#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kta s SER 502 N 0.00 4.65 0.27 0.00 0.01 -1.26 -5.16 113.70 112.21 1kta s SER 502 Ca 0.00 -1.25 0.10 0.00 1.31 0.00 0.00 55.95 56.11 1kta s SER 502 Cb 0.00 0.52 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 1kta s SER 502 CO 0.00 -1.19 -0.17 -0.94 0.41 0.00 0.00 173.24 171.35 1kta s SER 503 N -4.35 3.31 0.00 2.44 1.04 -1.26 -4.63 113.70 110.25 1kta s SER 503 Ca 0.36 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1kta s SER 503 Cb -0.03 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1kta s SER 503 CO 0.23 -0.06 0.00 -0.24 0.98 0.00 0.00 173.24 174.15 1kta n SER 504 N -0.58 0.00 -1.94 7.02 2.88 -1.26 -5.05 113.62 114.69 1kta n SER 504 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1kta n SER 504 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1kta n SER 504 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1kta n PHE 505 N -0.22 -4.07 -4.39 0.66 7.35 -1.26 -3.98 117.46 111.55 1kta n PHE 505 Ca 0.00 2.32 -0.20 0.00 -0.76 0.00 0.00 57.45 58.81 1kta n PHE 505 Cb 0.00 -3.09 -0.10 0.00 0.35 0.00 0.00 39.48 36.64 1kta n PHE 505 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1kta s LYS 506 N -0.98 1.59 0.04 -4.13 3.01 -1.26 -4.75 119.74 113.25 1kta s LYS 506 Ca 0.00 -1.89 -0.08 0.00 -1.01 0.00 0.00 55.97 52.99 1kta s LYS 506 Cb 0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 37.83 36.32 1kta s LYS 506 CO 0.00 -0.31 1.07 0.00 0.51 0.00 0.00 175.35 176.62 1kta n ALA 507 N -0.61 -0.17 -1.88 5.17 0.00 -1.26 -3.98 120.51 117.76 1kta n ALA 507 Ca -0.01 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1kta n ALA 507 Cb 0.66 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.37 1kta n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kta s ALA 508 N -4.37 2.47 0.17 0.00 0.00 -1.26 -4.96 121.76 113.82 1kta s ALA 508 Ca -0.03 0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.09 1kta s ALA 508 Cb 0.03 -4.15 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 1kta s ALA 508 CO 0.17 -3.27 -0.16 0.16 0.00 0.00 0.00 175.76 172.66 1kta s ASP 509 N 7.89 3.92 0.00 0.00 3.84 -1.26 -4.86 116.67 126.20 1kta s ASP 509 Ca 0.82 -0.67 0.00 0.00 -0.00 0.00 0.00 52.55 52.70 1kta s ASP 509 Cb -0.20 -0.54 0.00 0.00 -1.38 0.00 0.00 42.92 40.80 1kta s ASP 509 CO 0.29 0.12 0.09 -0.11 -0.00 0.00 0.00 175.17 175.56 1kta n LEU 510 N 0.24 0.00 0.00 2.11 0.00 -0.85 -4.72 117.00 113.78 1kta n LEU 510 Ca -0.12 -0.09 0.07 0.00 0.00 0.00 0.00 56.01 55.88 1kta n LEU 510 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.95 1kta n LEU 510 CO 0.32 -0.19 -0.10 0.00 0.00 0.00 0.00 177.39 177.42 1kta n GLN 511 N 1.67 -1.08 -4.87 1.96 3.00 -1.26 -4.78 117.38 112.02 1kta n GLN 511 Ca 0.00 0.71 -0.30 0.00 -0.01 0.00 0.00 57.00 57.40 1kta n GLN 511 Cb 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 30.24 28.78 1kta n GLN 511 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1kta s LEU 512 N 0.00 2.26 -0.19 1.08 2.96 -1.26 -2.61 118.68 120.91 1kta s LEU 512 Ca 0.00 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1kta s LEU 512 Cb 0.00 -1.34 0.06 0.00 0.50 0.00 0.00 46.19 45.41 1kta s LEU 512 CO 0.00 0.26 0.01 -0.70 -1.32 0.00 0.00 176.35 174.61 1kta s GLU 513 N -1.26 0.83 0.45 1.98 2.12 -0.79 -4.99 118.70 117.04 1kta s GLU 513 Ca 0.12 -0.47 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 1kta s GLU 513 Cb -0.10 -2.09 -0.07 0.00 0.26 0.00 0.00 34.13 32.13 1kta s GLU 513 CO 0.03 -0.60 0.87 -1.64 -0.54 0.00 0.00 175.26 173.38 1kta s MET 514 N 1.79 3.87 0.57 4.30 -1.94 -1.26 -3.50 119.30 123.13 1kta s MET 514 Ca -0.01 0.70 -0.19 0.00 -1.71 0.00 0.00 55.69 54.49 1kta s MET 514 Cb -0.17 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 1kta s MET 514 CO -0.07 -0.14 1.14 -0.08 -0.01 0.00 0.00 175.02 175.86 1kta s THR 515 N -2.47 3.06 -1.56 2.05 -1.32 -1.26 -4.84 115.64 109.29 1kta s THR 515 Ca 0.55 0.63 0.17 0.00 -1.21 0.00 0.00 61.69 61.83 1kta s THR 515 Cb -0.10 -3.23 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1kta s THR 515 CO 0.31 -0.17 0.89 0.00 -2.21 0.00 0.00 174.62 173.43 1kta n GLN 516 N -1.54 1.62 -3.09 7.08 6.02 -1.26 -4.62 117.38 121.59 1kta n GLN 516 Ca 0.12 -0.86 -0.19 0.00 -0.01 0.00 0.00 57.00 56.06 1kta n GLN 516 Cb 0.51 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.43 1kta n GLN 516 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1kta n LYS 517 N -0.07 0.59 -1.68 -1.09 0.00 -1.26 -5.10 118.16 109.55 1kta n LYS 517 Ca 0.07 -2.74 -0.46 0.00 0.00 0.00 0.00 58.31 55.19 1kta n LYS 517 Cb 0.36 -1.40 -0.04 0.00 0.00 0.00 0.00 35.03 33.94 1kta n LYS 517 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1kta n PRO 518 N 1.97 2.33 -1.94 1.64 -0.02 -1.26 -4.94 135.00 132.78 1kta n PRO 518 Ca 0.20 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 62.20 1kta n PRO 518 Cb 0.54 -2.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1kta n PRO 518 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1kta s HIS 519 N 2.37 2.96 0.15 6.00 3.76 -1.26 -4.99 115.29 124.28 1kta s HIS 519 Ca 0.84 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.95 1kta s HIS 519 Cb -0.63 -3.01 -0.08 0.00 1.11 0.00 0.00 32.58 29.97 1kta s HIS 519 CO 0.42 -1.20 1.23 0.15 -0.85 0.00 0.00 174.74 174.49 1kta s LYS 520 N -4.21 4.45 0.45 1.40 -0.14 -1.26 -5.00 119.74 115.42 1kta s LYS 520 Ca 0.63 1.90 -0.16 0.00 -1.36 0.00 0.00 55.97 56.98 1kta s LYS 520 Cb -0.16 -3.26 -0.08 0.00 -1.68 0.00 0.00 37.83 32.64 1kta s LYS 520 CO 0.40 -0.19 0.90 0.15 -0.76 0.00 0.00 175.35 175.85 1kta s LYS 521 N 0.22 3.98 0.91 1.68 1.02 -1.26 -5.00 119.74 121.29 1kta s LYS 521 Ca 0.56 0.86 -0.16 0.00 0.02 0.00 0.00 55.97 57.25 1kta s LYS 521 Cb -0.33 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 1kta s LYS 521 CO 0.34 -0.11 -0.20 -2.30 -0.92 0.00 0.00 175.35 172.16 1kta n PRO 522 N -1.16 -0.06 -4.02 -1.68 -0.02 -1.26 -4.96 135.00 121.84 1kta n PRO 522 Ca 0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.26 1kta n PRO 522 Cb 0.54 -1.38 -0.05 0.00 -0.02 0.00 0.00 33.50 32.59 1kta n PRO 522 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1kta s GLY 523 N -1.39 1.82 -0.00 -1.23 0.00 -1.26 -5.05 107.32 100.21 1kta s GLY 523 Ca 0.50 -1.08 -0.38 0.00 0.00 0.00 0.00 44.72 43.75 1kta s GLY 523 CO 0.74 -1.08 1.33 -1.05 0.00 0.00 0.00 173.10 173.03 1kta n PRO 524 N -0.19 0.81 0.00 2.90 -0.02 -1.26 -3.19 135.00 134.05 1kta n PRO 524 Ca -0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1kta n PRO 524 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1kta n PRO 524 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kta n GLY 525 N 2.52 0.75 0.00 -1.23 0.00 -1.26 -4.79 105.19 101.17 1kta n GLY 525 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kta n GLY 525 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kta n GLU 526 N 0.00 0.00 0.00 1.61 -0.58 -1.19 -5.03 120.64 115.45 1kta n GLU 526 Ca 0.00 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1kta n GLU 526 Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1kta n GLU 526 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1kta n PRO 527 N -1.92 0.35 0.00 3.49 -0.04 -1.26 -4.98 135.00 130.64 1kta n PRO 527 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1kta n PRO 527 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1kta n PRO 527 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1kta n LEU 528 N 0.00 0.00 -4.87 1.53 -0.00 -1.26 -5.00 117.00 107.40 1kta n LEU 528 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1kta n LEU 528 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1kta n LEU 528 CO 0.00 0.00 0.32 -0.69 -0.00 0.00 0.00 177.39 177.02 1kta s VAL 529 N 0.00 4.84 0.31 1.47 1.01 -1.26 -4.52 120.40 122.24 1kta s VAL 529 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1kta s VAL 529 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1kta s VAL 529 CO 0.00 -0.23 1.48 0.12 0.00 0.00 0.00 175.10 176.47 1kta s PHE 530 N -2.02 2.83 -0.30 5.22 5.36 -1.26 -3.34 117.98 124.47 1kta s PHE 530 Ca 0.50 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1kta s PHE 530 Cb -0.11 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1kta s PHE 530 CO 0.23 -2.94 0.00 0.41 -1.46 0.00 0.00 175.22 171.46 1kta n GLY 531 N 1.57 0.55 0.01 13.12 0.00 -1.26 -4.88 105.19 114.30 1kta n GLY 531 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1kta n GLY 531 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kta n LYS 532 N -1.94 0.57 -4.77 1.61 4.76 -1.21 -4.96 118.16 112.22 1kta n LYS 532 Ca -0.03 -0.11 -0.33 0.00 -2.87 0.00 0.00 58.31 54.97 1kta n LYS 532 Cb 0.21 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 1kta n LYS 532 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1kta s THR 533 N -2.87 3.10 0.24 -0.18 2.01 -1.26 -5.06 115.64 111.63 1kta s THR 533 Ca -0.05 -0.65 0.11 0.00 0.31 0.00 0.00 61.69 61.41 1kta s THR 533 Cb 0.08 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1kta s THR 533 CO 0.56 0.53 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.50 1kta s PHE 534 N 0.21 2.41 0.67 4.92 0.40 -1.26 -3.96 117.98 121.36 1kta s PHE 534 Ca -0.08 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1kta s PHE 534 Cb -0.15 -1.10 0.15 0.00 0.51 0.00 0.00 43.02 42.42 1kta s PHE 534 CO 0.05 0.62 0.91 0.25 0.70 0.00 0.00 175.22 177.75 1kta n THR 535 N -0.36 0.00 0.10 0.64 -2.24 -0.78 -4.98 114.28 106.65 1kta n THR 535 Ca -0.08 -0.93 -0.04 0.00 -2.27 0.00 0.00 64.05 60.73 1kta n THR 535 Cb 0.58 -1.38 0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1kta n THR 535 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kta h ASP 536 N -0.98 0.20 -1.71 3.42 3.32 -1.95 -3.43 116.42 115.28 1kta h ASP 536 Ca -0.30 -0.12 -0.63 0.00 0.02 0.00 0.00 57.03 56.00 1kta h ASP 536 Cb 0.91 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.28 1kta h ASP 536 CO 0.25 0.78 -0.61 -1.00 -1.72 0.00 0.00 179.24 176.93 1kta s HIS 537 N -3.66 2.50 0.13 4.55 3.76 -1.26 -0.27 115.29 121.03 1kta s HIS 537 Ca -0.03 -0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 54.13 1kta s HIS 537 Cb 0.12 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1kta s HIS 537 CO 0.79 0.47 0.29 0.00 -0.85 0.00 0.00 174.74 175.44 1kta s MET 538 N -3.69 1.02 0.03 1.40 0.23 0.03 -4.57 119.30 113.76 1kta s MET 538 Ca 0.35 -0.96 0.03 0.00 -1.03 0.00 0.00 55.69 54.07 1kta s MET 538 Cb 0.09 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1kta s MET 538 CO 0.18 -0.37 0.01 -1.17 -2.03 0.00 0.00 175.02 171.64 1kta s LEU 539 N -2.88 3.52 -0.13 0.18 2.96 -0.61 -0.70 118.68 121.02 1kta s LEU 539 Ca 0.08 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1kta s LEU 539 Cb 0.03 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.65 1kta s LEU 539 CO -0.07 0.24 0.32 -0.32 -1.32 0.00 0.00 176.35 175.20 1kta s MET 540 N -1.86 0.34 -0.04 1.98 -2.45 -0.64 -0.88 119.30 115.76 1kta s MET 540 Ca 0.22 0.52 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 1kta s MET 540 Cb -0.12 0.08 0.03 0.00 1.25 0.00 0.00 34.83 36.08 1kta s MET 540 CO 0.14 -0.09 0.09 0.08 1.05 0.00 0.00 175.02 176.29 1kta s VAL 541 N 0.61 -0.05 0.04 10.11 1.01 0.16 -1.24 120.40 131.04 1kta s VAL 541 Ca -0.04 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1kta s VAL 541 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1kta s VAL 541 CO -0.04 0.07 0.07 -1.61 0.00 0.00 0.00 175.10 173.60 1kta s GLU 542 N 1.04 2.95 -0.01 2.72 2.02 -1.26 -0.47 118.70 125.69 1kta s GLU 542 Ca -0.08 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.34 1kta s GLU 542 Cb -0.11 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1kta s GLU 542 CO -0.04 0.60 -0.10 -0.46 0.02 0.00 0.00 175.26 175.28 1kta s TRP 543 N -1.28 0.93 0.00 1.61 -0.00 0.23 -0.03 118.94 120.39 1kta s TRP 543 Ca 0.26 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.18 1kta s TRP 543 Cb -0.12 -0.60 0.00 0.00 -0.00 0.00 0.00 33.47 32.75 1kta s TRP 543 CO 0.18 -0.02 0.00 0.27 -0.00 0.00 0.00 176.95 177.38 1kta n ASN 544 N 2.85 0.47 0.21 5.86 0.23 -0.03 -1.23 115.26 123.62 1kta n ASN 544 Ca -0.14 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 53.96 1kta n ASN 544 Cb 0.56 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.71 1kta n ASN 544 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1kta h ASP 545 N 0.00 0.00 -0.02 0.53 5.19 -2.01 0.44 116.42 120.55 1kta h ASP 545 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kta h ASP 545 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1kta h ASP 545 CO 0.00 0.27 0.00 0.29 -3.12 0.00 0.00 179.24 176.68 1kta n LYS 546 N -4.16 1.34 0.00 3.56 4.76 -1.26 -5.03 118.16 117.37 1kta n LYS 546 Ca -0.02 -0.49 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 