE 647 Ca 0.13 1.61 0.04 0.00 -0.60 0.00 0.00 56.93 58.11 3cda s PHE 647 Cb -0.21 -3.18 -0.00 0.00 0.51 0.00 0.00 43.02 40.14 3cda s PHE 647 CO 0.01 -0.25 -0.18 -1.14 0.70 0.00 0.00 175.22 174.36 3cda s GLN 648 N 1.38 1.94 -0.12 0.44 0.74 -1.26 -1.72 119.66 121.06 3cda s GLN 648 Ca 0.52 -0.63 -0.23 0.00 0.05 0.00 0.00 55.36 55.07 3cda s GLN 648 Cb -0.21 -1.64 0.05 0.00 1.10 0.00 0.00 33.01 32.32 3cda s GLN 648 CO 0.25 0.22 0.56 0.45 -0.55 0.00 0.00 175.29 176.22 3cda s SER 649 N 0.14 -0.54 0.98 6.67 0.15 -0.55 -1.17 113.70 119.38 3cda s SER 649 Ca -0.07 0.79 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 3cda s SER 649 Cb -0.13 0.78 0.18 0.00 -1.71 0.00 0.00 66.02 65.14 3cda s SER 649 CO 0.03 -0.40 1.09 -0.13 1.20 0.00 0.00 173.24 175.03 3cda s ARG 650 N -0.57 0.51 -0.05 5.44 0.52 -1.26 -1.54 118.95 122.01 3cda s ARG 650 Ca -0.07 1.10 0.18 0.00 -0.52 0.00 0.00 55.73 56.43 3cda s ARG 650 Cb -0.03 -1.70 0.33 0.00 0.52 0.00 0.00 34.95 34.07 3cda s ARG 650 CO 0.05 -2.84 1.14 -1.13 0.02 0.00 0.00 175.30 172.54 3cda n SER 651 N -4.33 0.40 0.00 0.23 3.41 -1.26 -4.30 113.62 107.78 3cda n SER 651 Ca 0.07 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3cda n SER 651 Cb 0.54 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3cda n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cda n GLY 652 N 0.11 3.36 0.63 5.00 0.00 -1.26 -2.48 105.19 110.56 3cda n GLY 652 Ca -0.04 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3cda n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cda n ASP 653 N 6.16 2.30 -4.84 1.61 8.00 -1.26 -3.71 116.55 124.81 3cda n ASP 653 Ca 0.00 -1.65 -0.32 0.00 0.71 0.00 0.00 54.79 53.53 3cda n ASP 653 Cb 0.00 0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3cda n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cda s ALA 654 N -2.25 2.98 0.18 2.24 0.00 -1.03 -0.08 121.76 123.79 3cda s ALA 654 Ca 0.21 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 3cda s ALA 654 Cb 0.18 -3.13 0.09 0.00 0.00 0.00 0.00 23.12 20.25 3cda s ALA 654 CO 0.47 -0.59 1.74 1.98 0.00 0.00 0.00 175.76 179.36 3cda h MET 655 N 0.26 0.92 0.00 0.00 4.05 -1.73 -3.43 114.93 115.01 3cda h MET 655 Ca -0.46 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 3cda h MET 655 Cb 1.19 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 3cda h MET 655 CO 0.60 0.78 0.00 0.41 0.23 0.00 0.00 176.91 178.93 3cda n GLY 656 N -0.84 0.90 0.21 1.39 0.00 -1.26 -4.71 105.19 100.87 3cda n GLY 656 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3cda n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cda h MET 657 N 0.69 0.68 -0.22 1.61 2.86 -1.94 -1.85 114.93 116.75 3cda h MET 657 Ca 0.00 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3cda h MET 657 Cb 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3cda h MET 657 CO 0.00 0.57 -0.08 -0.91 1.06 0.00 0.00 176.91 177.55 3cda h ASN 658 N 0.61 0.46 -0.19 1.22 2.35 -1.99 -2.52 115.58 115.52 3cda h ASN 658 Ca 0.16 -0.39 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3cda h ASN 658 Cb 0.12 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3cda h ASN 658 CO -0.02 0.74 0.09 -0.03 -1.65 0.00 0.00 177.43 176.56 3cda h MET 659 N 0.17 0.19 -0.56 0.81 4.05 -1.97 -2.15 114.93 115.48 3cda h MET 659 Ca 0.05 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 3cda h MET 659 Cb 0.55 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3cda h MET 659 CO 0.03 0.12 -0.01 0.82 0.23 0.00 0.00 176.91 178.10 3cda h ILE 660 N 0.19 1.26 -0.58 1.77 5.03 -1.37 -1.74 117.51 122.07 3cda h ILE 660 Ca 0.08 -1.11 0.03 0.00 -0.12 0.00 0.00 64.86 63.74 3cda h ILE 660 Cb 0.02 0.84 -0.04 0.00 -3.03 0.00 0.00 36.82 34.60 3cda h ILE 660 CO -0.05 0.40 0.34 0.28 -0.68 0.00 0.00 178.15 178.43 3cda h SER 661 N 0.88 0.53 -0.48 1.72 0.02 -1.29 0.23 113.55 115.16 3cda h SER 661 Ca 0.16 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3cda h SER 661 Cb 0.53 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3cda h SER 661 CO 0.03 0.37 0.17 0.11 -1.14 0.00 0.00 176.83 176.36 3cda h LYS 662 N 0.66 0.74 -0.67 3.45 1.79 -1.00 -1.57 116.57 119.97 3cda h LYS 662 Ca 0.24 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3cda h LYS 662 Cb 0.07 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3cda h LYS 662 CO -0.12 0.69 0.25 0.78 -1.08 0.00 0.00 179.45 179.97 3cda h GLY 663 N 0.65 1.07 1.35 3.86 0.00 -1.00 -2.96 103.07 106.03 3cda h GLY 663 Ca 0.16 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3cda h GLY 663 CO -0.01 0.54 -0.03 -0.84 0.00 0.00 0.00 176.54 176.21 3cda h THR 664 N 0.97 1.25 -0.21 4.70 2.02 -0.02 -1.77 112.91 119.85 3cda h THR 664 Ca 0.22 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 3cda h THR 664 Cb 0.21 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3cda h THR 664 CO -0.02 0.36 -0.43 -0.33 0.37 0.00 0.00 175.52 175.48 3cda h GLU 665 N 0.73 0.66 -0.40 6.66 5.08 -1.17 -1.46 114.58 124.68 3cda h GLU 665 Ca 0.14 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 3cda h GLU 665 Cb 0.48 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3cda h GLU 665 CO 0.02 1.05 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.61 3cda h LYS 666 N 0.36 0.83 -0.77 2.33 1.63 -1.50 -0.81 116.57 118.65 3cda h LYS 666 Ca 0.01 -0.36 -0.04 0.00 -0.85 0.00 0.00 60.65 59.41 3cda h LYS 666 Cb 1.03 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 3cda h LYS 666 CO 0.10 1.00 0.33 0.00 -3.45 0.00 0.00 179.45 177.42 3cda h ALA 667 N 0.99 1.13 0.00 5.00 0.00 -1.29 -1.49 119.26 123.60 3cda h ALA 667 Ca 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3cda h ALA 667 Cb 0.80 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3cda h ALA 667 CO 0.07 0.63 -0.63 -0.07 0.00 0.00 0.00 179.25 179.25 3cda h LEU 668 N 1.11 0.00 -0.45 0.00 3.38 -1.09 -1.69 115.31 116.57 3cda h LEU 668 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3cda h LEU 668 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3cda h LEU 668 CO -0.03 0.63 -0.01 -1.28 0.09 0.00 0.00 178.44 177.84 3cda h SER 669 N 0.00 0.79 -0.12 -0.43 0.87 -0.82 -1.31 113.55 112.52 3cda h SER 669 Ca -0.01 -0.31 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 3cda h SER 669 Cb 1.33 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3cda h SER 669 CO 0.08 0.91 -0.19 0.50 -0.53 0.00 0.00 176.83 177.60 3cda h LYS 670 N 0.65 0.53 -0.06 2.24 1.63 -1.17 -2.43 116.57 117.96 3cda h LYS 670 Ca 0.13 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 3cda h LYS 670 Cb 0.51 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 3cda h LYS 670 CO 0.03 0.70 -0.36 1.25 -3.45 0.00 0.00 179.45 177.61 3cda h LEU 671 N 0.48 0.12 -1.33 5.20 5.85 -1.12 -2.68 115.31 121.82 3cda h LEU 671 Ca 0.08 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3cda h LEU 671 Cb 0.60 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3cda h LEU 671 CO 0.04 0.48 -0.33 -0.74 -0.34 0.00 0.00 178.44 177.54 3cda h HIS 672 N 0.10 0.00 -0.17 1.25 2.76 -0.74 -1.77 115.15 116.58 3cda h HIS 672 Ca 0.01 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 3cda h HIS 672 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3cda h HIS 672 CO 0.01 0.33 -0.37 