#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd7 n ASN 445 N 0.00 0.00 -0.10 3.54 2.85 -1.26 -4.98 115.26 115.31 3cd7 n ASN 445 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 3cd7 n ASN 445 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3cd7 n ASN 445 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3cd7 h GLU 446 N 0.00 0.49 -0.65 1.20 5.08 -2.03 -2.88 114.58 115.80 3cd7 h GLU 446 Ca 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3cd7 h GLU 446 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3cd7 h GLU 446 CO 0.00 0.63 0.37 0.93 -1.00 0.00 0.00 179.01 179.93 3cd7 h GLU 447 N 0.29 0.89 -0.35 2.33 5.08 -2.00 -2.59 114.58 118.23 3cd7 h GLU 447 Ca 0.08 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3cd7 h GLU 447 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3cd7 h GLU 447 CO 0.01 0.65 -0.17 0.00 -1.00 0.00 0.00 179.01 178.50 3cd7 h LEU 449 N 0.58 0.21 -1.01 0.00 3.38 -1.27 -0.94 115.31 116.26 3cd7 h LEU 449 Ca 0.09 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3cd7 h LEU 449 Cb 0.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3cd7 h LEU 449 CO 0.04 0.72 -0.09 1.56 0.09 0.00 0.00 178.44 180.76 3cd7 h GLN 450 N 0.15 0.61 0.00 1.13 1.08 -1.20 -1.87 115.11 115.00 3cd7 h GLN 450 Ca -0.00 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 56.85 3cd7 h GLN 450 Cb 1.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 3cd7 h GLN 450 CO 0.08 0.69 -0.83 0.82 -0.95 0.00 0.00 178.83 178.65 3cd7 h ILE 451 N 0.56 1.50 -0.13 2.54 2.04 -1.19 -2.09 117.51 120.75 3cd7 h ILE 451 Ca 0.10 -2.93 -0.07 0.00 1.00 0.00 0.00 64.86 62.97 3cd7 h ILE 451 Cb 0.50 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3cd7 h ILE 451 CO 0.03 0.81 -0.18 0.25 0.00 0.00 0.00 178.15 179.06 3cd7 h LEU 452 N 0.00 0.38 -0.04 1.44 6.46 -0.98 -3.19 115.31 119.37 3cd7 h LEU 452 Ca -0.01 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3cd7 h LEU 452 Cb 1.55 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 3cd7 h LEU 452 CO 0.11 0.82 0.00 0.61 -0.62 0.00 0.00 178.44 179.36 3cd7 n GLY 453 N 0.31 -1.60 3.70 3.75 0.00 -0.72 -4.66 105.19 105.97 3cd7 n GLY 453 Ca -0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3cd7 n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cd7 s ASN 454 N -4.02 6.89 0.67 1.61 3.84 -0.78 -4.91 114.94 118.24 3cd7 s ASN 454 Ca 0.11 2.13 0.40 0.00 0.21 0.00 0.00 52.86 55.71 3cd7 s ASN 454 Cb 0.14 -2.57 2.19 0.00 -0.55 0.00 0.00 41.25 40.46 3cd7 s ASN 454 CO 0.55 -0.66 2.24 0.00 -2.79 0.00 0.00 177.10 176.44 3cd7 h ALA 455 N 7.45 1.12 -2.85 1.71 0.00 -1.87 -3.37 119.26 121.45 3cd7 h ALA 455 Ca -0.39 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.85 3cd7 h ALA 455 Cb 1.19 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 3cd7 h ALA 455 CO 0.88 -0.10 -0.54 -2.00 0.00 0.00 0.00 179.25 177.49 3cd7 s GLU 456 N -4.15 3.45 0.00 0.00 2.12 -1.26 -5.09 118.70 113.77 3cd7 s GLU 456 Ca -0.05 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.63 3cd7 s GLU 456 Cb 0.12 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3cd7 s GLU 456 CO 0.38 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 3cd7 n GLY 458 N 5.01 2.98 0.23 -1.50 0.00 -1.26 -4.95 105.19 105.70 3cd7 n GLY 458 Ca -0.14 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.77 3cd7 n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 h ALA 459 N 1.33 1.06 0.00 4.61 0.00 -1.82 -2.99 119.26 121.47 3cd7 h ALA 459 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cd7 h ALA 459 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3cd7 h ALA 459 CO 0.00 0.24 0.00 0.36 0.00 0.00 0.00 179.25 179.85 3cd7 n LYS 460 N -3.42 0.16 0.00 0.00 2.85 -1.26 -2.07 118.16 114.43 3cd7 n LYS 460 Ca -0.00 0.33 0.14 0.00 -1.05 0.00 0.00 58.31 57.73 3cd7 n LYS 460 Cb 0.38 -1.77 0.50 0.00 -0.65 0.00 0.00 35.03 33.50 3cd7 n LYS 460 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3cd7 n PHE 461 N -2.07 0.00 -4.04 5.58 3.01 -1.13 -4.88 117.46 113.94 3cd7 n PHE 461 Ca 0.03 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.26 3cd7 n PHE 461 Cb 0.26 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 3cd7 n PHE 461 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cd7 s LEU 462 N -2.36 4.05 0.56 4.37 1.43 -0.88 -5.07 118.68 120.79 3cd7 s LEU 462 Ca 0.30 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3cd7 s LEU 462 Cb 0.20 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.83 3cd7 s LEU 462 CO 0.46 -0.02 0.83 -0.94 0.23 0.00 0.00 176.35 176.91 3cd7 s SER 463 N -3.68 5.51 0.21 2.29 1.04 -1.26 -4.94 113.70 112.86 3cd7 s SER 463 Ca 0.33 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 3cd7 s SER 463 Cb -0.09 -1.44 0.25 0.00 0.10 0.00 0.00 66.02 64.84 3cd7 s SER 463 CO 0.27 -1.04 1.79 0.44 0.98 0.00 0.00 173.24 175.67 3cd7 h ASP 464 N -0.02 0.44 -0.32 7.02 5.19 -2.00 -1.57 116.42 125.16 3cd7 h ASP 464 Ca -0.45 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 3cd7 h ASP 464 Cb 1.27 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 3cd7 h ASP 464 CO 0.58 0.28 0.11 0.00 -3.12 0.00 0.00 179.24 177.09 3cd7 h ALA 465 N 1.37 0.42 -0.95 3.45 0.00 -1.99 -2.08 119.26 119.47 3cd7 h ALA 465 Ca 0.30 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3cd7 h ALA 465 Cb 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3cd7 h ALA 465 CO -0.22 0.05 0.63 0.93 0.00 0.00 0.00 179.25 180.63 3cd7 h GLU 466 N 0.36 1.22 -0.57 0.00 5.08 -1.86 0.27 114.58 119.08 3cd7 h GLU 466 Ca 0.10 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3cd7 h GLU 466 Cb 0.23 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3cd7 h GLU 466 CO -0.00 0.80 0.04 0.82 -1.00 0.00 0.00 179.01 179.67 3cd7 h ILE 467 N 1.25 1.26 -0.35 3.13 2.04 -1.18 -2.39 117.51 121.28 3cd7 h ILE 467 Ca 0.36 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 3cd7 h ILE 467 Cb -0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3cd7 h ILE 467 CO -0.10 0.38 -0.23 0.40 0.00 0.00 0.00 178.15 178.61 3cd7 h ILE 468 N 0.86 1.29 -0.79 -0.67 2.04 -0.91 -2.08 117.51 117.25 3cd7 h ILE 468 Ca 0.17 -1.38 0.17 0.00 1.00 0.00 0.00 64.86 64.82 3cd7 h ILE 468 Cb 0.49 1.42 -0.11 0.00 -0.74 0.00 0.00 36.82 37.87 3cd7 h ILE 468 CO 0.02 0.45 0.26 -0.61 0.00 0.00 0.00 178.15 178.27 3cd7 h GLN 469 N 0.55 0.33 0.00 2.37 4.15 -0.92 0.19 115.11 121.78 3cd7 h GLN 469 Ca 0.07 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3cd7 h GLN 469 Cb 0.79 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3cd7 h GLN 469 CO 0.06 0.22 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.71 3cd7 h LEU 470 N 0.34 0.00 0.01 -2.39 4.07 -0.96 -2.46 115.31 113.91 3cd7 h LEU 470 Ca 0.46 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.25 3cd7 h LEU 470 Cb 0.80 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.55 3cd7 h LEU 470 CO -0.50 0.40 -0.67 0.58 -1.08 0.00 0.00 178.44 177.16 3cd7 h VAL 471 N 0.00 1.41 0.31 1.22 2.07 -0.61 -2.18 116.25 118.46 3cd7 h VAL 471 Ca -0.00 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 3cd7 h VAL 471 Cb 0.71 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3cd7 h VAL 471 CO 0.05 0.62 -0.15 0.78 0.02 0.00 0.00 177.57 178.89 3cd7 h ASN 472 N -0.04 -0.36 -3.93 0.57 -0.26 -0.85 -3.35 115.58 107.35 3cd7 h ASN 472 Ca -0.09 -0.13 -0.51 0.00 -0.56 0.00 0.00 56.30 55.01 3cd7 h ASN 472 Cb 1.38 0.09 0.06 0.00 -1.06 0.00 0.00 38.32 38.79 3cd7 h ASN 472 CO 0.13 -0.07 0.54 0.00 -1.06 0.00 0.00 177.43 176.98 3cd7 s ALA 473 N -5.22 3.21 -0.30 -0.83 0.00 -0.94 -4.92 121.76 112.76 3cd7 s ALA 473 Ca -0.15 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 3cd7 s ALA 473 Cb 0.03 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3cd7 s ALA 473 CO 0.58 -0.60 2.35 1.63 0.00 0.00 0.00 175.76 179.72 3cd7 n LYS 474 N 0.18 1.91 0.10 0.00 4.76 -1.26 -4.40 118.16 119.45 3cd7 n LYS 474 Ca 0.04 -1.59 -0.19 0.00 -2.87 0.00 0.00 58.31 53.69 3cd7 n LYS 474 Cb 0.45 -1.73 -0.12 0.00 -1.84 0.00 0.00 35.03 31.79 3cd7 n LYS 474 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3cd7 h HIS 475 N 1.97 0.79 -3.20 2.13 3.86 -1.65 -3.43 115.15 115.61 3cd7 h HIS 475 Ca 0.28 -0.52 -0.63 0.00 -1.16 0.00 0.00 60.37 58.34 3cd7 h HIS 475 Cb 0.92 -0.05 -0.35 0.00 1.06 0.00 0.00 27.41 28.99 3cd7 h HIS 475 CO 1.01 1.38 -0.85 -1.50 0.86 0.00 0.00 177.93 178.83 3cd7 s ILE 476 N -2.85 1.77 0.19 2.45 -1.16 -1.04 -5.04 121.20 115.53 3cd7 s ILE 476 Ca -0.07 -0.79 -0.30 0.00 -0.51 0.00 0.00 60.65 58.98 3cd7 s ILE 476 Cb 0.06 -1.59 -0.08 0.00 0.61 0.00 0.00 42.46 41.46 3cd7 s ILE 476 CO 0.91 0.49 1.05 -2.16 -2.81 0.00 0.00 174.94 172.43 3cd7 s PRO 477 N 1.02 4.66 0.30 3.50 0.04 -1.26 -4.41 135.00 138.85 3cd7 s PRO 477 Ca -0.04 1.66 0.17 0.00 0.04 0.00 0.00 61.00 62.83 3cd7 s PRO 477 Cb -0.15 -3.28 1.09 0.00 0.04 0.00 0.00 34.50 32.21 3cd7 s PRO 477 CO -0.04 0.19 1.28 0.00 0.04 0.00 0.00 177.00 178.47 3cd7 n ALA 478 N 2.10 0.83 -0.03 8.56 0.00 -1.26 -1.35 120.51 129.37 3cd7 n ALA 478 Ca 0.01 0.83 -0.17 0.00 0.00 0.00 0.00 53.44 54.11 3cd7 n ALA 478 Cb 0.46 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 3cd7 n ALA 478 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3cd7 h TYR 479 N 0.00 1.08 0.00 0.00 -0.00 -2.05 -3.25 116.97 112.76 3cd7 h TYR 479 Ca 0.69 -0.46 0.00 0.00 0.00 0.00 0.00 58.73 58.95 3cd7 h TYR 479 Cb 1.82 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 38.38 3cd7 h TYR 479 CO -0.01 1.30 0.00 0.87 -0.00 0.00 0.00 178.16 180.32 3cd7 h LYS 480 N 0.55 0.00 -0.37 0.10 1.57 -1.61 -3.07 116.57 113.75 3cd7 h LYS 480 Ca -0.04 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3cd7 h LYS 480 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 3cd7 h LYS 480 CO 0.16 0.00 0.38 -0.07 -0.57 0.00 0.00 179.45 179.35 3cd7 h LEU 481 N 0.00 0.00 0.08 2.94 3.38 -1.66 -2.73 115.31 117.32 3cd7 h LEU 481 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cd7 h LEU 481 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3cd7 h LEU 481 CO 0.00 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.41 3cd7 h GLU 482 N 0.00 -0.10 0.00 1.13 4.57 -1.81 -3.01 114.58 115.35 3cd7 h GLU 482 Ca 0.17 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.17 3cd7 h GLU 482 Cb 0.93 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 3cd7 h GLU 482 CO -0.00 0.06 -0.91 1.79 -1.18 0.00 0.00 179.01 178.76 3cd7 h THR 483 N -0.25 1.61 0.19 0.32 1.35 -1.77 -3.37 112.91 111.00 3cd7 h THR 483 Ca -0.01 -3.18 -0.01 0.00 -0.55 0.00 0.00 66.41 62.66 3cd7 h THR 483 Cb 0.21 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3cd7 h THR 483 CO 0.02 0.90 -0.09 -0.07 -0.25 0.00 0.00 175.52 176.02 3cd7 h LEU 484 N 0.00 -0.22 -9.77 3.87 4.07 -1.56 -3.43 115.31 108.28 3cd7 h LEU 484 Ca -0.01 -0.31 -0.52 0.00 0.08 0.00 0.00 57.88 57.12 3cd7 h LEU 484 Cb 1.66 0.06 0.05 0.00 1.08 0.00 0.00 40.66 43.51 3cd7 h LEU 484 CO 0.12 0.31 0.68 -0.63 -1.08 0.00 0.00 178.44 177.84 3cd7 s ILE 485 N -3.52 2.86 -0.04 1.22 1.01 -1.14 -4.61 121.20 116.98 3cd7 s ILE 485 Ca -0.12 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 3cd7 s ILE 485 Cb 0.01 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 3cd7 s ILE 485 CO 0.46 0.14 0.08 -0.08 0.00 0.00 0.00 174.94 175.54 3cd7 h GLU 486 N 4.63 -0.04 -6.90 2.79 4.57 -1.88 -3.46 114.58 114.29 3cd7 h GLU 486 Ca -0.46 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.22 3cd7 h GLU 486 Cb 1.22 0.01 0.03 0.00 -0.16 0.00 0.00 28.75 29.85 3cd7 h GLU 486 CO 0.74 -0.03 0.47 -0.08 -1.18 0.00 0.00 179.01 178.93 3cd7 s THR 487 N -1.44 3.44 0.12 0.32 -1.32 -1.26 -4.96 115.64 110.53 3cd7 s THR 487 Ca -0.01 1.25 -0.14 0.00 -1.21 0.00 0.00 61.69 61.59 3cd7 s THR 487 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 72.50 67.24 3cd7 s THR 487 CO 0.02 0.15 1.52 0.45 -2.21 0.00 0.00 174.62 174.55 3cd7 h HIS 488 N 2.99 0.86 -0.50 9.09 3.86 -1.97 -2.88 115.15 126.59 3cd7 h HIS 488 Ca -0.48 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 58.51 3cd7 h HIS 488 Cb 1.22 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 3cd7 h HIS 488 CO 0.57 0.90 0.17 1.49 0.86 0.00 0.00 177.93 181.92 3cd7 h GLU 489 N 0.56 0.74 -0.12 2.45 4.81 -1.93 -2.27 114.58 118.82 3cd7 h GLU 489 Ca 0.10 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3cd7 h GLU 489 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3cd7 h GLU 489 CO 0.04 0.63 -0.43 -0.09 -0.73 0.00 0.00 179.01 178.43 3cd7 h ARG 490 N 0.73 0.28 -0.89 1.92 2.43 -1.95 0.07 114.38 116.97 3cd7 h ARG 490 Ca 0.17 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3cd7 h ARG 490 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3cd7 h ARG 490 CO -0.01 0.67 0.48 0.78 -1.51 0.00 0.00 179.97 180.38 3cd7 h GLY 491 N 1.23 1.32 0.83 2.80 0.00 -1.20 -1.99 103.07 106.07 3cd7 h GLY 491 Ca 0.02 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 3cd7 h GLY 491 CO 0.07 0.57 -0.14 -2.08 0.00 0.00 0.00 176.54 174.97 3cd7 h VAL 492 N 1.24 1.31 -0.55 4.60 2.07 -1.05 -2.23 116.25 121.63 3cd7 h VAL 492 Ca 0.31 -1.24 0.10 0.00 0.82 0.00 0.00 66.70 66.69 3cd7 h VAL 492 Cb 0.03 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 3cd7 h VAL 492 CO -0.05 0.38 0.12 -1.28 0.02 0.00 0.00 177.57 176.76 3cd7 h SER 493 N 0.18 0.02 -0.20 0.57 0.87 -0.83 -1.48 113.55 112.68 3cd7 h SER 493 Ca 0.05 0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.50 3cd7 h SER 493 Cb 0.65 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3cd7 h SER 493 CO 0.04 0.03 -0.65 0.40 -0.53 0.00 0.00 176.83 176.12 3cd7 h ILE 494 N 0.26 1.28 -0.72 2.23 5.03 -1.35 -2.03 117.51 122.22 3cd7 h ILE 494 Ca 0.28 -1.84 -0.02 0.00 -0.12 0.00 0.00 64.86 63.17 3cd7 h ILE 494 Cb 0.40 1.79 -0.03 0.00 -3.03 0.00 0.00 36.82 35.94 3cd7 h ILE 494 CO -0.36 0.59 0.38 -0.09 -0.68 0.00 0.00 178.15 178.00 3cd7 h ARG 495 N 0.60 1.01 -0.20 2.37 2.43 -1.09 -1.08 114.38 118.41 3cd7 h ARG 495 Ca -0.01 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3cd7 h ARG 495 Cb 1.26 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3cd7 h ARG 495 CO 0.14 0.76 0.10 0.00 -1.51 0.00 0.00 179.97 179.46 3cd7 h ARG 496 N 0.99 0.21 -0.62 0.20 