1kta n LYS 546 Cb 0.32 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1kta n LYS 546 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kta n GLY 547 N 1.07 -0.40 3.72 0.72 0.00 0.14 -4.85 105.19 105.60 1kta n GLY 547 Ca 0.21 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1kta n GLY 547 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kta s TRP 548 N 0.00 3.73 0.10 1.61 0.52 -1.26 -0.85 118.94 122.79 1kta s TRP 548 Ca 0.00 1.72 -0.01 0.00 0.02 0.00 0.00 56.10 57.83 1kta s TRP 548 Cb 0.00 -3.12 0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1kta s TRP 548 CO 0.00 -0.03 0.14 0.41 0.02 0.00 0.00 176.95 177.49 1kta n GLY 549 N 2.46 -0.78 3.80 0.98 0.00 0.95 -4.75 105.19 107.85 1kta n GLY 549 Ca 0.04 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1kta n GLY 549 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kta s GLN 550 N -3.19 4.36 0.68 1.61 -0.21 -1.26 -4.73 119.66 116.93 1kta s GLN 550 Ca 0.08 0.96 -0.17 0.00 0.02 0.00 0.00 55.36 56.25 1kta s GLN 550 Cb -0.00 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.94 1kta s GLN 550 CO 0.06 0.50 1.23 -2.14 -2.12 0.00 0.00 175.29 172.82 1kta s PRO 551 N -1.53 2.42 -0.11 2.91 0.02 -1.26 -4.60 135.00 132.85 1kta s PRO 551 Ca 0.38 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 63.15 1kta s PRO 551 Cb -0.20 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.50 1kta s PRO 551 CO 0.23 -1.64 0.30 -0.98 -0.33 0.00 0.00 177.00 174.58 1kta s ARG 552 N -3.64 0.35 -0.24 5.54 1.70 -0.37 -2.00 118.95 120.28 1kta s ARG 552 Ca 0.77 0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 56.38 1kta s ARG 552 Cb -0.32 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 1kta s ARG 552 CO 0.41 -0.04 0.10 0.42 -1.08 0.00 0.00 175.30 175.10 1kta s ILE 553 N 0.18 4.63 0.19 4.99 1.01 -1.07 -1.62 121.20 129.51 1kta s ILE 553 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1kta s ILE 553 Cb -0.02 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1kta s ILE 553 CO 0.00 0.34 0.04 0.00 0.00 0.00 0.00 174.94 175.32 1kta s GLN 554 N 1.39 1.16 0.69 2.79 -2.07 0.13 -1.89 119.66 121.85 1kta s GLN 554 Ca 0.06 -1.58 -0.17 0.00 -1.82 0.00 0.00 55.36 51.85 1kta s GLN 554 Cb -0.15 -0.17 0.01 0.00 -1.09 0.00 0.00 33.01 31.61 1kta s GLN 554 CO 0.05 -0.20 1.21 -2.30 -1.32 0.00 0.00 175.29 172.73 1kta n PRO 555 N -0.27 0.82 -1.70 9.60 -0.02 -1.23 -0.79 135.00 141.41 1kta n PRO 555 Ca -0.04 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1kta n PRO 555 Cb 0.64 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1kta n PRO 555 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1kta s PHE 556 N -1.61 1.79 0.20 6.00 5.36 0.63 -4.57 117.98 125.78 1kta s PHE 556 Ca 0.79 -0.20 -0.13 0.00 -0.96 0.00 0.00 56.93 56.43 1kta s PHE 556 Cb -0.36 -4.20 0.00 0.00 -0.34 0.00 0.00 43.02 38.12 1kta s PHE 556 CO 0.44 -5.15 0.42 1.14 -1.46 0.00 0.00 175.22 170.61 1kta s GLN 557 N 3.46 1.36 0.68 10.12 -2.07 -1.26 -5.02 119.66 126.93 1kta s GLN 557 Ca 0.84 -1.12 -0.13 0.00 -1.82 0.00 0.00 55.36 53.13 1kta s GLN 557 Cb -0.44 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1kta s GLN 557 CO 0.38 -0.55 1.07 -0.80 -1.32 0.00 0.00 175.29 174.08 1kta s ASN 558 N -2.96 5.32 0.24 12.60 0.01 -1.26 -5.04 114.94 123.84 1kta s ASN 558 Ca 0.17 1.75 -0.09 0.00 -0.71 0.00 0.00 52.86 53.98 1kta s ASN 558 Cb 0.01 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 39.08 1kta s ASN 558 CO 0.03 -1.49 0.56 -0.76 -1.51 0.00 0.00 177.10 173.93 1kta s LEU 559 N -5.23 4.15 -0.27 0.60 1.43 -1.26 -5.08 118.68 113.01 1kta s LEU 559 Ca 0.61 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1kta s LEU 559 Cb -0.16 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1kta s LEU 559 CO 0.48 -0.10 -0.06 -0.89 0.23 0.00 0.00 176.35 176.02 1kta s THR 560 N -1.86 2.64 -0.02 5.49 2.01 -1.26 -5.11 115.64 117.53 1kta s THR 560 Ca 0.47 -1.39 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1kta s THR 560 Cb -0.11 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1kta s THR 560 CO 0.22 0.01 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.21 1kta s LEU 561 N 1.22 2.03 0.34 4.42 1.43 -1.26 -5.12 118.68 121.74 1kta s LEU 561 Ca -0.05 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1kta s LEU 561 Cb -0.19 -1.01 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 1kta s LEU 561 CO -0.04 0.23 1.41 -2.28 0.23 0.00 0.00 176.35 175.91 1kta s HIS 562 N -0.42 2.83 0.64 0.29 5.65 -1.26 -4.89 115.29 118.13 1kta s HIS 562 Ca 0.07 1.24 0.34 0.00 0.25 0.00 0.00 55.06 56.96 1kta s HIS 562 Cb -0.08 -3.86 1.89 0.00 -1.18 0.00 0.00 32.58 29.35 1kta s HIS 562 CO -0.00 -2.52 2.12 -1.35 -0.65 0.00 0.00 174.74 172.33 1kta h PRO 563 N 3.44 0.00 -0.43 2.88 0.11 -1.99 -0.54 132.00 135.47 1kta h PRO 563 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1kta h PRO 563 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kta h PRO 563 CO 0.67 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 1kta n ALA 564 N -2.09 2.43 -1.62 -0.75 0.00 -1.26 -4.95 120.51 112.27 1kta n ALA 564 Ca -0.01 -0.94 -0.61 0.00 0.00 0.00 0.00 53.44 51.88 1kta n ALA 564 Cb 0.27 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1kta n ALA 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kta n SER 565 N 1.22 0.84 0.27 0.00 2.88 -0.21 -3.78 113.62 114.84 1kta n SER 565 Ca 0.19 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 59.07 1kta n SER 565 Cb 0.53 -0.96 0.91 0.00 -0.75 0.00 0.00 64.21 63.93 1kta n SER 565 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1kta h SER 566 N 4.28 0.00 0.18 -3.46 4.64 -1.65 -1.35 113.55 116.19 1kta h SER 566 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1kta h SER 566 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1kta h SER 566 CO 0.81 0.00 -0.14 0.77 -0.87 0.00 0.00 176.83 177.40 1kta h SER 567 N 0.00 0.00 0.00 4.97 4.64 -1.67 -1.95 113.55 119.53 1kta h SER 567 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1kta h SER 567 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1kta h SER 567 CO -0.00 0.14 -1.75 0.18 -0.87 0.00 0.00 176.83 174.53 1kta n LEU 568 N -4.16 0.21 -0.11 5.97 4.77 -0.52 -3.89 117.00 119.27 1kta n LEU 568 Ca -0.02 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1kta n LEU 568 Cb 0.21 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1kta n LEU 568 CO 0.34 0.05 -1.25 1.41 -1.33 0.00 0.00 177.39 176.61 1kta n HIS 569 N -2.07 0.07 -1.60 -1.77 8.25 -1.16 -4.72 115.22 112.23 1kta n HIS 569 Ca -0.02 0.02 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1kta n HIS 569 Cb 0.50 -1.01 0.13 0.00 1.12 0.00 0.00 29.99 30.73 1kta n HIS 569 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1kta n TYR 570 N -3.10 0.00 -4.02 4.41 4.01 -0.74 -5.02 117.16 112.71 1kta n TYR 570 Ca -0.41 -0.95 -0.30 0.00 -0.16 0.00 0.00 57.90 56.08 1kta n TYR 570 Cb 1.05 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.90 1kta n TYR 570 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kta n SER 571 N -0.84 -2.27 -4.49 7.72 2.88 -1.20 -4.85 113.62 110.57 1kta n SER 571 Ca 0.13 -0.95 -0.44 0.00 -1.33 0.00 0.00 58.87 56.29 1kta n SER 571 Cb 0.74 -3.20 -0.01 0.00 -0.75 0.00 0.00 64.21 60.99 1kta n SER 571 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1kta s LEU 572 N -7.11 4.74 -0.21 2.46 1.43 -1.19 -4.78 118.68 114.01 1kta s LEU 572 Ca 0.38 -2.66 -0.20 0.00 -1.03 0.00 0.00 54.13 50.62 1kta s LEU 572 Cb -0.20 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.63 1kta s LEU 572 CO 0.88 -0.92 0.58 0.00 0.23 0.00 0.00 176.35 177.13 1kta s GLN 573 N 2.44 0.69 0.09 1.70 -2.07 -1.26 0.39 119.66 121.65 1kta s GLN 573 Ca 0.43 0.79 -0.08 0.00 -1.82 0.00 0.00 55.36 54.68 1kta s GLN 573 Cb -0.02 0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1kta s GLN 573 CO -0.01 -0.09 0.18 -0.48 -1.32 0.00 0.00 175.29 173.58 1kta s LEU 574 N 0.26 1.45 0.25 2.60 0.05 -0.53 -2.71 118.68 120.05 1kta s LEU 574 Ca -0.00 -0.70 -0.12 0.00 0.05 0.00 0.00 54.13 53.36 1kta s LEU 574 Cb -0.04 0.99 -0.01 0.00 -2.05 0.00 0.00 46.19 45.08 1kta s LEU 574 CO 0.01 -0.74 0.46 0.72 -0.55 0.00 0.00 176.35 176.25 1kta s PHE 575 N -3.88 0.45 0.26 3.48 -0.71 -0.84 -1.77 117.98 114.96 1kta s PHE 575 Ca 0.07 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 1kta s PHE 575 Cb 0.05 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 1kta s PHE 575 CO -0.10 -0.99 0.06 -1.21 -1.34 0.00 0.00 175.22 171.64 1kta s GLU 576 N -3.95 1.41 -0.16 1.99 0.41 -0.36 -4.76 118.70 113.29 1kta s GLU 576 Ca 0.24 -1.75 -0.07 0.00 -0.41 0.00 0.00 54.97 52.98 1kta s GLU 576 Cb -0.00 -0.45 0.07 0.00 -1.78 0.00 0.00 34.13 31.96 1kta s GLU 576 CO 0.10 -0.22 0.34 0.20 -0.49 0.00 0.00 175.26 175.20 1kta s GLY 577 N -3.33 -0.24 0.20 -1.39 0.00 -1.26 -3.71 107.32 97.58 1kta s GLY 577 Ca 0.34 1.26 -0.17 0.00 0.00 0.00 0.00 44.72 46.15 1kta s GLY 577 CO 0.12 1.91 0.52 -3.16 0.00 0.00 0.00 173.10 172.49 1kta s MET 578 N 2.03 1.39 0.10 2.90 0.23 -0.96 -4.96 119.30 120.03 1kta s MET 578 Ca -0.04 -0.88 0.09 0.00 -1.03 0.00 0.00 55.69 53.83 1kta s MET 578 Cb -0.11 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 1kta s MET 578 CO -0.11 -0.59 -0.23 0.15 -2.03 0.00 0.00 175.02 172.21 1kta s LYS 579 N -3.88 1.29 -0.07 3.16 1.02 -1.26 -0.44 119.74 119.56 1kta s LYS 579 Ca 0.10 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.90 1kta s LYS 579 Cb -0.01 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1kta s LYS 579 CO -0.02 0.38 -0.09 0.00 -0.92 0.00 0.00 175.35 174.70 1kta s ALA 580 N -1.07 2.86 0.01 5.17 0.00 -0.40 -2.42 121.76 125.92 1kta s ALA 580 Ca 0.09 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1kta s ALA 580 Cb -0.10 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 1kta s ALA 580 CO 0.04 0.52 -0.24 -0.06 0.00 0.00 0.00 175.76 176.02 1kta s PHE 581 N -0.61 2.10 -0.18 0.00 0.40 0.21 -1.67 117.98 118.23 1kta s PHE 581 Ca 0.09 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1kta s PHE 581 Cb -0.11 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1kta s PHE 581 CO 0.02 0.03 -0.18 0.21 0.70 0.00 0.00 175.22 176.00 1kta s LYS 582 N -0.85 3.06 -0.16 0.44 2.20 -1.26 0.13 119.74 123.30 1kta s LYS 582 Ca 0.09 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.85 1kta s LYS 582 Cb -0.09 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1kta s LYS 582 CO 0.00 -0.16 0.01 0.20 -0.36 0.00 0.00 175.35 175.04 1kta s GLY 583 N 1.20 1.82 0.24 5.54 0.00 -0.75 -4.59 107.32 110.78 1kta s GLY 583 Ca 0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1kta s GLY 583 CO -0.09 -0.09 0.76 1.17 0.00 0.00 0.00 173.10 174.85 1kta n LYS 584 N 3.33 0.63 0.00 2.90 3.00 -1.26 -1.14 118.16 125.61 1kta n LYS 584 Ca -0.17 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1kta n LYS 584 Cb 0.53 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.15 1kta n LYS 584 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1kta n ASP 585 N 1.65 0.00 -0.91 3.14 4.64 -1.26 -4.69 116.55 119.11 1kta n ASP 585 Ca 0.14 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.51 1kta n ASP 585 Cb 0.28 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.34 1kta n ASP 585 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kta n GLN 586 N 0.00 -1.30 -2.72 -0.67 6.02 -0.29 -4.92 117.38 113.49 1kta n GLN 586 Ca 0.00 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.85 1kta n GLN 586 Cb 0.00 -4.15 -0.03 0.00 1.02 0.00 0.00 30.24 27.07 1kta n GLN 586 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1kta s GLN 587 N -2.05 4.59 -0.14 -1.09 -0.21 -0.98 -4.82 119.66 114.95 1kta s GLN 587 Ca 0.00 1.41 -0.06 0.00 0.02 0.00 0.00 55.36 56.73 1kta s GLN 587 Cb 0.00 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 1kta s GLN 587 CO 0.00 0.01 0.07 0.08 -2.12 0.00 0.00 175.29 173.33 1kta s VAL 588 N 0.77 4.88 0.01 1.09 1.01 -1.26 -1.82 120.40 125.08 1kta s VAL 588 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1kta s VAL 588 Cb -0.21 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1kta s VAL 588 CO 0.28 0.54 -0.01 -0.13 0.00 0.00 0.00 175.10 175.78 1kta s ARG 589 N -0.30 0.11 -0.05 2.72 0.52 0.12 0.25 118.95 122.32 1kta s ARG 589 Ca 0.09 -0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 1kta s ARG 589 Cb -0.12 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 1kta s ARG 589 CO 0.02 -0.00 0.35 -0.51 0.02 0.00 0.00 175.30 175.17 1kta s LEU 590 N -0.38 4.42 -0.37 2.53 1.43 0.60 0.65 118.68 127.57 1kta s LEU 590 Ca -0.04 0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 53.64 1kta s LEU 590 Cb -0.03 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1kta s LEU 590 CO -0.00 0.30 0.76 0.12 0.23 0.00 0.00 176.35 177.76 1kta s PHE 591 