0.93 -1.30 0.00 0.00 177.93 177.53 3cda h GLU 673 N 0.00 0.37 0.00 5.26 5.08 -1.32 -2.12 114.58 121.85 3cda h GLU 673 Ca -0.00 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3cda h GLU 673 Cb 0.61 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3cda h GLU 673 CO 0.04 0.69 -0.71 1.88 -1.00 0.00 0.00 179.01 179.91 3cda h TYR 674 N 0.31 0.00 -2.28 4.33 -1.99 -1.52 -3.41 116.97 112.41 3cda h TYR 674 Ca 0.03 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.18 3cda h TYR 674 Cb 0.79 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.14 3cda h TYR 674 CO 0.02 0.44 -1.01 1.19 -0.00 0.00 0.00 178.16 178.81 3cda n PHE 675 N -3.10 -0.77 0.29 4.88 3.01 -0.69 -5.01 117.46 116.08 3cda n PHE 675 Ca -0.01 -3.37 0.15 0.00 1.01 0.00 0.00 57.45 55.23 3cda n PHE 675 Cb 0.73 0.12 0.89 0.00 -0.01 0.00 0.00 39.48 41.21 3cda n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3cda h PRO 676 N 5.25 0.00 0.00 -1.08 0.13 -1.63 -2.01 132.00 132.66 3cda h PRO 676 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3cda h PRO 676 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3cda h PRO 676 CO 0.39 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.56 3cda n GLU 677 N -3.87 0.34 -2.20 0.86 1.02 -1.26 -4.82 120.64 110.71 3cda n GLU 677 Ca -0.03 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3cda n GLU 677 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 3cda n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3cda s MET 678 N -2.62 3.97 -0.05 3.49 1.75 -0.76 -4.56 119.30 120.53 3cda s MET 678 Ca 0.24 1.70 -0.22 0.00 -1.25 0.00 0.00 55.69 56.16 3cda s MET 678 Cb 0.18 -3.95 -0.04 0.00 2.84 0.00 0.00 34.83 33.86 3cda s MET 678 CO 0.42 -1.07 0.65 -1.14 -0.65 0.00 0.00 175.02 173.23 3cda s GLN 679 N 4.25 4.40 -0.60 4.11 0.74 0.18 -4.93 119.66 127.81 3cda s GLN 679 Ca 0.66 0.80 -0.21 0.00 0.05 0.00 0.00 55.36 56.66 3cda s GLN 679 Cb -0.25 -3.41 0.07 0.00 1.10 0.00 0.00 33.01 30.52 3cda s GLN 679 CO 0.25 0.17 0.85 0.42 -0.55 0.00 0.00 175.29 176.43 3cda s ILE 680 N 0.45 4.54 -0.06 -2.34 1.01 -1.26 -0.83 121.20 122.71 3cda s ILE 680 Ca 0.34 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 3cda s ILE 680 Cb -0.18 -4.55 -0.22 0.00 0.01 0.00 0.00 42.46 37.52 3cda s ILE 680 CO 0.17 -1.21 1.08 0.25 0.00 0.00 0.00 174.94 175.23 3cda h LEU 681 N 10.70 0.09 -7.20 2.97 6.46 -1.79 -3.46 115.31 123.07 3cda h LEU 681 Ca -0.28 -0.70 -0.09 0.00 -0.12 0.00 0.00 57.88 56.69 3cda h LEU 681 Cb 1.08 -0.03 -0.23 0.00 -0.73 0.00 0.00 40.66 40.75 3cda h LEU 681 CO 1.11 0.78 -0.12 0.00 -0.62 0.00 0.00 178.44 179.59 3cda s ALA 682 N -3.42 -1.28 0.27 1.25 0.00 -1.17 -5.03 121.76 112.39 3cda s ALA 682 Ca -0.17 1.47 0.30 0.00 0.00 0.00 0.00 51.96 53.57 3cda s ALA 682 Cb 0.00 -0.86 1.37 0.00 0.00 0.00 0.00 23.12 23.63 3cda s ALA 682 CO 0.70 -0.25 2.00 -0.24 0.00 0.00 0.00 175.76 177.98 3cda h VAL 683 N 4.39 0.36 -3.43 0.00 3.04 -1.89 -2.25 116.25 116.47 3cda h VAL 683 Ca -0.28 -0.66 -0.65 0.00 -1.01 0.00 0.00 66.70 64.11 3cda h VAL 683 Cb 1.18 1.48 -0.36 0.00 -2.01 0.00 0.00 31.29 31.57 3cda h VAL 683 CO 0.18 0.11 -0.82 -0.55 -1.01 0.00 0.00 177.57 175.48 3cda s SER 684 N -5.95 3.58 -0.32 3.17 0.15 -1.26 -2.66 113.70 110.42 3cda s SER 684 Ca -0.01 -0.94 0.09 0.00 0.70 0.00 0.00 55.95 55.79 3cda s SER 684 Cb 0.11 -1.40 0.73 0.00 -1.71 0.00 0.00 66.02 63.75 3cda s SER 684 CO 0.57 -0.11 1.78 0.61 1.20 0.00 0.00 173.24 177.30 3cda n GLY 685 N 4.60 3.58 2.39 9.45 0.00 0.75 -4.70 105.19 121.26 3cda n GLY 685 Ca -0.17 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 3cda n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cda n ASN 686 N -0.15 -4.40 -1.26 1.61 4.13 -1.22 -4.74 115.26 109.23 3cda n ASN 686 Ca 0.40 0.17 0.12 0.00 1.68 0.00 0.00 54.58 56.95 3cda n ASN 686 Cb 1.37 -2.50 0.29 0.00 -1.54 0.00 0.00 39.78 37.40 3cda n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cda n TYR 687 N -2.61 0.83 0.17 3.10 9.36 -1.15 -4.57 117.16 122.29 3cda n TYR 687 Ca -0.07 -0.41 -0.13 0.00 3.32 0.00 0.00 57.90 60.61 3cda n TYR 687 Cb 0.32 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.96 3cda n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cda s THR 689 N -4.40 4.00 -0.22 0.00 2.01 -1.26 -4.76 115.64 111.00 3cda s THR 689 Ca -0.14 -0.35 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 3cda s THR 689 Cb 0.02 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3cda s THR 689 CO 0.50 0.57 0.05 -0.62 -0.69 0.00 0.00 174.62 174.42 3cda s ASP 690 N -0.47 5.11 -1.90 3.53 2.15 -1.26 -4.53 116.67 119.30 3cda s ASP 690 Ca 0.08 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.89 3cda s ASP 690 Cb -0.12 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 3cda s ASP 690 CO 0.02 0.03 0.00 0.29 -0.17 0.00 0.00 175.17 175.34 3cda n LYS 691 N 4.50 -1.42 -4.02 4.34 5.02 -1.26 -4.98 118.16 120.35 3cda n LYS 691 Ca -0.16 1.09 -0.12 0.00 -2.02 0.00 0.00 58.31 57.09 3cda n LYS 691 Cb 0.52 -5.50 -0.13 0.00 -0.02 0.00 0.00 35.03 29.90 3cda n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cda s LYS 692 N -4.12 0.31 0.12 1.97 3.01 -1.26 -4.95 119.74 114.81 3cda s LYS 692 Ca 0.00 -0.38 -0.31 0.00 -1.01 0.00 0.00 55.97 54.26 3cda s LYS 692 Cb 0.00 -0.15 -0.10 0.00 -1.01 0.00 0.00 37.83 36.57 3cda s LYS 692 CO 0.00 0.03 1.74 -1.25 0.51 0.00 0.00 175.35 176.38 3cda s PRO 693 N -0.78 4.16 -0.15 -1.68 0.04 -1.26 -4.73 135.00 130.59 3cda s PRO 693 Ca -0.06 2.50 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 3cda s PRO 693 Cb -0.05 -3.49 0.05 0.00 0.04 0.00 0.00 34.50 31.04 3cda s PRO 693 CO -0.00 -0.78 0.39 0.00 0.04 0.00 0.00 177.00 176.65 3cda s ALA 694 N 2.38 -0.97 0.44 8.56 0.00 -1.26 -5.03 121.76 125.88 3cda s ALA 694 Ca 0.77 1.27 0.25 0.00 0.00 0.00 0.00 51.96 54.26 3cda s ALA 694 Cb -0.44 -0.76 1.42 0.00 0.00 0.00 0.00 23.12 23.34 3cda s ALA 694 CO 0.34 -0.22 2.08 0.00 0.00 0.00 0.00 175.76 177.97 3cda h ALA 695 N 6.30 1.39 -0.80 0.00 0.00 -1.94 -2.52 119.26 121.69 3cda h ALA 695 Ca -0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3cda h ALA 695 Cb 1.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3cda h ALA 695 CO 0.28 0.14 0.48 0.97 0.00 0.00 0.00 179.25 181.12 3cda h ILE 696 N 0.00 1.22 -0.18 0.00 2.10 -1.97 -0.56 117.51 118.12 3cda h ILE 696 Ca -0.00 -0.48 -0.12 0.00 1.08 0.00 0.00 64.86 65.34 3cda h ILE 696 Cb 0.29 0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.10 3cda h ILE 696 CO 0.01 0.23 -0.40 0.78 -1.08 0.00 0.00 178.15 177.70 3cda h ASN 697 N 1.09 0.43 -0.64 2.19 2.35 -1.73 0.58 115.58 119.85 3cda h ASN 697 Ca 0.29 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3cda h ASN 697 Cb -0.05 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3cda h ASN 697 CO -0.05 0.79 0.13 -0.25 -1.65 0.00 0.00 177.43 176.40 3cda h TRP 698 N 0.34 1.10 0.06 1.19 2.91 -1.36 -0.68 115.95 119.52 3cda h TRP 698 Ca 0.03 -0.14 -0.34 0.00 1.13 0.00 0.00 58.89 59.57 3cda h TRP 698 Cb 0.85 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 3cda h TRP 698 CO 0.03 0.92 -1.94 -0.89 -1.03 0.00 0.00 178.44 175.53 3cda n ILE 699 N -4.29 1.65 0.38 2.65 5.41 -0.29 -4.27 119.36 120.61 3cda n ILE 699 Ca 0.04 -0.45 0.12 0.00 