3.08 -1.21 -1.11 114.38 115.91 3cd7 h ARG 496 Ca 0.25 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3cd7 h ARG 496 Cb 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3cd7 h ARG 496 CO -0.04 0.14 0.36 1.96 -1.07 0.00 0.00 179.97 181.31 3cd7 h GLN 497 N 0.21 0.85 -0.55 0.04 4.20 -0.92 0.68 115.11 119.62 3cd7 h GLN 497 Ca 0.08 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3cd7 h GLN 497 Cb 0.02 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3cd7 h GLN 497 CO -0.06 0.62 0.28 -0.07 -0.67 0.00 0.00 178.83 178.94 3cd7 h LEU 498 N 0.84 0.71 -0.85 1.46 3.38 -1.11 -3.08 115.31 116.65 3cd7 h LEU 498 Ca 0.22 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3cd7 h LEU 498 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3cd7 h LEU 498 CO -0.04 0.62 0.06 0.25 0.09 0.00 0.00 178.44 179.41 3cd7 h LEU 499 N 0.74 0.87 -1.17 1.67 5.85 -0.61 -3.18 115.31 119.49 3cd7 h LEU 499 Ca 0.19 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3cd7 h LEU 499 Cb 0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3cd7 h LEU 499 CO -0.03 0.90 0.38 0.28 -0.34 0.00 0.00 178.44 179.64 3cd7 h SER 500 N 0.86 0.85 0.78 1.25 0.02 -0.79 -1.99 113.55 114.53 3cd7 h SER 500 Ca 0.17 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3cd7 h SER 500 Cb 0.43 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3cd7 h SER 500 CO 0.01 0.69 -0.13 0.11 -1.14 0.00 0.00 176.83 176.37 3cd7 h LYS 501 N 0.96 0.00 -0.00 3.45 1.57 -1.58 -2.66 116.57 118.31 3cd7 h LYS 501 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3cd7 h LYS 501 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3cd7 h LYS 501 CO -0.04 0.13 -0.17 1.63 -0.57 0.00 0.00 179.45 180.43 3cd7 n LYS 502 N -3.35 0.68 -3.59 3.15 5.02 -0.76 -4.89 118.16 114.42 3cd7 n LYS 502 Ca -0.00 -0.30 -0.35 0.00 -2.02 0.00 0.00 58.31 55.64 3cd7 n LYS 502 Cb 0.34 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 3cd7 n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cd7 s LEU 503 N -2.53 4.36 0.58 -0.35 1.43 -1.00 -4.98 118.68 116.19 3cd7 s LEU 503 Ca 0.26 0.77 0.36 0.00 -1.03 0.00 0.00 54.13 54.49 3cd7 s LEU 503 Cb 0.20 -2.91 1.74 0.00 0.03 0.00 0.00 46.19 45.25 3cd7 s LEU 503 CO 0.50 0.20 2.14 0.77 0.23 0.00 0.00 176.35 180.18 3cd7 h SER 504 N 3.83 0.00 -3.71 2.29 4.64 -1.90 -3.31 113.55 115.40 3cd7 h SER 504 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.17 3cd7 h SER 504 Cb 1.20 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.90 3cd7 h SER 504 CO 0.66 0.04 -0.75 -1.61 -0.87 0.00 0.00 176.83 174.29 3cd7 s GLU 505 N -3.97 1.68 0.34 4.77 0.41 -1.26 -5.02 118.70 115.65 3cd7 s GLU 505 Ca -0.02 -1.60 0.26 0.00 -0.41 0.00 0.00 54.97 53.21 3cd7 s GLU 505 Cb 0.11 -2.99 1.06 0.00 -1.78 0.00 0.00 34.13 30.53 3cd7 s GLU 505 CO 0.51 -0.80 1.79 -1.35 -0.49 0.00 0.00 175.26 174.92 3cd7 h PRO 506 N 7.71 0.00 -0.46 0.39 0.11 -1.72 -2.73 132.00 135.30 3cd7 h PRO 506 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3cd7 h PRO 506 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3cd7 h PRO 506 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 3cd7 n SER 507 N -2.48 2.18 -0.28 -2.05 3.41 -1.26 -4.51 113.62 108.62 3cd7 n SER 507 Ca 0.02 -2.11 -0.04 0.00 -0.26 0.00 0.00 58.87 56.48 3cd7 n SER 507 Cb 0.27 -0.32 0.08 0.00 -0.26 0.00 0.00 64.21 63.98 3cd7 n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cd7 h SER 508 N 1.95 0.86 -0.04 4.04 0.02 -1.87 -2.76 113.55 115.75 3cd7 h SER 508 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cd7 h SER 508 Cb 0.65 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3cd7 h SER 508 CO 0.06 0.61 0.00 0.18 -1.14 0.00 0.00 176.83 176.54 3cd7 n LEU 509 N -4.57 0.38 -0.15 5.07 4.77 -1.26 -4.36 117.00 116.87 3cd7 n LEU 509 Ca 0.08 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 3cd7 n LEU 509 Cb 0.05 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3cd7 n LEU 509 CO 0.35 0.08 0.66 -0.61 -1.33 0.00 0.00 177.39 176.54 3cd7 h GLN 510 N 0.50 -0.17 -0.28 3.23 4.15 -1.82 -2.21 115.11 118.50 3cd7 h GLN 510 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3cd7 h GLN 510 Cb 0.11 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3cd7 h GLN 510 CO 0.00 -0.12 0.00 0.66 -1.93 0.00 0.00 178.83 177.44 3cd7 n TYR 511 N -5.42 0.36 -2.71 3.99 4.02 -1.26 -4.73 117.16 111.42 3cd7 n TYR 511 Ca 0.03 -0.18 -0.43 0.00 -0.01 0.00 0.00 57.90 57.31 3cd7 n TYR 511 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 3cd7 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3cd7 s LEU 512 N -1.47 3.82 0.64 7.72 2.96 -0.83 -5.03 118.68 126.48 3cd7 s LEU 512 Ca 0.34 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 3cd7 s LEU 512 Cb 0.19 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 3cd7 s LEU 512 CO 0.28 -1.13 1.09 -2.16 -1.32 0.00 0.00 176.35 173.10 3cd7 s PRO 513 N 4.08 2.99 0.00 0.98 0.04 -1.26 -4.89 135.00 136.93 3cd7 s PRO 513 Ca 0.43 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3cd7 s PRO 513 Cb -0.09 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3cd7 s PRO 513 CO 0.28 -1.09 0.00 2.48 0.04 0.00 0.00 177.00 178.72 3cd7 n TYR 514 N -2.33 0.00 -2.13 0.56 0.18 -1.26 -1.61 117.16 110.56 3cd7 n TYR 514 Ca 0.10 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.49 3cd7 n TYR 514 Cb 0.52 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.48 3cd7 n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3cd7 s ARG 515 N -0.92 3.84 -1.57 -3.48 0.52 -1.26 -3.82 118.95 112.27 3cd7 s ARG 515 Ca 0.00 1.99 -0.03 0.00 -0.52 0.00 0.00 55.73 57.17 3cd7 s ARG 515 Cb 0.00 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.88 3cd7 s ARG 515 CO 0.00 -0.55 0.42 -0.25 0.02 0.00 0.00 175.30 174.94 3cd7 n ASP 516 N -0.18 -5.92 -4.66 0.23 8.00 -1.26 -5.00 116.55 107.76 3cd7 n ASP 516 Ca 0.06 -0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 3cd7 n ASP 516 Cb 0.46 -4.80 -0.10 0.00 -0.02 0.00 0.00 41.12 36.66 3cd7 n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cd7 s TYR 517 N -3.12 3.08 -1.05 1.24 5.04 -1.25 -5.04 117.35 116.26 3cd7 s TYR 517 Ca 0.21 0.12 -0.23 0.00 -2.44 0.00 0.00 57.07 54.73 3cd7 s TYR 517 Cb -0.09 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.44 3cd7 s TYR 517 CO 0.26 0.44 1.87 1.21 -1.34 0.00 0.00 175.55 177.98 3cd7 s ASN 518 N -1.04 5.40 0.00 4.32 3.84 -1.26 -4.76 114.94 121.43 3cd7 s ASN 518 Ca 0.15 -1.25 0.25 0.00 0.21 0.00 0.00 52.86 52.21 3cd7 s ASN 518 Cb -0.11 -2.57 1.22 0.00 -0.55 0.00 0.00 41.25 39.24 3cd7 s ASN 518 CO 0.04 -2.59 1.83 -1.22 -2.79 0.00 0.00 177.10 172.37 3cd7 n TYR 519 N 13.07 0.00 -0.02 0.43 4.02 -1.26 -3.58 117.16 129.82 3cd7 n TYR 519 Ca 0.42 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.30 3cd7 n TYR 519 Cb 0.47 -0.33 0.27 0.00 -0.02 0.00 0.00 39.34 39.73 3cd7 n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3cd7 h SER 520 N 0.00 0.54 -0.14 7.72 4.64 -1.93 -1.04 113.55 123.34 3cd7 h SER 520 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3cd7 h SER 520 Cb 0.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3cd7 h SER 520 CO 0.00 0.62 0.00 0.18 -0.87 0.00 0.00 176.83 176.76 3cd7 n LEU 521 N -4.26 1.61 -0.05 5.97 4.77 -1.23 -4.32 117.00 119.47 3cd7 n LEU 521 Ca 0.02 -0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 3cd7 n LEU 521 Cb 0.26 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3cd7 n LEU 521 CO 0.39 0.33 -0.86 0.52 -1.33 0.00 0.00 177.39 176.44 3cd7 n VAL 522 N 0.28 0.59 -1.68 4.08 0.31 -0.96 -4.56 118.33 116.38 3cd7 n VAL 522 Ca 0.17 -0.16 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 3cd7 n VAL 522 Cb 0.33 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 3cd7 n VAL 522 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3cd7 n MET 523 N -3.35 2.46 -1.05 5.55 2.81 -0.43 -1.35 117.12 121.76 3cd7 n MET 523 Ca -0.21 0.90 -0.02 0.00 -1.81 0.00 0.00 57.70 56.56 3cd7 n MET 523 Cb 0.66 -2.74 -0.01 0.00 -0.71 0.00 0.00 33.22 30.42 3cd7 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cd7 n GLY 524 N 4.00 0.51 0.88 3.03 0.00 -1.26 -4.78 105.19 107.57 3cd7 n GLY 524 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3cd7 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 n ALA 525 N 1.03 1.78 0.00 4.61 0.00 -0.91 -5.02 120.51 122.00 3cd7 n ALA 525 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3cd7 n ALA 525 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3cd7 n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cd7 s GLU 528 N -1.56 1.65 -1.52 0.00 8.01 -1.26 -4.19 118.70 119.82 3cd7 s GLU 528 Ca -0.10 -1.87 -0.09 0.00 0.01 0.00 0.00 54.97 52.92 3cd7 s GLU 528 Cb -0.02 -1.22 0.07 0.00 -4.31 0.00 0.00 34.13 28.66 3cd7 s GLU 528 CO 0.05 -0.01 0.67 0.09 0.01 0.00 0.00 175.26 176.08 3cd7 n ASN 529 N -0.67 -2.23 -4.72 -0.19 3.02 -1.26 -4.88 115.26 104.32 3cd7 n ASN 529 Ca -0.05 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 3cd7 n ASN 529 Cb 0.64 -3.20 -0.03 0.00 -0.61 0.00 0.00 39.78 36.58 3cd7 n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cd7 s VAL 530 N -3.59 3.90 0.00 2.41 1.01 -1.26 -4.93 120.40 117.94 3cd7 s VAL 530 Ca 0.37 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3cd7 s VAL 530 Cb -0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3cd7 s VAL 530 CO 0.88 0.17 0.80 2.30 0.00 0.00 0.00 175.10 179.25 3cd7 n ILE 531 N 3.32 0.64 -0.84 2.22 -5.35 -1.26 -4.62 119.36 113.47 3cd7 n ILE 531 Ca 0.07 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 3cd7 n ILE 531 Cb 0.46 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3cd7 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cd7 n GLY 532 N -0.32 0.35 3.07 3.28 0.00 -1.26 -4.76 105.19 105.55 3cd7 n GLY 532 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 3cd7 n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cd7 s TYR 533 N -3.45 0.26 -0.31 1.61 -0.85 -0.64 -4.95 117.35 109.02 3cd7 s TYR 533 Ca 0.00 -0.57 -0.06 0.00 -0.52 0.00 0.00 57.07 55.92 3cd7 s TYR 533 Cb 0.00 -0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.17 3cd7 s TYR 533 CO 0.00 -0.30 0.07 1.41 -1.52 0.00 0.00 175.55 175.21 3cd7 s MET 534 N -2.33 2.82 -0.11 -3.49 -2.45 -1.26 -4.13 119.30 108.35 3cd7 s MET 534 Ca -0.08 -1.03 -0.30 0.00 -1.25 0.00 0.00 55.69 53.04 3cd7 s MET 534 Cb -0.03 -3.35 -0.01 0.00 1.25 0.00 0.00 34.83 32.69 3cd7 s MET 534 CO -0.04 -0.54 1.03 -1.25 1.05 0.00 0.00 175.02 175.27 3cd7 s PRO 535 N 1.42 4.40 -0.20 4.11 0.04 -1.26 -5.03 135.00 138.48 3cd7 s PRO 535 Ca -0.00 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 3cd7 s PRO 535 Cb -0.18 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 3cd7 s PRO 535 CO 0.01 -0.36 -0.03 0.42 0.04 0.00 0.00 177.00 177.09 3cd7 s ILE 536 N 2.15 3.68 0.27 0.56 -1.09 -1.26 -5.09 121.20 120.43 3cd7 s ILE 536 Ca 0.49 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 3cd7 s ILE 536 Cb -0.19 -2.66 -0.13 0.00 -1.58 0.00 0.00 42.46 37.90 3cd7 s ILE 536 CO 0.17 0.43 1.38 -2.65 -1.23 0.00 0.00 174.94 173.04 3cd7 n PRO 537 N 4.37 2.08 -4.87 2.79 -0.02 -1.26 -4.78 135.00 133.32 3cd7 n PRO 537 Ca -0.18 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 3cd7 n PRO 537 Cb 0.52 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 3cd7 n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cd7 s VAL 538 N -0.35 2.83 0.34 -1.45 1.01 -1.26 -1.78 120.40 119.74 3cd7 s VAL 538 Ca 0.64 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3cd7 s VAL 538 Cb -0.62 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3cd7 s VAL 538 CO 0.53 0.53 0.01 -0.83 0.00 0.00 0.00 175.10 175.35 3cd7 s GLY 539 N 0.36 2.13 -0.11 4.51 0.00 0.59 -4.92 107.32 109.88 3cd7 s GLY 539 Ca -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.53 3cd7 s GLY 539 CO 0.06 -1.90 -0.18 0.54 0.00 0.00 0.00 173.10 171.62 3cd7 s VAL 540 N -3.06 1.68 -0.20 1.40 0.11 -1.26 -0.31 120.40 118.75 3cd7 s VAL 540 Ca 0.34 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.57 3cd7 s VAL 540 Cb 0.08 -1.50 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 3cd7 s VAL 540 CO 0.15 0.48 0.04 0.00 -3.33 0.00 0.00 175.10 172.44 3cd7 s ALA 541 N 0.81 3.24 0.00 1.54 0.00 -0.58 -4.94 121.76 121.82 3cd7 s ALA 541 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3cd7 s ALA 541 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3cd7 s ALA 541 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3cd7 n GLY 542 N 4.01 -0.00 3.76 0.00 0.00 -1.26 -1.31 105.19 110.40 3cd7 n GLY 542 Ca -0.17 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 3cd7 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd7 s PRO 543 N -2.00 4.45 -0.39 1.61 0.04 -1.26 -4.96 135.00 132.49 3cd7 s PRO 543 Ca 0.00 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 3cd7 s PRO 543 Cb 0.00 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.50 3cd7 s PRO 543 CO 0.00 0.00 0.39 -1.17 0.04 0.00 0.00 177.00 176.26 3cd7 s LEU 544 N -1.76 4.74 -0.67 -3.56 2.96 0.36 -4.67 118.68 116.09 3cd7 s LEU 544 Ca 0.48 -0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3cd7 s LEU 544 Cb -0.34 -2.33 0.07 0.00 0.50 0.00 0.00 46.19 44.09 3cd7 s LEU 544 CO 0.44 -0.47 0.97 0.00 -1.32 0.00 0.00 176.35 175.96 3cd7 s LEU 546 N 4.01 1.11 -1.48 0.00 2.96 -0.54 -0.58 118.68 124.15 3cd7 s LEU 546 Ca 0.22 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3cd7 s LEU 546 Cb -0.16 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 45.93 3cd7 s LEU 546 CO 0.09 -0.11 0.79 0.47 -1.32 0.00 0.00 176.35 176.28 3cd7 n ASP 547 N 4.68 -2.93 -0.16 3.68 8.00 -0.28 -1.63 116.55 127.91 3cd7 n ASP 547 Ca -0.15 -0.86 -0.02 0.00 0.71 0.00 0.00 54.79 54.47 3cd7 n ASP 547 Cb 0.50 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 37.97 3cd7 n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cd7 n GLU 548 N -4.49 -0.78 -4.56 -1.24 1.02 -1.26 -5.00 120.64 104.32 3cd7 n GLU 548 Ca -0.10 0.35 -0.27 0.00 -0.02 0.00 0.00 57.16 57.13 3cd7 n GLU 548 Cb 0.59 -4.03 -0.11 0.00 -0.02 0.00 0.00 31.44 27.87 3cd7 n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cd7 s LYS 549 N -1.28 1.86 -0.07 3.49 1.02 -0.64 -5.15 119.74 118.96 3cd7 