N -0.82 3.11 -1.29 0.29 5.36 -1.01 -0.61 117.98 123.01 1kta s PHE 591 Ca 0.21 0.50 -0.04 0.00 -0.96 0.00 0.00 56.93 56.65 1kta s PHE 591 Cb -0.15 -3.38 0.01 0.00 -0.34 0.00 0.00 43.02 39.15 1kta s PHE 591 CO 0.10 -0.74 0.08 0.54 -1.46 0.00 0.00 175.22 173.74 1kta n ARG 592 N 6.39 -0.86 0.08 10.12 1.74 0.65 -4.77 116.66 130.00 1kta n ARG 592 Ca 0.02 0.06 0.18 0.00 -0.77 0.00 0.00 57.85 57.35 1kta n ARG 592 Cb 0.48 -2.92 0.72 0.00 -1.02 0.00 0.00 32.46 29.73 1kta n ARG 592 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1kta h PRO 593 N -1.45 0.00 -0.83 5.56 0.13 -1.81 -2.43 132.00 131.16 1kta h PRO 593 Ca -0.57 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1kta h PRO 593 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1kta h PRO 593 CO 0.59 0.00 0.54 -1.49 -0.23 0.00 0.00 178.00 177.41 1kta h TRP 594 N 0.00 0.97 -0.33 1.56 6.55 -1.95 -1.31 115.95 121.44 1kta h TRP 594 Ca 0.18 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.97 1kta h TRP 594 Cb 0.81 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 1kta h TRP 594 CO 0.00 0.55 -0.14 -0.07 -1.05 0.00 0.00 178.44 177.73 1kta h LEU 595 N 0.99 0.57 -0.86 -4.49 3.38 -1.81 -0.36 115.31 112.73 1kta h LEU 595 Ca 0.34 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1kta h LEU 595 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1kta h LEU 595 CO -0.11 0.73 -0.39 0.78 0.09 0.00 0.00 178.44 179.54 1kta h ASN 596 N 0.53 0.37 -0.29 -0.43 2.35 -1.42 -1.67 115.58 115.02 1kta h ASN 596 Ca 0.09 -0.16 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 1kta h ASN 596 Cb 0.55 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1kta h ASN 596 CO 0.03 0.73 -0.51 0.24 -1.65 0.00 0.00 177.43 176.27 1kta h MET 597 N 0.30 0.88 -0.35 0.81 2.86 -0.70 -0.79 114.93 117.95 1kta h MET 597 Ca 0.03 -0.54 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1kta h MET 597 Cb 0.83 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1kta h MET 597 CO 0.07 1.17 0.21 -0.44 1.06 0.00 0.00 176.91 178.98 1kta h ASP 598 N 0.68 0.42 -0.73 1.22 3.45 -0.92 -1.50 116.42 119.03 1kta h ASP 598 Ca 0.02 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.38 1kta h ASP 598 Cb 1.12 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.75 1kta h ASP 598 CO 0.12 0.34 0.25 -0.09 -1.57 0.00 0.00 179.24 178.28 1kta h ARG 599 N 0.46 1.14 -0.50 3.56 2.43 -1.16 -2.12 114.38 118.18 1kta h ARG 599 Ca 0.13 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1kta h ARG 599 Cb -0.00 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1kta h ARG 599 CO -0.02 0.95 0.11 1.98 -1.51 0.00 0.00 179.97 181.48 1kta h MET 600 N 1.10 0.80 -0.27 0.20 4.05 -0.87 -0.60 114.93 119.34 1kta h MET 600 Ca 0.24 -0.20 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1kta h MET 600 Cb 0.28 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1kta h MET 600 CO -0.01 0.78 -0.26 1.25 0.23 0.00 0.00 176.91 178.90 1kta h LEU 601 N 0.68 0.52 -0.40 3.39 5.85 -1.14 0.49 115.31 124.70 1kta h LEU 601 Ca 0.15 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1kta h LEU 601 Cb 0.34 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1kta h LEU 601 CO 0.00 0.77 -0.01 0.03 -0.34 0.00 0.00 178.44 178.89 1kta h ARG 602 N 0.46 0.72 -0.70 1.25 3.08 -0.95 -1.67 114.38 116.57 1kta h ARG 602 Ca 0.07 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1kta h ARG 602 Cb 0.69 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1kta h ARG 602 CO 0.05 0.82 0.46 0.77 -1.07 0.00 0.00 179.97 181.00 1kta h SER 603 N 0.55 0.79 -0.73 7.04 0.02 -0.76 -2.18 113.55 118.28 1kta h SER 603 Ca 0.11 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1kta h SER 603 Cb 0.50 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1kta h SER 603 CO 0.02 0.57 0.48 0.00 -1.14 0.00 0.00 176.83 176.76 1kta h ALA 604 N 1.26 0.93 -0.03 3.77 0.00 -0.67 -2.02 119.26 122.50 1kta h ALA 604 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1kta h ALA 604 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1kta h ALA 604 CO -0.06 0.36 -0.43 0.52 0.00 0.00 0.00 179.25 179.64 1kta h MET 605 N 1.00 0.06 0.00 0.00 2.07 -1.02 0.12 114.93 117.16 1kta h MET 605 Ca 0.27 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.79 1kta h MET 605 Cb -0.10 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 1kta h MET 605 CO -0.06 0.49 -0.35 -0.09 1.07 0.00 0.00 176.91 177.97 1kta h ARG 606 N 0.05 0.00 -0.54 1.72 9.65 -0.74 -2.69 114.38 121.83 1kta h ARG 606 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1kta h ARG 606 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1kta h ARG 606 CO 0.06 0.35 0.00 1.28 2.80 0.00 0.00 179.97 184.46 1kta n LEU 607 N -3.99 4.52 -3.82 3.80 4.77 -1.00 -4.96 117.00 116.33 1kta n LEU 607 Ca -0.02 -2.54 -0.29 0.00 -0.03 0.00 0.00 56.01 53.13 1kta n LEU 607 Cb 0.40 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1kta n LEU 607 CO 0.38 0.76 0.09 0.00 -1.33 0.00 0.00 177.39 177.29 1kta s LEU 609 N -7.19 4.32 0.23 0.00 1.43 0.37 -4.42 118.68 113.42 1kta s LEU 609 Ca 0.63 0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 53.53 1kta s LEU 609 Cb -0.31 -2.89 -0.12 0.00 0.03 0.00 0.00 46.19 42.89 1kta s LEU 609 CO 0.77 -0.03 1.67 -0.81 0.23 0.00 0.00 176.35 178.18 1kta n PRO 610 N -1.11 2.69 -1.27 1.29 -0.04 -1.26 -4.45 135.00 130.85 1kta n PRO 610 Ca -0.08 0.97 -0.32 0.00 -0.04 0.00 0.00 63.50 64.03 1kta n PRO 610 Cb 0.56 -2.78 0.10 0.00 -0.04 0.00 0.00 33.50 31.33 1kta n PRO 610 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kta s SER 611 N 0.92 4.29 0.16 3.54 0.15 -1.26 -4.97 113.70 116.54 1kta s SER 611 Ca 0.72 1.99 -0.13 0.00 0.70 0.00 0.00 55.95 59.23 1kta s SER 611 Cb -0.52 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.26 1kta s SER 611 CO 0.38 -2.18 0.37 0.72 1.20 0.00 0.00 173.24 173.73 1kta s PHE 612 N -2.64 0.13 -0.36 3.44 -0.12 -1.26 -4.84 117.98 112.33 1kta s PHE 612 Ca 0.65 -0.49 -0.27 0.00 -0.05 0.00 0.00 56.93 56.76 1kta s PHE 612 Cb -0.20 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1kta s PHE 612 CO 0.52 -0.77 1.00 0.34 -0.05 0.00 0.00 175.22 176.27 1kta s ASP 613 N -2.91 6.77 0.28 1.98 -1.08 -1.26 -4.92 116.67 115.54 1kta s ASP 613 Ca 0.12 0.76 0.01 0.00 -0.52 0.00 0.00 52.55 52.92 1kta s ASP 613 Cb 0.02 -2.50 0.63 0.00 -1.46 0.00 0.00 42.92 39.60 1kta s ASP 613 CO -0.03 -0.90 1.72 0.11 0.52 0.00 0.00 175.17 176.59 1kta h LYS 614 N 8.38 0.47 -0.06 4.34 1.57 -1.96 -1.32 116.57 128.00 1kta h LYS 614 Ca -0.22 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1kta h LYS 614 Cb 1.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1kta h LYS 614 CO 1.01 0.31 -0.54 -0.07 -0.57 0.00 0.00 179.45 179.60 1kta h LEU 615 N 0.49 0.19 -0.31 2.94 3.38 -1.99 -1.65 115.31 118.35 1kta h LEU 615 Ca 0.51 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.27 1kta h LEU 615 Cb 0.87 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1kta h LEU 615 CO -0.46 0.69 -0.23 -0.33 0.09 0.00 0.00 178.44 178.20 1kta h GLU 616 N 0.13 0.71 -0.71 1.13 4.39 -1.61 -0.82 114.58 117.81 1kta h GLU 616 Ca 0.00 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1kta h GLU 616 Cb 0.99 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1kta h GLU 616 CO 0.08 0.95 0.42 1.25 -1.16 0.00 0.00 179.01 180.55 1kta h LEU 617 N 0.46 0.86 -0.63 1.33 5.85 -1.24 0.34 115.31 122.27 1kta h LEU 617 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1kta h LEU 617 Cb 0.79 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1kta h LEU 617 CO 0.06 0.68 0.42 0.25 -0.34 0.00 0.00 178.44 179.50 1kta h LEU 618 N 0.96 0.73 -0.78 2.25 5.85 -1.05 0.60 115.31 123.88 1kta h LEU 618 Ca 0.25 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1kta h LEU 618 Cb -0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1kta h LEU 618 CO -0.05 0.54 0.15 -0.08 -0.34 0.00 0.00 178.44 178.66 1kta h GLU 619 N 0.86 1.07 -0.77 1.25 4.57 -0.60 0.24 114.58 121.19 1kta h GLU 619 Ca 0.23 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1kta h GLU 619 Cb -0.09 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.32 1kta h GLU 619 CO -0.05 0.95 0.42 0.00 -1.18 0.00 0.00 179.01 179.15 1kta h ILE 621 N 1.07 1.26 -0.29 0.00 2.04 -0.27 -1.75 117.51 119.58 1kta h ILE 621 Ca 0.27 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1kta h ILE 621 Cb 0.04 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1kta h ILE 621 CO -0.04 0.39 0.08 -0.09 0.00 0.00 0.00 178.15 178.49 1kta h ARG 622 N 0.84 0.19 -0.85 2.37 2.43 0.91 0.32 114.38 120.59 1kta h ARG 622 Ca 0.15 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1kta h ARG 622 Cb 0.53 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1kta h ARG 622 CO 0.03 0.12 0.49 0.00 -1.51 0.00 0.00 179.97 179.10 1kta h ARG 623 N 0.19 1.16 -0.17 0.20 2.47 -0.45 -1.35 114.38 116.44 1kta h ARG 623 Ca 0.13 -0.12 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1kta h ARG 623 Cb 0.12 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1kta h ARG 623 CO -0.15 0.83 -0.10 1.25 0.56 0.00 0.00 179.97 182.36 1kta h LEU 624 N 1.18 0.39 -1.94 3.04 5.85 -0.81 -2.02 115.31 121.00 1kta h LEU 624 Ca 0.30 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1kta h LEU 624 Cb -0.01 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1kta h LEU 624 CO -0.05 0.74 -0.09 0.40 -0.34 0.00 0.00 178.44 179.10 1kta h ILE 625 N 0.05 0.91 0.16 4.05 2.04 -0.72 -1.50 117.51 122.49 1kta h ILE 625 Ca 0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1kta h ILE 625 Cb 0.60 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1kta h ILE 625 CO 0.03 0.08 -0.07 -0.08 0.00 0.00 0.00 178.15 178.11 1kta h GLU 626 N 0.00 -0.20 -0.99 2.37 4.81 -0.91 -0.54 114.58 119.11 1kta h GLU 626 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1kta h GLU 626 Cb 0.17 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 1kta h GLU 626 CO 0.01 0.09 0.63 0.28 -0.73 0.00 0.00 179.01 179.29 1kta h VAL 627 N -0.50 0.94 -0.82 0.32 2.07 -0.57 0.90 116.25 118.59 1kta h VAL 627 Ca -0.02 -0.34 -0.37 0.00 0.82 0.00 0.00 66.70 66.78 1kta h VAL 627 Cb 0.39 -0.14 -0.22 0.00 -1.52 0.00 0.00 31.29 29.79 1kta h VAL 627 CO 0.04 0.18 0.47 0.47 0.02 0.00 0.00 177.57 178.75 1kta n ASP 628 N -4.59 4.03 -0.34 0.57 8.00 -0.73 -4.69 116.55 118.81 1kta n ASP 628 Ca 0.18 -3.33 0.24 0.00 0.71 0.00 0.00 54.79 52.59 1kta n ASP 628 Cb 0.33 -0.78 0.48 0.00 -0.02 0.00 0.00 41.12 41.13 1kta n ASP 628 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1kta h LYS 629 N 1.48 0.31 0.00 -1.24 3.64 0.86 0.30 116.57 121.92 1kta h LYS 629 Ca 0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1kta h LYS 629 Cb 2.52 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.27 1kta h LYS 629 CO 0.89 0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 178.02 1kta n ASP 630 N -5.05 0.24 0.21 4.20 8.00 -1.26 -1.17 116.55 121.72 1kta n ASP 630 Ca 0.32 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.48 1kta n ASP 630 Cb 0.99 -0.61 0.20 0.00 -0.02 0.00 0.00 41.12 41.68 1kta n ASP 630 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1kta h TRP 631 N 0.00 0.00 -2.75 1.24 4.06 -1.31 -3.42 115.95 113.77 1kta h TRP 631 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 1kta h TRP 631 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1kta h TRP 631 CO 0.00 0.12 1.12 0.08 -3.56 0.00 0.00 178.44 176.20 1kta s VAL 632 N -3.22 3.69 0.20 1.49 1.01 -0.32 -4.72 120.40 118.54 1kta s VAL 632 Ca 0.06 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 1kta s VAL 632 Cb 0.06 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1kta s VAL 632 CO 0.67 -0.27 0.18 -2.65 0.00 0.00 0.00 175.10 173.04 1kta n PRO 633 N 7.60 -1.29 0.00 2.72 -0.02 -1.26 -4.97 135.00 137.77 1kta n PRO 633 Ca 0.19 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1kta n PRO 633 Cb 0.45 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.66 1kta n PRO 633 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1kta n ASP 634 N -3.30 0.00 -4.65 2.55 3.85 -1.26 -4.37 116.55 109.37 1kta n ASP 634 Ca 0.03 -0.25 -0.30 0.00 -0.71 0.00 0.00 54.79 53.55 1kta n ASP 634 Cb 0.10 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.04 1kta n ASP 634 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kta s ALA 635 N 0.00 1.13 0.07 2.12 0.00 -1.26 -4.76 121.76 119.06 1kta s ALA 635 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 51.96 51.98 1kta s ALA 635 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1kta s ALA 635 CO 0.00 -2.88 1.61 0.00 0.00 0.00 0.00 175.76 174.49 1kta n ALA 636 N -4.30 0.76 -1.24 0.00 0.00 -1.26 -2.42 120.51 112.05 1kta n ALA 636 Ca 0.09 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 1kta n ALA 636 Cb 0.53 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1kta