1.00 0.00 0.00 62.75 63.45 3cda n ILE 699 Cb 0.26 -1.78 0.11 0.00 -0.71 0.00 0.00 39.64 37.53 3cda n ILE 699 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3cda h GLU 700 N -0.32 0.00 -1.18 0.38 4.39 -1.03 -3.51 114.58 113.31 3cda h GLU 700 Ca -0.46 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.36 3cda h GLU 700 Cb 1.79 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 3cda h GLU 700 CO -0.07 0.00 -0.41 0.41 -1.16 0.00 0.00 179.01 177.78 3cda n GLY 701 N 1.26 -2.77 3.41 -3.84 0.00 -0.26 -5.01 105.19 97.98 3cda n GLY 701 Ca 0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3cda n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cda s ARG 702 N -3.28 0.57 7.55 1.61 3.52 -1.08 -4.70 118.95 123.14 3cda s ARG 702 Ca 0.00 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 3cda s ARG 702 Cb 0.00 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3cda s ARG 702 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 3cda n GLY 703 N 3.24 2.90 3.69 8.12 0.00 -0.59 -2.85 105.19 119.69 3cda n GLY 703 Ca -0.16 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3cda n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cda s LYS 704 N 0.00 4.20 -0.15 1.61 -0.14 0.60 -1.38 119.74 124.48 3cda s LYS 704 Ca 0.00 0.18 -0.16 0.00 -1.36 0.00 0.00 55.97 54.63 3cda s LYS 704 Cb 0.00 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 3cda s LYS 704 CO 0.00 0.04 0.40 -1.12 -0.76 0.00 0.00 175.35 173.91 3cda s SER 705 N 0.90 6.55 0.01 2.83 0.01 -0.61 -0.56 113.70 122.83 3cda s SER 705 Ca 0.19 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.10 3cda s SER 705 Cb -0.14 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3cda s SER 705 CO 0.07 0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 173.01 3cda s VAL 706 N 0.77 0.20 0.10 3.43 1.01 -0.33 0.06 120.40 125.64 3cda s VAL 706 Ca 0.21 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3cda s VAL 706 Cb -0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3cda s VAL 706 CO 0.08 -0.17 -0.23 0.54 0.00 0.00 0.00 175.10 175.32 3cda s VAL 707 N -0.62 1.91 0.01 2.92 0.11 -0.75 -0.62 120.40 123.35 3cda s VAL 707 Ca -0.05 -1.56 -0.08 0.00 -2.93 0.00 0.00 61.98 57.35 3cda s VAL 707 Cb -0.05 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3cda s VAL 707 CO -0.00 0.04 0.15 0.00 -3.33 0.00 0.00 175.10 171.96 3cda s GLU 709 N -1.55 1.04 0.12 0.00 -1.05 0.14 -1.46 118.70 115.94 3cda s GLU 709 Ca -0.13 -0.15 -0.25 0.00 -0.15 0.00 0.00 54.97 54.29 3cda s GLU 709 Cb -0.07 0.48 0.07 0.00 -0.44 0.00 0.00 34.13 34.17 3cda s GLU 709 CO 0.01 -0.37 0.62 0.00 0.95 0.00 0.00 175.26 176.47 3cda s ALA 710 N -2.24 -1.64 -0.11 -0.84 0.00 -0.35 -0.63 121.76 115.96 3cda s ALA 710 Ca -0.06 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3cda s ALA 710 Cb -0.01 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3cda s ALA 710 CO 0.00 -0.69 -0.14 0.08 0.00 0.00 0.00 175.76 175.01 3cda s VAL 711 N -3.24 2.99 -0.29 0.00 1.01 -1.26 -1.16 120.40 118.46 3cda s VAL 711 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3cda s VAL 711 Cb -0.01 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.18 3cda s VAL 711 CO -0.08 0.54 -0.02 -0.63 0.00 0.00 0.00 175.10 174.91 3cda s ILE 712 N 0.16 2.97 0.47 2.22 -1.09 0.13 -4.59 121.20 121.46 3cda s ILE 712 Ca -0.07 -1.28 -0.21 0.00 -2.23 0.00 0.00 60.65 56.85 3cda s ILE 712 Cb -0.15 -2.65 -0.11 0.00 -1.58 0.00 0.00 42.46 37.96 3cda s ILE 712 CO 0.05 -0.02 0.55 -2.65 -1.23 0.00 0.00 174.94 171.63 3cda n PRO 713 N 4.64 0.59 -0.29 2.79 -0.02 -1.26 -0.78 135.00 140.66 3cda n PRO 713 Ca -0.14 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.62 3cda n PRO 713 Cb 0.44 -1.59 0.22 0.00 -0.02 0.00 0.00 33.50 32.55 3cda n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cda h ALA 714 N 0.65 1.26 -0.92 3.55 0.00 -1.93 -1.22 119.26 120.65 3cda h ALA 714 Ca -0.42 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3cda h ALA 714 Cb 1.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3cda h ALA 714 CO 0.50 -0.07 0.61 -0.22 0.00 0.00 0.00 179.25 180.07 3cda h LYS 715 N 0.64 1.19 -0.04 0.00 3.64 -1.90 -2.22 116.57 117.88 3cda h LYS 715 Ca 0.45 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.60 3cda h LYS 715 Cb 0.61 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3cda h LYS 715 CO -0.35 0.79 -0.68 0.28 -2.27 0.00 0.00 179.45 177.23 3cda h VAL 716 N 1.23 1.42 -0.28 2.00 2.07 -1.60 -1.63 116.25 119.46 3cda h VAL 716 Ca 0.34 -2.17 -0.08 0.00 0.82 0.00 0.00 66.70 65.62 3cda h VAL 716 Cb -0.12 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3cda h VAL 716 CO -0.08 0.64 -0.17 0.58 0.02 0.00 0.00 177.57 178.56 3cda h VAL 717 N 0.14 1.24 0.05 2.57 2.07 -0.90 -1.79 116.25 119.64 3cda h VAL 717 Ca -0.02 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3cda h VAL 717 Cb 1.21 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3cda h VAL 717 CO 0.10 0.36 -0.02 0.03 0.02 0.00 0.00 177.57 178.06 3cda h ARG 718 N 0.45 -0.06 0.14 1.57 3.08 -1.22 -2.13 114.38 116.22 3cda h ARG 718 Ca 0.08 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.84 3cda h ARG 718 Cb 0.55 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.64 3cda h ARG 718 CO 0.04 0.58 -1.26 0.93 -1.07 0.00 0.00 179.97 179.18 3cda h GLU 719 N -0.85 0.46 0.08 0.04 5.08 -1.34 -2.09 114.58 115.96 3cda h GLU 719 Ca -0.01 -0.68 -0.37 0.00 -1.00 0.00 0.00 59.36 57.30 3cda h GLU 719 Cb 0.66 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3cda h GLU 719 CO 0.01 1.30 -2.14 0.28 -1.00 0.00 0.00 179.01 177.46 3cda n VAL 720 N -3.68 1.67 0.90 3.13 0.31 -0.68 -4.55 118.33 115.43 3cda n VAL 720 Ca -0.12 -0.60 0.10 0.00 -0.01 0.00 0.00 64.34 63.72 3cda n VAL 720 Cb 1.01 -1.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.28 3cda n VAL 720 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3cda n LEU 721 N -3.47 1.83 -2.97 7.52 4.77 -1.12 -5.00 117.00 118.56 3cda n LEU 721 Ca -0.37 -0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 54.64 3cda n LEU 721 Cb 1.01 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.14 3cda n LEU 721 CO 0.35 0.35 -0.00 0.29 -1.33 0.00 0.00 177.39 177.05 3cda n LYS 722 N -0.16 -4.84 -0.48 3.23 4.76 -0.78 -4.65 118.16 115.23 3cda n LYS 722 Ca 0.08 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 3cda n LYS 722 Cb 0.42 -5.75 0.00 0.00 -1.84 0.00 0.00 35.03 27.85 3cda n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cda n THR 723 N -4.51 0.00 -4.45 -0.18 5.66 -1.03 -4.71 114.28 105.05 3cda n THR 723 Ca -0.12 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 3cda n THR 723 Cb 0.62 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.30 3cda n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cda s THR 724 N -2.55 2.13 0.28 1.09 -4.23 -1.26 -3.22 115.64 107.88 3cda s THR 724 Ca 0.00 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.21 3cda s THR 724 Cb 0.00 -2.35 0.27 0.00 1.34 0.00 0.00 72.50 71.75 3cda s THR 724 CO 0.00 -0.38 1.94 0.74 -0.54 0.00 0.00 174.62 176.38 3cda h THR 725 N 2.27 1.19 -0.36 3.99 2.02 -1.91 -2.21 112.91 117.91 3cda h THR 725 Ca -0.40 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 3cda h THR 725 Cb 1.25 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3cda h THR 725 CO 0.64 0.22 -0.24 -0.08 0.37 0.00 0.00 175.52 176.42 3cda h GLU 726 N 1.18 0.72 -0.25 6.66 4.81 -1.91 -2.04 114.58 123.74 3cda h GLU 726 Ca 0.35 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3cda h GLU 726 Cb -0.