s LYS 549 Ca 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 55.97 54.06 3cd7 s LYS 549 Cb 0.00 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3cd7 s LYS 549 CO 0.00 0.09 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.07 3cd7 s GLU 550 N -3.64 2.71 -0.03 1.68 2.02 -1.26 -1.47 118.70 118.71 3cd7 s GLU 550 Ca 0.33 -0.89 0.05 0.00 0.02 0.00 0.00 54.97 54.48 3cd7 s GLU 550 Cb 0.04 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 3cd7 s GLU 550 CO 0.17 0.32 -0.19 -0.06 0.02 0.00 0.00 175.26 175.52 3cd7 s PHE 551 N -0.01 1.82 -0.40 1.61 0.40 -0.56 -4.90 117.98 115.93 3cd7 s PHE 551 Ca -0.08 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 3cd7 s PHE 551 Cb -0.15 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.24 3cd7 s PHE 551 CO 0.05 -0.11 0.24 -0.65 0.70 0.00 0.00 175.22 175.46 3cd7 s GLN 552 N -0.22 2.74 -0.25 0.44 -1.52 -1.26 -0.49 119.66 119.09 3cd7 s GLN 552 Ca 0.02 -1.27 -0.19 0.00 -1.95 0.00 0.00 55.36 51.97 3cd7 s GLN 552 Cb -0.10 -3.78 -0.03 0.00 -0.22 0.00 0.00 33.01 28.88 3cd7 s GLN 552 CO 0.01 -0.84 0.55 0.08 -0.25 0.00 0.00 175.29 174.84 3cd7 s VAL 553 N 1.50 5.05 0.19 1.09 1.01 -0.42 -4.55 120.40 124.27 3cd7 s VAL 553 Ca 0.02 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 3cd7 s VAL 553 Cb -0.21 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3cd7 s VAL 553 CO 0.05 0.08 0.88 -2.16 0.00 0.00 0.00 175.10 173.95 3cd7 s PRO 554 N 2.31 4.73 -0.08 2.72 0.04 -1.26 -1.53 135.00 141.93 3cd7 s PRO 554 Ca 0.23 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 3cd7 s PRO 554 Cb -0.16 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 31.13 3cd7 s PRO 554 CO 0.09 0.47 0.06 -1.64 0.04 0.00 0.00 177.00 176.02 3cd7 s MET 555 N -0.92 0.08 -0.34 4.56 -1.94 0.57 -4.26 119.30 117.05 3cd7 s MET 555 Ca 0.40 0.21 -0.12 0.00 -1.71 0.00 0.00 55.69 54.48 3cd7 s MET 555 Cb -0.24 -0.92 -0.01 0.00 2.01 0.00 0.00 34.83 35.67 3cd7 s MET 555 CO 0.29 -0.41 0.21 0.00 -0.01 0.00 0.00 175.02 175.10 3cd7 s ALA 556 N 2.12 3.39 0.18 3.03 0.00 -0.30 -0.30 121.76 129.90 3cd7 s ALA 556 Ca 0.04 -1.44 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 3cd7 s ALA 556 Cb -0.13 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.49 3cd7 s ALA 556 CO -0.05 -1.01 0.62 -0.08 0.00 0.00 0.00 175.76 175.24 3cd7 s THR 557 N 1.66 0.00 -0.13 0.00 -1.32 -0.73 -4.21 115.64 110.91 3cd7 s THR 557 Ca 0.05 -0.20 0.18 0.00 -1.21 0.00 0.00 61.69 60.50 3cd7 s THR 557 Cb -0.18 -1.20 0.29 0.00 -1.51 0.00 0.00 72.50 69.90 3cd7 s THR 557 CO 0.08 0.00 1.15 0.35 -2.21 0.00 0.00 174.62 173.99 3cd7 n THR 558 N -0.40 1.82 -3.54 5.08 -2.24 -1.26 -4.18 114.28 109.56 3cd7 n THR 558 Ca -0.14 -2.23 -0.40 0.00 -2.27 0.00 0.00 64.05 59.00 3cd7 n THR 558 Cb 0.64 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 3cd7 n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cd7 s GLU 559 N -2.76 3.51 0.31 -0.78 2.12 -1.26 -5.05 118.70 114.79 3cd7 s GLU 559 Ca 0.31 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 3cd7 s GLU 559 Cb 0.27 -3.80 -0.12 0.00 0.26 0.00 0.00 34.13 30.75 3cd7 s GLU 559 CO 0.02 -0.43 1.46 0.41 -0.54 0.00 0.00 175.26 176.18 3cd7 n GLY 560 N 5.10 1.02 2.69 -1.50 0.00 -1.26 -2.97 105.19 108.27 3cd7 n GLY 560 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3cd7 n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 h LEU 562 N 0.00 0.63 -0.12 0.00 5.85 -1.97 0.42 115.31 120.12 3cd7 h LEU 562 Ca 0.00 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3cd7 h LEU 562 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3cd7 h LEU 562 CO 0.00 0.61 -0.15 0.58 -0.34 0.00 0.00 178.44 179.15 3cd7 h VAL 563 N 0.61 1.37 -0.43 1.05 2.07 -1.90 -1.34 116.25 117.67 3cd7 h VAL 563 Ca 0.16 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3cd7 h VAL 563 Cb 0.17 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3cd7 h VAL 563 CO -0.01 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.16 3cd7 h ALA 564 N 0.57 0.53 -0.39 1.67 0.00 -1.92 0.18 119.26 119.89 3cd7 h ALA 564 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cd7 h ALA 564 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3cd7 h ALA 564 CO 0.03 -0.17 0.23 1.03 0.00 0.00 0.00 179.25 180.38 3cd7 h SER 565 N 0.40 0.48 -0.38 0.00 0.87 -0.91 -1.09 113.55 112.91 3cd7 h SER 565 Ca 0.19 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3cd7 h SER 565 Cb 0.12 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3cd7 h SER 565 CO -0.15 0.40 0.16 0.74 -0.53 0.00 0.00 176.83 177.45 3cd7 h THR 566 N 0.51 1.17 -0.53 2.23 2.02 -0.75 -2.23 112.91 115.34 3cd7 h THR 566 Ca 0.14 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 3cd7 h THR 566 Cb 0.01 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3cd7 h THR 566 CO -0.03 0.21 0.05 -1.13 0.37 0.00 0.00 175.52 175.00 3cd7 h ASN 567 N 0.62 0.87 -0.21 4.18 -1.24 -0.04 -2.02 115.58 117.72 3cd7 h ASN 567 Ca 0.15 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.83 3cd7 h ASN 567 Cb 0.15 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3cd7 h ASN 567 CO -0.01 0.93 -0.00 -0.09 -1.29 0.00 0.00 177.43 176.96 3cd7 h ARG 568 N 0.78 0.50 -0.63 6.67 2.43 -0.78 -1.68 114.38 121.67 3cd7 h ARG 568 Ca 0.16 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3cd7 h ARG 568 Cb 0.45 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3cd7 h ARG 568 CO 0.02 0.53 0.23 0.78 -1.51 0.00 0.00 179.97 180.02 3cd7 h GLY 569 N 0.82 1.03 1.06 2.80 0.00 -1.18 -1.91 103.07 105.69 3cd7 h GLY 569 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3cd7 h GLY 569 CO 0.01 0.54 0.54 0.00 0.00 0.00 0.00 176.54 177.64 3cd7 h ARG 571 N 1.26 0.97 -0.45 0.00 9.65 -0.97 -0.91 114.38 123.93 3cd7 h ARG 571 Ca 0.33 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3cd7 h ARG 571 Cb -0.04 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 3cd7 h ARG 571 CO -0.06 0.82 0.19 0.00 2.80 0.00 0.00 179.97 183.72 3cd7 h ALA 572 N 1.10 0.58 -0.65 2.80 0.00 -1.17 -2.49 119.26 119.43 3cd7 h ALA 572 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cd7 h ALA 572 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3cd7 h ALA 572 CO -0.02 0.17 0.34 0.82 0.00 0.00 0.00 179.25 180.57 3cd7 h ILE 573 N 0.58 1.21 -0.44 0.00 2.04 -1.13 -1.89 117.51 117.88 3cd7 h ILE 573 Ca 0.15 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3cd7 h ILE 573 Cb 0.17 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3cd7 h ILE 573 CO -0.01 0.24 0.01 1.23 0.00 0.00 0.00 178.15 179.62 3cd7 h GLY 574 N 0.89 0.83 2.00 5.37 0.00 -1.02 -0.83 103.07 110.31 3cd7 h GLY 574 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3cd7 h GLY 574 CO -0.03 0.55 0.00 1.41 0.00 0.00 0.00 176.54 178.47 3cd7 h LEU 575 N 0.62 0.00 -0.84 3.11 3.38 -1.43 -2.98 115.31 117.17 3cd7 h LEU 575 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3cd7 h LEU 575 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3cd7 h LEU 575 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3cd7 n GLY 576 N 0.31 -0.05 0.16 0.83 0.00 -0.71 -4.92 105.19 100.81 3cd7 n GLY 576 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3cd7 n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 577 N 1.09 0.92 0.00 -0.02 0.00 -1.05 -4.67 105.19 101.45 3cd7 n GLY 577 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3cd7 n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 578 N -2.07 0.15 3.87 -0.02 0.00 -0.38 -5.02 105.19 101.72 3cd7 n GLY 578 Ca 0.00 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 3cd7 n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 579 N -2.76 3.76 0.01 4.61 0.00 0.25 -4.62 121.76 123.02 3cd7 s ALA 579 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.56 3cd7 s ALA 579 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3cd7 s ALA 579 CO 0.00 0.18 -0.09 -1.12 0.00 0.00 0.00 175.76 174.73 3cd7 s SER 580 N -3.93 1.09 0.04 0.00 0.01 -0.50 -1.13 113.70 109.28 3cd7 s SER 580 Ca 0.36 -0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 3cd7 s SER 580 Cb -0.08 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3cd7 s SER 580 CO 0.27 0.04 -0.03 -0.94 0.41 0.00 0.00 173.24 172.98 3cd7 s SER 581 N -0.62 0.43 -0.01 2.44 1.04 -1.26 -1.05 113.70 114.67 3cd7 s SER 581 Ca 0.01 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3cd7 s SER 581 Cb -0.05 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3cd7 s SER 581 CO 0.00 -0.43 0.02 -0.13 0.98 0.00 0.00 173.24 173.67 3cd7 s ARG 582 N -2.66 0.02 -0.18 4.02 1.81 -0.43 -5.00 118.95 116.52 3cd7 s ARG 582 Ca -0.04 0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 53.79 3cd7 s ARG 582 Cb -0.01 -0.20 -0.01 0.00 -0.45 0.00 0.00 34.95 34.28 3cd7 s ARG 582 CO -0.05 -0.11 1.20 0.08 -0.68 0.00 0.00 175.30 175.74 3cd7 s VAL 583 N 0.72 4.39 -0.11 3.52 1.01 -1.26 -1.96 120.40 126.71 3cd7 s VAL 583 Ca -0.06 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.71 3cd7 s VAL 583 Cb -0.09 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 3cd7 s VAL 583 CO -0.02 -0.15 0.40 0.18 0.00 0.00 0.00 175.10 175.51 3cd7 n LEU 584 N 6.53 1.07 -3.77 3.92 4.77 0.20 -4.99 117.00 124.74 3cd7 n LEU 584 Ca 0.13 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 3cd7 n LEU 584 Cb 0.45 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3cd7 n LEU 584 CO 0.55 0.53 0.12 0.00 -1.33 0.00 0.00 177.39 177.26 3cd7 s ALA 585 N -2.56 -0.63 -0.25 -1.18 0.00 -1.13 -4.97 121.76 111.04 3cd7 s ALA 585 Ca -0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 3cd7 s ALA 585 Cb 0.07 0.76 0.13 0.00 0.00 0.00 0.00 23.12 24.08 3cd7 s ALA 585 CO 0.80 -0.68 0.52 0.34 0.00 0.00 0.00 175.76 176.74 3cd7 s ASP 586 N -2.87 -0.67 0.00 0.00 -1.08 -1.25 -1.28 116.67 109.53 3cd7 s ASP 586 Ca 0.09 1.07 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 3cd7 s ASP 586 Cb 0.02 1.77 0.00 0.00 -1.46 0.00 0.00 42.92 43.25 3cd7 s ASP 586 CO -0.06 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3cd7 n GLY 587 N 5.41 1.46 3.76 2.66 0.00 0.08 -4.33 105.19 114.23 3cd7 n GLY 587 Ca -0.08 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 3cd7 n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cd7 s MET 588 N 0.00 2.45 0.12 1.61 1.75 -0.78 -1.33 119.30 123.12 3cd7 s MET 588 Ca 0.00 1.36 0.03 0.00 -1.25 0.00 0.00 55.69 55.84 3cd7 s MET 588 Cb 0.00 -1.91 -0.04 0.00 2.84 0.00 0.00 34.83 35.72 3cd7 s MET 588 CO 0.00 -1.52 -0.09 0.95 -0.65 0.00 0.00 175.02 173.71 3cd7 s THR 589 N -2.51 0.96 -0.07 10.11 -4.23 -1.26 -1.86 115.64 116.78 3cd7 s THR 589 Ca 0.66 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3cd7 s THR 589 Cb -0.20 -1.70 0.03 0.00 1.34 0.00 0.00 72.50 71.97 3cd7 s THR 589 CO 0.48 -0.76 0.16 -0.60 -0.54 0.00 0.00 174.62 173.36 3cd7 s ARG 590 N -3.59 0.13 -0.63 3.99 6.06 -0.73 -4.92 118.95 119.25 3cd7 s ARG 590 Ca 0.13 0.35 0.06 0.00 -2.50 0.00 0.00 55.73 53.76 3cd7 s ARG 590 Cb 0.02 -0.10 0.21 0.00 0.06 0.00 0.00 34.95 35.15 3cd7 s ARG 590 CO -0.01 -0.13 0.60 0.41 -2.50 0.00 0.00 175.30 173.67 3cd7 n GLY 591 N 3.88 4.17 3.71 8.12 0.00 -1.26 -1.68 105.19 122.12 3cd7 n GLY 591 Ca -0.23 -2.51 -0.32 0.00 0.00 0.00 0.00 46.02 42.96 3cd7 n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd7 s PRO 592 N -1.81 1.63 -0.19 1.61 0.04 -1.15 -0.98 135.00 134.15 3cd7 s PRO 592 Ca 0.33 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3cd7 s PRO 592 Cb 0.07 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 3cd7 s PRO 592 CO -0.09 -2.19 -0.11 0.54 0.04 0.00 0.00 177.00 175.19 3cd7 s VAL 593 N -2.40 2.92 0.19 -0.36 0.11 -0.80 -2.34 120.40 117.72 3cd7 s VAL 593 Ca 0.69 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 3cd7 s VAL 593 Cb -0.25 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 3cd7 s VAL 593 CO 0.52 0.48 0.08 0.68 -3.33 0.00 0.00 175.10 173.53 3cd7 s VAL 594 N 1.19 4.09 -0.05 2.04 -7.23 -0.65 -1.82 120.40 117.98 3cd7 s VAL 594 Ca 0.02 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 3cd7 s VAL 594 Cb -0.14 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.69 3cd7 s VAL 594 CO -0.04 -0.16 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.25 3cd7 s ARG 595 N -3.17 2.18 0.29 4.82 0.52 0.23 -1.10 118.95 122.72 3cd7 s ARG 595 Ca 0.30 -0.77 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 3cd7 s ARG 595 Cb -0.09 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3cd7 s ARG 595 CO 0.21 0.32 0.04 -0.51 0.02 0.00 0.00 175.30 175.39 3cd7 s LEU 596 N -0.09 3.20 0.24 2.53 1.02 -0.81 -0.25 118.68 124.52 3cd7 s LEU 596 Ca -0.03 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 3cd7 s LEU 596 Cb -0.13 -1.70 0.45 0.00 0.02 0.00 0.00 46.19 44.84 3cd7 s LEU 596 CO 0.03 -0.10 1.69 -0.65 0.02 0.00 0.00 176.35 177.34 3cd7 h PRO 597 N 1.78 0.29 -4.65 1.29 0.11 -1.89 -3.45 132.00 125.48 3cd7 h PRO 597 Ca -0.44 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 3cd7 h PRO 597 Cb 1.25 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3cd7 h PRO 597 CO 0.62 0.19 -0.69 1.03 -0.21 0.00 0.00 178.00 178.94 3cd7 s ARG 598 N -6.04 0.88 0.42 1.05 1.81 -1.26 -4.98 118.95 110.83 3cd7 s ARG 598 Ca -0.13 -1.37 0.18 0.00 -1.72 0.00 0.00 55.73 52.69 3cd7 s ARG 598 Cb 0.21 -0.18 0.96 0.00 -0.45 0.00 0.00 34.95 35.49 3cd7 s ARG 598 CO 0.76 -0.05 1.90 0.00 -0.68 0.00 0.00 175.30 177.22 3cd7 h ALA 599 N 2.92 1.32 -0.35 2.13 0.00 -1.86 -1.85 119.26 121.58 3cd7 h ALA 599 Ca -0.35 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3cd7 h ALA 599 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3cd7 h ALA 599 CO 0.64 0.35 -0.11 0.00 0.00 0.00 0.00 179.25 180.13 3cd7 h ASP 601 N 0.55 0.81 -0.43 0.00 3.32 -1.79 -2.18 116.42 116.70 3cd7 h ASP 601 Ca 0.10 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3cd7 h ASP 601 Cb 0.52 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3cd7 h ASP 601 CO 0.03 1.20 -0.04 0.77 -1.72 0.00 0.00 179.24 179.48 3cd7 h SER 602 N 0.55 0.84 -0.51 6.45 4.64 -1.15 -2.18 113.55 122.19 3cd7 h SER 602 Ca 0.01 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 3cd7 h SER 602 Cb 1.15 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3cd7 h SER 602 