n ALA 636 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kta n GLY 637 N 3.51 0.97 3.89 0.00 0.00 -1.26 -4.60 105.19 107.70 1kta n GLY 637 Ca 0.19 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1kta n GLY 637 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kta s THR 638 N -2.13 3.06 0.21 2.61 -4.23 -1.02 -3.24 115.64 110.90 1kta s THR 638 Ca 0.00 -1.29 -0.20 0.00 -1.18 0.00 0.00 61.69 59.02 1kta s THR 638 Cb 0.00 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.83 1kta s THR 638 CO 0.00 -0.06 0.95 -1.54 -0.54 0.00 0.00 174.62 173.43 1kta n SER 639 N -1.53 -1.74 -4.24 3.99 3.41 -0.86 -4.79 113.62 107.86 1kta n SER 639 Ca 0.02 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.32 1kta n SER 639 Cb 0.61 2.85 -0.14 0.00 -0.26 0.00 0.00 64.21 67.26 1kta n SER 639 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1kta s LEU 640 N 0.00 2.84 -0.01 1.04 2.96 -0.67 0.97 118.68 125.81 1kta s LEU 640 Ca 0.21 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.28 1kta s LEU 640 Cb -0.03 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1kta s LEU 640 CO 0.06 -0.05 0.75 -0.47 -1.32 0.00 0.00 176.35 175.32 1kta s TYR 641 N 1.40 3.66 -0.17 5.38 5.04 0.21 -1.27 117.35 131.60 1kta s TYR 641 Ca 0.04 1.39 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1kta s TYR 641 Cb -0.15 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.32 1kta s TYR 641 CO -0.06 0.17 -0.08 0.08 -1.34 0.00 0.00 175.55 174.33 1kta s VAL 642 N 0.40 3.37 -0.43 3.14 1.01 0.42 -1.16 120.40 127.15 1kta s VAL 642 Ca 0.39 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1kta s VAL 642 Cb -0.19 -2.47 0.12 0.00 0.00 0.00 0.00 36.38 33.84 1kta s VAL 642 CO 0.21 0.48 0.19 -0.60 0.00 0.00 0.00 175.10 175.38 1kta s ARG 643 N 0.76 1.48 0.31 2.72 6.06 -0.26 -2.27 118.95 127.76 1kta s ARG 643 Ca -0.03 -2.06 -0.18 0.00 -2.50 0.00 0.00 55.73 50.96 1kta s ARG 643 Cb -0.15 -2.80 -0.09 0.00 0.06 0.00 0.00 34.95 31.97 1kta s ARG 643 CO 0.02 -1.07 0.77 -2.14 -2.50 0.00 0.00 175.30 170.37 1kta s PRO 644 N 0.42 4.13 -0.10 5.12 0.02 -1.24 -1.96 135.00 141.38 1kta s PRO 644 Ca 0.15 0.81 -0.09 0.00 0.02 0.00 0.00 61.00 61.90 1kta s PRO 644 Cb -0.23 -2.54 0.03 0.00 0.02 0.00 0.00 34.50 31.78 1kta s PRO 644 CO -0.05 0.20 0.26 0.08 -0.33 0.00 0.00 177.00 177.16 1kta s VAL 645 N -1.87 -0.00 -0.10 3.83 1.01 0.10 -1.22 120.40 122.16 1kta s VAL 645 Ca 0.52 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1kta s VAL 645 Cb -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1kta s VAL 645 CO 0.18 0.01 -0.13 -0.22 0.00 0.00 0.00 175.10 174.94 1kta s LEU 646 N 0.26 1.62 0.09 3.92 2.96 -0.73 -0.65 118.68 126.16 1kta s LEU 646 Ca -0.01 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1kta s LEU 646 Cb -0.03 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1kta s LEU 646 CO -0.01 0.00 -0.17 0.27 -1.32 0.00 0.00 176.35 175.12 1kta s ILE 647 N 0.99 1.40 0.59 6.68 -4.36 0.01 -1.45 121.20 125.07 1kta s ILE 647 Ca -0.07 -1.47 -0.15 0.00 -0.26 0.00 0.00 60.65 58.70 1kta s ILE 647 Cb -0.15 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 1kta s ILE 647 CO -0.01 -0.18 1.04 -0.83 0.24 0.00 0.00 174.94 175.20 1kta s GLY 648 N -1.92 2.02 -0.19 6.27 0.00 0.16 -1.14 107.32 112.53 1kta s GLY 648 Ca 0.03 0.27 0.15 0.00 0.00 0.00 0.00 44.72 45.17 1kta s GLY 648 CO 0.03 0.58 1.25 -2.01 0.00 0.00 0.00 173.10 172.96 1kta n ASN 649 N -2.11 -0.22 -4.71 1.64 5.15 -0.02 -2.45 115.26 112.54 1kta n ASN 649 Ca 0.08 -2.09 -0.41 0.00 -0.60 0.00 0.00 54.58 51.57 1kta n ASN 649 Cb 0.53 0.15 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 1kta n ASN 649 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1kta s GLU 650 N -0.90 4.49 -1.57 1.20 2.12 -1.25 -4.73 118.70 118.06 1kta s GLU 650 Ca 0.15 1.12 -0.10 0.00 0.36 0.00 0.00 54.97 56.50 1kta s GLU 650 Cb 0.30 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.17 1kta s GLU 650 CO -0.08 0.02 2.83 -0.35 -0.54 0.00 0.00 175.26 177.13 1kta n PRO 651 N 3.82 3.51 -3.83 4.30 -0.04 -1.26 -2.29 135.00 139.21 1kta n PRO 651 Ca 0.02 -2.22 -0.12 0.00 -0.04 0.00 0.00 63.50 61.14 1kta n PRO 651 Cb 0.51 -2.85 -0.13 0.00 -0.04 0.00 0.00 33.50 30.99 1kta n PRO 651 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kta s SER 652 N 2.38 -0.12 0.00 3.54 0.15 -1.25 -4.90 113.70 113.50 1kta s SER 652 Ca 0.66 0.23 0.28 0.00 0.70 0.00 0.00 55.95 57.81 1kta s SER 652 Cb 0.17 0.23 1.07 0.00 -1.71 0.00 0.00 66.02 65.77 1kta s SER 652 CO -0.06 -0.04 1.76 0.18 1.20 0.00 0.00 173.24 176.28 1kta n LEU 653 N 3.06 0.56 -4.77 3.45 4.77 -1.26 -4.55 117.00 118.27 1kta n LEU 653 Ca -0.13 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.43 1kta n LEU 653 Cb 0.59 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1kta n LEU 653 CO 0.22 0.11 0.92 -0.83 -1.33 0.00 0.00 177.39 176.48 1kta s GLY 654 N -2.56 2.98 -0.57 -0.72 0.00 -1.26 -4.93 107.32 100.27 1kta s GLY 654 Ca 0.25 1.15 -0.28 0.00 0.00 0.00 0.00 44.72 45.84 1kta s GLY 654 CO 0.51 1.76 1.26 0.14 0.00 0.00 0.00 173.10 176.78 1kta s VAL 655 N -1.20 3.95 0.24 1.40 1.01 -1.26 -4.94 120.40 119.60 1kta s VAL 655 Ca 0.50 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 1kta s VAL 655 Cb -0.37 -4.62 0.06 0.00 0.00 0.00 0.00 36.38 31.45 1kta s VAL 655 CO 0.48 -1.27 0.92 -0.94 0.00 0.00 0.00 175.10 174.29 1kta s SER 656 N 3.41 -0.07 0.07 3.32 1.04 -1.26 -5.12 113.70 115.08 1kta s SER 656 Ca 0.46 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.86 1kta s SER 656 Cb -0.09 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.57 1kta s SER 656 CO 0.26 -1.20 1.71 -1.58 0.98 0.00 0.00 173.24 173.40 1kta s GLN 657 N -2.69 4.18 0.71 4.02 0.74 -1.26 -4.95 119.66 120.41 1kta s GLN 657 Ca 0.16 2.39 -0.14 0.00 0.05 0.00 0.00 55.36 57.82 1kta s GLN 657 Cb -0.03 -3.67 0.03 0.00 1.10 0.00 0.00 33.01 30.44 1kta s GLN 657 CO 0.06 -0.78 1.13 -2.14 -0.55 0.00 0.00 175.29 173.01 1kta s PRO 658 N 2.89 2.43 0.00 1.67 0.02 -1.26 -4.91 135.00 135.84 1kta s PRO 658 Ca 0.76 1.42 0.07 0.00 0.02 0.00 0.00 61.00 63.27 1kta s PRO 658 Cb -0.41 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.38 1kta s PRO 658 CO 0.33 -1.54 1.08 0.54 -0.33 0.00 0.00 177.00 177.08 1kta n ARG 659 N -2.84 2.38 -3.73 5.54 5.12 -1.26 -4.93 116.66 116.94 1kta n ARG 659 Ca 0.11 -1.67 -0.13 0.00 -1.93 0.00 0.00 57.85 54.23 1kta n ARG 659 Cb 0.52 -1.16 -0.10 0.00 -1.16 0.00 0.00 32.46 30.56 1kta n ARG 659 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1kta s ARG 660 N -0.92 0.51 0.05 5.56 3.52 -1.26 -3.61 118.95 122.81 1kta s ARG 660 Ca 0.13 0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 56.01 1kta s ARG 660 Cb 0.07 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1kta s ARG 660 CO 0.09 -0.08 0.35 0.00 -0.81 0.00 0.00 175.30 174.85 1kta s ALA 661 N -0.06 -0.82 -0.03 6.12 0.00 -0.37 -0.84 121.76 125.76 1kta s ALA 661 Ca -0.02 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1kta s ALA 661 Cb -0.03 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1kta s ALA 661 CO 0.01 -0.46 -0.10 -1.17 0.00 0.00 0.00 175.76 174.04 1kta s LEU 662 N -2.15 1.77 -0.09 0.00 2.96 -0.29 -0.60 118.68 120.28 1kta s LEU 662 Ca -0.04 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1kta s LEU 662 Cb -0.00 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 1kta s LEU 662 CO -0.04 0.07 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.68 1kta s LEU 663 N 0.24 2.57 0.09 -0.68 0.20 0.38 -0.81 118.68 120.68 1kta s LEU 663 Ca -0.04 -0.33 -0.13 0.00 0.69 0.00 0.00 54.13 54.32 1kta s LEU 663 Cb -0.10 -1.54 0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1kta s LEU 663 CO 0.01 0.23 0.29 0.72 -0.29 0.00 0.00 176.35 177.31 1kta s PHE 664 N -0.05 -0.04 -0.03 5.38 -0.71 0.17 -0.67 117.98 122.04 1kta s PHE 664 Ca -0.04 -0.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 1kta s PHE 664 Cb -0.14 0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1kta s PHE 664 CO 0.04 -0.60 -0.01 0.08 -1.34 0.00 0.00 175.22 173.39 1kta s VAL 665 N -3.61 0.24 0.20 -2.49 1.01 -0.06 0.00 120.40 115.70 1kta s VAL 665 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1kta s VAL 665 Cb 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1kta s VAL 665 CO -0.10 0.15 -0.16 0.27 0.00 0.00 0.00 175.10 175.26 1kta s ILE 666 N 0.86 1.82 0.02 2.22 -4.36 -0.83 -1.58 121.20 119.35 1kta s ILE 666 Ca -0.09 -2.16 0.07 0.00 -0.26 0.00 0.00 60.65 58.20 1kta s ILE 666 Cb -0.12 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 1kta s ILE 666 CO -0.01 -0.52 -0.20 -0.76 0.24 0.00 0.00 174.94 173.69 1kta s LEU 667 N -3.19 2.11 -0.07 0.37 1.43 -1.26 -1.10 118.68 116.96 1kta s LEU 667 Ca 0.22 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1kta s LEU 667 Cb -0.02 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1kta s LEU 667 CO 0.08 0.19 -0.11 0.00 0.23 0.00 0.00 176.35 176.74 1kta s PRO 669 N 0.89 4.63 -0.00 0.00 0.02 -1.25 0.68 135.00 139.97 1kta s PRO 669 Ca -0.10 1.60 0.05 0.00 0.02 0.00 0.00 61.00 62.57 1kta s PRO 669 Cb -0.15 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 1kta s PRO 669 CO 0.01 0.26 -0.16 0.08 -0.33 0.00 0.00 177.00 176.86 1kta s VAL 670 N -1.30 1.29 0.95 3.83 1.01 0.27 -4.82 120.40 121.63 1kta s VAL 670 Ca 0.46 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1kta s VAL 670 Cb -0.27 -1.08 0.23 0.00 0.00 0.00 0.00 36.38 35.26 1kta s VAL 670 CO 0.34 0.32 0.97 0.61 0.00 0.00 0.00 175.10 177.34 1kta n GLY 671 N 2.56 -2.31 3.67 4.51 0.00 -1.26 -2.02 105.19 110.34 1kta n GLY 671 Ca -0.15 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1kta n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kta s ALA 672 N -3.32 3.56 0.25 4.61 0.00 -1.20 -4.50 121.76 121.16 1kta s ALA 672 Ca 0.60 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1kta s ALA 672 Cb -0.04 -3.46 0.48 0.00 0.00 0.00 0.00 23.12 20.10 1kta s ALA 672 CO 0.45 -0.83 1.63 -0.92 0.00 0.00 0.00 175.76 176.09 1kta h TYR 673 N 7.32 -0.00 -3.52 0.00 3.20 -1.85 -3.36 116.97 118.76 1kta h TYR 673 Ca -0.25 0.06 -0.61 0.00 3.14 0.00 0.00 58.73 61.07 1kta h TYR 673 Cb 1.10 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 39.38 1kta h TYR 673 CO 0.73 -0.24 -0.17 -0.06 -1.64 0.00 0.00 178.16 176.78 1kta s PHE 674 N -6.09 3.35 -0.37 -3.82 0.40 -1.26 -5.00 117.98 105.18 1kta s PHE 674 Ca -0.13 0.61 -0.44 0.00 -0.60 0.00 0.00 56.93 56.37 1kta s PHE 674 Cb 0.23 -2.57 -0.18 0.00 0.51 0.00 0.00 43.02 41.01 1kta s PHE 674 CO 0.76 -0.07 1.62 -2.30 0.70 0.00 0.00 175.22 175.92 1kta n PRO 675 N 4.71 0.48 -1.69 0.24 -0.02 -1.26 -0.74 135.00 136.72 1kta n PRO 675 Ca -0.07 0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 61.42 1kta n PRO 675 Cb 0.51 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1kta n PRO 675 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kta n GLY 676 N 3.90 1.05 2.03 -1.23 0.00 -1.26 -2.78 105.19 106.89 1kta n GLY 676 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 1kta n GLY 676 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kta n GLY 677 N -0.44 0.32 0.00 -0.02 0.00 0.08 -5.06 105.19 100.08 1kta n GLY 677 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1kta n GLY 677 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kta n SER 678 N -0.82 0.00 -3.45 1.61 2.88 -1.12 -5.08 113.62 107.64 1kta n SER 678 Ca -0.04 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.51 1kta n SER 678 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1kta n SER 678 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kta s VAL 679 N 3.73 -0.54 -0.03 2.46 1.01 -1.26 -4.81 120.40 120.95 1kta s VAL 679 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1kta s VAL 679 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1kta s VAL 679 CO 0.00 0.00 -0.17 -0.89 0.00 0.00 0.00 175.10 174.04 1kta s THR 680 N 2.45 1.38 0.63 3.92 2.01 -1.26 -5.09 115.64 119.68 1kta s THR 680 Ca -0.03 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1kta s THR 680 Cb -0.07 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1kta s THR 680 CO -0.18 0.39 1.04 -2.16 -0.69 0.00 0.00 174.62 173.03 1kta s PRO 681 N -0.15 3.38 0.21 4.92 0.04 -1.26 -4.56 135.00 137.58 1kta s PRO 681 Ca 0.01 0.93 0.10 0.00 0.04 0.00 0.00 61.00 62.07 1kta s PRO 681 Cb -0.09 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1kta s PRO 681 CO 0.01 -0.75 -0.13 0.14 0.04 0.00 0.00 177.00 176.31 1kta s VAL 682 N -2.93 2.95 0.06 -0.36 -7.23 -0.20 -4.85 120.40 107.84 1kta s VAL 682 Ca 0.58 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1kta s VAL 682 Cb -0.13 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1kta s VAL 682 CO 0.48 -0.20 0.04 -0.94 -0.31 0.00 0.00 175.10 174.17 1kta s SER 683 