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3cda h GLU 726 CO -0.09 0.89 -0.51 0.00 -0.73 0.00 0.00 179.01 178.57 3cda h ALA 727 N 1.10 0.62 -0.46 2.92 0.00 -1.91 -2.38 119.26 119.15 3cda h ALA 727 Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3cda h ALA 727 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3cda h ALA 727 CO 0.06 0.68 0.20 0.52 0.00 0.00 0.00 179.25 180.71 3cda h MET 728 N 0.56 0.69 0.06 0.00 2.86 -1.24 -2.11 114.93 115.74 3cda h MET 728 Ca 0.02 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3cda h MET 728 Cb 1.08 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3cda h MET 728 CO 0.11 0.61 -0.03 0.82 1.06 0.00 0.00 176.91 179.47 3cda h ILE 729 N 0.61 1.04 -0.95 -1.22 2.04 -1.37 -0.64 117.51 117.02 3cda h ILE 729 Ca 0.16 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.77 3cda h ILE 729 Cb 0.17 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 3cda h ILE 729 CO -0.02 0.09 0.58 -0.08 0.00 0.00 0.00 178.15 178.73 3cda h GLU 730 N -0.25 0.90 -0.16 2.37 4.81 -1.34 -0.89 114.58 120.02 3cda h GLU 730 Ca -0.01 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3cda h GLU 730 Cb 0.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3cda h GLU 730 CO 0.01 0.60 -0.34 0.28 -0.73 0.00 0.00 179.01 178.83 3cda h VAL 731 N 0.93 1.35 -0.16 0.32 2.07 -1.23 -2.73 116.25 116.79 3cda h VAL 731 Ca 0.47 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3cda h VAL 731 Cb 0.46 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3cda h VAL 731 CO -0.27 0.48 0.11 -1.13 0.02 0.00 0.00 177.57 176.78 3cda h ASN 732 N 0.13 0.19 -0.19 0.57 -1.24 -0.45 0.29 115.58 114.88 3cda h ASN 732 Ca 0.00 -0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.04 3cda h ASN 732 Cb 0.94 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 3cda h ASN 732 CO 0.07 0.13 -0.03 0.40 -1.29 0.00 0.00 177.43 176.72 3cda h ILE 733 N 0.22 0.82 0.00 2.57 2.04 -1.26 -0.21 117.51 121.69 3cda h ILE 733 Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3cda h ILE 733 Cb -0.02 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3cda h ILE 733 CO -0.01 0.00 -0.57 0.59 0.00 0.00 0.00 178.15 178.16 3cda n ASN 734 N -5.18 0.62 -0.03 1.72 3.02 -1.02 -1.04 115.26 113.35 3cda n ASN 734 Ca -0.03 0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.53 3cda n ASN 734 Cb 0.12 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3cda n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cda n LYS 735 N -1.93 0.20 0.24 3.52 4.81 0.97 -2.21 118.16 123.77 3cda n LYS 735 Ca 0.04 0.08 0.13 0.00 -0.87 0.00 0.00 58.31 57.69 3cda n LYS 735 Cb 0.41 -0.85 0.42 0.00 0.02 0.00 0.00 35.03 35.02 3cda n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3cda h ASN 736 N -0.38 0.00 0.00 3.14 2.35 -1.15 -2.15 115.58 117.38 3cda h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cda h ASN 736 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3cda h ASN 736 CO 0.00 0.09 -0.63 0.18 -1.65 0.00 0.00 177.43 175.42 3cda n LEU 737 N -3.16 1.34 -0.07 1.61 4.77 -1.06 -4.14 117.00 116.29 3cda n LEU 737 Ca 0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 3cda n LEU 737 Cb 0.44 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3cda n LEU 737 CO 0.32 -0.38 0.49 0.58 -1.33 0.00 0.00 177.39 177.07 3cda h VAL 738 N -0.63 1.32 -0.15 4.08 2.07 -1.24 -0.92 116.25 120.78 3cda h VAL 738 Ca 0.00 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3cda h VAL 738 Cb 0.63 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3cda h VAL 738 CO 0.00 0.49 0.02 1.23 0.02 0.00 0.00 177.57 179.33 3cda h GLY 739 N 0.31 0.28 1.24 2.17 0.00 -1.04 0.21 103.07 106.24 3cda h GLY 739 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3cda h GLY 739 CO 0.08 0.18 0.50 1.76 0.00 0.00 0.00 176.54 179.07 3cda h SER 740 N 0.03 0.86 -0.43 0.19 0.02 -1.42 -1.06 113.55 111.74 3cda h SER 740 Ca 0.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3cda h SER 740 Cb 0.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3cda h SER 740 CO 0.00 0.62 0.13 0.00 -1.14 0.00 0.00 176.83 176.45 3cda h ALA 741 N 1.53 0.56 -0.01 3.77 0.00 -0.68 -0.28 119.26 124.15 3cda h ALA 741 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3cda h ALA 741 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3cda h ALA 741 CO -0.06 0.20 -0.34 0.52 0.00 0.00 0.00 179.25 179.57 3cda h MET 742 N 0.55 0.02 -0.00 0.00 2.86 -0.51 -2.40 114.93 115.44 3cda h MET 742 Ca 0.14 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3cda h MET 742 Cb 0.26 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3cda h MET 742 CO -0.00 0.36 -0.16 0.00 1.06 0.00 0.00 176.91 178.17 3cda n ALA 743 N -2.47 2.78 -2.24 6.32 0.00 -0.44 -4.94 120.51 119.51 3cda n ALA 743 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 3cda n ALA 743 Cb 0.39 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3cda n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cda n GLY 744 N 1.41 0.55 3.76 0.00 0.00 -0.87 -5.03 105.19 105.02 3cda n GLY 744 Ca 0.09 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3cda n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cda s SER 745 N -3.06 7.05 -0.36 1.61 0.15 -0.17 -5.04 113.70 113.89 3cda s SER 745 Ca 0.01 1.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.85 3cda s SER 745 Cb -0.00 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3cda s SER 745 CO 0.04 0.08 0.14 -0.63 1.20 0.00 0.00 173.24 174.07 3cda s ILE 746 N -0.20 3.74 0.00 6.45 -1.09 -1.26 -4.68 121.20 124.17 3cda s ILE 746 Ca 0.33 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3cda s ILE 746 Cb -0.19 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 3cda s ILE 746 CO 0.19 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 3cda n GLY 747 N 4.79 0.69 2.52 6.18 0.00 -1.26 -4.94 105.19 113.18 3cda n GLY 747 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3cda n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 748 N -2.55 5.91 2.61 -0.02 0.00 -1.26 -1.90 105.19 107.98 3cda n GLY 748 Ca 0.00 -2.