CO 0.12 0.93 0.11 0.00 -0.87 0.00 0.00 176.83 177.11 3cd7 h ALA 603 N 1.16 1.13 -0.51 5.18 0.00 -1.28 -1.74 119.26 123.21 3cd7 h ALA 603 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3cd7 h ALA 603 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3cd7 h ALA 603 CO 0.03 0.58 0.19 1.49 0.00 0.00 0.00 179.25 181.54 3cd7 h GLU 604 N 0.84 0.77 -0.47 0.00 4.81 -0.97 -1.39 114.58 118.17 3cd7 h GLU 604 Ca 0.18 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3cd7 h GLU 604 Cb 0.35 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3cd7 h GLU 604 CO 0.00 0.69 -0.09 0.28 -0.73 0.00 0.00 179.01 179.16 3cd7 h VAL 605 N 0.69 1.26 -0.65 0.32 2.07 -1.20 -1.52 116.25 117.23 3cd7 h VAL 605 Ca 0.17 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3cd7 h VAL 605 Cb 0.22 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3cd7 h VAL 605 CO -0.01 0.41 0.30 0.50 0.02 0.00 0.00 177.57 178.79 3cd7 h LYS 606 N 0.77 0.94 -0.43 1.57 3.64 -1.13 -1.31 116.57 120.63 3cd7 h LYS 606 Ca 0.13 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3cd7 h LYS 606 Cb 0.60 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3cd7 h LYS 606 CO 0.04 0.76 -0.09 0.00 -2.27 0.00 0.00 179.45 177.88 3cd7 h ALA 607 N 1.13 1.04 -0.47 5.00 0.00 -1.05 -2.59 119.26 122.32 3cd7 h ALA 607 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3cd7 h ALA 607 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cd7 h ALA 607 CO -0.03 0.58 0.08 2.35 0.00 0.00 0.00 179.25 182.24 3cd7 h TRP 608 N 0.68 0.81 0.00 0.00 7.01 -0.95 -2.63 115.95 120.88 3cd7 h TRP 608 Ca 0.12 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3cd7 h TRP 608 Cb 0.55 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3cd7 h TRP 608 CO 0.03 0.76 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.16 3cd7 h LEU 609 N 0.64 0.00 0.00 0.65 3.38 -1.08 -2.71 115.31 116.19 3cd7 h LEU 609 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3cd7 h LEU 609 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3cd7 h LEU 609 CO 0.01 0.20 -0.43 -0.62 0.09 0.00 0.00 178.44 177.70 3cd7 n GLU 610 N -3.72 0.15 -2.39 1.13 1.02 -0.99 -3.75 120.64 112.08 3cd7 n GLU 610 Ca -0.01 0.06 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 3cd7 n GLU 610 Cb 0.32 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3cd7 n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3cd7 s THR 611 N -3.08 3.38 0.30 2.62 -4.23 -1.02 -4.93 115.64 108.69 3cd7 s THR 611 Ca 0.09 1.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 3cd7 s THR 611 Cb 0.15 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.70 3cd7 s THR 611 CO 0.67 0.04 1.77 -1.28 -0.54 0.00 0.00 174.62 175.28 3cd7 h SER 612 N 2.48 0.74 -0.04 3.99 0.87 -1.89 -1.95 113.55 117.76 3cd7 h SER 612 Ca -0.49 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 3cd7 h SER 612 Cb 1.23 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3cd7 h SER 612 CO 0.62 0.25 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.75 3cd7 h GLU 613 N 0.73 0.13 -0.50 2.24 3.07 -1.91 -2.76 114.58 115.58 3cd7 h GLU 613 Ca 0.57 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.32 3cd7 h GLU 613 Cb 0.89 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 3cd7 h GLU 613 CO -0.39 0.70 0.22 0.78 -1.40 0.00 0.00 179.01 178.92 3cd7 h GLY 614 N -0.42 0.78 1.14 -3.84 0.00 -1.65 -2.75 103.07 96.33 3cd7 h GLY 614 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3cd7 h GLY 614 CO 0.02 0.39 0.38 -2.75 0.00 0.00 0.00 176.54 174.57 3cd7 h PHE 615 N 0.66 1.11 -0.38 5.60 3.57 -1.45 -2.61 116.94 123.44 3cd7 h PHE 615 Ca 0.17 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3cd7 h PHE 615 Cb 0.16 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3cd7 h PHE 615 CO -0.00 0.81 0.12 0.00 -2.23 0.00 0.00 178.31 177.00 3cd7 h ALA 616 N 1.30 1.50 -0.19 2.41 0.00 -1.26 0.10 119.26 123.12 3cd7 h ALA 616 Ca 0.27 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3cd7 h ALA 616 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cd7 h ALA 616 CO -0.03 0.38 -0.27 0.28 0.00 0.00 0.00 179.25 179.60 3cd7 h VAL 617 N 0.54 1.34 -0.58 0.00 2.07 -1.23 -2.20 116.25 116.19 3cd7 h VAL 617 Ca 0.13 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 3cd7 h VAL 617 Cb 0.16 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3cd7 h VAL 617 CO -0.01 0.45 0.05 0.40 0.02 0.00 0.00 177.57 178.48 3cd7 h ILE 618 N 0.19 1.26 -0.71 4.57 1.08 -1.17 -2.61 117.51 120.11 3cd7 h ILE 618 Ca 0.02 -1.04 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 3cd7 h ILE 618 Cb 0.84 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3cd7 h ILE 618 CO 0.06 0.38 0.28 0.50 -0.69 0.00 0.00 178.15 178.69 3cd7 h LYS 619 N 0.90 1.06 -0.54 2.37 3.64 -0.78 -1.17 116.57 122.05 3cd7 h LYS 619 Ca 0.17 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3cd7 h LYS 619 Cb 0.46 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3cd7 h LYS 619 CO 0.02 0.87 0.14 1.49 -2.27 0.00 0.00 179.45 179.71 3cd7 h GLU 620 N 1.01 0.86 -0.68 1.90 4.81 -1.24 0.89 114.58 122.14 3cd7 h GLU 620 Ca 0.24 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3cd7 h GLU 620 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3cd7 h GLU 620 CO -0.02 0.80 0.11 0.00 -0.73 0.00 0.00 179.01 179.18 3cd7 h ALA 621 N 1.02 0.90 0.01 2.92 0.00 -1.19 -2.21 119.26 120.71 3cd7 h ALA 621 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cd7 h ALA 621 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cd7 h ALA 621 CO -0.00 0.67 -0.01 0.35 0.00 0.00 0.00 179.25 180.27 3cd7 h PHE 622 N 1.05 -0.01 0.00 0.00 3.57 -1.06 -3.27 116.94 117.22 3cd7 h PHE 622 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3cd7 h PHE 622 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3cd7 h PHE 622 CO 0.03 0.45 0.00 -0.44 -2.23 0.00 0.00 178.31 176.12 3cd7 h ASP 623 N -0.48 0.00 1.40 0.41 5.19 -0.81 -2.80 116.42 119.34 3cd7 h ASP 623 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3cd7 h ASP 623 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 3cd7 h ASP 623 CO 0.00 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.89 3cd7 h SER 624 N 0.00 0.00 1.18 6.45 4.64 -1.44 -3.29 113.55 121.08 3cd7 h SER 624 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cd7 h SER 624 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3cd7 h SER 624 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3cd7 n THR 625 N -3.06 0.57 -3.56 2.95 -2.24 -1.06 -4.91 114.28 102.97 3cd7 n THR 625 Ca 0.02 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3cd7 n THR 625 Cb 0.39 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 3cd7 n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cd7 s SER 626 N -4.13 -0.41 0.27 3.42 0.15 -1.24 -4.95 113.70 106.82 3cd7 s SER 626 Ca 0.10 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.15 3cd7 s SER 626 Cb 0.13 0.35 0.62 0.00 -1.71 0.00 0.00 66.02 65.40 3cd7 s SER 626 CO 0.52 -0.42 1.70 0.03 1.20 0.00 0.00 173.24 176.28 3cd7 h ARG 627 N 2.55 0.39 0.00 5.44 3.08 -1.91 -2.63 114.38 121.30 3cd7 h ARG 627 Ca -0.20 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 3cd7 h ARG 627 Cb 1.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3cd7 h ARG 627 CO 0.32 0.26 -0.97 0.74 -1.07 0.00 0.00 179.97 179.25 3cd7 h PHE 628 N 0.40 0.00 -2.17 3.04 -1.00 -1.92 -3.47 116.94 111.82 3cd7 h PHE 628 Ca 0.50 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.68 3cd7 h PHE 628 Cb 0.89 0.00 0.05 0.00 3.61 0.00 0.00 35.95 40.51 3cd7 h PHE 628 CO -0.17 0.26 0.78 0.00 -1.61 0.00 0.00 178.31 177.57 3cd7 n ALA 629 N -2.25 1.01 -2.85 2.45 0.00 -0.99 -4.53 120.51 113.34 3cd7 n ALA 629 Ca -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 3cd7 n ALA 629 Cb 0.67 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.80 3cd7 n ALA 629 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3cd7 s ARG 630 N 1.15 0.91 0.14 0.00 3.52 -1.26 -4.71 118.95 118.69 3cd7 s ARG 630 Ca 0.81 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 55.33 3cd7 s ARG 630 Cb -0.72 -0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 32.57 3cd7 s ARG 630 CO 0.40 -1.16 1.51 -1.17 -0.81 0.00 0.00 175.30 174.07 3cd7 s LEU 631 N 1.14 4.37 0.64 -0.88 2.96 -1.26 -4.28 118.68 121.36 3cd7 s LEU 631 Ca 0.26 2.50 0.03 0.00 -0.22 0.00 0.00 54.13 56.70 3cd7 s LEU 631 Cb 0.00 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.20 3cd7 s LEU 631 CO -0.06 -0.77 0.88 -1.10 -1.32 0.00 0.00 176.35 173.98 3cd7 s GLN 632 N 1.21 2.05 -0.15 1.98 -0.21 -0.28 -5.01 119.66 119.24 3cd7 s GLN 632 Ca 0.68 -1.25 -0.42 0.00 0.02 0.00 0.00 55.36 54.40 3cd7 s GLN 632 Cb -0.41 -2.48 -0.20 0.00 1.00 0.00 0.00 33.01 30.93 3cd7 s GLN 632 CO 0.31 -1.10 1.28 1.17 -2.12 0.00 0.00 175.29 174.82 3cd7 n LYS 633 N -2.53 0.15 -2.58 2.91 4.81 -1.26 -4.65 118.16 115.02 3cd7 n LYS 633 Ca 0.14 0.05 -0.41 0.00 -0.87 0.00 0.00 58.31 57.22 3cd7 n LYS 633 Cb 0.61 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 3cd7 n LYS 633 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3cd7 s LEU 634 N 1.08 4.49 -0.17 3.14 1.43 -1.26 -4.73 118.68 122.66 3cd7 s LEU 634 Ca 0.95 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 56.01 3cd7 s LEU 634 Cb -1.30 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.29 3cd7 s LEU 634 CO 0.64 -0.18 -0.02 -2.28 0.23 0.00 0.00 176.35 174.73 3cd7 s HIS 635 N -0.13 3.03 0.09 0.29 5.65 -1.20 -4.99 115.29 118.03 3cd7 s HIS 635 Ca 0.49 -0.34 0.05 0.00 0.25 0.00 0.00 55.06 55.50 3cd7 s HIS 635 Cb -0.28 -2.00 -0.03 0.00 -1.18 0.00 0.00 32.58 29.09 3cd7 s HIS 635 CO 0.33 -0.10 -0.12 0.95 -0.65 0.00 0.00 174.74 175.15 3cd7 s THR 636 N 0.56 1.05 0.00 0.89 -4.23 -1.26 -0.95 115.64 111.71 3cd7 s THR 636 Ca -0.02 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3cd7 s THR 636 Cb -0.14 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 3cd7 s THR 636 CO 0.02 -0.37 -0.02 -0.44 -0.54 0.00 0.00 174.62 173.28 3cd7 s SER 637 N -2.07 0.16 -0.04 3.99 0.01 -0.60 -5.01 113.70 110.14 3cd7 s SER 637 Ca 0.02 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 3cd7 s SER 637 Cb -0.07 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 3cd7 s SER 637 CO 0.02 -0.05 0.02 -0.63 0.41 0.00 0.00 173.24 173.00 3cd7 s ILE 638 N -0.32 4.35 -0.37 1.44 1.01 -1.26 -1.07 121.20 124.99 3cd7 s ILE 638 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3cd7 s ILE 638 Cb -0.02 -2.90 0.14 0.00 0.01 0.00 0.00 42.46 39.69 3cd7 s ILE 638 CO -0.00 0.48 0.22 0.00 0.00 0.00 0.00 174.94 175.65 3cd7 s ALA 639 N -1.01 1.21 0.00 9.38 0.00 -0.93 -5.02 121.76 125.39 3cd7 s ALA 639 Ca 0.17 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.09 3cd7 s ALA 639 Cb -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3cd7 s ALA 639 CO 0.07 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3cd7 n GLY 640 N 3.88 2.48 0.20 0.00 0.00 -1.26 -2.07 105.19 108.42 3cd7 n GLY 640 Ca 0.12 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3cd7 n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cd7 n ARG 641 N 12.91 0.94 -2.57 1.61 1.85 -1.26 -4.34 116.66 125.80 3cd7 n ARG 641 Ca 0.00 -0.41 -0.38 0.00 -1.00 0.00 0.00 57.85 56.06 3cd7 n ARG 641 Cb 0.00 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 3cd7 n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cd7 s ASN 642 N -2.34 7.04 -0.14 2.89 0.01 -0.88 -1.92 114.94 119.60 3cd7 s ASN 642 Ca 0.32 2.08 -0.04 0.00 -0.71 0.00 0.00 52.86 54.50 3cd7 s ASN 642 Cb 0.20 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 39.32 3cd7 s ASN 642 CO 0.45 -0.29 0.07 -0.22 -1.51 0.00 0.00 177.10 175.60 3cd7 s LEU 643 N -2.12 0.41 -0.15 0.60 2.96 -0.26 -2.19 118.68 117.93 3cd7 s LEU 643 Ca 0.52 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 3cd7 s LEU 643 Cb -0.25 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3cd7 s LEU 643 CO 0.31 -0.32 0.35 -0.31 -1.32 0.00 0.00 176.35 175.06 3cd7 s TYR 644 N 2.11 3.47 -0.14 5.38 1.51 -0.23 -1.63 117.35 127.81 3cd7 s TYR 644 Ca 0.02 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.76 3cd7 s TYR 644 Cb -0.15 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.31 3cd7 s TYR 644 CO -0.08 0.20 -0.13 0.42 -1.11 0.00 0.00 175.55 174.85 3cd7 s ILE 645 N 0.57 1.50 -0.52 2.71 1.01 -0.99 -1.56 121.20 123.92 3cd7 s ILE 645 Ca 0.19 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 3cd7 s ILE 645 Cb -0.14 -1.42 0.13 0.00 0.01 0.00 0.00 42.46 41.05 3cd7 s ILE 645 CO 0.06 0.45 0.43 -0.60 0.00 0.00 0.00 174.94 175.28 3cd7 s ARG 646 N 1.50 2.75 -0.07 2.79 3.52 -0.13 -3.11 118.95 126.19 3cd7 s ARG 646 Ca 0.05 -1.80 -0.27 0.00 -0.13 0.00 0.00 55.73 53.57 3cd7 s ARG 646 Cb -0.13 -4.10 -0.02 0.00 -1.56 0.00 0.00 34.95 29.14 3cd7 s ARG 646 CO -0.10 -1.26 0.89 -0.06 -0.81 0.00 0.00 175.30 173.97 3cd7 s PHE 647 N 1.36 3.56 -0.01 5.12 0.40 -0.68 -3.26 117.98 124.48 3cd7 s PHE 647 Ca 0.06 1.48 0.06 0.00 -0.60 0.00 0.00 56.93 57.93 3cd7 s PHE 647 Cb -0.27 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.20 3cd7 s PHE 647 CO 0.00 -0.08 -0.19 -1.14 0.70 0.00 0.00 175.22 174.51 3cd7 s GLN 648 N 1.41 1.51 -0.11 0.44 0.74 -1.26 -1.77 119.66 120.63 3cd7 s GLN 648 Ca 0.45 -0.