N -3.04 5.33 0.03 4.85 1.04 -1.26 -2.04 113.70 118.61 1kta s SER 683 Ca 0.26 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.71 1kta s SER 683 Cb -0.08 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.63 1kta s SER 683 CO 0.15 0.20 -0.17 -0.76 0.98 0.00 0.00 173.24 173.64 1kta s LEU 684 N -2.16 2.14 -0.19 2.42 1.43 -0.04 -1.24 118.68 121.04 1kta s LEU 684 Ca 0.26 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 1kta s LEU 684 Cb -0.12 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1kta s LEU 684 CO 0.18 0.12 0.32 -0.22 0.23 0.00 0.00 176.35 176.98 1kta s LEU 685 N -0.99 4.19 -0.45 1.79 2.96 0.47 -0.36 118.68 126.29 1kta s LEU 685 Ca 0.05 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1kta s LEU 685 Cb -0.08 -2.39 0.12 0.00 0.50 0.00 0.00 46.19 44.34 1kta s LEU 685 CO 0.01 0.02 0.19 0.00 -1.32 0.00 0.00 176.35 175.26 1kta s ALA 686 N 0.90 2.87 -0.18 5.97 0.00 -0.19 -0.98 121.76 130.15 1kta s ALA 686 Ca 0.16 -2.86 0.01 0.00 0.00 0.00 0.00 51.96 49.27 1kta s ALA 686 Cb -0.14 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1kta s ALA 686 CO 0.06 -1.93 -0.14 0.34 0.00 0.00 0.00 175.76 174.09 1kta s ASP 687 N 0.24 3.12 0.50 0.00 -1.08 -1.26 -3.98 116.67 114.20 1kta s ASP 687 Ca 0.15 -0.71 0.33 0.00 -0.52 0.00 0.00 52.55 51.80 1kta s ASP 687 Cb -0.23 -1.27 1.81 0.00 -1.46 0.00 0.00 42.92 41.76 1kta s ASP 687 CO -0.04 -0.09 2.02 -0.65 0.52 0.00 0.00 175.17 176.94 1kta h PRO 688 N 7.99 0.00 -0.11 4.34 0.11 -1.93 -2.33 132.00 140.07 1kta h PRO 688 Ca -0.35 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1kta h PRO 688 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1kta h PRO 688 CO 0.53 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.43 1kta h ALA 689 N 1.99 1.74 -2.86 -0.75 0.00 -1.95 -3.41 119.26 114.01 1kta h ALA 689 Ca 0.00 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1kta h ALA 689 Cb 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1kta h ALA 689 CO 0.00 -0.17 -0.19 -0.06 0.00 0.00 0.00 179.25 178.83 1kta s PHE 690 N -4.68 3.38 -0.21 0.00 2.99 -0.88 -5.06 117.98 113.52 1kta s PHE 690 Ca -0.05 0.64 -0.04 0.00 0.00 0.00 0.00 56.93 57.48 1kta s PHE 690 Cb 0.15 -2.53 0.07 0.00 0.00 0.00 0.00 43.02 40.72 1kta s PHE 690 CO 0.56 0.00 0.08 0.42 -0.00 0.00 0.00 175.22 176.29 1kta s ILE 691 N 1.26 0.18 0.27 0.64 1.01 -1.26 -4.38 121.20 118.92 1kta s ILE 691 Ca 0.20 -0.49 0.13 0.00 0.00 0.00 0.00 60.65 60.48 1kta s ILE 691 Cb -0.15 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1kta s ILE 691 CO 0.08 -0.37 1.68 -0.09 0.00 0.00 0.00 174.94 176.24 1kta h ARG 692 N 8.34 0.00 -2.40 2.79 2.43 -1.97 -3.47 114.38 120.10 1kta h ARG 692 Ca -0.16 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1kta h ARG 692 Cb 1.10 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.52 1kta h ARG 692 CO 0.35 0.52 0.45 0.00 -1.51 0.00 0.00 179.97 179.77 1kta s ALA 693 N -3.71 -1.74 0.09 2.80 0.00 -1.26 -4.91 121.76 113.02 1kta s ALA 693 Ca -0.01 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.71 1kta s ALA 693 Cb 0.13 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1kta s ALA 693 CO 0.74 -0.79 -0.12 -0.46 0.00 0.00 0.00 175.76 175.13 1kta s TRP 694 N -3.25 1.13 0.28 0.00 -0.11 -1.26 -5.03 118.94 110.69 1kta s TRP 694 Ca 0.06 -0.57 -0.30 0.00 1.22 0.00 0.00 56.10 56.51 1kta s TRP 694 Cb -0.01 -0.62 -0.11 0.00 -1.50 0.00 0.00 33.47 31.23 1kta s TRP 694 CO -0.07 0.03 1.55 0.08 -4.62 0.00 0.00 176.95 173.93 1kta s VAL 695 N -1.97 2.23 0.00 5.86 1.01 -1.26 -0.83 120.40 125.44 1kta s VAL 695 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1kta s VAL 695 Cb -0.06 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1kta s VAL 695 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1kta n GLY 696 N 2.20 0.98 0.00 4.51 0.00 -1.26 -5.02 105.19 106.60 1kta n GLY 696 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1kta n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kta n GLY 697 N -2.00 1.59 0.49 -0.02 0.00 -0.01 -5.06 105.19 100.18 1kta n GLY 697 Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.37 1kta n GLY 697 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kta n VAL 698 N 0.00 1.43 0.31 1.61 0.24 -1.26 -4.78 118.33 115.87 1kta n VAL 698 Ca 0.00 -2.02 0.20 0.00 -2.04 0.00 0.00 64.34 60.47 1kta n VAL 698 Cb 0.00 0.04 0.95 0.00 -1.47 0.00 0.00 33.84 33.37 1kta n VAL 698 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1kta h GLY 699 N 0.43 0.00 -2.38 7.63 0.00 -1.82 -2.33 103.07 104.61 1kta h GLY 699 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1kta h GLY 699 CO 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 1kta n ASN 700 N -2.99 3.61 -4.23 0.19 2.04 -1.22 -3.15 115.26 109.51 1kta n ASN 700 Ca -0.01 -2.41 -0.21 0.00 -0.44 0.00 0.00 54.58 51.51 1kta n ASN 700 Cb 0.16 -0.52 -0.12 0.00 -2.53 0.00 0.00 39.78 36.77 1kta n ASN 700 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 1kta s TYR 701 N -1.89 1.50 -1.23 -2.53 2.02 -0.88 -4.59 117.35 109.76 1kta s TYR 701 Ca 0.35 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.51 1kta s TYR 701 Cb 0.24 -0.83 0.20 0.00 -0.40 0.00 0.00 41.96 41.17 1kta s TYR 701 CO 0.14 0.13 1.71 1.17 -1.57 0.00 0.00 175.55 177.14 1kta n LYS 702 N 1.13 3.75 -3.95 -0.62 4.81 -1.26 -4.96 118.16 117.06 1kta n LYS 702 Ca -0.20 -3.81 -0.36 0.00 -0.87 0.00 0.00 58.31 53.07 1kta n LYS 702 Cb 0.54 -2.85 -0.07 0.00 0.02 0.00 0.00 35.03 32.67 1kta n LYS 702 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1kta s LEU 703 N -0.44 4.18 0.38 3.14 1.43 -1.26 -1.99 118.68 124.11 1kta s LEU 703 Ca 0.38 0.35 0.12 0.00 -1.03 0.00 0.00 54.13 53.95 1kta s LEU 703 Cb 0.06 -2.02 0.92 0.00 0.03 0.00 0.00 46.19 45.18 1kta s LEU 703 CO 0.02 0.35 1.86 1.23 0.23 0.00 0.00 176.35 180.04 1kta h GLY 704 N 5.40 1.10 1.28 -3.19 0.00 -1.85 -0.48 103.07 105.32 1kta h GLY 704 Ca -0.51 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 46.65 1kta h GLY 704 CO 0.61 0.04 0.29 -1.33 0.00 0.00 0.00 176.54 176.15 1kta h GLY 705 N 0.57 0.00 2.00 4.60 0.00 -1.86 0.19 103.07 108.57 1kta h GLY 705 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1kta h GLY 705 CO -0.20 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.66 1kta h ASN 706 N 0.00 0.00 0.04 0.19 -0.26 -1.45 -3.37 115.58 110.73 1kta h ASN 706 Ca 0.13 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.49 1kta h ASN 706 Cb 0.70 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.91 1kta h ASN 706 CO -0.00 0.11 -2.22 -1.22 -1.06 0.00 0.00 177.43 173.03 1kta n TYR 707 N -3.28 0.49 -0.27 1.19 4.02 0.05 -4.51 117.16 114.85 1kta n TYR 707 Ca 0.00 0.13 0.08 0.00 -0.01 0.00 0.00 57.90 58.10 1kta n TYR 707 Cb 0.35 -1.06 0.21 0.00 -0.02 0.00 0.00 39.34 38.82 1kta n TYR 707 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1kta h GLY 708 N 0.97 1.09 2.00 2.72 0.00 -1.70 0.61 103.07 108.76 1kta h GLY 708 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1kta h GLY 708 CO -0.10 -0.28 0.00 -1.05 0.00 0.00 0.00 176.54 175.11 1kta n PRO 709 N -5.23 0.10 0.11 4.80 -0.02 -1.26 -2.64 135.00 130.86 1kta n PRO 709 Ca 0.16 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1kta n PRO 709 Cb 0.54 -1.72 0.30 0.00 -0.02 0.00 0.00 33.50 32.60 1kta n PRO 709 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1kta h THR 710 N 0.00 0.00 -0.39 3.45 1.35 -1.11 -3.37 112.91 112.85 1kta h THR 710 Ca 0.00 -0.56 0.06 0.00 -0.55 0.00 0.00 66.41 65.36 1kta h THR 710 Cb 0.25 1.43 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 1kta h THR 710 CO 0.00 0.00 0.06 0.58 -0.25 0.00 0.00 175.52 175.91 1kta h VAL 711 N 0.00 0.79 -0.42 6.82 2.07 -1.56 0.16 116.25 124.11 1kta h VAL 711 Ca 0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1kta h VAL 711 Cb 0.78 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1kta h VAL 711 CO 0.00 0.03 -0.02 0.25 0.02 0.00 0.00 177.57 177.85 1kta h LEU 712 N 0.19 0.65 -0.53 2.57 5.85 -1.81 -1.93 115.31 120.29 1kta h LEU 712 Ca 0.19 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 1kta h LEU 712 Cb 0.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1kta h LEU 712 CO -0.26 0.74 -0.42 0.58 -0.34 0.00 0.00 178.44 178.74 1kta h VAL 713 N 0.64 1.29 -0.44 1.05 2.07 -1.50 -1.86 116.25 117.50 1kta h VAL 713 Ca 0.13 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 1kta h VAL 713 Cb 0.43 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1kta h VAL 713 CO 0.02 0.52 -0.08 -0.61 0.02 0.00 0.00 177.57 177.43 1kta h GLN 714 N 0.59 0.77 -0.94 1.57 5.75 -0.75 -1.51 115.11 120.59 1kta h GLN 714 Ca 0.04 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1kta h GLN 714 Cb 0.97 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.40 1kta h GLN 714 CO 0.09 0.84 0.56 1.96 -2.65 0.00 0.00 178.83 179.63 1kta h GLN 715 N 0.71 1.28 -0.15 1.69 4.20 -0.94 -1.99 115.11 119.90 1kta h GLN 715 Ca 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1kta h GLN 715 Cb 0.55 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1kta h GLN 715 CO 0.03 0.89 0.07 1.49 -0.67 0.00 0.00 178.83 180.65 1kta h GLU 716 N 1.30 0.22 -0.73 1.46 4.57 -0.75 -0.93 114.58 119.71 1kta h GLU 716 Ca 0.34 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.64 1kta h GLU 716 Cb -0.05 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.39 1kta h GLU 716 CO -0.06 0.27 0.16 0.00 -1.18 0.00 0.00 179.01 178.20 1kta h ALA 717 N 0.94 0.93 -0.41 2.92 0.00 -0.86 0.38 119.26 123.16 1kta h ALA 717 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1kta h ALA 717 Cb 0.13 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1kta h ALA 717 CO -0.01 -0.35 0.17 -0.07 0.00 0.00 0.00 179.25 179.00 1kta h LEU 718 N 0.25 0.55 -1.79 0.00 4.07 -0.79 0.17 115.31 117.77 1kta h LEU 718 Ca 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1kta h LEU 718 Cb 0.70 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1kta h LEU 718 CO -0.52 0.55 -0.15 0.11 -1.08 0.00 0.00 178.44 177.35 1kta h LYS 719 N 0.51 0.00 -0.45 1.13 1.57 0.54 0.28 116.57 120.16 1kta h LYS 719 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1kta h LYS 719 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1kta h LYS 719 CO -0.01 0.15 0.00 0.54 -0.57 0.00 0.00 179.45 179.56 1kta n ARG 720 N -4.00 2.03 -1.68 3.15 1.74 0.11 -4.91 116.66 113.10 1kta n ARG 720 Ca -0.02 -1.30 -0.05 0.00 -0.77 0.00 0.00 57.85 55.71 1kta n ARG 720 Cb 0.24 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1kta n ARG 720 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kta n GLY 721 N 0.88 0.43 3.59 -0.13 0.00 0.09 -5.04 105.19 105.01 1kta n GLY 721 Ca 0.12 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1kta n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kta n GLU 723 N -0.84 0.68 -4.13 0.00 1.02 -0.37 -3.25 120.64 113.75 1kta n GLU 723 Ca -0.05 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 1kta n GLU 723 Cb 0.61 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 1kta n GLU 723 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1kta s GLN 724 N -2.58 1.57 -0.15 3.49 -0.21 -0.88 -4.90 119.66 116.01 1kta s GLN 724 Ca -0.09 -1.63 -0.05 0.00 0.02 0.00 0.00 55.36 53.62 1kta s GLN 724 Cb 0.07 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.42 1kta s GLN 724 CO 0.83 -0.61 0.00 0.08 -2.12 0.00 0.00 175.29 173.48 1kta s VAL 725 N -3.70 4.25 -0.39 1.09 1.01 -1.26 -0.40 120.40 121.00 1kta s VAL 725 Ca 0.33 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1kta s VAL 725 Cb 0.02 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1kta s VAL 725 CO 0.16 0.50 0.26 -0.22 0.00 0.00 0.00 175.10 175.81 1kta s LEU 726 N 0.16 4.90 -0.19 3.92 2.96 -0.15 0.13 118.68 130.40 1kta s LEU 726 Ca 0.01 -0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 1kta s LEU 726 Cb -0.13 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.44 1kta s LEU 726 CO 0.02 -0.39 1.03 0.26 -1.32 0.00 0.00 176.35 175.94 1kta s TRP 727 N 1.66 3.39 0.19 5.38 0.52 -0.49 -4.33 118.94 125.27 1kta s TRP 727 Ca 0.04 1.50 0.04 0.00 0.02 0.00 0.00 56.10 57.71 1kta s TRP 727 Cb -0.19 -3.24 -0.03 0.00 -1.15 0.00 0.00 33.47 28.86 1kta s TRP 727 CO 0.09 -0.40 0.29 -0.51 0.02 0.00 0.00 176.95 176.44 1kta s LEU 728 N 2.82 4.24 -0.00 2.99 1.43 -1.26 -1.57 118.68 127.33 1kta s LEU 728 Ca 0.45 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1kta s LEU 728 Cb -0.16 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 1kta s LEU 728 CO 0.10 0.00 0.01 -0.47 0.23 0.00 0.00 176.35 176.22 1kta s TYR 729 N -1.85 0.01 0.00 0.29 5.04 -0.63 -4.73 117.35 115.47 1kta s TYR 729 Ca 0.34 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1kta s TYR 729 Cb -0.10 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1kta s TYR 729 CO 0.28 