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.03 3cda n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cda n TYR 749 N -0.59 2.54 -3.99 1.61 4.02 -0.79 -4.84 117.16 115.13 3cda n TYR 749 Ca 0.47 -2.50 -0.09 0.00 -0.01 0.00 0.00 57.90 55.78 3cda n TYR 749 Cb 0.58 -1.44 -0.05 0.00 -0.02 0.00 0.00 39.34 38.41 3cda n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cda s ASN 750 N -0.45 -0.10 -0.11 7.72 2.20 -1.23 -1.08 114.94 121.88 3cda s ASN 750 Ca 0.50 -0.90 -0.03 0.00 -0.94 0.00 0.00 52.86 51.48 3cda s ASN 750 Cb 0.26 0.60 -0.01 0.00 -2.00 0.00 0.00 41.25 40.10 3cda s ASN 750 CO -0.18 -1.15 -0.06 0.00 -2.94 0.00 0.00 177.10 172.76 3cda h ALA 751 N 2.24 0.00 -0.17 3.54 0.00 -1.93 -3.46 119.26 119.47 3cda h ALA 751 Ca -0.25 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 3cda h ALA 751 Cb 1.25 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.99 3cda h ALA 751 CO 0.34 0.17 -0.53 -2.39 0.00 0.00 0.00 179.25 176.84 3cda n HIS 752 N -4.67 -1.23 -0.34 0.00 1.44 -1.26 -4.94 115.22 104.21 3cda n HIS 752 Ca -0.02 -1.93 0.21 0.00 -2.01 0.00 0.00 57.72 53.96 3cda n HIS 752 Cb 0.09 1.06 0.43 0.00 0.12 0.00 0.00 29.99 31.69 3cda n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cda h ALA 753 N 1.69 1.91 -0.54 1.59 0.00 -1.88 -1.39 119.26 120.63 3cda h ALA 753 Ca -0.32 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3cda h ALA 753 Cb 1.28 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3cda h ALA 753 CO -0.04 -0.43 0.36 0.00 0.00 0.00 0.00 179.25 179.15 3cda h ALA 754 N 1.76 1.62 -0.43 0.00 0.00 -1.92 -0.38 119.26 119.91 3cda h ALA 754 Ca 0.68 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.57 3cda h ALA 754 Cb 1.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3cda h ALA 754 CO -0.51 0.35 0.27 -0.91 0.00 0.00 0.00 179.25 178.45 3cda h ASN 755 N 0.73 0.45 -0.02 0.00 2.35 -1.66 -0.64 115.58 116.79 3cda h ASN 755 Ca 0.20 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3cda h ASN 755 Cb -0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3cda h ASN 755 CO -0.04 0.32 -0.21 0.40 -1.65 0.00 0.00 177.43 176.25 3cda h ILE 756 N 0.55 1.50 -0.53 2.81 5.03 -1.48 -2.72 117.51 122.67 3cda h ILE 756 Ca 0.17 -1.77 0.10 0.00 -0.12 0.00 0.00 64.86 63.23 3cda h ILE 756 Cb -0.02 2.58 -0.08 0.00 -3.03 0.00 0.00 36.82 36.27 3cda h ILE 756 CO -0.06 0.49 0.08 0.58 -0.68 0.00 0.00 178.15 178.56 3cda h VAL 757 N -0.43 0.67 -0.37 1.67 2.07 -1.08 -1.77 116.25 117.00 3cda h VAL 757 Ca -0.02 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3cda h VAL 757 Cb 0.90 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3cda h VAL 757 CO 0.04 0.04 0.06 0.74 0.02 0.00 0.00 177.57 178.47 3cda h THR 758 N 0.21 1.24 -0.43 2.57 2.02 -1.15 0.45 112.91 117.81 3cda h THR 758 Ca 0.27 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3cda h THR 758 Cb 0.39 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3cda h THR 758 CO -0.37 0.28 -0.13 0.00 0.37 0.00 0.00 175.52 175.67 3cda h ALA 759 N 0.91 0.60 -0.55 6.16 0.00 -1.28 -0.42 119.26 124.69 3cda h ALA 759 Ca 0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3cda h ALA 759 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3cda h ALA 759 CO 0.01 0.51 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 3cda h ILE 760 N 0.68 1.26 -0.72 0.00 2.04 -1.28 -0.07 117.51 119.42 3cda h ILE 760 Ca 0.11 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3cda h ILE 760 Cb 0.68 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3cda h ILE 760 CO 0.05 0.40 0.34 1.88 0.00 0.00 0.00 178.15 180.82 3cda h TYR 761 N 0.87 1.06 -0.24 1.37 -1.99 -0.52 -0.30 116.97 117.22 3cda h TYR 761 Ca 0.16 -0.06 -0.19 0.00 2.00 0.00 0.00 58.73 60.64 3cda h TYR 761 Cb 0.54 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3cda h TYR 761 CO 0.03 0.79 -0.61 0.82 -0.00 0.00 0.00 178.16 179.19 3cda h ILE 762 N 1.02 1.28 -0.57 -2.88 2.04 -1.04 -0.09 117.51 117.27 3cda h ILE 762 Ca 0.25 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.19 3cda h ILE 762 Cb 0.14 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3cda h ILE 762 CO -0.03 0.58 -0.05 0.00 0.00 0.00 0.00 178.15 178.65 3cda h ALA 763 N 0.70 0.84 -0.51 1.87 0.00 -1.21 -3.30 119.26 117.65 3cda h ALA 763 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3cda h ALA 763 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3cda h ALA 763 CO 0.13 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3cda n GLY 765 N 0.52 0.51 3.94 0.00 0.00 -1.06 -4.55 105.19 104.56 3cda n GLY 765 Ca 0.25 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 3cda n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cda s GLN 766 N -3.09 1.48 -0.58 1.61 -1.52 -0.07 -2.59 119.66 114.90 3cda s GLN 766 Ca 0.00 -0.47 -0.23 0.00 -1.95 0.00 0.00 55.36 52.71 3cda s GLN 766 Cb 0.00 -2.06 0.06 0.00 -0.22 0.00 0.00 33.01 30.78 3cda s GLN 766 CO 0.00 -1.76 0.89 0.34 -0.25 0.00 0.00 175.29 174.51 3cda s ASP 767 N -4.71 6.25 0.47 5.90 -1.08 -1.26 -4.75 116.67 117.49 3cda s ASP 767 Ca 0.67 -0.71 0.31 0.00 -0.52 0.00 0.00 52.55 52.30 3cda s ASP 767 Cb -0.07 -2.40 1.36 0.00 -1.46 0.00 0.00 42.92 40.35 3cda s ASP 767 CO 0.48 -1.24 1.93 0.00 0.52 0.00 0.00 175.17 176.86 3cda h ALA 768 N 9.35 1.00 0.00 3.66 0.00 -1.93 -1.50 119.26 129.83 3cda h ALA 768 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3cda h ALA 768 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3cda h ALA 768 CO 1.10 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 180.15 3cda h ALA 769 N 2.08 1.49 0.00 0.00 0.00 -2.00 -2.41 119.26 118.42 3cda h ALA 769 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cda h ALA 769 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3cda h ALA 769 CO 0.00 0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.54 3cda n GLN 770 N -4.04 0.81 0.18 0.00 6.02 -0.56 -2.88 117.38 116.91 3cda n GLN 770 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.13 3cda n GLN 770 Cb 0.28 -1.36 0.77 0.00 1.02 0.00 0.00 30.24 30.94 3cda n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3cda h ASN 771 N 0.00 0.00 0.17 1.08 -1.24 -1.58 -0.67 115.58 113.34 3cda h ASN 771 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.02 3cda h ASN 771 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3cda h ASN 771 CO 0.00 0.00 -0.48 0.58 -1.29 0.00 0.00 177.43 176.24 3cda h VAL 772 N 0.00 0.00 0.00 2.57 2.07 -1.78 -1.39 116.25 117.72 3cda h VAL 772 Ca 0.10 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.43 3cda h VAL 772 Cb 0.45 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3cda h VAL 772 CO -0.00 0.00 -1.01 1.23 0.02 0.00 0.00 177.57 177.81 3cda h GLY 773 N -0.73 0.00 2.00 2.17 0.00 -1.82 -3.36 103.07 101.33 3cda h GLY 773 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3cda h GLY 773 CO -0.23 0.00 -0.21 1.76 0.00 0.00 0.00 176.54 177.86 3cda h SER 774 N 0.00 0.00 0.58 0.19 0.02 -1.06 -2.91 113.55 110.37 3cda h SER 774 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3cda h SER 774 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 3cda h SER 774 CO 0.09 0.21 0.00 -1.20 -1.14 0.00 0.00 176.83 174.79 3cda n SER 775 N -3.27 0.00 -4.65 3.07 7.64 -0.53 -4.53 113.62 111.35 3cda n SER 775 Ca 0.01 -0.11 -0.50 0.00 1.01 0.00 0.00 58.87 59.29 3cda n SER 775 Cb 0.48 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 3cda n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cda n ASN 776 N -1.29 2.60 -3.64 6.43 3.02 -1.10 -4.57 115.26 116.72 3cda n ASN 776 Ca 0.14 1.08 -0.09 0.00 -0.03 0.00 0.00 54.58 55.67 3cda n ASN 776 Cb 0.24 -1.31 -0.07 0.00 -0.61 0.00 0.00 39.78 38.03 3cda n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cda s ILE 778 N 0.67 2.29 -0.30 0.00 2.07 -0.66 -1.88 121.20 123.39 3cda s ILE 778 Ca -0.02 -0.90 -0.08 0.00 -1.41 0.00 0.00 60.65 58.24 3cda s ILE 778 Cb -0.05 -1.93 -0.00 0.00 0.13 0.00 0.00 42.46 40.60 3cda s ILE 778 CO -0.08 0.54 0.12 -0.89 -1.91 0.00 0.00 174.94 172.72 3cda s THR 779 N 0.82 4.35 -0.00 4.00 2.01 -0.24 -1.34 115.64 125.23 3cda s THR 779 Ca -0.06 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.46 3cda s THR 779 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3cda s THR 779 CO -0.01 0.10 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.25 3cda s LEU 780 N 1.57 3.49 -0.02 4.42 1.43 0.13 -4.90 118.68 124.81 3cda s LEU 780 Ca 0.04 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3cda s LEU 780 Cb -0.17 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3cda s LEU 780 CO 0.05 0.28 0.01 -0.04 0.23 0.00 0.00 176.35 176.87 3cda s MET 781 N -1.55 0.10 0.08 1.70 -1.94 -1.26 -1.37 119.30 115.06 3cda s MET 781 Ca 0.19 0.09 -0.09 0.00 -1.71 0.00 0.00 55.69 54.17 3cda s MET 781 Cb -0.11 -0.27 -0.00 0.00 2.01 0.00 0.00 34.83 36.45 3cda s MET 781 CO 0.10 -0.10 0.19 -1.83 -0.01 0.00 0.00 175.02 173.37 3cda s GLU 782 N 0.73 0.83 0.53 2.03 -1.05 -0.22 -4.88 118.70 116.67 3cda s GLU 782 Ca -0.07 -0.92 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 3cda s GLU 782 Cb -0.09 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 33.87 3cda s GLU 782 CO -0.02 -0.26 1.15 0.00 0.95 0.00 0.00 175.26 177.09 3cda s ALA 783 N -3.73 2.74 0.20 -0.84 0.00 -1.26 -0.97 121.76 117.91 3cda s ALA 783 Ca 0.04 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.80 3cda s ALA 783 Cb 0.04 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3cda s ALA 783 CO -0.10 -0.81 0.33 0.45 0.00 0.00 0.00 175.76 175.62 3cda s SER 784 N -1.63 0.01 0.00 0.00 0.15 0.31 -4.74 113.70 107.80 3cda s SER 784 Ca 0.71 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3cda s SER 784 Cb -0.26 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3cda s SER 784 CO 0.30 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.38 3cda n GLY 785 N -0.28 -1.05 0.30 9.45 0.00 -1.26 -1.62 105.19 110.72 3cda n GLY 785 Ca -0.04 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.44 3cda n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cda h PRO 786 N 0.00 0.16 -0.16 1.61 0.11 -2.01 -2.59 132.00 129.12 3cda h PRO 786 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3cda h PRO 786 Cb 0.00 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.00 3cda h PRO 786 CO 0.00 0.10 -0.49 0.25 -0.21 0.00 0.00 178.00 177.66 3cda n THR 787 N -5.28 2.31 -3.85 -1.15 -2.24 -1.26 -4.96 114.28 97.85 3cda n THR 787 Ca 0.18 -3.33 -0.30 0.00 -2.27 0.00 0.00 64.05 58.33 3cda n THR 787 Cb 0.60 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 3cda n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cda n ASN 788 N -1.06 -3.36 -0.00 3.42 3.02 -0.98 -4.84 115.26 111.47 3cda n ASN 788 Ca 0.25 -0.72 0.05 0.00 -0.03 0.00 0.00 54.58 54.13 3cda n ASN 788 Cb 0.77 -2.77 -0.08 0.00 -0.61 0.00 0.00 39.78 37.10 3cda n ASN 788 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cda n GLU 789 N -4.06 1.85 -3.03 3.52 1.02 -0.92 -4.42 120.64 114.60 3cda n GLU 789 Ca 0.04 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 3cda n GLU 789 Cb 0.51 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3cda n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cda s ASP 790 N -2.68 6.30 -0.43 1.62 1.01 -0.64 -3.88 116.67 117.97 3cda s ASP 790 Ca -0.00 0.70 -0.08 0.00 0.71 0.00 0.00 52.55 53.88 3cda s ASP 790 Cb 0.08 -2.14 0.10 0.00 1.01 0.00 0.00 42.92 41.97 3cda s ASP 790 CO 0.46 -0.42 0.27 -0.22 0.21 0.00 0.00 175.17 175.48 3cda s LEU 791 N -4.45 5.35 -0.08 1.23 2.96 0.04 -0.53 118.68 123.20 3cda s LEU 791 Ca 0.44 -1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 52.28 3cda s LEU 791 Cb -0.10 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3cda s LEU 791 CO 0.39 -0.59 1.21 -0.47 -1.32 0.00 0.00 176.35 175.57 3cda s TYR 792 N 1.33 3.12 -0.01 5.38 5.04 -0.14 -0.69 117.35 131.37 3cda s TYR 792 Ca 0.05 1.18 0.05 0.00 -2.44 0.00 0.00 57.07 55.90 3cda s TYR 792 Cb -0.24 -3.43 -0.01 0.00 0.35 0.00 0.00 41.96 38.62 3cda s TYR 792 CO -0.00 -1.37 -0.15 -1.50 -1.34 0.00 0.00 175.55 171.18 3cda s ILE 793 N 2.52 1.23 0.01 3.14 2.07 -0.31 -1.05 121.20 128.81 3cda s ILE 793 Ca 0.55 -0.66 -0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3cda s ILE 793 Cb -0.24 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.32 3cda s ILE 793 CO 0.20 0.35 -0.00 -0.94 -1.91 0.00 0.00 174.94 172.64 3cda s SER 794 N -0.31 0.09 -0.06 4.50 1.04 -0.47 -1.21 113.70 117.28 3cda s SER 794 Ca 0.05 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3cda s SER 794 Cb -0.07 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 3cda s SER 794 CO -0.00 -0.13 -0.17 0.00 0.98 0.00 0.00 173.24 173.91 3cda s THR 796 N -0.40 1.71 -0.43 0.00 2.01 -0.45 -1.25 115.64 116.84 3cda s THR 796 Ca 0.04 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3cda s THR 796 Cb -0.12 -1.70 0.12 0.00 0.01 0.00 0.00 72.50 70.81 3cda s THR 796 CO 0.02 0.30 0.17 -0.04 -0.69 0.00 0.00 174.62 174.39 3cda s MET 797 N 1.39 1.62 0.15 4.92 -1.94 0.21 -1.65 119.30 124.01 3cda s MET 797 Ca 0.01 -2.18 0.23 0.00 -1.71 0.00 0.00 55.69 52.04 3cda s MET 797 Cb -0.15 -3.05 0.89 0.00 2.01 0.00 0.00 34.83 34.53 3cda s MET 797 CO -0.09 -1.05 1.69 -0.35 -0.01 0.00 0.00 175.02 175.20 3cda n PRO 798 N 3.68 0.14 -3.17 2.03 -0.04 -1.26 -1.19 135.00 135.19 3cda n PRO 798 Ca 0.05 0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 3cda n PRO 798 Cb 0.36 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 3cda n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3cda n SER 799 N -1.97 0.46 -4.54 3.54 3.41 -1.23 -2.64 113.62 110.64 3cda n SER 799 Ca 0.04 -2.93 -0.43 0.00 -0.26 0.00 0.00 58.87 55.29 3cda n SER 799 Cb 0.27 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 3cda n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cda s ILE 800 N -1.88 4.41 -0.35 -1.33 1.01 0.28 -3.19 121.20 120.15 3cda s ILE 800 Ca 0.38 0.46 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 3cda s ILE 800 Cb 0.29 -4.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3cda s ILE 800 CO -0.09 -1.02 0.41 -1.61 0.00 0.00 0.00 174.94 172.63 3cda s GLU 801 N 3.90 3.54 -0.21 2.79 2.02 -1.26 -0.29 118.70 129.19 3cda s GLU 801 Ca 0.33 -0.38 -0.27 0.00 0.02 0.00 0.00 54.97 54.68 3cda s GLU 801 Cb -0.12 -3.82 0.08 0.00 0.10 0.00 0.00 34.13 30.38 3cda s GLU 801 CO 0.22 -0.58 0.76 -1.50 0.02 0.00 0.00 175.26 174.18 3cda s ILE 802 N 2.13 0.00 0.11 -1.63 2.07 -1.26 -4.89 121.20 117.73 3cda s ILE 802 Ca 0.14 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.28 3cda s ILE 802 Cb -0.16 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3cda s ILE 802 CO 0.12 0.00 0.24 -0.83 -1.91 0.00 0.00 174.94 172.56 3cda s GLY 803 N -0.15 0.14 0.00 1.50 0.00 -1.26 -3.81 107.32 103.74 3cda s GLY 803 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.15 3cda s GLY 803 CO 0.03 -0.75 0.62 -1.30 0.00 0.00 0.00 173.10 171.70 3cda n THR 804 N -0.12 0.00 -4.60 0.90 -2.24 0.89 -4.79 114.28 104.31 3cda n THR 804 Ca -0.13 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 3cda n THR 804 Cb 0.63 1.11 -0.14 0.00 -2.10 0.00 0.00 70.33 69.82 3cda n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cda s VAL 805 N -0.75 1.32 0.00 2.28 1.01 -1.20 -2.02 120.40 121.04 3cda s VAL 805 