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 3cd7 s GLN 648 Cb -0.19 -1.47 0.11 0.00 1.10 0.00 0.00 33.01 32.56 3cd7 s GLN 648 CO 0.20 0.40 0.90 0.45 -0.55 0.00 0.00 175.29 176.70 3cd7 s SER 649 N -0.49 -0.44 1.14 6.67 0.15 -0.78 -1.13 113.70 118.82 3cd7 s SER 649 Ca 0.07 0.42 -0.13 0.00 0.70 0.00 0.00 55.95 57.02 3cd7 s SER 649 Cb -0.07 0.37 0.25 0.00 -1.71 0.00 0.00 66.02 64.86 3cd7 s SER 649 CO -0.01 -0.45 0.92 0.54 1.20 0.00 0.00 173.24 175.45 3cd7 n ARG 650 N 0.64 -2.09 -2.70 5.44 5.12 -1.26 -1.86 116.66 119.94 3cd7 n ARG 650 Ca -0.12 -0.58 -0.03 0.00 -1.93 0.00 0.00 57.85 55.19 3cd7 n ARG 650 Cb 0.58 -2.15 0.11 0.00 -1.16 0.00 0.00 32.46 29.85 3cd7 n ARG 650 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3cd7 n SER 651 N -4.49 -0.91 0.00 0.55 3.41 -1.26 -4.50 113.62 106.42 3cd7 n SER 651 Ca 0.04 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3cd7 n SER 651 Cb 0.54 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 3cd7 n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cd7 n GLY 652 N -1.12 3.21 0.15 5.00 0.00 -1.26 -2.54 105.19 108.63 3cd7 n GLY 652 Ca -0.09 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3cd7 n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cd7 n ASP 653 N 3.31 1.31 -4.82 1.61 8.00 -1.26 -3.88 116.55 120.83 3cd7 n ASP 653 Ca 0.00 -1.16 -0.32 0.00 0.71 0.00 0.00 54.79 54.02 3cd7 n ASP 653 Cb 0.00 0.84 0.01 0.00 -0.02 0.00 0.00 41.12 41.95 3cd7 n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd7 s ALA 654 N -2.84 2.81 0.26 2.24 0.00 -1.05 -0.59 121.76 122.58 3cd7 s ALA 654 Ca 0.11 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 3cd7 s ALA 654 Cb 0.17 -3.19 0.29 0.00 0.00 0.00 0.00 23.12 20.39 3cd7 s ALA 654 CO 0.78 -0.78 1.90 1.98 0.00 0.00 0.00 175.76 179.63 3cd7 h MET 655 N 0.25 1.20 0.00 0.00 4.05 -1.73 -3.44 114.93 115.26 3cd7 h MET 655 Ca -0.46 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 3cd7 h MET 655 Cb 1.21 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 3cd7 h MET 655 CO 0.58 0.85 0.00 0.41 0.23 0.00 0.00 176.91 178.99 3cd7 n GLY 656 N -1.23 0.88 0.22 1.39 0.00 -1.26 -4.70 105.19 100.49 3cd7 n GLY 656 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3cd7 n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cd7 h MET 657 N 3.57 0.69 -0.24 1.61 2.86 -1.94 0.96 114.93 122.44 3cd7 h MET 657 Ca 0.00 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3cd7 h MET 657 Cb 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3cd7 h MET 657 CO 0.00 0.56 0.11 -0.91 1.06 0.00 0.00 176.91 177.73 3cd7 h ASN 658 N 0.65 0.31 -0.21 1.22 2.35 -1.99 -1.70 115.58 116.21 3cd7 h ASN 658 Ca 0.17 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3cd7 h ASN 658 Cb 0.08 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3cd7 h ASN 658 CO -0.02 0.35 0.07 -0.03 -1.65 0.00 0.00 177.43 176.15 3cd7 h MET 659 N 0.26 0.32 0.00 0.81 4.05 -1.92 -2.42 114.93 116.02 3cd7 h MET 659 Ca 0.08 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 3cd7 h MET 659 Cb 0.12 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3cd7 h MET 659 CO -0.01 0.40 -0.20 0.82 0.23 0.00 0.00 176.91 178.15 3cd7 h ILE 660 N 0.17 1.05 -0.11 1.77 5.03 -0.81 -2.45 117.51 122.16 3cd7 h ILE 660 Ca 0.07 -0.69 -0.18 0.00 -0.12 0.00 0.00 64.86 63.94 3cd7 h ILE 660 Cb 0.21 1.38 -0.00 0.00 -3.03 0.00 0.00 36.82 35.38 3cd7 h ILE 660 CO -0.00 0.19 -0.69 0.28 -0.68 0.00 0.00 178.15 177.25 3cd7 h SER 661 N 0.00 0.55 -0.20 1.72 0.02 -1.01 -1.24 113.55 113.39 3cd7 h SER 661 Ca -0.00 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 3cd7 h SER 661 Cb 0.37 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3cd7 h SER 661 CO 0.03 1.07 -0.34 0.11 -1.14 0.00 0.00 176.83 176.56 3cd7 h LYS 662 N 0.33 0.58 -0.45 3.45 1.57 -1.18 -1.47 116.57 119.40 3cd7 h LYS 662 Ca -0.02 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 3cd7 h LYS 662 Cb 1.26 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 3cd7 h LYS 662 CO 0.12 0.97 0.19 0.78 -0.57 0.00 0.00 179.45 180.94 3cd7 h GLY 663 N 0.26 0.68 0.89 3.86 0.00 -1.48 -2.87 103.07 104.40 3cd7 h GLY 663 Ca 0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 3cd7 h GLY 663 CO 0.08 0.30 -0.41 -0.84 0.00 0.00 0.00 176.54 175.67 3cd7 h THR 664 N 0.63 1.34 -0.20 4.70 2.02 -1.08 -1.54 112.91 118.79 3cd7 h THR 664 Ca 0.16 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.58 3cd7 h THR 664 Cb 0.12 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3cd7 h THR 664 CO -0.02 0.51 -0.22 -0.33 0.37 0.00 0.00 175.52 175.83 3cd7 h GLU 665 N 0.20 0.36 0.00 6.66 5.08 -1.23 -1.38 114.58 124.27 3cd7 h GLU 665 Ca -0.01 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 3cd7 h GLU 665 Cb 1.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3cd7 h GLU 665 CO 0.09 0.57 -0.99 -0.22 -1.00 0.00 0.00 179.01 177.46 3cd7 h LYS 666 N 0.33 0.00 -0.29 2.33 3.64 -1.54 -2.49 116.57 118.54 3cd7 h LYS 666 Ca 0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3cd7 h LYS 666 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3cd7 h LYS 666 CO 0.04 0.90 -0.24 0.00 -2.27 0.00 0.00 179.45 177.88 3cd7 h ALA 667 N 1.06 1.04 0.00 5.00 0.00 -0.90 -2.31 119.26 123.16 3cd7 h ALA 667 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3cd7 h ALA 667 Cb 1.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3cd7 h ALA 667 CO 0.12 0.58 -0.73 -0.07 0.00 0.00 0.00 179.25 179.15 3cd7 h LEU 668 N 0.49 0.00 -0.86 0.00 3.38 -1.30 -2.03 115.31 114.99 3cd7 h LEU 668 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3cd7 h LEU 668 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3cd7 h LEU 668 CO 0.05 0.73 0.27 -1.28 0.09 0.00 0.00 178.44 178.30 3cd7 h SER 669 N 0.00 1.02 -0.24 -0.43 0.87 -1.27 -0.98 113.55 112.52 3cd7 h SER 669 Ca -0.01 -0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.22 3cd7 h SER 669 Cb 1.50 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3cd7 h SER 669 CO 0.10 0.93 -0.48 0.50 -0.53 0.00 0.00 176.83 177.34 3cd7 h LYS 670 N 1.07 0.82 -0.11 2.24 1.63 -1.29 -3.05 116.57 117.88 3cd7 h LYS 670 Ca 0.24 -0.48 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 3cd7 h LYS 670 Cb 0.24 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3cd7 h LYS 670 CO -0.02 1.11 -0.28 1.25 -3.45 0.00 0.00 179.45 178.07 3cd7 h LEU 671 N 0.65 0.19 -1.22 5.20 5.85 -1.21 -2.69 115.31 122.08 3cd7 h LEU 671 Ca 0.03 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3cd7 h LEU 671 Cb 1.07 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3cd7 h LEU 671 CO 0.11 0.47 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.65 3cd7 h HIS 672 N 0.18 0.00 -0.40 1.25 2.76 -1.08 -1.67 115.15 116.19 3cd7 h HIS 672 Ca 0.03 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3cd7 h HIS 672 Cb 0.59 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 3cd7 h HIS 672 CO 0.01 0.29 -0.06 0.93 -1.30 0.00 0.00 177.93 177.79 3cd7 h GLU 673 N 0.00 0.67 0.00 5.26 5.08 -1.38 -2.34 114.58 121.87 3cd7 h GLU 673 Ca -0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3cd7 h GLU 673 Cb 0.72 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3cd7 h GLU 673 CO 0.04 0.74 -0.65 1.88 -1.00 0.00 0.00 179.01 180.01 3cd7 h TYR 674 N 0.62 0.00 -2.17 4.33 -1.99 -1.54 -3.41 116.97 112.82 3cd7 h TYR 674 Ca 0.12 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.28 3cd7 h TYR 674 Cb 0.49 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 38.84 3cd7 h TYR 674 CO 0.02 0.07 -1.02 1.19 -0.00 0.00 0.00 178.16 178.42 3cd7 n PHE 675 N -2.87 -0.81 0.38 4.88 3.01 -0.66 -5.00 117.46 116.39 3cd7 n PHE 675 Ca 0.01 -3.35 0.11 0.00 1.01 0.00 0.00 57.45 55.23 3cd7 n PHE 675 Cb 0.57 0.07 0.48 0.00 -0.01 0.00 0.00 39.48 40.59 3cd7 n PHE 675 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3cd7 n PRO 676 N 2.29 0.17 0.06 -1.08 -0.04 -0.89 -2.21 135.00 133.30 3cd7 n PRO 676 Ca 0.26 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3cd7 n PRO 676 Cb 0.50 -1.84 0.21 0.00 -0.04 0.00 0.00 33.50 32.33 3cd7 n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3cd7 n GLU 677 N -2.17 0.28 -1.69 0.54 1.02 -1.26 -4.88 120.64 112.48 3cd7 n GLU 677 Ca 0.02 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 3cd7 n GLU 677 Cb 0.20 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 3cd7 n GLU 677 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3cd7 n MET 678 N -2.11 2.07 -4.92 3.49 1.56 -0.94 -4.59 117.12 111.68 3cd7 n MET 678 Ca 0.04 0.73 -0.33 0.00 -0.27 0.00 0.00 57.70 57.87 3cd7 n MET 678 Cb 0.43 -2.32 -0.13 0.00 2.15 0.00 0.00 33.22 33.35 3cd7 n MET 678 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 3cd7 s GLN 679 N -1.45 2.48 -0.59 2.12 0.74 0.65 -4.98 119.66 118.63 3cd7 s GLN 679 Ca 0.59 -0.71 -0.18 0.00 0.05 0.00 0.00 55.36 55.11 3cd7 s GLN 679 Cb -0.60 -2.35 0.12 0.00 1.10 0.00 0.00 33.01 31.28 3cd7 s GLN 679 CO 0.59 0.62 0.64 0.42 -0.55 0.00 0.00 175.29 177.01 3cd7 s ILE 680 N -0.72 4.99 0.03 -2.34 1.01 -1.26 -0.60 121.20 122.31 3cd7 s ILE 680 Ca 0.11 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 3cd7 s ILE 680 Cb -0.11 -4.44 -0.17 0.00 0.01 0.00 0.00 42.46 37.75 3cd7 s ILE 680 CO 0.00 -1.04 1.34 0.25 0.00 0.00 0.00 174.94 175.50 3cd7 h LEU 681 N 9.50 -0.40 -7.33 2.97 6.46 -1.70 -3.46 115.31 121.36 3cd7 h LEU 681 Ca -0.27 -0.12 -0.13 0.00 -0.12 0.00 0.00 57.88 57.24 3cd7 h LEU 681 Cb 1.09 0.10 -0.25 0.00 -0.73 0.00 0.00 40.66 40.87 3cd7 h LEU 681 CO 1.06 -0.09 -0.29 0.00 -0.62 0.00 0.00 178.44 178.50 3cd7 s ALA 682 N -5.15 -0.93 0.55 1.25 0.00 -1.08 -5.02 121.76 111.37 3cd7 s ALA 682 Ca -0.15 1.14 0.23 0.00 0.00 0.00 0.00 51.96 53.18 3cd7 s ALA 682 Cb 0.03 -0.67 1.48 0.00 0.00 0.00 0.00 23.12 23.95 3cd7 s ALA 682 CO 0.57 -0.19 2.13 -0.24 0.00 0.00 0.00 175.76 178.03 3cd7 h VAL 683 N 4.80 0.75 -3.52 0.00 3.04 -1.88 -2.14 116.25 117.30 3cd7 h VAL 683 Ca -0.29 0.00 -0.65 0.00 -1.01 0.00 0.00 66.70 64.74 3cd7 h VAL 683 Cb 1.18 0.92 -0.36 0.00 -2.01 0.00 0.00 31.29 31.02 3cd7 h VAL 683 CO 0.28 0.00 -0.82 -0.55 -1.01 0.00 0.00 177.57 175.47 3cd7 s SER 684 N -6.49 3.79 -0.36 3.17 0.15 -1.26 -2.93 113.70 109.78 3cd7 s SER 684 Ca -0.05 -1.05 0.08 0.00 0.70 0.00 0.00 55.95 55.63 3cd7 s SER 684 Cb 0.17 -1.44 0.70 0.00 -1.71 0.00 0.00 66.02 63.74 3cd7 s SER 684 CO 0.63 -0.13 1.81 0.61 1.20 0.00 0.00 173.24 177.37 3cd7 n GLY 685 N 4.56 4.05 2.55 9.45 0.00 -0.15 -4.75 105.19 120.90 3cd7 n GLY 685 Ca -0.16 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 3cd7 n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cd7 n ASN 686 N -0.58 -4.86 -0.80 1.61 4.13 -1.25 -4.80 115.26 108.72 3cd7 n ASN 686 Ca 0.46 0.16 0.11 0.00 1.68 0.00 0.00 54.58 56.99 3cd7 n ASN 686 Cb 1.45 -2.94 0.30 0.00 -1.54 0.00 0.00 39.78 37.04 3cd7 n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cd7 n TYR 687 N -2.45 0.36 0.13 3.10 9.36 -1.21 -4.61 117.16 121.83 3cd7 n TYR 687 Ca -0.07 -0.18 -0.13 0.00 3.32 0.00 0.00 57.90 60.84 3cd7 n TYR 687 Cb 0.39 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.02 3cd7 n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cd7 s THR 689 N -4.70 4.21 -0.28 0.00 2.01 -1.26 -4.72 115.64 110.89 3cd7 s THR 689 Ca -0.14 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 3cd7 s THR 689 Cb 0.02 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 3cd7 s THR 689 CO 0.57 0.51 0.12 -0.62 -0.69 0.00 0.00 174.62 174.51 3cd7 s ASP 690 N 0.06 5.40 -0.67 3.53 2.15 -1.26 -4.60 116.67 121.28 3cd7 s ASP 690 Ca 0.02 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.69 3cd7 s ASP 690 Cb -0.13 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 3cd7 s ASP 690 CO 0.02 -0.10 0.00 0.29 -0.17 0.00 0.00 175.17 175.21 3cd7 n LYS 691 N 4.96 -0.79 -4.20 4.34 5.02 -1.26 -5.00 118.16 121.23 3cd7 n LYS 691 Ca -0.15 0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 56.58 3cd7 n LYS 691 Cb 0.51 -4.47 -0.12 0.00 -0.02 0.00 0.00 35.03 30.93 3cd7 n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cd7 s LYS 692 N -2.14 0.83 0.24 1.97 3.01 -1.26 -4.91 119.74 117.47 3cd7 s LYS 692 Ca 0.00 -0.92 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 3cd7 s LYS 692 Cb 0.00 -0.84 -0.10 0.00 -1.01 0.00 0.00 37.83 35.88 3cd7 s LYS 692 CO 0.00 0.19 1.49 -1.25 0.51 0.00 0.00 175.35 176.29 3cd7 s PRO 693 N -1.65 4.24 -0.28 -1.68 0.04 -1.26 -4.73 135.00 129.67 3cd7 s PRO 693 Ca -0.01 2.35 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 3cd7 s PRO 693 Cb -0.10 -3.11 0.10 0.00 0.04 0.00 0.00 34.50 31.44 3cd7 s PRO 693 CO 0.02 -0.49 0.74 0.00 0.04 0.00 0.00 177.00 177.32 3cd7 s ALA 694 N 0.22 -1.98 0.45 8.56 0.00 -1.26 -5.02 121.76 122.73 3cd7 s ALA 694 Ca 0.62 2.38 0.16 0.00 0.00 0.00 0.00 51.96 55.12 3cd7 s ALA 694 Cb -0.43 -1.52 1.10 0.00 0.00 0.00 0.00 23.12 22.27 3cd7 s ALA 694 CO 0.42 -0.44 1.97 0.00 0.00 0.00 0.00 175.76 177.71 3cd7 h ALA 695 N 6.94 2.11 -0.59 0.00 0.00 -1.94 -2.71 119.26 123.06 3cd7 h ALA 695 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cd7 h ALA 695 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3cd7 h ALA 695 CO 0.16 -0.26 0.35 0.97 0.00 0.00 0.00 179.25 180.47 3cd7 h ILE 696 N 0.33 1.17 -0.47 0.00 2.10 -1.97 -1.28 117.51 117.40 3cd7 h ILE 696 Ca 0.29 -0.39 -0.13 0.00 1.08 0.00 0.00 64.86 65.71 3cd7 h ILE 696 Cb 0.67 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.73 3cd7 h ILE 696 CO -0.07 0.18 -0.23 0.78 -1.08 0.00 0.00 178.15 177.73 3cd7 h ASN 697 N 0.82 0.99 -0.22 2.19 2.35 -1.75 0.15 115.58 120.10 3cd7 h ASN 697 Ca 0.21 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3cd7 h ASN 697 Cb -0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3cd7 h ASN 697 CO -0.04 1.17 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.61 3cd7 h TRP 698 N 0.83 0.59 0.04 1.19 2.91 -1.36 0.49 115.95 120.63 3cd7 h TRP 698 Ca 0.11 -0.07 -0.36 0.00 1.13 0.00 0.00 58.89 59.69 3cd7 h TRP 698 Cb 0.80 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.24 3cd7 h TRP 698 CO 0.05 0.60 -2.06 -0.89 -1.03 0.00 0.00 178.44 175.11 3cd7 n ILE 699 N -4.24 1.60 0.07 2.65 5.41 -0.57 -4.42 119.36 119.85 3cd7 n ILE 699 Ca 0.01 -0.42 0.11 0.00 1.00 0.00 0.00 62.75 63.45 3cd7 n ILE 699 Cb 0.28 -1.77 -0.05 0.00 -0.71 0.00 0.00 39.64 37.40 3cd7 n ILE 699 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3cd7 n GLU 700 N -3.83 0.62 0.00 0.38 -0.58 0.03 -5.09 120.64 112.17 3cd7 n GLU 700 Ca -0.41 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 3cd7 n GLU 700 Cb 0.91 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 3cd7 n GLU 700 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cd7 n GLY 701 N 1.21 -1.40 3.63 0.62 0.00 0.16 -5.03 105.19 104.39 3cd7 n GLY 701 Ca -0.02 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 3cd7 n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cd7 s ARG 702 N -2.89 0.63 7.76 1.61 3.52 -1.15 -4.68 118.95 123.74 3cd7 s ARG 702 Ca 0.00 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3cd7 s ARG 702 Cb 0.00 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3cd7 s ARG 702 