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.87 1kta n GLY 730 N 2.91 -1.50 0.29 8.97 0.00 -1.26 -0.12 105.19 114.48 1kta n GLY 730 Ca -0.13 -1.57 0.18 0.00 0.00 0.00 0.00 46.02 44.50 1kta n GLY 730 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kta h PRO 731 N 0.00 0.00 0.00 1.61 0.11 -2.01 -0.87 132.00 130.84 1kta h PRO 731 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1kta h PRO 731 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1kta h PRO 731 CO 0.00 0.02 -0.03 -3.47 -0.21 0.00 0.00 178.00 174.31 1kta n ASP 732 N -3.14 0.50 -3.53 -2.05 -0.08 -1.26 -4.97 116.55 102.01 1kta n ASP 732 Ca -0.00 0.51 -0.25 0.00 -1.51 0.00 0.00 54.79 53.54 1kta n ASP 732 Cb 0.25 -0.63 0.05 0.00 2.34 0.00 0.00 41.12 43.14 1kta n ASP 732 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1kta n HIS 733 N -1.95 -2.12 -2.60 -0.67 8.25 -0.33 -4.12 115.22 111.67 1kta n HIS 733 Ca 0.06 0.60 -0.38 0.00 -0.26 0.00 0.00 57.72 57.75 1kta n HIS 733 Cb 0.39 -3.64 -0.05 0.00 1.12 0.00 0.00 29.99 27.82 1kta n HIS 733 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1kta s GLN 734 N -5.37 4.40 -0.03 -0.41 -0.21 0.83 -1.44 119.66 117.43 1kta s GLN 734 Ca 0.44 1.53 -0.26 0.00 0.02 0.00 0.00 55.36 57.09 1kta s GLN 734 Cb -0.13 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1kta s GLN 734 CO 0.82 0.07 0.80 -0.51 -2.12 0.00 0.00 175.29 174.36 1kta s LEU 735 N -2.18 4.35 -0.03 2.90 1.02 0.29 -1.61 118.68 123.43 1kta s LEU 735 Ca 0.52 1.38 -0.05 0.00 0.02 0.00 0.00 54.13 56.01 1kta s LEU 735 Cb -0.23 -3.27 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 1kta s LEU 735 CO 0.30 -0.15 -0.09 0.35 0.02 0.00 0.00 176.35 176.78 1kta n THR 736 N 3.68 0.59 -3.76 5.49 -2.24 -0.61 -4.64 114.28 112.80 1kta n THR 736 Ca 0.01 0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1kta n THR 736 Cb 0.51 -1.62 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 1kta n THR 736 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1kta s GLU 737 N -1.65 1.23 -0.32 -0.78 -1.05 -1.25 -4.35 118.70 110.52 1kta s GLU 737 Ca -0.07 -0.89 0.04 0.00 -0.15 0.00 0.00 54.97 53.90 1kta s GLU 737 Cb 0.01 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.26 1kta s GLU 737 CO 0.11 -0.50 0.01 0.54 0.95 0.00 0.00 175.26 176.37 1kta s VAL 738 N -3.87 2.27 0.00 1.83 0.11 0.83 -1.39 120.40 120.18 1kta s VAL 738 Ca 0.09 -2.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.00 1kta s VAL 738 Cb 0.01 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 1kta s VAL 738 CO -0.05 -0.44 0.00 0.61 -3.33 0.00 0.00 175.10 171.89 1kta n GLY 739 N 4.31 1.57 2.34 6.54 0.00 0.12 -1.56 105.19 118.51 1kta n GLY 739 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1kta n GLY 739 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kta n THR 740 N 0.00 2.31 -3.69 2.61 -2.24 -1.26 -5.00 114.28 107.00 1kta n THR 740 Ca 0.00 -4.50 -0.14 0.00 -2.27 0.00 0.00 64.05 57.15 1kta n THR 740 Cb 0.00 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.14 1kta n THR 740 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1kta s MET 741 N -3.55 0.82 0.57 -0.78 -1.94 -0.60 -4.72 119.30 109.10 1kta s MET 741 Ca 0.47 -0.18 -0.08 0.00 -1.71 0.00 0.00 55.69 54.19 1kta s MET 741 Cb 0.40 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 37.59 1kta s MET 741 CO -0.09 -0.25 0.91 -0.80 -0.01 0.00 0.00 175.02 174.78 1kta s ASN 742 N -1.54 6.04 -0.06 3.03 0.01 -0.24 -0.12 114.94 122.05 1kta s ASN 742 Ca -0.10 1.05 0.04 0.00 -0.71 0.00 0.00 52.86 53.14 1kta s ASN 742 Cb -0.03 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 1kta s ASN 742 CO 0.03 -0.84 -0.19 -0.51 -1.51 0.00 0.00 177.10 174.08 1kta s ILE 743 N -2.98 2.62 0.07 0.60 2.07 -1.26 -0.15 121.20 122.16 1kta s ILE 743 Ca 0.52 -0.87 0.08 0.00 -1.41 0.00 0.00 60.65 58.97 1kta s ILE 743 Cb -0.11 -2.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.45 1kta s ILE 743 CO 0.48 0.57 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.51 1kta s PHE 744 N -0.41 1.86 -0.07 3.50 0.40 0.14 -4.27 117.98 119.13 1kta s PHE 744 Ca 0.04 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1kta s PHE 744 Cb -0.12 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.35 1kta s PHE 744 CO 0.02 0.15 -0.14 0.08 0.70 0.00 0.00 175.22 176.03 1kta s VAL 745 N -0.95 1.25 -0.23 -0.44 1.01 -0.24 -1.86 120.40 118.93 1kta s VAL 745 Ca 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1kta s VAL 745 Cb -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1kta s VAL 745 CO 0.03 0.38 -0.06 -0.47 0.00 0.00 0.00 175.10 174.98 1kta s TYR 746 N 0.63 2.98 0.35 5.22 5.04 0.65 -0.86 117.35 131.36 1kta s TYR 746 Ca -0.15 -1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 53.05 1kta s TYR 746 Cb -0.16 -2.07 0.05 0.00 0.35 0.00 0.00 41.96 40.12 1kta s TYR 746 CO 0.04 -0.65 0.78 1.67 -1.34 0.00 0.00 175.55 176.05 1kta s TRP 747 N 1.40 0.03 -0.36 4.97 -2.14 -0.92 -0.70 118.94 121.22 1kta s TRP 747 Ca 0.04 -0.63 -0.17 0.00 2.66 0.00 0.00 56.10 57.99 1kta s TRP 747 Cb -0.15 0.80 -0.00 0.00 -3.10 0.00 0.00 33.47 31.01 1kta s TRP 747 CO -0.05 -1.45 0.45 0.99 -2.66 0.00 0.00 176.95 174.23 1kta s THR 748 N -2.76 5.08 1.06 0.66 2.01 0.10 -0.72 115.64 121.07 1kta s THR 748 Ca 0.14 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1kta s THR 748 Cb -0.05 -3.93 0.23 0.00 0.01 0.00 0.00 72.50 68.76 1kta s THR 748 CO 0.10 -0.21 1.07 -2.28 -0.69 0.00 0.00 174.62 172.61 1kta s HIS 749 N 2.22 1.82 0.55 4.92 2.46 0.25 -4.82 115.29 122.69 1kta s HIS 749 Ca 0.15 1.06 0.29 0.00 0.47 0.00 0.00 55.06 57.03 1kta s HIS 749 Cb -0.16 -3.20 1.46 0.00 -0.13 0.00 0.00 32.58 30.54 1kta s HIS 749 CO 0.13 -3.27 1.93 0.93 -2.47 0.00 0.00 174.74 171.99 1kta h GLU 750 N -2.18 0.00 -0.40 2.88 5.08 -1.96 -0.30 114.58 117.70 1kta h GLU 750 Ca -0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1kta h GLU 750 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1kta h GLU 750 CO 0.55 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 1kta n ASP 751 N -4.18 1.54 0.00 1.42 5.75 -1.26 -4.86 116.55 114.96 1kta n ASP 751 Ca 0.13 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1kta n ASP 751 Cb 0.77 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1kta n ASP 751 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kta n GLY 752 N 0.69 1.19 3.69 6.12 0.00 -0.12 -5.03 105.19 111.73 1kta n GLY 752 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1kta n GLY 752 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kta s VAL 753 N -3.26 5.24 -0.04 1.61 1.01 -1.25 -4.79 120.40 118.91 1kta s VAL 753 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1kta s VAL 753 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1kta s VAL 753 CO 0.00 0.30 1.34 -0.22 0.00 0.00 0.00 175.10 176.52 1kta s LEU 754 N 1.01 4.29 0.10 3.92 2.96 -1.26 0.88 118.68 130.59 1kta s LEU 754 Ca 0.18 1.98 -0.04 0.00 -0.22 0.00 0.00 54.13 56.04 1kta s LEU 754 Cb -0.14 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1kta s LEU 754 CO 0.07 -0.69 0.10 -1.83 -1.32 0.00 0.00 176.35 172.67 1kta s GLU 755 N 2.55 0.85 -0.25 1.98 -1.05 0.10 -2.81 118.70 120.07 1kta s GLU 755 Ca 0.61 -1.22 -0.04 0.00 -0.15 0.00 0.00 54.97 54.17 1kta s GLU 755 Cb -0.28 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 1kta s GLU 755 CO 0.24 -0.24 -0.01 -1.17 0.95 0.00 0.00 175.26 175.02 1kta s LEU 756 N -2.95 3.24 0.16 1.83 2.96 -0.04 -2.17 118.68 121.70 1kta s LEU 756 Ca 0.13 -0.61 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1kta s LEU 756 Cb 0.06 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1kta s LEU 756 CO -0.05 -0.10 -0.23 0.54 -1.32 0.00 0.00 176.35 175.19 1kta s VAL 757 N 1.44 2.14 -0.01 1.68 0.11 -0.04 -2.00 120.40 123.72 1kta s VAL 757 Ca 0.03 -1.89 -0.16 0.00 -2.93 0.00 0.00 61.98 57.03 1kta s VAL 757 Cb -0.16 -1.97 0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1kta s VAL 757 CO -0.02 -0.11 0.35 0.28 -3.33 0.00 0.00 175.10 172.27 1kta s THR 758 N -1.55 0.05 0.52 5.04 -1.32 -1.03 -1.08 115.64 116.28 1kta s THR 758 Ca 0.16 -0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.98 1kta s THR 758 Cb -0.08 -0.69 -0.06 0.00 -1.51 0.00 0.00 72.50 70.16 1kta s THR 758 CO 0.08 -0.24 1.30 -2.65 -2.21 0.00 0.00 174.62 170.90 1kta n PRO 759 N 1.16 1.68 -1.84 7.08 -0.02 -1.24 -0.75 135.00 141.07 1kta n PRO 759 Ca -0.21 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1kta n PRO 759 Cb 0.56 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1kta n PRO 759 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kta s PRO 760 N -2.71 3.20 -1.07 0.52 0.04 -1.26 -4.69 135.00 129.02 1kta s PRO 760 Ca 0.69 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 1kta s PRO 760 Cb -0.44 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.09 1kta s PRO 760 CO 0.51 -0.84 1.60 -0.51 0.04 0.00 0.00 177.00 177.81 1kta s LEU 761 N -5.30 3.50 0.00 -3.56 1.43 -1.26 -4.69 118.68 108.80 1kta s LEU 761 Ca 0.57 -1.56 0.22 0.00 -1.03 0.00 0.00 54.13 52.33 1kta s LEU 761 Cb -0.11 -2.57 0.41 0.00 0.03 0.00 0.00 46.19 43.95 1kta s LEU 761 CO 0.53 -1.69 1.38 -0.46 0.23 0.00 0.00 176.35 176.35 1kta n ASN 762 N 9.75 3.42 0.00 2.29 6.94 -1.26 -4.93 115.26 131.47 1kta n ASN 762 Ca 0.38 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 1kta n ASN 762 Cb 0.49 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1kta n ASN 762 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kta n GLY 763 N 1.44 1.30 0.04 4.83 0.00 -1.26 -4.89 105.19 106.66 1kta n GLY 763 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1kta n GLY 763 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kta n VAL 764 N -1.28 0.34 -4.28 1.61 0.31 -1.26 -3.39 118.33 110.38 1kta n VAL 764 Ca 0.00 -0.57 -0.26 0.00 -0.01 0.00 0.00 64.34 63.50 1kta n VAL 764 Cb 0.00 -0.15 -0.09 0.00 -0.91 0.00 0.00 33.84 32.69 1kta n VAL 764 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1kta s ILE 765 N -3.32 3.26 0.11 2.52 -4.36 -1.26 -4.47 121.20 113.67 1kta s ILE 765 Ca -0.07 -1.66 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 1kta s ILE 765 Cb 0.12 -2.63 -0.06 0.00 1.25 0.00 0.00 42.46 41.14 1kta s ILE 765 CO 0.88 -0.14 1.09 -0.22 0.24 0.00 0.00 174.94 176.79 1kta s LEU 766 N -2.92 4.44 -1.05 0.37 2.96 -1.19 -4.09 118.68 117.19 1kta s LEU 766 Ca 0.26 1.95 -0.23 0.00 -0.22 0.00 0.00 54.13 55.90 1kta s LEU 766 Cb -0.09 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.03 1kta s LEU 766 CO 0.16 -0.27 1.69 -2.84 -1.32 0.00 0.00 176.35 173.77 1kta s PRO 767 N 0.30 3.25 0.41 0.98 0.02 -1.26 -4.95 135.00 133.75 1kta s PRO 767 Ca 0.52 -1.05 -0.26 0.00 0.02 0.00 0.00 61.00 60.23 1kta s PRO 767 Cb -0.27 -5.30 -0.09 0.00 0.02 0.00 0.00 34.50 28.87 1kta s PRO 767 CO 0.31 -2.75 1.33 0.20 -0.33 0.00 0.00 177.00 175.77 1kta s GLY 768 N 5.87 2.93 0.14 0.52 0.00 -1.26 -4.93 107.32 110.58 1kta s GLY 768 Ca 0.57 1.28 -0.11 0.00 0.00 0.00 0.00 44.72 46.46 1kta s GLY 768 CO -0.02 1.88 1.43 -2.08 0.00 0.00 0.00 173.10 174.31 1kta h VAL 769 N 2.47 1.27 -0.41 1.40 2.07 -1.96 -2.11 116.25 118.98 1kta h VAL 769 Ca -0.50 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.22 1kta h VAL 769 Cb 1.25 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1kta h VAL 769 CO 0.62 0.56 -0.13 0.58 0.02 0.00 0.00 177.57 179.22 1kta h VAL 770 N 0.68 1.28 -0.38 2.57 2.07 -1.91 -1.64 116.25 118.91 1kta h VAL 770 Ca 0.02 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1kta h VAL 770 Cb 1.12 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 1kta h VAL 770 CO 0.12 0.42 -0.05 -0.09 0.02 0.00 0.00 177.57 177.98 1kta h ARG 771 N 0.64 0.04 -0.81 1.57 2.43 -1.84 0.17 114.38 116.58 1kta h ARG 771 Ca 0.10 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1kta h ARG 771 Cb 0.68 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1kta h ARG 771 CO 0.05 0.03 0.37 0.37 -1.51 0.00 0.00 179.97 179.28 1kta h GLN 772 N 0.04 1.18 -0.27 0.20 5.75 -1.25 -1.64 115.11 119.12 1kta h GLN 772 Ca 0.19 -0.18 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 1kta h GLN 772 Cb 0.28 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1kta h GLN 772 CO -0.36 0.92 -0.16 0.77 -2.65 0.00 0.00 178.83 177.34 1kta h SER 773 N 1.16 0.46 0.27 -0.69 0.02 -0.20 -0.10 113.55 114.46 1kta h SER 773 Ca 0.28 -0.13 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 1kta h SER 773 Cb 0.