#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dee s VAL 502 N 0.00 3.51 -0.06 5.09 1.01 -1.26 -4.18 120.40 124.52 1dee s VAL 502 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1dee s VAL 502 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1dee s VAL 502 CO 0.00 -0.06 -0.13 -1.58 0.00 0.00 0.00 175.10 173.33 1dee s GLN 503 N 4.09 1.68 -0.09 2.72 0.74 0.17 -4.99 119.66 123.98 1dee s GLN 503 Ca 0.75 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 55.72 1dee s GLN 503 Cb -0.34 -1.41 0.01 0.00 1.10 0.00 0.00 33.01 32.37 1dee s GLN 503 CO 0.31 0.10 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.47 1dee s LEU 504 N 0.43 1.80 -0.18 3.68 1.43 -1.26 -0.88 118.68 123.70 1dee s LEU 504 Ca -0.11 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1dee s LEU 504 Cb -0.14 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1dee s LEU 504 CO 0.03 0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 175.96 1dee s VAL 505 N 0.66 0.98 0.49 -1.59 1.01 -0.49 -3.98 120.40 117.49 1dee s VAL 505 Ca -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1dee s VAL 505 Cb -0.16 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1dee s VAL 505 CO 0.04 -0.01 0.84 -1.61 0.00 0.00 0.00 175.10 174.36 1dee s GLU 506 N 1.67 3.62 0.15 2.72 8.01 -1.25 -0.93 118.70 132.69 1dee s GLU 506 Ca -0.01 0.40 -0.24 0.00 0.01 0.00 0.00 54.97 55.13 1dee s GLU 506 Cb -0.16 -2.31 0.06 0.00 -4.31 0.00 0.00 34.13 27.41 1dee s GLU 506 CO -0.07 -0.24 0.78 -1.54 0.01 0.00 0.00 175.26 174.19 1dee s SER 507 N -3.86 -0.36 0.00 -0.19 1.04 0.44 -4.81 113.70 105.97 1dee s SER 507 Ca 0.50 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1dee s SER 507 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1dee s SER 507 CO 0.43 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1dee n GLY 508 N -0.39 0.66 3.76 7.32 0.00 -1.26 -0.74 105.19 114.54 1dee n GLY 508 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1dee n GLY 508 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dee s GLY 509 N -1.77 2.25 -0.02 -0.02 0.00 -1.26 -4.57 107.32 101.93 1dee s GLY 509 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.25 1dee s GLY 509 CO 0.00 1.04 0.64 0.61 0.00 0.00 0.00 173.10 175.39 1dee n GLY 510 N -0.19 0.40 3.72 0.20 0.00 -0.95 -4.93 105.19 103.43 1dee n GLY 510 Ca 0.11 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 1dee n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dee s VAL 511 N -2.07 5.33 -0.01 1.61 1.01 -1.26 -1.43 120.40 123.58 1dee s VAL 511 Ca 0.15 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.41 1dee s VAL 511 Cb -0.00 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1dee s VAL 511 CO -0.01 0.39 0.32 -0.69 0.00 0.00 0.00 175.10 175.11 1dee s VAL 512 N 0.53 0.06 0.45 2.92 1.01 -0.19 -4.99 120.40 120.19 1dee s VAL 512 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1dee s VAL 512 Cb -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1dee s VAL 512 CO 0.02 -0.26 0.77 -1.10 0.00 0.00 0.00 175.10 174.54 1dee s GLN 513 N -1.32 3.61 0.70 2.72 -0.21 -1.23 -1.11 119.66 122.81 1dee s GLN 513 Ca -0.14 0.26 -0.16 0.00 0.02 0.00 0.00 55.36 55.34 1dee s GLN 513 Cb -0.05 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1dee s GLN 513 CO 0.04 -0.14 0.83 -2.30 -2.12 0.00 0.00 175.29 171.61 1dee n PRO 514 N -1.93 0.51 0.00 2.91 -0.02 -1.26 -2.10 135.00 133.11 1dee n PRO 514 Ca 0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1dee n PRO 514 Cb 0.55 