CO 0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 3cd7 n GLY 703 N 4.62 2.69 3.55 8.12 0.00 -0.44 -3.13 105.19 120.59 3cd7 n GLY 703 Ca -0.17 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3cd7 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd7 s LYS 704 N 0.00 3.82 -0.26 1.61 -0.14 0.77 -0.74 119.74 124.80 3cd7 s LYS 704 Ca 0.00 -0.42 -0.10 0.00 -1.36 0.00 0.00 55.97 54.09 3cd7 s LYS 704 Cb 0.00 -3.22 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 3cd7 s LYS 704 CO 0.00 0.10 0.16 -1.12 -0.76 0.00 0.00 175.35 173.73 3cd7 s SER 705 N 0.82 5.93 0.04 2.83 0.01 -0.40 -0.80 113.70 122.14 3cd7 s SER 705 Ca 0.03 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.34 3cd7 s SER 705 Cb -0.14 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 3cd7 s SER 705 CO 0.02 0.01 -0.10 -0.69 0.41 0.00 0.00 173.24 172.89 3cd7 s VAL 706 N 1.40 0.78 -0.02 3.43 1.01 -0.41 0.61 120.40 127.20 3cd7 s VAL 706 Ca 0.07 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3cd7 s VAL 706 Cb -0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3cd7 s VAL 706 CO 0.07 -0.13 -0.16 0.54 0.00 0.00 0.00 175.10 175.41 3cd7 s VAL 707 N -0.95 1.32 0.08 2.92 0.11 -0.83 -0.86 120.40 122.20 3cd7 s VAL 707 Ca -0.03 -0.70 0.06 0.00 -2.93 0.00 0.00 61.98 58.38 3cd7 s VAL 707 Cb -0.08 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 3cd7 s VAL 707 CO 0.01 0.38 -0.15 0.00 -3.33 0.00 0.00 175.10 172.00 3cd7 s GLU 709 N -1.86 0.85 0.20 0.00 -1.05 -0.21 -1.08 118.70 115.54 3cd7 s GLU 709 Ca 0.00 -0.47 -0.14 0.00 -0.15 0.00 0.00 54.97 54.22 3cd7 s GLU 709 Cb -0.09 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 3cd7 s GLU 709 CO 0.03 -0.28 0.44 0.00 0.95 0.00 0.00 175.26 176.39 3cd7 s ALA 710 N -2.57 -0.48 -0.17 -0.84 0.00 -0.25 -1.42 121.76 116.04 3cd7 s ALA 710 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3cd7 s ALA 710 Cb -0.01 0.90 0.02 0.00 0.00 0.00 0.00 23.12 24.04 3cd7 s ALA 710 CO -0.03 -0.77 -0.17 0.08 0.00 0.00 0.00 175.76 174.87 3cd7 s VAL 711 N -3.94 1.86 -0.30 0.00 1.01 -1.26 -1.19 120.40 116.58 3cd7 s VAL 711 Ca 0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3cd7 s VAL 711 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3cd7 s VAL 711 CO 0.01 0.48 0.19 -0.63 0.00 0.00 0.00 175.10 175.15 3cd7 s ILE 712 N 1.36 5.10 0.62 2.22 -1.09 0.11 -4.66 121.20 124.87 3cd7 s ILE 712 Ca 0.04 -0.08 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 3cd7 s ILE 712 Cb -0.13 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 3cd7 s ILE 712 CO -0.12 0.15 1.01 -2.65 -1.23 0.00 0.00 174.94 172.10 3cd7 n PRO 713 N 5.05 0.87 -0.34 2.79 -0.02 -1.26 -1.14 135.00 140.95 3cd7 n PRO 713 Ca -0.14 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 3cd7 n PRO 713 Cb 0.51 -2.23 0.25 0.00 -0.02 0.00 0.00 33.50 32.01 3cd7 n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cd7 h ALA 714 N 0.39 1.47 -0.86 3.55 0.00 -1.93 -1.50 119.26 120.38 3cd7 h ALA 714 Ca -0.49 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3cd7 h ALA 714 Cb 1.36 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3cd7 h ALA 714 CO 0.51 0.09 0.56 -0.22 0.00 0.00 0.00 179.25 180.19 3cd7 h LYS 715 N 0.85 1.14 -0.31 0.00 3.64 -1.90 -1.09 116.57 118.90 3cd7 h LYS 715 Ca 0.50 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.66 3cd7 h LYS 715 Cb 0.60 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3cd7 h LYS 715 CO -0.31 0.76 -0.39 0.28 -2.27 0.00 0.00 179.45 177.52 3cd7 h VAL 716 N 1.17 1.29 -0.87 2.00 2.07 -1.66 -1.26 116.25 118.97 3cd7 h VAL 716 Ca 0.31 -1.57 0.08 0.00 0.82 0.00 0.00 66.70 66.34 3cd7 h VAL 716 Cb -0.12 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3cd7 h VAL 716 CO -0.07 0.51 0.57 0.58 0.02 0.00 0.00 177.57 179.18 3cd7 h VAL 717 N 0.57 1.02 -0.03 2.57 2.07 -1.05 -0.89 116.25 120.50 3cd7 h VAL 717 Ca 0.04 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3cd7 h VAL 717 Cb 0.98 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3cd7 h VAL 717 CO 0.09 0.17 -0.19 0.03 0.02 0.00 0.00 177.57 177.69 3cd7 h ARG 718 N 0.93 0.19 0.14 1.57 3.08 -1.02 -2.00 114.38 117.27 3cd7 h ARG 718 Ca 0.39 -0.16 -0.34 0.00 0.07 0.00 0.00 59.98 59.95 3cd7 h ARG 718 Cb 0.30 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3cd7 h ARG 718 CO -0.15 0.82 -1.74 0.93 -1.07 0.00 0.00 179.97 178.76 3cd7 h GLU 719 N -0.39 0.29 0.05 0.04 5.08 -1.04 -2.39 114.58 116.22 3cd7 h GLU 719 Ca -0.01 -0.49 -0.24 0.00 -1.00 0.00 0.00 59.36 57.61 3cd7 h GLU 719 Cb 0.86 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3cd7 h GLU 719 CO 0.04 1.16 -1.29 0.28 -1.00 0.00 0.00 179.01 178.20 3cd7 h VAL 720 N 0.08 0.98 -0.01 3.13 2.07 -1.37 -3.41 116.25 117.73 3cd7 h VAL 720 Ca -0.33 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 64.91 3cd7 h VAL 720 Cb 2.05 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 34.33 3cd7 h VAL 720 CO 0.14 0.53 -0.50 0.18 0.02 0.00 0.00 177.57 177.95 3cd7 n LEU 721 N -4.17 1.47 -1.81 2.57 4.77 -1.09 -4.99 117.00 113.75 3cd7 n LEU 721 Ca -0.28 -0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 55.00 3cd7 n LEU 721 Cb 0.78 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 3cd7 n LEU 721 CO 0.30 0.29 -0.21 0.29 -1.33 0.00 0.00 177.39 176.72 3cd7 n LYS 722 N -0.54 -1.39 -1.06 3.23 4.76 -0.78 -4.71 118.16 117.67 3cd7 n LYS 722 Ca 0.09 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.53 3cd7 n LYS 722 Cb 0.40 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 3cd7 n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cd7 n THR 723 N -3.35 0.00 -4.45 -0.18 5.66 -1.06 -4.87 114.28 106.02 3cd7 n THR 723 Ca -0.20 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.54 3cd7 n THR 723 Cb 0.64 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 3cd7 n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cd7 s THR 724 N -1.89 2.46 0.20 1.09 -4.23 -1.26 -3.52 115.64 108.50 3cd7 s THR 724 Ca 0.00 -2.14 -0.09 0.00 -1.18 0.00 0.00 61.69 58.28 3cd7 s THR 724 Cb 0.00 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.32 3cd7 s THR 724 CO 0.00 -0.24 1.75 0.74 -0.54 0.00 0.00 174.62 176.33 3cd7 h THR 725 N 1.98 1.26 -0.38 3.99 2.02 -1.92 -2.27 112.91 117.58 3cd7 h THR 725 Ca -0.42 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 65.91 3cd7 h THR 725 Cb 1.25 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3cd7 h THR 725 CO 0.67 0.34 0.24 -0.08 0.37 0.00 0.00 175.52 177.06 3cd7 h GLU 726 N 1.09 0.47 -0.44 6.66 4.81 -1.89 -2.18 114.58 123.10 3cd7 h GLU 726 Ca 0.24 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3cd7 h GLU 726 Cb 0.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3cd7 h GLU 726 CO -0.01 0.31 0.08 0.00 -0.73 0.00 0.00 179.01 178.66 3cd7 h ALA 727 N 1.16 0.58 -0.42 2.92 0.00 -1.94 -2.53 119.26 119.02 3cd7 h ALA 727 Ca 0.15 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3cd7 h ALA 727 Cb -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3cd7 h ALA 727 CO -0.05 0.29 0.13 0.52 0.00 0.00 0.00 179.25 180.13 3cd7 h MET 728 N 0.58 0.28 -0.48 0.00 2.86 -1.30 -1.83 114.93 115.03 3cd7 h MET 728 Ca 0.13 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3cd7 h MET 728 Cb 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3cd7 h MET 728 CO 0.01 0.18 0.14 0.82 1.06 0.00 0.00 176.91 179.12 3cd7 h ILE 729 N 0.28 1.23 -0.75 -1.22 2.04 -1.27 -0.16 117.51 117.66 3cd7 h ILE 729 Ca 0.20 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3cd7 h ILE 729 Cb 0.21 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3cd7 h ILE 729 CO -0.22 0.28 0.40 -0.08 0.00 0.00 0.00 178.15 178.53 3cd7 h GLU 730 N 0.65 1.06 -0.18 2.37 4.81 -1.24 -0.28 114.58 121.77 3cd7 h GLU 730 Ca 0.15 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3cd7 h GLU 730 Cb 0.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3cd7 h GLU 730 CO -0.00 0.80 -0.05 0.28 -0.73 0.00 0.00 179.01 179.30 3cd7 h VAL 731 N 1.05 1.29 -0.81 0.32 2.07 -1.12 -2.62 116.25 116.43 3cd7 h VAL 731 Ca 0.26 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3cd7 h VAL 731 Cb 0.06 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3cd7 h VAL 731 CO -0.04 0.31 0.45 -1.13 0.02 0.00 0.00 177.57 177.18 3cd7 h ASN 732 N 0.07 1.01 -0.04 0.57 -1.24 -0.74 0.58 115.58 115.79 3cd7 h ASN 732 Ca 0.05 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 3cd7 h ASN 732 Cb 0.51 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 3cd7 h ASN 732 CO 0.02 0.81 0.00 0.40 -1.29 0.00 0.00 177.43 177.38 3cd7 h ILE 733 N 1.12 1.23 0.00 2.57 2.04 -1.07 -1.03 117.51 122.37 3cd7 h ILE 733 Ca 0.29 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3cd7 h ILE 733 Cb 0.02 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3cd7 h ILE 733 CO -0.05 0.19 -0.32 0.78 0.00 0.00 0.00 178.15 178.75 3cd7 h ASN 734 N -0.20 0.00 0.00 1.72 2.35 -1.30 0.88 115.58 119.03 3cd7 h ASN 734 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cd7 h ASN 734 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3cd7 h ASN 734 CO 0.00 0.01 -0.52 1.17 -1.65 0.00 0.00 177.43 176.44 3cd7 n LYS 735 N -2.84 0.35 0.17 0.81 4.81 0.18 -1.86 118.16 119.78 3cd7 n LYS 735 Ca 0.03 0.31 0.05 0.00 -0.87 0.00 0.00 58.31 57.83 3cd7 n LYS 735 Cb 0.52 -1.30 0.18 0.00 0.02 0.00 0.00 35.03 34.45 3cd7 n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3cd7 h ASN 736 N -0.71 0.00 0.00 3.14 2.35 -1.33 -2.60 115.58 116.42 3cd7 h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cd7 h ASN 736 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3cd7 h ASN 736 CO 0.00 0.40 -0.67 0.18 -1.65 0.00 0.00 177.43 175.70 3cd7 n LEU 737 N -3.31 1.40 -0.10 1.61 4.77 -0.98 -4.14 117.00 116.25 3cd7 n LEU 737 Ca 0.01 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 3cd7 n LEU 737 Cb 0.62 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3cd7 n LEU 737 CO 0.38 -0.37 0.48 0.58 -1.33 0.00 0.00 177.39 177.13 3cd7 h VAL 738 N -0.67 1.27 -0.10 4.08 2.07 -0.99 -2.02 116.25 119.90 3cd7 h VAL 738 Ca 0.00 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3cd7 h VAL 738 Cb 0.67 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3cd7 h VAL 738 CO 0.00 0.55 -0.02 1.23 0.02 0.00 0.00 177.57 179.35 3cd7 h GLY 739 N 0.70 0.20 1.51 2.17 0.00 -1.04 -1.37 103.07 105.23 3cd7 h GLY 739 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3cd7 h GLY 739 CO 0.11 0.15 0.31 1.76 0.00 0.00 0.00 176.54 178.87 3cd7 h SER 740 N -0.12 0.58 -0.44 0.19 0.02 -1.50 -1.93 113.55 110.35 3cd7 h SER 740 Ca 0.03 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3cd7 h SER 740 Cb 0.41 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3cd7 h SER 740 CO 0.01 0.43 0.06 0.00 -1.14 0.00 0.00 176.83 176.19 3cd7 h ALA 741 N 1.67 0.58 0.00 3.77 0.00 -1.03 -0.76 119.26 123.49 3cd7 h ALA 741 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3cd7 h ALA 741 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3cd7 h ALA 741 CO -0.04 0.31 -0.24 0.52 0.00 0.00 0.00 179.25 179.81 3cd7 h MET 742 N 0.58 0.00 -0.00 0.00 2.86 -0.90 -2.36 114.93 115.12 3cd7 h MET 742 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3cd7 h MET 742 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3cd7 h MET 742 CO 0.01 0.24 -0.11 0.00 1.06 0.00 0.00 176.91 178.11 3cd7 n ALA 743 N -2.26 2.69 -2.61 6.32 0.00 -0.76 -4.95 120.51 118.93 3cd7 n ALA 743 Ca -0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 3cd7 n ALA 743 Cb 0.40 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.51 3cd7 n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cd7 n GLY 744 N 1.38 0.13 3.80 0.00 0.00 -0.89 -5.03 105.19 104.58 3cd7 n GLY 744 Ca 0.11 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3cd7 n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cd7 s SER 745 N -3.53 7.20 -0.31 1.61 0.15 -0.34 -5.04 113.70 113.44 3cd7 s SER 745 Ca 0.02 1.48 -0.02 0.00 0.70 0.00 0.00 55.95 58.13 3cd7 s SER 745 Cb -0.01 -2.44 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 3cd7 s SER 745 CO 0.30 0.17 0.02 -0.63 1.20 0.00 0.00 173.24 174.30 3cd7 s ILE 746 N -1.26 3.03 0.00 6.45 -1.09 -1.26 -4.70 121.20 122.36 3cd7 s ILE 746 Ca 0.36 -1.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 3cd7 s ILE 746 Cb -0.20 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3cd7 s ILE 746 CO 0.23 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 3cd7 n GLY 747 N 4.62 0.67 2.38 6.18 0.00 -1.26 -4.93 105.19 112.85 3cd7 n GLY 747 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3cd7 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 748 N -2.62 6.03 2.62 -0.02 0.00 -1.26 -1.78 105.19 108.15 3cd7 n GLY 748 Ca 0.00 -2.60 -0.37 0.00 0.00 0.00 0.00 46.02 43.06 3cd7 n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cd7 n TYR 749 N -0.65 2.43 -4.02 1.61 4.02 -0.75 -4.84 117.16 114.97 3cd7 n TYR 749 Ca 0.48 -2.40 -0.10 0.00 -0.01 0.00 0.00 57.90 55.87 3cd7 n TYR 749 Cb 0.69 -1.42 -0.06 0.00 -0.02 0.00 0.00 39.34 38.52 3cd7 n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cd7 s ASN 750 N -0.34 -0.04 -0.13 7.72 2.20 -1.22 -1.09 114.94 122.04 3cd7 s ASN 750 Ca 0.52 -0.98 -0.07 0.00 -0.94 0.00 0.00 52.86 51.39 3cd7 s ASN 750 Cb 0.30 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 40.05 3cd7 s ASN 750 CO -0.21 -1.06 -0.04 0.00 -2.94 0.00 0.00 177.10 172.85 3cd7 h ALA 751 N 2.35 0.01 -0.35 3.54 0.00 -1.93 -3.46 119.26 119.41 3cd7 h ALA 751 Ca -0.28 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.04 3cd7 h ALA 751 Cb 1.25 0.27 -0.24 0.00 0.00 0.00 0.00 17.79 19.07 3cd7 h ALA 751 CO 0.40 0.27 -0.66 -2.39 0.00 0.00 0.00 179.25 176.87 3cd7 n HIS 752 N -4.68 -1.07 -0.27 0.00 1.44 -1.26 -4.95 115.22 104.43 3cd7 n HIS 752 Ca -0.05 -2.21 0.06 0.00 -2.01 0.00 0.00 57.72 53.51 3cd7 n HIS 752 Cb 0.18 0.86 0.20 0.00 0.12 0.00 0.00 29.99 31.35 3cd7 n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cd7 h ALA 753 N 2.29 1.14 -0.50 1.59 0.00 -1.88 -1.66 119.26 120.24 3cd7 h ALA 753 Ca -0.23 0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.93 3cd7 h ALA 753 Cb 1.