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1kta h SER 773 CO -0.03 0.64 -0.91 -0.07 -1.14 0.00 0.00 176.83 175.32 1kta h LEU 774 N 0.43 0.58 -0.27 5.07 3.38 -0.45 -1.04 115.31 123.01 1kta h LEU 774 Ca 0.08 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1kta h LEU 774 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1kta h LEU 774 CO 0.03 1.24 0.14 -0.07 0.09 0.00 0.00 178.44 179.87 1kta h LEU 775 N 0.27 0.35 0.05 1.67 4.07 -0.98 -1.37 115.31 119.36 1kta h LEU 775 Ca -0.07 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.78 1kta h LEU 775 Cb 1.53 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 1kta h LEU 775 CO 0.16 0.36 -0.08 0.44 -1.08 0.00 0.00 178.44 178.25 1kta h ASP 776 N 0.31 -0.21 -0.06 -0.43 3.45 -0.89 -0.55 116.42 118.03 1kta h ASP 776 Ca 0.09 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1kta h ASP 776 Cb 0.10 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1kta h ASP 776 CO -0.01 -0.12 0.02 -0.03 -1.57 0.00 0.00 179.24 177.53 1kta h MET 777 N -0.16 0.05 -0.61 3.56 4.05 -1.18 -0.05 114.93 120.58 1kta h MET 777 Ca 0.01 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1kta h MET 777 Cb 0.17 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1kta h MET 777 CO -0.04 0.04 0.21 0.00 0.23 0.00 0.00 176.91 177.35 1kta h ALA 778 N 1.03 1.23 -0.13 0.39 0.00 -1.08 -2.01 119.26 118.69 1kta h ALA 778 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1kta h ALA 778 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1kta h ALA 778 CO -0.02 0.55 0.00 0.37 0.00 0.00 0.00 179.25 180.15 1kta h GLN 779 N 0.88 0.23 -0.71 0.00 4.15 -0.84 -2.79 115.11 116.03 1kta h GLN 779 Ca 0.20 -0.07 0.15 0.00 0.77 0.00 0.00 58.65 59.70 1kta h GLN 779 Cb 0.22 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.79 1kta h GLN 779 CO -0.01 0.46 0.20 1.15 -1.93 0.00 0.00 178.83 178.70 1kta h THR 780 N -0.04 0.58 -0.77 2.39 2.02 -0.65 -0.48 112.91 115.96 1kta h THR 780 Ca 0.04 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1kta h THR 780 Cb 0.36 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1kta h THR 780 CO 0.01 0.06 0.46 -0.50 0.37 0.00 0.00 175.52 175.91 1kta h TRP 781 N 0.31 0.84 -2.55 3.16 6.55 -1.12 -3.46 115.95 119.67 1kta h TRP 781 Ca 0.39 0.03 -0.28 0.00 0.95 0.00 0.00 58.89 59.98 1kta h TRP 781 Cb 0.64 -0.26 0.01 0.00 -0.86 0.00 0.00 29.16 28.68 1kta h TRP 781 CO -0.23 0.40 -0.39 0.41 -1.05 0.00 0.00 178.44 177.58 1kta n GLY 782 N -1.31 -0.18 0.01 1.49 0.00 -0.19 -4.91 105.19 100.10 1kta n GLY 782 Ca 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1kta n GLY 782 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kta n GLU 783 N -2.64 0.41 -3.78 1.61 1.02 -1.26 -5.02 120.64 110.98 1kta n GLU 783 Ca -0.13 -0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 56.81 1kta n GLU 783 Cb 0.61 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1kta n GLU 783 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1kta s PHE 784 N -3.32 -0.13 0.23 -0.32 -0.71 -1.26 -5.11 117.98 107.35 1kta s PHE 784 Ca -0.02 -0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 55.33 1kta s PHE 784 Cb 0.15 0.51 -0.09 0.00 -1.21 0.00 0.00 43.02 42.37 1kta s PHE 784 CO 0.89 -1.05 1.36 0.50 -1.34 0.00 0.00 175.22 175.58 1kta s ARG 785 N -3.90 4.34 -0.12 1.99 3.52 -1.12 -4.90 118.95 118.76 1kta s ARG 785 Ca 0.11 2.16 0.02 0.00 -0.13 0.00 0.00 55.73 57.88 1kta s ARG 785 Cb -0.03 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1kta s ARG 785 CO 0.01 -0.31 -0.17 0.08 -0.81 0.00 0.00 175.30 174.11 1kta s VAL 786 N -0.02 1.62 0.02 7.11 1.01 -1.26 -0.86 120.40 128.02 1kta s VAL 786 Ca 0.57 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 1kta s VAL 786 Cb -0.39 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1kta s VAL 786 CO 0.41 0.47 0.47 0.54 0.00 0.00 0.00 175.10 176.98 1kta s VAL 787 N 0.97 0.04 -0.30 2.92 0.11 -0.85 -4.99 120.40 118.31 1kta s VAL 787 Ca -0.06 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1kta s VAL 787 Cb -0.15 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1kta s VAL 787 CO -0.02 -0.18 0.11 -1.61 -3.33 0.00 0.00 175.10 170.07 1kta s GLU 788 N -2.02 3.28 0.04 1.54 2.02 -1.26 -2.45 118.70 119.85 1kta s GLU 788 Ca -0.08 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.92 1kta s GLU 788 Cb -0.01 -3.46 0.06 0.00 0.10 0.00 0.00 34.13 30.82 1kta s GLU 788 CO 0.01 -0.40 0.59 0.50 0.02 0.00 0.00 175.26 175.99 1kta s ARG 789 N 1.57 1.10 0.30 1.61 3.52 0.07 -4.65 118.95 122.46 1kta s ARG 789 Ca 0.04 -0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 1kta s ARG 789 Cb -0.17 0.51 -0.11 0.00 -1.56 0.00 0.00 34.95 33.63 1kta s ARG 789 CO 0.04 -0.40 1.47 0.99 -0.81 0.00 0.00 175.30 176.59 1kta s THR 790 N -2.36 2.37 -0.10 4.11 2.01 -1.26 -3.62 115.64 116.79 1kta s THR 790 Ca -0.06 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1kta s THR 790 Cb -0.01 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1kta s THR 790 CO -0.01 0.06 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.13 1kta s ILE 791 N -0.41 1.95 0.25 1.82 1.01 -1.26 -5.02 121.20 119.54 1kta s ILE 791 Ca 0.57 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 60.37 1kta s ILE 791 Cb -0.44 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1kta s ILE 791 CO 0.50 0.53 0.03 0.42 0.00 0.00 0.00 174.94 176.42 1kta s THR 792 N 0.47 3.64 0.30 2.92 -4.23 -1.26 -0.55 115.64 116.93 1kta s THR 792 Ca -0.16 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1kta s THR 792 Cb -0.17 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.95 1kta s THR 792 CO 0.06 -0.33 1.91 0.24 -0.54 0.00 0.00 174.62 175.96 1kta h MET 793 N 1.94 0.96 -0.97 3.99 2.86 -1.40 -1.79 114.93 120.51 1kta h MET 793 Ca -0.45 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.09 1kta h MET 793 Cb 1.24 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1kta h MET 793 CO 0.60 0.72 0.64 -0.22 1.06 0.00 0.00 176.91 179.71 1kta h LYS 794 N 0.96 1.25 -0.29 1.72 3.64 -1.84 -0.62 116.57 121.40 1kta h LYS 794 Ca 0.24 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1kta h LYS 794 Cb 0.05 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1kta h LYS 794 CO -0.04 0.83 -0.36 1.96 -2.27 0.00 0.00 179.45 179.58 1kta h GLN 795 N 1.29 0.65 -0.51 1.90 4.20 -1.79 -2.85 115.11 118.00 1kta h GLN 795 Ca 0.36 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1kta h GLN 795 Cb -0.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1kta h GLN 795 CO -0.09 0.91 0.18 1.25 -0.67 0.00 0.00 178.83 180.41 1kta h LEU 796 N 0.55 0.73 -0.34 1.46 6.46 -0.48 -1.93 115.31 121.76 1kta h LEU 796 Ca 0.05 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1kta h LEU 796 Cb 0.87 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1kta h LEU 796 CO 0.07 0.73 0.21 -0.07 -0.62 0.00 0.00 178.44 178.76 1kta h LEU 797 N 0.69 0.40 -0.97 2.25 3.38 -1.05 -0.61 115.31 119.40 1kta h LEU 797 Ca 0.17 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1kta h LEU 797 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1kta h LEU 797 CO -0.01 0.32 -0.24 -0.09 0.09 0.00 0.00 178.44 178.51 1kta h ARG 798 N 0.44 0.46 -0.51 1.13 2.43 -1.47 -2.14 114.38 114.72 1kta h ARG 798 Ca 0.12 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1kta h ARG 798 Cb -0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1kta h ARG 798 CO -0.02 0.67 -0.12 0.00 -1.51 0.00 0.00 179.97 178.98 1kta h ALA 799 N 1.34 0.71 -0.32 2.80 0.00 -1.01 -2.53 119.26 120.25 1kta h ALA 799 Ca 0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1kta h ALA 799 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1kta h ALA 799 CO 0.05 0.63 -0.28 -0.07 0.00 0.00 0.00 179.25 179.58 1kta h LEU 800 N 0.86 0.68 -0.56 0.00 3.38 -0.89 0.62 115.31 119.39 1kta h LEU 800 Ca 0.13 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1kta h LEU 800 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1kta h LEU 800 CO 0.05 0.93 0.05 -0.33 0.09 0.00 0.00 178.44 179.23 1kta h GLU 801 N 0.57 0.96 -0.04 1.13 4.39 -1.30 -2.53 114.58 117.75 1kta h GLU 801 Ca 0.07 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1kta h GLU 801 Cb 0.77 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1kta h GLU 801 CO 0.06 0.94 0.00 0.39 -1.16 0.00 0.00 179.01 179.24 1kta n GLU 802 N -4.30 1.16 -2.22 2.33 1.02 -0.96 -4.89 120.64 112.78 1kta n GLU 802 Ca 0.02 -0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 56.76 1kta n GLU 802 Cb 0.30 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 1kta n GLU 802 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kta n GLY 803 N 0.81 -0.12 0.05 0.62 0.00 -0.96 -4.92 105.19 100.68 1kta n GLY 803 Ca 0.12 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1kta n GLY 803 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kta n ARG 804 N -2.46 0.26 -2.84 1.61 1.74 0.17 -4.87 116.66 110.28 1kta n ARG 804 Ca -0.18 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1kta n ARG 804 Cb 0.63 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1kta n ARG 804 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1kta s VAL 805 N -3.16 4.87 -0.26 1.55 1.01 -1.24 -0.72 120.40 122.45 1kta s VAL 805 Ca 0.06 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 1kta s VAL 805 Cb 0.14 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1kta s VAL 805 CO 0.74 0.05 -0.27 0.54 0.00 0.00 0.00 175.10 176.17 1kta n ARG 806 N 4.91 0.58 -3.80 2.72 1.74 0.12 -4.80 116.66 118.13 1kta n ARG 806 Ca 0.05 0.31 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1kta n ARG 806 Cb 0.49 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1kta n ARG 806 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1kta s GLU 807 N -2.51 0.53 -0.01 5.56 2.02 -0.87 -3.72 118.70 119.71 1kta s GLU 807 Ca -0.37 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1kta s GLU 807 Cb 0.13 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.60 1kta s GLU 807 CO 0.50 -0.13 -0.03 0.08 0.02 0.00 0.00 175.26 175.70 1kta s VAL 808 N -1.04 0.30 0.12 2.63 1.01 -1.26 -0.25 120.40 121.91 1kta s VAL 808 Ca -0.11 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1kta s VAL 808 Cb -0.05 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.08 1kta s VAL 808 CO 0.03 0.12 0.51 0.72 0.00 0.00 0.00 175.10 176.47 1kta s PHE 809 N 0.32 -0.39 0.24 5.22 -0.71 -0.78 -1.57 117.98 120.30 1kta s PHE 809 Ca -0.03 0.20 0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1kta s PHE 809 Cb -0.06 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1kta s PHE 809 CO -0.01 -0.75 0.33 0.20 -1.34 0.00 0.00 175.22 173.65 1kta s GLY 810 N -2.59 1.28 -0.02 1.99 0.00 -0.33 -0.68 107.32 106.97 1kta s GLY 810 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1kta s GLY 810 CO -0.10 -1.27 -0.07 -1.35 0.00 0.00 0.00 173.10 170.30 1kta s SER 811 N -3.90 1.03 0.04 1.64 1.04 0.78 -0.71 113.70 113.61 1kta s SER 811 Ca 0.34 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 1kta s SER 811 Cb -0.09 -0.27 0.10 0.00 0.10 0.00 0.00 66.02 65.86 1kta s SER 811 CO 0.28 0.05 1.19 -0.83 0.98 0.00 0.00 173.24 174.91 1kta s GLY 812 N 0.22 -0.35 0.29 7.32 0.00 -1.00 -1.08 107.32 112.72 1kta s GLY 812 Ca -0.03 0.50 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1kta s GLY 812 CO 0.00 0.19 1.78 -0.84 0.00 0.00 0.00 173.10 174.24 1kta h THR 813 N 2.00 1.24 0.08 0.90 2.02 -1.91 -1.45 112.91 115.79 1kta h THR 813 Ca -0.29 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1kta h THR 813 Cb 1.21 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1kta h THR 813 CO 0.28 0.34 -0.04 0.00 0.37 0.00 0.00 175.52 176.47 1kta h ALA 814 N 1.35 -0.11 -3.02 6.16 0.00 -1.96 -3.38 119.26 118.31 1kta h ALA 814 Ca 0.10 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 54.19 1kta h ALA 814 Cb 0.50 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.93 1kta h ALA 814 CO 0.03 -0.33 -0.75 0.00 0.00 0.00 0.00 179.25 178.19 1kta h GLN 816 N 7.12 -0.02 -3.29 0.00 4.20 -1.45 -2.66 115.11 119.01 1kta h GLN 816 Ca -0.04 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.18 1kta h GLN 816 Cb 0.95 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.34 1kta h GLN 816 CO 0.46 -0.01 -0.76 0.08 -0.67 0.00 0.00 178.83 177.93 1kta s VAL 817 N -6.21 0.24 -0.35 -0.54 1.01 -1.26 -2.75 120.40 110.53 1kta s VAL 817 Ca -0.14 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1kta s VAL 817 Cb 0.19 -0.84 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1kta s VAL 817 CO 0.73 -0.28 0.11 0.00 0.00 0.00 0.00 175.10 175.66 1kta s PRO 819 N 1.25 2.54 -0.08 0.00 0.04 -1.26 -1.18 135.00 136.31 1kta s PRO 819 Ca 0.01 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1kta s PRO 819 Cb -0.21 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1kta s PRO 819 CO -0.01 -1.53 -0.23 0.08 0.04 0.00 0.00 177.00 175.35 1kta s VAL 820 N -1.81 1.94 -0.02 -0.36 1.01 -0.61 -1.03 120.40 119.51 1kta s VAL 820 Ca 0.76 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1kta s VAL 820 Cb -0.30 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1kta s VAL 820 CO 0.40 0.54 0.10 0.00 0.00 0.00 0.00 175.10 176.13 1kta n HIS 821 N 3.35 0.00 -3.66 5.22 1.44 -0.87 -4.28 115.22 116.42 1kta n HIS 821 Ca -0.19 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 1kta n HIS 821 Cb 0.53 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 1kta n HIS 821 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1kta s ARG 822 N -0.86 0.75 -0.06 -1.40 3.52 -1.24 -0.40 118.95 119.26 1kta s ARG 822 Ca 0.00 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 1kta s ARG 822 Cb 0.00 0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.77 1kta s ARG 822 CO 0.01 -0.14 -0.05 0.42 -0.81 0.00 0.00 175.30 174.73 1kta s ILE 823 N -0.14 0.64 -0.41 4.11 1.01 -0.69 -0.86 121.20 124.87 1kta s ILE 823 Ca -0.03 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 1kta s ILE 823 Cb -0.03 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.78 1kta s ILE 823 CO 0.03 0.26 0.33 -0.22 0.00 0.00 0.00 174.94 175.35 1kta s LEU 824 N 1.14 5.06 -0.12 2.97 2.96 0.51 -0.39 118.68 130.81 1kta s LEU 824 Ca -0.07 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1kta s LEU 824 Cb -0.14 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1kta s LEU 824 CO -0.01 -0.48 -0.15 -0.47 -1.32 0.00 0.00 176.35 173.91 1kta s TYR 825 N 1.79 2.04 -1.47 5.38 6.14 -1.00 -1.03 117.35 129.20 1kta s TYR 825 Ca 0.07 -1.00 -0.07 0.00 0.64 0.00 0.00 57.07 56.71 1kta s TYR 825 Cb -0.19 -1.47 0.03 0.00 0.42 0.00 0.00 41.96 40.75 1kta s TYR 825 CO 0.11 -0.52 0.67 1.63 0.64 0.00 0.00 175.55 178.08 1kta n LYS 826 N 4.31 -4.90 -0.61 4.97 4.76 -1.26 -1.92 118.16 123.51 1kta n LYS 826 Ca -0.19 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1kta n LYS 826 Cb 0.51 -5.