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3cda s VAL 805 Cb 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3cda s VAL 805 CO 0.11 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3cda n GLY 806 N 2.23 0.66 7.00 4.51 0.00 -1.26 -4.18 105.19 114.15 3cda n GLY 806 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3cda n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 807 N 0.71 2.78 0.33 -0.02 0.00 -1.26 -2.08 105.19 105.65 3cda n GLY 807 Ca 0.00 -0.34 0.21 0.00 0.00 0.00 0.00 46.02 45.89 3cda n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cda h GLY 808 N 0.00 0.00 1.57 -0.02 0.00 -1.81 -2.44 103.07 100.38 3cda h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cda h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3cda n THR 809 N -3.17 0.27 0.21 4.70 -2.24 -0.88 -2.35 114.28 110.81 3cda n THR 809 Ca -0.03 0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3cda n THR 809 Cb 0.10 -0.68 0.34 0.00 -2.10 0.00 0.00 70.33 67.99 3cda n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3cda h ASN 810 N 0.00 0.00 -3.78 3.42 2.35 -1.56 -3.42 115.58 112.59 3cda h ASN 810 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 3cda h ASN 810 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3cda h ASN 810 CO 0.00 0.19 0.19 -0.76 -1.65 0.00 0.00 177.43 175.41 3cda s LEU 811 N -6.48 4.16 0.07 1.61 1.43 -0.99 -4.96 118.68 113.51 3cda s LEU 811 Ca 0.03 1.50 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 3cda s LEU 811 Cb 0.08 -4.03 -0.25 0.00 0.03 0.00 0.00 46.19 42.02 3cda s LEU 811 CO 0.65 -0.15 1.16 -0.07 0.23 0.00 0.00 176.35 178.17 3cda h LEU 812 N 2.65 0.89 -0.98 1.79 3.38 -1.89 -1.15 115.31 120.00 3cda h LEU 812 Ca -0.48 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 56.77 3cda h LEU 812 Cb 1.18 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3cda h LEU 812 CO 0.64 1.54 0.64 -0.65 0.09 0.00 0.00 178.44 180.71 3cda h PRO 813 N 0.34 1.20 -0.05 1.13 0.11 -1.95 -0.28 132.00 132.51 3cda h PRO 813 Ca -0.14 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 3cda h PRO 813 Cb 1.74 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 3cda h PRO 813 CO 0.21 0.80 -0.39 1.96 -0.21 0.00 0.00 178.00 180.37 3cda h GLN 814 N 1.24 0.10 -0.01 1.05 7.50 -1.73 -2.48 115.11 120.79 3cda h GLN 814 Ca 0.39 -0.04 -0.16 0.00 0.50 0.00 0.00 58.65 59.34 3cda h GLN 814 Cb 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 3cda h GLN 814 CO -0.12 0.48 -0.75 1.96 -1.50 0.00 0.00 178.83 178.90 3cda h GLN 815 N 0.09 0.05 -0.33 1.46 4.20 -0.62 -2.49 115.11 117.47 3cda h GLN 815 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3cda h GLN 815 Cb 0.73 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3cda h GLN 815 CO 0.05 0.77 0.22 0.00 -0.67 0.00 0.00 178.83 179.20 3cda h ALA 816 N 1.21 0.42 -0.51 3.87 0.00 -0.61 0.16 119.26 123.81 3cda h ALA 816 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3cda h ALA 816 Cb 1.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3cda h ALA 816 CO 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.15 3cda h LEU 818 N 0.83 0.41 -0.55 0.00 3.38 -1.23 -2.98 115.31 115.18 3cda h LEU 818 Ca 0.14 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3cda h LEU 818 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3cda h LEU 818 CO 0.04 0.54 -0.61 1.56 0.09 0.00 0.00 178.44 180.06 3cda h GLN 819 N 0.40 0.41 -0.91 1.13 4.20 0.09 -1.92 115.11 118.51 3cda h GLN 819 Ca 0.08 -0.28 0.15 0.00 0.06 0.00 0.00 58.65 58.66 3cda h GLN 819 Cb 0.41 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 3cda h GLN 819 CO 0.02 0.89 0.51 0.52 -0.67 0.00 0.00 178.83 180.10 3cda h MET 820 N 0.30 0.70 -0.00 1.46 2.86 -1.01 -2.05 114.93 117.19 3cda h MET 820 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3cda h MET 820 Cb 1.14 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3cda h MET 820 CO 0.10 0.47 -0.17 1.28 1.06 0.00 0.00 176.91 179.65 3cda n LEU 821 N -4.80 0.33 -0.30 1.22 4.77 -1.06 -4.72 117.00 112.44 3cda n LEU 821 Ca 0.19 0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 3cda n LEU 821 Cb 0.44 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3cda n LEU 821 CO 0.22 0.07 -0.04 0.61 -1.33 0.00 0.00 177.39 176.93 3cda n GLY 822 N 1.40 0.54 0.06 -0.72 0.00 -0.77 -4.92 105.19 100.77 3cda n GLY 822 Ca 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.27 3cda n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cda n VAL 823 N -3.19 0.85 -2.02 1.61 0.24 -0.76 -5.01 118.33 110.04 3cda n VAL 823 Ca -0.04 -0.93 -0.42 0.00 -2.04 0.00 0.00 64.34 60.92 3cda n VAL 823 Cb 0.23 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 3cda n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3cda s GLN 824 N -1.05 4.26 1.43 7.34 -0.44 -1.10 -4.75 119.66 125.34 3cda s GLN 824 Ca 0.06 2.29 0.00 0.00 -2.50 0.00 0.00 55.36 55.21 3cda s GLN 824 Cb 0.06 -3.14 0.00 0.00 -1.64 0.00 0.00 33.01 28.29 3cda s GLN 824 CO 0.01 -0.46 0.00 0.41 0.50 0.00 0.00 175.29 175.75 3cda n GLY 825 N 2.69 -1.61 3.79 2.59 0.00 -0.85 -4.86 105.19 106.93 3cda n GLY 825 Ca 0.09 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 3cda n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda s ALA 826 N -1.37 2.82 -0.34 4.61 0.00 -1.26 -4.60 121.76 121.63 3cda s ALA 826 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 3cda s ALA 826 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3cda s ALA 826 CO 0.00 -0.45 0.23 0.00 0.00 0.00 0.00 175.76 175.54 3cda h LYS 828 N 8.47 0.10 0.00 0.00 2.10 -2.00 -2.99 116.57 122.24 3cda h LYS 828 Ca -0.31 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 3cda h LYS 828 Cb 1.16 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3cda h LYS 828 CO 0.63 0.23 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.76 3cda h ASP 829 N -0.06 0.00 -1.16 7.07 3.32 -2.06 -3.38 116.42 120.15 3cda h ASP 829 Ca 0.02 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.69 3cda h ASP 829 Cb 0.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.46 3cda h ASP 829 CO -0.00 0.11 -0.77 -3.20 -1.72 0.00 0.00 179.24 173.66 3cda n ASN 830 N -3.16 -1.60 -4.65 6.45 5.15 -1.23 -5.12 115.26 111.09 3cda n ASN 830 Ca 0.02 -2.91 -0.54 0.00 -0.60 0.00 0.00 54.58 50.55 3cda n ASN 830 Cb 0.48 0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 40.32 3cda n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3cda n PRO 831 N 1.92 1.21 -0.11 1.20 -0.02 -1.13 -1.19 135.00 136.88 3cda n PRO 831 Ca 0.17 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3cda n PRO 831 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3cda n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cda n GLY 832 N 3.39 0.55 0.07 -1.23 0.00 -1.24 -4.85 105.19 101.87 3cda n GLY 832 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3cda n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cda h GLU 833 N 4.44 0.06 -0.35 1.61 4.57 -1.45 -1.62 114.58 121.83 3cda h GLU 833 Ca 0.00 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 57.95 3cda h GLU 833 Cb 0.00 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3cda h GLU 833 CO 0.00 1.03 -0.27 -0.91 -1.18 0.00 0.00 179.01 177.68 3cda h ASN 