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3cd7 h ALA 753 CO 0.12 -0.17 0.36 0.00 0.00 0.00 0.00 179.25 179.55 3cd7 h ALA 754 N 1.55 2.40 -0.39 0.00 0.00 -1.93 -0.53 119.26 120.37 3cd7 h ALA 754 Ca 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 3cd7 h ALA 754 Cb 0.64 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3cd7 h ALA 754 CO -0.39 -0.54 0.17 -0.91 0.00 0.00 0.00 179.25 177.58 3cd7 h ASN 755 N 0.05 0.53 -0.03 0.00 2.35 -1.71 -1.91 115.58 114.86 3cd7 h ASN 755 Ca 0.24 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3cd7 h ASN 755 Cb 0.88 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3cd7 h ASN 755 CO -0.01 0.54 -0.22 0.40 -1.65 0.00 0.00 177.43 176.48 3cd7 h ILE 756 N 0.49 1.48 -0.90 2.81 5.03 -1.31 -2.45 117.51 122.65 3cd7 h ILE 756 Ca 0.13 -1.73 0.09 0.00 -0.12 0.00 0.00 64.86 63.23 3cd7 h ILE 756 Cb 0.16 2.50 -0.07 0.00 -3.03 0.00 0.00 36.82 36.38 3cd7 h ILE 756 CO -0.01 0.48 0.55 0.58 -0.68 0.00 0.00 178.15 179.07 3cd7 h VAL 757 N -0.37 0.95 -0.13 1.67 2.07 -1.20 -1.68 116.25 117.56 3cd7 h VAL 757 Ca -0.02 -0.32 -0.23 0.00 0.82 0.00 0.00 66.70 66.96 3cd7 h VAL 757 Cb 0.90 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3cd7 h VAL 757 CO 0.05 0.17 -0.82 0.74 0.02 0.00 0.00 177.57 177.73 3cd7 h THR 758 N 0.92 1.28 -0.39 2.57 2.02 -1.37 -1.57 112.91 116.36 3cd7 h THR 758 Ca 0.43 -2.01 -0.10 0.00 0.77 0.00 0.00 66.41 65.50 3cd7 h THR 758 Cb 0.35 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3cd7 h THR 758 CO -0.23 0.64 -0.14 0.00 0.37 0.00 0.00 175.52 176.16 3cd7 h ALA 759 N 0.54 0.54 -0.38 6.16 0.00 -1.18 -2.13 119.26 122.81 3cd7 h ALA 759 Ca -0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3cd7 h ALA 759 Cb 1.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3cd7 h ALA 759 CO 0.17 0.45 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 3cd7 h ILE 760 N 0.59 1.27 -0.54 0.00 2.04 -1.34 -0.67 117.51 118.86 3cd7 h ILE 760 Ca 0.09 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3cd7 h ILE 760 Cb 0.68 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3cd7 h ILE 760 CO 0.05 0.38 0.32 1.88 0.00 0.00 0.00 178.15 180.77 3cd7 h TYR 761 N 0.53 0.73 -0.60 1.37 -1.99 -1.24 -0.41 116.97 115.36 3cd7 h TYR 761 Ca 0.10 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.72 3cd7 h TYR 761 Cb 0.58 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3cd7 h TYR 761 CO 0.05 0.52 -0.00 0.82 -0.00 0.00 0.00 178.16 179.54 3cd7 h ILE 762 N 0.73 1.27 0.00 -2.88 2.04 -1.39 -0.78 117.51 116.49 3cd7 h ILE 762 Ca 0.19 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 3cd7 h ILE 762 Cb 0.01 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3cd7 h ILE 762 CO -0.03 0.42 -0.37 0.00 0.00 0.00 0.00 178.15 178.16 3cd7 h ALA 763 N 0.98 1.38 -0.28 1.87 0.00 -1.09 -3.31 119.26 118.81 3cd7 h ALA 763 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3cd7 h ALA 763 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cd7 h ALA 763 CO 0.03 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3cd7 n GLY 765 N -0.36 0.94 3.90 0.00 0.00 -1.04 -4.58 105.19 104.05 3cd7 n GLY 765 Ca 0.21 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3cd7 n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cd7 s GLN 766 N -2.47 1.55 -0.62 1.61 -1.52 -0.33 -2.41 119.66 115.48 3cd7 s GLN 766 Ca 0.00 -0.02 -0.23 0.00 -1.95 0.00 0.00 55.36 53.16 3cd7 s GLN 766 Cb 0.00 -1.92 0.06 0.00 -0.22 0.00 0.00 33.01 30.94 3cd7 s GLN 766 CO 0.00 -1.86 0.93 0.34 -0.25 0.00 0.00 175.29 174.46 3cd7 s ASP 767 N -4.64 6.22 0.57 5.90 -1.08 -1.26 -4.73 116.67 117.66 3cd7 s ASP 767 Ca 0.65 -0.81 0.33 0.00 -0.52 0.00 0.00 52.55 52.21 3cd7 s ASP 767 Cb -0.09 -2.41 1.71 0.00 -1.46 0.00 0.00 42.92 40.66 3cd7 s ASP 767 CO 0.50 -1.34 2.14 0.00 0.52 0.00 0.00 175.17 177.00 3cd7 h ALA 768 N 9.45 1.17 0.00 3.66 0.00 -1.94 -1.33 119.26 130.27 3cd7 h ALA 768 Ca -0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3cd7 h ALA 768 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3cd7 h ALA 768 CO 1.14 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 180.37 3cd7 h ALA 769 N 1.94 1.11 0.00 0.00 0.00 -2.01 -1.80 119.26 118.50 3cd7 h ALA 769 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cd7 h ALA 769 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cd7 h ALA 769 CO 0.01 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.41 3cd7 n GLN 770 N -3.36 0.82 0.26 0.00 6.02 -0.50 -2.87 117.38 117.76 3cd7 n GLN 770 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3cd7 n GLN 770 Cb 0.27 -1.26 0.73 0.00 1.02 0.00 0.00 30.24 31.00 3cd7 n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3cd7 h ASN 771 N 0.00 0.00 -0.09 1.08 -1.24 -1.49 -0.73 115.58 113.10 3cd7 h ASN 771 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 3cd7 h ASN 771 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 3cd7 h ASN 771 CO 0.00 0.08 -0.41 0.58 -1.29 0.00 0.00 177.43 176.39 3cd7 h VAL 772 N 0.00 0.00 0.02 2.57 2.07 -1.77 -2.36 116.25 116.78 3cd7 h VAL 772 Ca -0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 3cd7 h VAL 772 Cb 0.19 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 3cd7 h VAL 772 CO 0.01 0.00 -1.38 1.23 0.02 0.00 0.00 177.57 177.45 3cd7 h GLY 773 N -0.45 0.06 2.00 2.17 0.00 -1.83 -3.37 103.07 101.65 3cd7 h GLY 773 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3cd7 h GLY 773 CO -0.33 0.13 -0.22 1.76 0.00 0.00 0.00 176.54 177.88 3cd7 h SER 774 N 0.01 0.00 0.61 0.19 0.02 -1.09 -2.41 113.55 110.88 3cd7 h SER 774 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3cd7 h SER 774 Cb 1.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.45 3cd7 h SER 774 CO 0.12 0.22 0.00 -1.20 -1.14 0.00 0.00 176.83 174.83 3cd7 n SER 775 N -3.84 0.22 -4.67 3.07 7.64 -0.89 -4.51 113.62 110.64 3cd7 n SER 775 Ca -0.02 0.55 -0.56 0.00 1.01 0.00 0.00 58.87 59.86 3cd7 n SER 775 Cb 0.32 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 3cd7 n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cd7 n ASN 776 N -1.74 2.05 -3.63 6.43 3.02 -0.91 -4.57 115.26 115.90 3cd7 n ASN 776 Ca 0.03 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.57 3cd7 n ASN 776 Cb 0.20 -1.14 -0.07 0.00 -0.61 0.00 0.00 39.78 38.16 3cd7 n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cd7 s ILE 778 N 0.91 3.02 -0.26 0.00 2.07 -0.64 -1.81 121.20 124.50 3cd7 s ILE 778 Ca -0.04 -0.66 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 3cd7 s ILE 778 Cb -0.05 -2.29 0.01 0.00 0.13 0.00 0.00 42.46 40.27 3cd7 s ILE 778 CO -0.08 0.51 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.56 3cd7 s THR 779 N 0.58 3.36 -0.06 4.00 2.01 -0.25 -1.49 115.64 123.79 3cd7 s THR 779 Ca -0.08 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3cd7 s THR 779 Cb -0.16 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3cd7 s THR 779 CO 0.03 0.21 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.29 3cd7 s LEU 780 N 1.42 2.88 -0.03 4.42 1.43 -0.18 -4.88 118.68 123.73 3cd7 s LEU 780 Ca 0.02 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3cd7 s LEU 780 Cb -0.16 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3cd7 s LEU 780 CO -0.02 0.35 -0.04 -0.04 0.23 0.00 0.00 176.35 176.83 3cd7 s MET 781 N -0.74 0.68 0.18 1.70 -1.94 -1.26 -1.22 119.30 116.70 3cd7 s MET 781 Ca 0.11 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.96 3cd7 s MET 781 Cb -0.11 -0.71 -0.03 0.00 2.01 0.00 0.00 34.83 35.99 3cd7 s MET 781 CO 0.01 -0.05 0.18 -1.83 -0.01 0.00 0.00 175.02 173.31 3cd7 s GLU 782 N 0.74 1.16 0.51 2.03 -1.05 -0.61 -4.86 118.70 116.61 3cd7 s GLU 782 Ca -0.09 -1.46 -0.19 0.00 -0.15 0.00 0.00 54.97 53.08 3cd7 s GLU 782 Cb -0.12 0.30 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 3cd7 s GLU 782 CO -0.00 -0.39 1.03 0.00 0.95 0.00 0.00 175.26 176.85 3cd7 s ALA 783 N -4.08 2.87 0.08 -0.84 0.00 -1.26 -1.09 121.76 117.43 3cd7 s ALA 783 Ca 0.29 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3cd7 s ALA 783 Cb 0.06 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 3cd7 s ALA 783 CO 0.07 -0.38 0.18 0.45 0.00 0.00 0.00 175.76 176.08 3cd7 s SER 784 N -2.22 0.13 0.00 0.00 0.15 0.11 -4.68 113.70 107.18 3cd7 s SER 784 Ca 0.66 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3cd7 s SER 784 Cb -0.15 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3cd7 s SER 784 CO 0.24 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.59 3cd7 n GLY 785 N 0.06 -0.65 0.26 9.45 0.00 -1.26 -1.97 105.19 111.07 3cd7 n GLY 785 Ca -0.16 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.15 3cd7 n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cd7 h PRO 786 N 0.00 0.26 0.00 1.61 0.11 -2.00 -2.97 132.00 129.00 3cd7 h PRO 786 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3cd7 h PRO 786 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3cd7 h PRO 786 CO 0.00 0.31 -0.23 0.25 -0.21 0.00 0.00 178.00 178.12 3cd7 n THR 787 N -4.36 1.83 -2.89 -1.15 -2.24 -1.26 -5.00 114.28 99.21 3cd7 n THR 787 Ca -0.00 -2.43 -0.21 0.00 -2.27 0.00 0.00 64.05 59.13 3cd7 n THR 787 Cb 0.20 -0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3cd7 n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cd7 n ASN 788 N -1.18 -5.48 -0.00 3.42 3.02 -1.13 -4.87 115.26 109.04 3cd7 n ASN 788 Ca 0.16 -0.20 0.07 0.00 -0.03 0.00 0.00 54.58 54.58 3cd7 n ASN 788 Cb 0.68 -4.48 -0.09 0.00 -0.61 0.00 0.00 39.78 35.28 3cd7 n ASN 788 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cd7 n GLU 789 N -3.65 1.97 -3.41 3.52 1.02 -1.11 -4.46 120.64 114.52 3cd7 n GLU 789 Ca -0.13 -0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.61 3cd7 n GLU 789 Cb 0.62 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.79 3cd7 n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cd7 s ASP 790 N -2.62 6.85 -0.40 1.62 1.01 -0.83 -3.84 116.67 118.46 3cd7 s ASP 790 Ca 0.03 1.05 -0.20 0.00 0.71 0.00 0.00 52.55 54.14 3cd7 s ASP 790 Cb 0.10 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3cd7 s ASP 790 CO 0.57 0.22 0.61 -0.22 0.21 0.00 0.00 175.17 176.56 3cd7 s LEU 791 N -1.50 4.43 0.00 1.23 2.96 -0.29 0.04 118.68 125.55 3cd7 s LEU 791 Ca 0.31 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 3cd7 s LEU 791 Cb -0.16 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 3cd7 s LEU 791 CO 0.17 -0.67 0.94 -0.47 -1.32 0.00 0.00 176.35 175.00 3cd7 s TYR 792 N 2.68 3.66 -0.01 5.38 5.04 -0.25 -0.71 117.35 133.14 3cd7 s TYR 792 Ca 0.22 1.64 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 3cd7 s TYR 792 Cb -0.15 -3.07 -0.00 0.00 0.35 0.00 0.00 41.96 39.10 3cd7 s TYR 792 CO 0.17 0.03 -0.10 -1.50 -1.34 0.00 0.00 175.55 172.81 3cd7 s ILE 793 N 0.87 0.79 0.01 3.14 2.07 -0.33 -1.58 121.20 126.17 3cd7 s ILE 793 Ca 0.49 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 3cd7 s ILE 793 Cb -0.21 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 3cd7 s ILE 793 CO 0.27 0.23 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.56 3cd7 s SER 794 N -0.07 0.24 -0.09 4.50 1.04 -0.36 -1.09 113.70 117.87 3cd7 s SER 794 Ca 0.01 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.15 3cd7 s SER 794 Cb -0.06 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.12 3cd7 s SER 794 CO -0.00 -0.17 -0.19 0.00 0.98 0.00 0.00 173.24 173.86 3cd7 s THR 796 N 0.57 2.48 -0.34 0.00 2.01 -0.56 -1.02 115.64 118.79 3cd7 s THR 796 Ca -0.15 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3cd7 s THR 796 Cb -0.17 -2.04 0.11 0.00 0.01 0.00 0.00 72.50 70.41 3cd7 s THR 796 CO 0.05 0.52 0.12 -0.04 -0.69 0.00 0.00 174.62 174.58 3cd7 s MET 797 N 0.87 0.96 0.06 4.92 -1.94 -0.04 -1.62 119.30 122.51 3cd7 s MET 797 Ca -0.05 -1.40 0.25 0.00 -1.71 0.00 0.00 55.69 52.78 3cd7 s MET 797 Cb -0.15 -2.28 1.01 0.00 2.01 0.00 0.00 34.83 35.42 3cd7 s MET 797 CO -0.02 -1.01 1.78 -2.30 -0.01 0.00 0.00 175.02 173.47 3cd7 n PRO 798 N 4.49 0.06 -3.18 2.03 -0.02 -1.26 -1.28 135.00 135.83 3cd7 n PRO 798 Ca 0.01 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.43 3cd7 n PRO 798 Cb 0.41 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3cd7 n PRO 798 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cd7 n SER 799 N -1.69 0.91 -4.60 2.55 3.41 -1.24 -2.93 113.62 110.03 3cd7 n SER 799 Ca 0.06 -3.02 -0.43 0.00 -0.26 0.00 0.00 58.87 55.22 3cd7 n SER 799 Cb 0.31 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3cd7 n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cd7 s ILE 800 N -2.43 4.54 -0.40 -1.33 1.01 0.02 -3.22 121.20 119.38 3cd7 s ILE 800 Ca 0.40 1.20 -0.12 0.00 0.00 0.00 0.00 60.65 62.13 3cd7 s ILE 800 Cb 0.34 -4.37 0.04 0.00 0.01 0.00 0.00 42.46 38.48 3cd7 s ILE 800 CO -0.08 -0.60 0.26 -1.61 0.00 0.00 0.00 174.94 172.91 3cd7 s GLU 801 N 3.59 2.83 0.08 2.79 2.02 -1.26 -0.16 118.70 128.59 3cd7 s GLU 801 Ca 0.39 -1.17 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 3cd7 s GLU 801 Cb -0.11 -3.84 0.04 0.00 0.10 0.00 0.00 34.13 30.31 3cd7 s GLU 801 CO 0.20 -0.80 0.44 -1.50 0.02 0.00 0.00 175.26 173.63 3cd7 s ILE 802 N 1.57 0.05 -0.09 -1.63 2.07 -1.26 -4.88 121.20 117.03 3cd7 s ILE 802 Ca 0.03 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.55 3cd7 s ILE 802 Cb -0.20 -1.03 0.11 0.00 0.13 0.00 0.00 42.46 41.47 3cd7 s ILE 802 CO 0.07 -0.23 0.93 -0.83 -1.91 0.00 0.00 174.94 172.96 3cd7 s GLY 803 N -2.30 -0.38 0.00 1.50 0.00 -1.26 -3.92 107.32 100.97 3cd7 s GLY 803 Ca -0.02 1.55 0.08 0.00 0.00 0.00 0.00 44.72 46.33 3cd7 s GLY 803 CO -0.06 0.74 0.92 -1.30 0.00 0.00 0.00 173.10 173.40 3cd7 n THR 804 N 0.34 0.39 -4.27 0.90 -2.24 0.24 -4.83 114.28 104.81 3cd7 n THR 804 Ca -0.10 -0.70 -0.17 0.00 -2.27 0.00 0.00 64.05 60.81 3cd7 n THR 804 Cb 0.59 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 3cd7 n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cd7 s VAL 805 N -0.80 0.63 0.00 2.28 1.01 -1.23 -2.27 120.40 120.02 3cd7 s VAL 805 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3cd7 s VAL 805 Cb 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3cd7 s VAL 805 CO 0.11 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3cd7 n GLY 806 N 2.67 0.01 7.00 4.51 0.00 -1.26 -4.21 105.19 113.91 3cd7 n GLY 806 Ca -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3cd7 n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 807 N 0.15 3.04 0.32 -0.02 0.00 -1.26 -2.36 105.19 105.06 3cd7 n GLY 807 Ca 0.00 -0.29 0.21 0.00 0.00 0.00 0.00 46.02 45.94 3cd7 n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cd7 h GLY 808 N 0.00 0.00 1.25 -0.02 0.00 -1.86 -2.13 103.07 100.32 3cd7 h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cd7 h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3cd7 n THR 809 N -3.14 0.21 0.91 4.70 -2.24 -0.99 -2.34 114.28 111.39 3cd7 n THR 809 Ca -0.02 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 3cd7 n THR 809 Cb 0.14 -0.76 0.47 0.00 -2.10 0.00 0.00 70.33 68.08 3cd7 n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cd7 n ASN 810 N -1.13 0.29 -4.82 3.42 3.02 -0.80 -4.55 115.26 110.69 3cd7 n ASN 810 Ca 0.11 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.61 3cd7 n ASN 810 Cb 0.10 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 3cd7 n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cd7 s LEU 811 N -3.32 4.41 0.14 3.41 1.43 -0.99 -5.00 118.68 118.77 3cd7 s LEU 811 Ca 0.12 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.39 3cd7 s LEU 811 Cb 0.17 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3cd7 s LEU 811 CO 0.59 0.14 1.45 -0.07 0.23 0.00 0.00 176.35 178.69 3cd7 h LEU 812 N 3.85 0.96 -0.67 1.79 3.38 -1.89 -1.00 115.31 121.73 3cd7 h LEU 812 Ca -0.49 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 3cd7 h LEU 812 Cb 1.