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.08 1kta n LYS 826 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1kta n ASP 827 N -2.54 0.00 -4.27 4.39 8.00 -1.26 -5.01 116.55 115.86 1kta n ASP 827 Ca -0.06 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 1kta n ASP 827 Cb 0.59 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.35 1kta n ASP 827 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1kta s ARG 828 N -0.06 3.29 -0.04 -1.24 3.52 -0.81 -5.10 118.95 118.52 1kta s ARG 828 Ca 0.00 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 1kta s ARG 828 Cb 0.00 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1kta s ARG 828 CO 0.00 -0.17 1.20 -0.80 -0.81 0.00 0.00 175.30 174.72 1kta s ASN 829 N 1.35 7.06 -0.20 -2.12 0.01 -1.26 -2.37 114.94 117.41 1kta s ASN 829 Ca 0.04 1.83 -0.08 0.00 -0.71 0.00 0.00 52.86 53.94 1kta s ASN 829 Cb -0.14 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1kta s ASN 829 CO -0.05 -0.57 0.09 -0.76 -1.51 0.00 0.00 177.10 174.30 1kta s LEU 830 N 2.09 3.88 -0.05 0.60 1.43 0.47 -4.96 118.68 122.14 1kta s LEU 830 Ca 0.56 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 1kta s LEU 830 Cb -0.25 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1kta s LEU 830 CO 0.23 0.13 0.69 -2.28 0.23 0.00 0.00 176.35 175.35 1kta s HIS 831 N 0.62 3.61 -0.33 0.29 5.65 -1.26 -1.70 115.29 122.16 1kta s HIS 831 Ca 0.05 1.26 -0.08 0.00 0.25 0.00 0.00 55.06 56.54 1kta s HIS 831 Cb -0.13 -2.78 0.02 0.00 -1.18 0.00 0.00 32.58 28.51 1kta s HIS 831 CO 0.01 0.14 0.13 0.42 -0.65 0.00 0.00 174.74 174.79 1kta s ILE 832 N 0.59 4.14 -0.79 0.89 -1.09 0.47 -4.96 121.20 120.46 1kta s ILE 832 Ca 0.37 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1kta s ILE 832 Cb -0.18 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1kta s ILE 832 CO 0.18 -0.09 0.18 -0.81 -1.23 0.00 0.00 174.94 173.17 1kta n PRO 833 N 4.90 0.30 0.10 2.79 -0.04 -1.26 -4.44 135.00 137.34 1kta n PRO 833 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 1kta n PRO 833 Cb 0.46 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 1kta n PRO 833 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1kta h THR 834 N 0.15 0.16 0.00 0.52 2.02 -1.74 -2.44 112.91 111.57 1kta h THR 834 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1kta h THR 834 Cb 0.18 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1kta h THR 834 CO 0.00 0.00 -0.17 0.24 0.37 0.00 0.00 175.52 175.96 1kta h MET 835 N -0.62 0.00 0.00 6.66 2.86 -1.85 -1.80 114.93 120.18 1kta h MET 835 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1kta h MET 835 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1kta h MET 835 CO -0.27 0.17 0.00 -0.85 1.06 0.00 0.00 176.91 177.02 1kta n GLU 836 N -4.04 0.67 -0.56 1.72 0.00 -0.93 -2.58 120.64 114.93 1kta n GLU 836 Ca -0.02 0.02 0.07 0.00 0.00 0.00 0.00 57.16 57.22 1kta n GLU 836 Cb 0.25 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.47 1kta n GLU 836 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1kta n ASN 837 N -1.10 4.11 0.00 -1.84 3.02 -0.68 -4.99 115.26 113.79 1kta n ASN 837 Ca 0.17 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1kta n ASN 837 Cb 0.13 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1kta n ASN 837 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kta n GLY 838 N -0.38 2.05 3.60 7.41 0.00 -1.06 -0.98 105.19 115.83 1kta n GLY 838 Ca 0.24 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1kta n GLY 838 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kta s PRO 839 N 0.00 3.75 0.07 1.61 0.04 -1.26 -4.90 135.00 134.31 1kta s PRO 839 Ca 0.00 0.62 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 1kta s PRO 839 Cb 0.00 -3.90 -0.16 0.00 0.04 0.00 0.00 34.50 30.48 1kta s PRO 839 CO 0.00 -1.35 1.65 1.49 0.04 0.00 0.00 177.00 178.83 1kta h GLU 840 N 9.18 -0.15 0.24 4.56 4.81 -1.37 -1.66 114.58 130.19 1kta h GLU 840 Ca -0.23 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1kta h GLU 840 Cb 1.06 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1kta h GLU 840 CO 1.12 -0.04 -0.12 1.25 -0.73 0.00 0.00 179.01 180.49 1kta h LEU 841 N -0.23 -0.27 -0.81 1.64 5.85 -1.99 -2.21 115.31 117.29 1kta h LEU 841 Ca -0.02 -0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.81 1kta h LEU 841 Cb 0.18 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 1kta h LEU 841 CO 0.03 -0.11 0.32 0.40 -0.34 0.00 0.00 178.44 178.73 1kta h ILE 842 N -0.43 0.56 -0.56 4.05 2.04 -1.96 0.13 117.51 121.34 1kta h ILE 842 Ca -0.03 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1kta h ILE 842 Cb 0.32 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1kta h ILE 842 CO 0.05 0.07 -0.07 -0.07 0.00 0.00 0.00 178.15 178.14 1kta h LEU 843 N 0.40 1.03 -0.49 1.44 3.38 -1.12 -1.51 115.31 118.45 1kta h LEU 843 Ca 0.47 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1kta h LEU 843 Cb 0.81 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1kta h LEU 843 CO -0.48 1.12 -0.04 -0.09 0.09 0.00 0.00 178.44 179.05 1kta h ARG 844 N 0.92 0.89 -0.40 1.13 2.43 -0.67 -1.56 114.38 117.13 1kta h ARG 844 Ca 0.15 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1kta h ARG 844 Cb 0.64 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1kta h ARG 844 CO 0.04 0.94 0.20 0.74 -1.51 0.00 0.00 179.97 180.39 1kta h PHE 845 N 0.75 0.38 -0.88 2.20 0.05 -0.92 0.17 116.94 118.69 1kta h PHE 845 Ca 0.13 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.92 1kta h PHE 845 Cb 0.57 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.37 1kta h PHE 845 CO 0.04 0.20 0.47 1.96 -0.18 0.00 0.00 178.31 180.81 1kta h GLN 846 N 0.42 1.23 0.03 1.51 4.20 -1.08 -0.37 115.11 121.04 1kta h GLN 846 Ca 0.17 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1kta h GLN 846 Cb 0.06 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1kta h GLN 846 CO -0.11 0.90 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.72 1kta h LYS 847 N 1.23 -0.04 -0.57 1.46 3.64 -0.94 0.97 116.57 122.32 1kta h LYS 847 Ca 0.31 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1kta h LYS 847 Cb 0.04 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1kta h LYS 847 CO -0.05 0.35 0.23 1.49 -2.27 0.00 0.00 179.45 179.21 1kta h GLU 848 N -0.44 0.43 -0.72 1.90 4.81 -0.78 0.39 114.58 120.17 1kta h GLU 848 Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1kta h GLU 848 Cb 0.41 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1kta h GLU 848 CO 0.01 0.28 0.30 -0.07 -0.73 0.00 0.00 179.01 178.80 1kta h LEU 849 N 0.44 0.98 -0.05 1.64 3.38 -0.96 -1.31 115.31 119.43 1kta h LEU 849 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1kta h LEU 849 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kta h LEU 849 CO -0.25 0.88 0.03 0.50 0.09 0.00 0.00 178.44 179.69 1kta h LYS 850 N 1.03 0.06 -0.76 1.13 3.64 0.15 0.46 116.57 122.29 1kta h LYS 850 Ca 0.24 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1kta h LYS 850 Cb 0.19 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1kta h LYS 850 CO -0.02 0.04 0.50 0.93 -2.27 0.00 0.00 179.45 178.63 1kta h GLU 851 N 0.06 0.86 0.08 1.90 5.08 -0.69 0.38 114.58 122.25 1kta h GLU 851 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1kta h GLU 851 Cb -0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1kta h GLU 851 CO -0.00 0.57 -0.04 0.82 -1.00 0.00 0.00 179.01 179.36 1kta h ILE 852 N 0.89 1.08 -0.67 3.13 2.04 -0.83 -1.92 117.51 121.23 1kta h ILE 852 Ca 0.31 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1kta h ILE 852 Cb 0.11 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1kta h ILE 852 CO -0.09 0.32 0.23 1.56 0.00 0.00 0.00 178.15 180.16 1kta h GLN 853 N -0.87 1.01 -0.87 2.37 4.20 0.11 -2.71 115.11 118.34 1kta h GLN 853 Ca -0.01 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1kta h GLN 853 Cb 0.60 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1kta h GLN 853 CO 0.02 0.85 0.05 0.66 -0.67 0.00 0.00 178.83 179.74 1kta n TYR 854 N -4.28 0.89 -1.31 2.96 4.02 0.11 -4.73 117.16 114.81 1kta n TYR 854 Ca 0.06 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.90 57.41 1kta n TYR 854 Cb 0.20 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 1kta n TYR 854 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kta n GLY 855 N 0.17 1.12 0.18 2.72 0.00 -1.02 -4.45 105.19 103.91 1kta n GLY 855 Ca 0.13 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1kta n GLY 855 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1kta h ILE 856 N 0.00 0.00 -3.26 -0.61 3.07 -1.60 -3.41 117.51 111.69 1kta h ILE 856 Ca -0.22 -0.67 -0.31 0.00 1.55 0.00 0.00 64.86 65.21 1kta h ILE 856 Cb 0.94 1.64 -0.36 0.00 -0.27 0.00 0.00 36.82 38.78 1kta h ILE 856 CO 0.32 0.00 -0.68 0.00 -1.05 0.00 0.00 178.15 176.75 1kta s ARG 857 N -3.25 -0.00 0.51 0.16 1.70 -1.05 -5.04 118.95 111.98 1kta s ARG 857 Ca 0.07 0.41 -0.21 0.00 -0.47 0.00 0.00 55.73 55.53 1kta s ARG 857 Cb 0.09 -0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.06 1kta s ARG 857 CO 0.60 -0.26 0.89 0.00 -1.08 0.00 0.00 175.30 175.45 1kta n ALA 858 N 4.90 -0.11 -3.64 7.88 0.00 -1.26 -4.55 120.51 123.72 1kta n ALA 858 Ca -0.13 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1kta n ALA 858 Cb 0.50 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 1kta n ALA 858 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1kta s HIS 859 N -1.44 -0.47 -0.02 0.00 5.04 -1.26 -5.02 115.29 112.12 1kta s HIS 859 Ca 0.68 1.02 0.28 0.00 -1.54 0.00 0.00 55.06 55.50 1kta s HIS 859 Cb -0.49 0.35 1.46 0.00 0.04 0.00 0.00 32.58 33.93 1kta s HIS 859 CO 0.53 -0.23 1.85 1.05 -2.34 0.00 0.00 174.74 175.60 1kta h GLU 860 N 5.10 0.00 0.00 2.88 4.11 -2.01 -2.16 114.58 122.51 1kta h GLU 860 Ca -0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.11 1kta h GLU 860 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1kta h GLU 860 CO 0.16 0.00 -0.20 -1.49 0.07 0.00 0.00 179.01 177.56 1kta h TRP 861 N 0.00 0.00 -3.45 2.06 6.55 -1.96 -3.45 115.95 115.70 1kta h TRP 861 Ca 0.00 0.00 -0.54 0.00 0.95 0.00 0.00 58.89 59.30 1kta h TRP 861 Cb 0.07 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 1kta h TRP 861 CO 0.00 0.20 0.04 -1.64 -1.05 0.00 0.00 178.44 175.99 1kta s MET 862 N -3.83 4.19 -0.22 0.49 -1.94 -0.81 -0.25 119.30 116.93 1kta s MET 862 Ca -0.01 0.77 0.01 0.00 -1.71 0.00 0.00 55.69 54.76 1kta s MET 862 Cb 0.11 -2.98 0.04 0.00 2.01 0.00 0.00 34.83 34.01 1kta s MET 862 CO 0.62 0.47 -0.15 0.12 -0.01 0.00 0.00 175.02 176.06 1kta s PHE 863 N -1.42 2.99 0.25 -0.03 5.36 0.22 -4.93 117.98 120.42 1kta s PHE 863 Ca 0.39 -1.89 -0.31 0.00 -0.96 0.00 0.00 56.93 54.16 1kta s PHE 863 Cb -0.17 -1.94 -0.12 0.00 -0.34 0.00 0.00 43.02 40.45 1kta s PHE 863 CO 0.21 -0.83 1.66 -2.30 -1.46 0.00 0.00 175.22 172.50 1kta n PRO 864 N 4.56 2.74 -0.16 10.12 -0.02 -1.26 -0.29 135.00 150.69 1kta n PRO 864 Ca -0.18 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1kta n PRO 864 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1kta n PRO 864 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81