834 N 0.02 0.84 0.01 1.04 2.35 -1.88 -1.69 115.58 116.27 3cda h ASN 834 Ca -0.04 -0.45 -0.11 0.00 -0.55 0.00 0.00 56.30 55.16 3cda h ASN 834 Cb 1.78 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.90 3cda h ASN 834 CO 0.14 1.11 -0.33 0.00 -1.65 0.00 0.00 177.43 176.70 3cda h ALA 835 N 0.76 1.02 -0.46 -0.83 0.00 -1.81 -1.32 119.26 116.62 3cda h ALA 835 Ca 0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3cda h ALA 835 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3cda h ALA 835 CO 0.07 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 3cda h ARG 836 N 0.39 0.89 -0.46 0.00 3.08 -1.29 -2.42 114.38 114.58 3cda h ARG 836 Ca 0.05 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 3cda h ARG 836 Cb 0.78 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3cda h ARG 836 CO 0.06 1.00 -0.04 0.37 -1.07 0.00 0.00 179.97 180.29 3cda h GLN 837 N 0.73 0.83 -0.70 0.04 5.75 -1.04 -1.28 115.11 119.44 3cda h GLN 837 Ca 0.11 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 3cda h GLN 837 Cb 0.68 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 3cda h GLN 837 CO 0.05 0.91 0.25 1.25 -2.65 0.00 0.00 178.83 178.64 3cda h LEU 838 N 0.68 1.00 -0.96 -2.39 5.85 -1.25 -0.16 115.31 118.07 3cda h LEU 838 Ca 0.12 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3cda h LEU 838 Cb 0.56 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3cda h LEU 838 CO 0.03 0.92 0.59 0.00 -0.34 0.00 0.00 178.44 179.64 3cda h ALA 839 N 1.12 1.23 -0.51 1.25 0.00 -1.23 0.15 119.26 121.27 3cda h ALA 839 Ca 0.23 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3cda h ALA 839 Cb 0.25 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3cda h ALA 839 CO -0.01 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 3cda h ARG 840 N 1.32 0.93 -0.42 0.00 3.08 -0.79 -1.63 114.38 116.87 3cda h ARG 840 Ca 0.35 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3cda h ARG 840 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3cda h ARG 840 CO -0.07 0.97 0.17 0.82 -1.07 0.00 0.00 179.97 180.79 3cda h ILE 841 N 0.84 1.20 0.13 2.04 2.04 -0.39 -0.13 117.51 123.23 3cda h ILE 841 Ca 0.14 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3cda h ILE 841 Cb 0.61 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3cda h ILE 841 CO 0.04 0.23 -0.18 0.58 0.00 0.00 0.00 178.15 178.82 3cda h VAL 842 N 0.54 0.60 -0.77 1.67 2.07 -0.50 0.23 116.25 120.08 3cda h VAL 842 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3cda h VAL 842 Cb 0.19 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3cda h VAL 842 CO -0.01 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.98 3cda h GLY 844 N 1.12 0.98 1.54 0.00 0.00 -0.70 -1.90 103.07 104.11 3cda h GLY 844 Ca 0.27 -0.80 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 3cda h GLY 844 CO -0.04 0.73 -0.54 -0.84 0.00 0.00 0.00 176.54 175.85 3cda h THR 845 N 0.75 1.33 -0.56 4.70 2.02 -0.18 -2.19 112.91 118.77 3cda h THR 845 Ca 0.12 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 3cda h THR 845 Cb 0.66 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 3cda h THR 845 CO 0.05 0.55 0.35 0.58 0.37 0.00 0.00 175.52 177.41 3cda h VAL 846 N 0.37 1.16 -0.72 3.16 2.07 -0.72 -0.72 116.25 120.87 3cda h VAL 846 Ca 0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3cda h VAL 846 Cb 1.07 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3cda h VAL 846 CO 0.10 0.17 0.43 -0.03 0.02 0.00 0.00 177.57 178.25 3cda h MET 847 N 0.76 0.99 -0.49 1.57 -1.53 -1.03 0.21 114.93 115.40 3cda h MET 847 Ca 0.20 -0.10 0.04 0.00 -3.44 0.00 0.00 59.70 56.41 3cda h MET 847 Cb -0.03 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 30.78 3cda h MET 847 CO -0.04 0.71 0.25 0.00 0.14 0.00 0.00 176.91 177.97 3cda h ALA 848 N 1.22 0.63 -0.78 0.39 0.00 -1.09 -0.46 119.26 119.17 3cda h ALA 848 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3cda h ALA 848 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3cda h ALA 848 CO -0.05 -0.10 0.49 0.78 0.00 0.00 0.00 179.25 180.37 3cda h GLY 849 N 0.49 1.12 1.07 0.00 0.00 -0.32 -2.43 103.07 103.00 3cda h GLY 849 Ca 0.22 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 3cda h GLY 849 CO -0.15 0.44 0.22 0.83 0.00 0.00 0.00 176.54 177.88 3cda h GLU 850 N 1.07 1.16 0.21 4.80 4.39 -0.16 -1.95 114.58 124.10 3cda h GLU 850 Ca 0.28 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3cda h GLU 850 Cb -0.07 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3cda h GLU 850 CO -0.06 0.99 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.61 3cda h LEU 851 N 1.11 -0.24 -0.12 1.33 3.38 -0.78 -1.15 115.31 118.84 3cda h LEU 851 Ca 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3cda h LEU 851 Cb 0.33 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3cda h LEU 851 CO -0.01 -0.06 -0.01 -1.28 0.09 0.00 0.00 178.44 177.18 3cda h SER 852 N -0.41 0.21 -0.58 -0.43 0.87 -1.41 -1.45 113.55 110.35 3cda h SER 852 Ca -0.03 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.11 3cda h SER 852 Cb 0.31 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3cda h SER 852 CO 0.05 0.48 -0.03 0.25 -0.53 0.00 0.00 176.83 177.05 3cda h LEU 853 N -0.07 1.03 -1.41 2.23 5.85 -1.39 -0.42 115.31 121.13 3cda h LEU 853 Ca 0.03 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 3cda h LEU 853 Cb 0.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3cda h LEU 853 CO 0.01 1.10 -0.28 0.24 -0.34 0.00 0.00 178.44 179.16 3cda h MET 854 N 0.94 0.00 -0.05 1.25 2.86 -1.14 -1.20 114.93 117.58 3cda h MET 854 Ca 0.16 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.55 3cda h MET 854 Cb 0.59 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.27 3cda h MET 854 CO 0.04 0.28 -0.96 0.00 1.06 0.00 0.00 176.91 177.33 3cda h ALA 855 N 1.72 0.19 -0.72 6.32 0.00 -0.97 -2.31 119.26 123.48 3cda h ALA 855 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 3cda h ALA 855 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3cda h ALA 855 CO 0.04 0.69 0.22 0.00 0.00 0.00 0.00 179.25 180.19 3cda h ALA 856 N 0.46 1.01 -0.18 0.00 0.00 -0.48 -2.09 119.26 117.97 3cda h ALA 856 Ca -0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 3cda h ALA 856 Cb 1.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3cda h ALA 856 CO 0.19 0.66 -0.50 -0.07 0.00 0.00 0.00 179.25 179.53 3cda h LEU 857 N 1.08 0.54 -0.93 0.00 3.38 -1.30 -2.58 115.31 115.50 3cda h LEU 857 Ca 0.23 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3cda h LEU 857 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3cda h LEU 857 CO -0.01 0.95 -0.48 0.00 0.09 0.00 0.00 178.44 178.99 3cda h ALA 858 N 1.07 1.10 0.00 1.53 0.00 -1.13 -3.20 119.26 118.63 3cda h ALA 858 Ca 0.02 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 3cda h ALA 858 Cb 1.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3cda h ALA 858 CO 0.09 0.63 -1.32 0.00 0.00 0.00 0.00 179.25 178.65 3cda h ALA 859 N 1.41 0.64 0.00 0.00 0.00 -1.37 -3.49 119.26 116.44 3cda h ALA 859 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3cda h ALA 859 Cb 0.89 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3cda h ALA 859 CO 0.07 1.20 0.00 0.41 0.00 0.00 0.00 179.25 180.93