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3cd7 h LEU 812 CO 0.65 1.27 0.30 -0.65 0.09 0.00 0.00 178.44 180.10 3cd7 h PRO 813 N 0.70 0.99 -0.91 1.13 0.11 -1.96 -0.64 132.00 131.42 3cd7 h PRO 813 Ca 0.04 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.00 3cd7 h PRO 813 Cb 1.06 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 3cd7 h PRO 813 CO 0.11 0.80 0.60 1.96 -0.21 0.00 0.00 178.00 181.26 3cd7 h GLN 814 N 0.94 1.20 0.00 1.05 7.50 -1.75 -1.34 115.11 122.72 3cd7 h GLN 814 Ca 0.23 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 59.25 3cd7 h GLN 814 Cb 0.16 -0.27 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 3cd7 h GLN 814 CO -0.02 0.80 -0.27 1.96 -1.50 0.00 0.00 178.83 179.79 3cd7 h GLN 815 N 1.24 0.00 -0.69 1.46 4.20 -0.76 -2.59 115.11 117.96 3cd7 h GLN 815 Ca 0.33 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.98 3cd7 h GLN 815 Cb -0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3cd7 h GLN 815 CO -0.07 0.27 0.18 0.00 -0.67 0.00 0.00 178.83 178.54 3cd7 h ALA 816 N 1.73 0.91 -0.15 3.87 0.00 0.06 -0.74 119.26 124.94 3cd7 h ALA 816 Ca -0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3cd7 h ALA 816 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cd7 h ALA 816 CO 0.04 0.63 -0.63 0.00 0.00 0.00 0.00 179.25 179.28 3cd7 h LEU 818 N 0.40 0.87 -1.06 0.00 3.38 -1.30 -2.92 115.31 114.67 3cd7 h LEU 818 Ca -0.01 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3cd7 h LEU 818 Cb 1.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3cd7 h LEU 818 CO 0.12 0.82 -0.31 1.56 0.09 0.00 0.00 178.44 180.71 3cd7 h GLN 819 N 0.91 0.27 -0.97 1.13 4.20 -0.87 -2.22 115.11 117.56 3cd7 h GLN 819 Ca 0.21 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 58.91 3cd7 h GLN 819 Cb 0.25 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 3cd7 h GLN 819 CO -0.01 0.56 0.61 0.52 -0.67 0.00 0.00 178.83 179.84 3cd7 h MET 820 N 0.24 0.98 -0.00 1.46 2.86 -1.20 -1.78 114.93 117.49 3cd7 h MET 820 Ca 0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3cd7 h MET 820 Cb 0.68 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3cd7 h MET 820 CO 0.05 0.65 -0.19 1.28 1.06 0.00 0.00 176.91 179.76 3cd7 n LEU 821 N -4.61 0.29 -0.33 1.22 4.77 -0.94 -4.63 117.00 112.77 3cd7 n LEU 821 Ca 0.17 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 3cd7 n LEU 821 Cb 0.30 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3cd7 n LEU 821 CO 0.28 0.06 -0.04 0.61 -1.33 0.00 0.00 177.39 176.98 3cd7 n GLY 822 N 1.43 0.52 0.01 -0.72 0.00 -0.67 -4.93 105.19 100.83 3cd7 n GLY 822 Ca 0.09 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.28 3cd7 n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cd7 n VAL 823 N -3.26 1.18 -2.20 1.61 0.24 -0.88 -5.02 118.33 110.01 3cd7 n VAL 823 Ca -0.04 -1.26 -0.41 0.00 -2.04 0.00 0.00 64.34 60.59 3cd7 n VAL 823 Cb 0.26 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 3cd7 n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3cd7 s GLN 824 N -1.39 4.40 2.02 7.34 -0.44 -1.21 -4.75 119.66 125.64 3cd7 s GLN 824 Ca 0.07 2.10 0.00 0.00 -2.50 0.00 0.00 55.36 55.03 3cd7 s GLN 824 Cb 0.06 -3.14 0.00 0.00 -1.64 0.00 0.00 33.01 28.29 3cd7 s GLN 824 CO 0.01 -0.17 0.00 0.41 0.50 0.00 0.00 175.29 176.04 3cd7 n GLY 825 N 1.56 -1.10 3.73 2.59 0.00 -0.96 -4.81 105.19 106.20 3cd7 n GLY 825 Ca 0.03 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3cd7 n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 826 N -1.25 3.42 -0.47 4.61 0.00 -1.26 -4.54 121.76 122.27 3cd7 s ALA 826 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 3cd7 s ALA 826 Cb 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.35 3cd7 s ALA 826 CO 0.00 -0.01 1.18 0.00 0.00 0.00 0.00 175.76 176.93 3cd7 h LYS 828 N 9.41 0.53 -0.66 0.00 2.10 -1.99 -2.98 116.57 122.98 3cd7 h LYS 828 Ca -0.24 -0.42 -0.05 0.00 -2.00 0.00 0.00 60.65 57.95 3cd7 h LYS 828 Cb 1.07 0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 3cd7 h LYS 828 CO 1.12 1.05 0.23 -0.44 -2.00 0.00 0.00 179.45 179.41 3cd7 h ASP 829 N 0.13 0.91 -2.21 7.07 3.32 -2.06 -3.39 116.42 120.19 3cd7 h ASP 829 Ca -0.03 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.34 3cd7 h ASP 829 Cb 1.14 -0.24 -0.35 0.00 0.22 0.00 0.00 39.33 40.10 3cd7 h ASP 829 CO 0.10 0.84 -0.91 0.21 -1.72 0.00 0.00 179.24 177.76 3cd7 s ASN 830 N -6.48 1.18 0.19 6.45 2.47 -1.24 -5.12 114.94 112.38 3cd7 s ASN 830 Ca -0.11 -2.82 -0.33 0.00 0.42 0.00 0.00 52.86 50.02 3cd7 s ASN 830 Cb 0.16 -0.14 -0.13 0.00 -1.45 0.00 0.00 41.25 39.68 3cd7 s ASN 830 CO 0.82 -0.17 1.56 -2.65 -3.72 0.00 0.00 177.10 172.93 3cd7 n PRO 831 N 2.97 2.23 0.00 0.43 -0.02 -1.12 -1.72 135.00 137.77 3cd7 n PRO 831 Ca 0.27 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3cd7 n PRO 831 Cb 0.48 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3cd7 n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cd7 n GLY 832 N 3.12 1.28 0.22 -1.23 0.00 -1.25 -4.84 105.19 102.49 3cd7 n GLY 832 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3cd7 n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cd7 h GLU 833 N 3.37 0.43 -0.23 1.61 4.57 -1.65 -1.41 114.58 121.27 3cd7 h GLU 833 Ca 0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 3cd7 h GLU 833 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3cd7 h GLU 833 CO 0.00 0.72 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.54 3cd7 h ASN 834 N 0.37 0.47 -0.29 1.04 2.35 -1.89 -0.23 115.58 117.41 3cd7 h ASN 834 Ca 0.04 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.33 3cd7 h ASN 834 Cb 0.77 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3cd7 h ASN 834 CO 0.06 0.77 -0.03 0.00 -1.65 0.00 0.00 177.43 176.58 3cd7 h ALA 835 N 0.72 1.21 -0.41 -0.83 0.00 -1.80 -0.13 119.26 118.03 3cd7 h ALA 835 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3cd7 h ALA 835 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3cd7 h ALA 835 CO 0.03 0.52 0.10 0.00 0.00 0.00 0.00 179.25 179.90 3cd7 h ARG 836 N 0.60 0.66 -0.67 0.00 3.08 -1.18 -1.54 114.38 115.33 3cd7 h ARG 836 Ca 0.12 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3cd7 h ARG 836 Cb 0.43 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3cd7 h ARG 836 CO 0.02 0.68 0.24 0.37 -1.07 0.00 0.00 179.97 180.21 3cd7 h GLN 837 N 0.53 1.00 -0.27 0.04 5.75 -0.71 -1.90 115.11 119.55 3cd7 h GLN 837 Ca 0.13 -0.18 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 3cd7 h GLN 837 Cb 0.31 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3cd7 h GLN 837 CO 0.00 0.84 -0.37 1.25 -2.65 0.00 0.00 178.83 177.90 3cd7 h LEU 838 N 0.98 0.63 -0.54 -2.39 5.85 -0.83 -1.69 115.31 117.33 3cd7 h LEU 838 Ca 0.22 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3cd7 h LEU 838 Cb 0.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3cd7 h LEU 838 CO -0.02 0.94 0.32 0.00 -0.34 0.00 0.00 178.44 179.34 3cd7 h ALA 839 N 1.09 0.69 -0.68 1.25 0.00 -1.06 -1.94 119.26 118.61 3cd7 h ALA 839 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3cd7 h ALA 839 Cb 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3cd7 h ALA 839 CO 0.07 0.18 0.28 0.00 0.00 0.00 0.00 179.25 179.78 3cd7 h ARG 840 N 0.72 1.00 -0.74 0.00 3.08 -1.01 -1.66 114.38 115.78 3cd7 h ARG 840 Ca 0.19 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3cd7 h ARG 840 Cb -0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3cd7 h ARG 840 CO -0.04 0.83 0.30 0.82 -1.07 0.00 0.00 179.97 180.82 3cd7 h ILE 841 N 0.95 1.25 -0.36 2.04 2.04 -1.18 -0.26 117.51 122.00 3cd7 h ILE 841 Ca 0.23 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3cd7 h ILE 841 Cb 0.19 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3cd7 h ILE 841 CO -0.02 0.31 0.03 0.58 0.00 0.00 0.00 178.15 179.05 3cd7 h VAL 842 N 1.06 1.25 -0.62 1.67 2.07 -0.97 -0.21 116.25 120.50 3cd7 h VAL 842 Ca 0.25 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3cd7 h VAL 842 Cb 0.19 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3cd7 h VAL 842 CO -0.02 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.98 3cd7 h GLY 844 N 0.92 1.07 1.47 0.00 0.00 -0.98 -1.72 103.07 103.83 3cd7 h GLY 844 Ca 0.19 -0.80 -0.16 0.00 0.00 0.00 0.00 47.33 46.56 3cd7 h GLY 844 CO 0.01 0.74 -0.54 -0.84 0.00 0.00 0.00 176.54 175.90 3cd7 h THR 845 N 0.90 1.32 -0.57 4.70 2.02 -0.90 -1.85 112.91 118.53 3cd7 h THR 845 Ca 0.16 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3cd7 h THR 845 Cb 0.58 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 3cd7 h THR 845 CO 0.03 0.56 0.36 0.58 0.37 0.00 0.00 175.52 177.42 3cd7 h VAL 846 N 0.43 1.16 -0.51 3.16 2.07 -0.91 -0.71 116.25 120.94 3cd7 h VAL 846 Ca 0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3cd7 h VAL 846 Cb 1.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3cd7 h VAL 846 CO 0.10 0.16 0.33 -0.03 0.02 0.00 0.00 177.57 178.15 3cd7 h MET 847 N 0.78 0.65 -0.74 1.57 -1.53 -1.11 0.17 114.93 114.71 3cd7 h MET 847 Ca 0.21 -0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.48 3cd7 h MET 847 Cb -0.05 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 30.80 3cd7 h MET 847 CO -0.04 0.43 0.45 0.00 0.14 0.00 0.00 176.91 177.89 3cd7 h ALA 848 N 1.20 0.99 -0.34 0.39 0.00 -1.01 0.02 119.26 120.51 3cd7 h ALA 848 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3cd7 h ALA 848 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3cd7 h ALA 848 CO -0.05 0.19 -0.15 0.78 0.00 0.00 0.00 179.25 180.02 3cd7 h GLY 849 N 0.85 0.65 1.35 0.00 0.00 -0.20 -2.65 103.07 103.08 3cd7 h GLY 849 Ca 0.31 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 3cd7 h GLY 849 CO -0.15 0.45 -0.42 0.83 0.00 0.00 0.00 176.54 177.26 3cd7 h GLU 850 N 0.55 0.71 0.01 4.80 4.39 0.08 -2.65 114.58 122.47 3cd7 h GLU 850 Ca 0.09 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.42 3cd7 h GLU 850 Cb 0.57 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3cd7 h GLU 850 CO 0.04 1.00 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.77 3cd7 h LEU 851 N 0.58 -0.13 -0.13 1.33 3.38 -0.79 -2.27 115.31 117.27 3cd7 h LEU 851 Ca 0.04 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3cd7 h LEU 851 Cb 0.96 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3cd7 h LEU 851 CO 0.09 -0.07 -0.24 -1.28 0.09 0.00 0.00 178.44 177.02 3cd7 h SER 852 N -0.09 0.45 -0.47 -0.43 0.87 -1.46 -2.24 113.55 110.17 3cd7 h SER 852 Ca 0.02 -0.55 -0.09 0.00 -1.23 0.00 0.00 61.79 59.94 3cd7 h SER 852 Cb 0.11 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3cd7 h SER 852 CO -0.04 0.91 -0.05 0.25 -0.53 0.00 0.00 176.83 177.37 3cd7 h LEU 853 N 0.00 0.85 -1.07 2.23 5.85 -1.54 -1.57 115.31 120.07 3cd7 h LEU 853 Ca 0.01 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3cd7 h LEU 853 Cb 0.83 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3cd7 h LEU 853 CO 0.05 0.98 0.27 0.24 -0.34 0.00 0.00 178.44 179.65 3cd7 h MET 854 N 0.70 0.93 -0.37 1.25 2.86 -1.42 0.18 114.93 119.06 3cd7 h MET 854 Ca 0.13 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 3cd7 h MET 854 Cb 0.57 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3cd7 h MET 854 CO 0.03 0.75 -0.31 0.00 1.06 0.00 0.00 176.91 178.44 3cd7 h ALA 855 N 1.38 0.75 -0.50 6.32 0.00 -1.23 -0.73 119.26 125.25 3cd7 h ALA 855 Ca 0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3cd7 h ALA 855 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3cd7 h ALA 855 CO -0.02 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.16 3cd7 h ALA 856 N 0.96 0.64 0.00 0.00 0.00 -0.85 -2.61 119.26 117.40 3cd7 h ALA 856 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3cd7 h ALA 856 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3cd7 h ALA 856 CO 0.08 0.16 -0.21 -0.07 0.00 0.00 0.00 179.25 179.21 3cd7 h LEU 857 N 0.67 0.00 -0.22 0.00 3.38 -0.76 -2.30 115.31 116.08 3cd7 h LEU 857 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3cd7 h LEU 857 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3cd7 h LEU 857 CO -0.03 0.21 -0.44 0.00 0.09 0.00 0.00 178.44 178.27 3cd7 h ALA 858 N 1.79 0.35 -0.10 1.53 0.00 -0.81 -3.36 119.26 118.66 3cd7 h ALA 858 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cd7 h ALA 858 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3cd7 h ALA 858 CO 0.03 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3cd7 n ALA 859 N -2.53 -0.10 0.00 0.00 0.00 -1.01 -5.04 120.51 111.82 3cd7 n ALA 859 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3cd7 n ALA 859 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3cd7 n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91