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1dee n PRO 514 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dee n GLY 515 N 1.30 2.61 3.65 -1.23 0.00 0.24 -4.93 105.19 106.84 1dee n GLY 515 Ca 0.12 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1dee n GLY 515 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dee s LYS 516 N 0.00 -0.65 0.23 1.61 3.01 -0.89 -3.84 119.74 119.21 1dee s LYS 516 Ca 0.00 -0.01 0.08 0.00 -1.01 0.00 0.00 55.97 55.04 1dee s LYS 516 Cb 0.00 -1.66 -0.05 0.00 -1.01 0.00 0.00 37.83 35.11 1dee s LYS 516 CO 0.00 -3.34 -0.14 -1.12 0.51 0.00 0.00 175.35 171.26 1dee s SER 517 N -3.95 2.78 0.07 2.83 0.01 -1.26 -1.68 113.70 112.50 1dee s SER 517 Ca 0.70 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 1dee s SER 517 Cb -0.11 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1dee s SER 517 CO 0.56 -0.17 0.35 -0.22 0.41 0.00 0.00 173.24 174.17 1dee s LEU 518 N -3.37 0.67 -0.15 2.44 2.96 0.09 -5.01 118.68 116.31 1dee s LEU 518 Ca 0.25 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1dee s LEU 518 Cb -0.01 1.56 0.05 0.00 0.50 0.00 0.00 46.19 48.30 1dee s LEU 518 CO 0.09 -0.71 0.05 -0.60 -1.32 0.00 0.00 176.35 173.86 1dee s ARG 519 N -3.05 0.33 0.29 1.98 3.52 -1.26 -0.45 118.95 120.32 1dee s ARG 519 Ca -0.02 -0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 55.40 1dee s ARG 519 Cb 0.01 -1.63 -0.06 0.00 -1.56 0.00 0.00 34.95 31.71 1dee s ARG 519 CO -0.06 -0.56 0.60 -0.51 -0.81 0.00 0.00 175.30 173.95 1dee s LEU 520 N 2.02 4.05 0.05 -0.88 1.43 -0.13 -4.56 118.68 120.67 1dee s LEU 520 Ca 0.02 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1dee s LEU 520 Cb -0.15 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1dee s LEU 520 CO -0.07 -0.19 -0.15 -0.44 0.23 0.00 0.00 176.35 175.72 1dee s SER 521 N -2.86 1.81 -0.22 2.29 0.01 0.08 -2.11 113.70 112.70 1dee s SER 521 Ca 0.47 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 1dee s SER 521 Cb -0.11 -0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.09 1dee s SER 521 CO 0.27 0.02 0.08 0.00 0.41 0.00 0.00 173.24 174.02 1dee s ALA 523 N 1.98 3.51 0.15 0.00 0.00 -0.11 -0.81 121.76 126.50 1dee s ALA 523 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1dee s ALA 523 Cb -0.16 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1dee s ALA 523 CO -0.17 -1.19 0.36 0.00 0.00 0.00 0.00 175.76 174.76 1dee s ALA 524 N 2.80 3.84 0.04 0.00 0.00 -0.34 -1.39 121.76 126.70 1dee s ALA 524 Ca 0.28 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 1dee s ALA 524 Cb -0.14 -2.03 0.09 0.00 0.00 0.00 0.00 23.12 21.03 1dee s ALA 524 CO 0.13 0.60 0.76 -1.54 0.00 0.00 0.00 175.76 175.71 1dee s SER 525 N -2.73 -0.48 0.00 0.00 1.04 -0.06 -4.87 113.70 106.60 1dee s SER 525 Ca 0.39 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1dee s SER 525 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1dee s SER 525 CO 0.27 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1dee n GLY 526 N -0.05 0.80 3.49 7.32 0.00 -1.26 -0.65 105.19 114.84 1dee n GLY 526 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1dee n GLY 526 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dee s PHE 527 N -3.19 -0.27 -1.20 1.61 -0.71 -1.26 -4.38 117.98 108.59 1dee s PHE 527 Ca 0.00 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 1dee s PHE 527 Cb 0.00 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1dee s PHE 527 CO 0.00 -0.89 1.86 0.99 -1.34 0.00 0.00 175.22 175.84 1dee s THR 528 N -3.83 3.73 0.30 -4.49 2.01 -1.26 -4.79 115.64 107.30 1dee s THR 528 Ca 0.06 -1.19 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 1dee s THR 528 Cb -0.01 -4.75 0.39 0.00 0.01 0.00 0.00 72.50 68.14 1dee s THR 528 CO -0.07 -1.33 1.59 0.15 -0.69 0.00 0.00 174.62 174.27 1dee h PHE 529 N 9.16 -0.05 0.00 4.92 3.57 -1.94 0.18 116.94 132.77 1dee h PHE 529 Ca 0.28 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1dee h PHE 529 Cb 0.92 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1dee h PHE 529 CO 1.28 -0.39 0.00 0.66 -2.23 0.00 0.00 178.31 177.63 1dee h SER 530 N 0.04 0.00 0.47 0.41 4.64 -1.87 -2.60 113.55 114.64 1dee h SER 530 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1dee h SER 530 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1dee h SER 530 CO -0.87 0.00 -0.27 0.61 -0.87 0.00 0.00 176.83 175.43 1dee n GLY 531 N -0.77 -1.04 3.39 -0.77 0.00 0.61 -4.58 105.19 102.03 1dee n GLY 531 Ca -0.02 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1dee n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dee s TYR 532 N -2.74 1.96 0.41 1.61 1.51 -0.98 -4.84 117.35 114.28 1dee s TYR 532 Ca 0.19 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1dee s TYR 532 Cb 0.19 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 1dee s TYR 532 CO 0.57 0.48 0.74 0.20 -1.11 0.00 0.00 175.55 176.44 1dee s GLY 533 N -3.22 1.80 0.11 0.71 0.00 -1.26 -3.64 107.32 101.82 1dee s GLY 533 Ca 0.24 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.68 1dee s GLY 533 CO 0.10 -0.17 -0.17 1.06 0.00 0.00 0.00 173.10 173.92 1dee s MET 534 N -4.06 1.02 0.14 2.90 1.00 -0.25 -2.78 119.30 117.27 1dee s MET 534 Ca 0.49 -1.15 0.07 0.00 0.00 0.00 0.00 55.69 55.10 1dee s MET 534 Cb -0.10 -1.08 -0.04 0.00 0.00 0.00 0.00 34.83 33.61 1dee s MET 534 CO 0.35 0.23 -0.16 -1.01 0.00 0.00 0.00 175.02 174.43 1dee s HIS 535 N -1.57 1.58 -0.16 -0.03 3.76 0.11 -0.79 115.29 118.18 1dee s HIS 535 Ca 0.06 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1dee s HIS 535 Cb -0.08 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.81 1dee s HIS 535 CO 0.04 0.22 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.38 1dee s TRP 536 N -2.05 2.75 -0.09 1.40 0.52 0.11 0.38 118.94 121.95 1dee s TRP 536 Ca 0.11 -1.36 0.03 0.00 0.02 0.00 0.00 56.10 54.90 1dee s TRP 536 Cb -0.05 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 1dee s TRP 536 CO 0.04 -0.65 -0.18 0.08 0.02 0.00 0.00 176.95 176.27 1dee s VAL 537 N 1.02 1.59 0.24 4.03 1.01 0.16 -0.18 120.40 128.28 1dee s VAL 537 Ca -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1dee s VAL 537 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1dee s VAL 537 CO -0.05 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.59 1dee s ARG 538 N 0.65 2.61 -0.22 2.72 1.70 0.59 -0.34 118.95 126.66 1dee s ARG 538 Ca -0.14 -1.18 -0.04 0.00 -0.47 0.00 0.00 55.73 53.91 1dee s ARG 538 Cb -0.16 -2.39 0.08 0.00 -0.57 0.00 0.00 34.95 31.90 1dee s ARG 538 CO 0.04 0.40 0.10 -1.14 -1.08 0.00 0.00 175.30 173.62 1dee s GLN 539 N -3.57 0.23 0.64 3.89 0.74 -0.42 0.34 119.66 121.51 1dee s GLN 539 Ca 0.31 -0.34 -0.18 0.00 0.05 0.00 0.00 55.36 55.20 1dee s GLN 539 Cb -0.08 -1.67 -0.01 0.00 1.10 0.00 0.00 33.01 32.35 1dee s GLN 539 CO 0.22 -0.80 1.27 0.00 -0.55 0.00 0.00 175.29 175.44 1dee s ALA 540 N 2.05 2.38 -0.25 1.58 0.00 -1.25 -1.99 121.76 124.29 1dee s ALA 540 Ca 0.04 1.16 -0.35 0.00 0.00 0.00 0.00 51.96 52.81 1dee s ALA 540 Cb -0.16 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.31 1dee s ALA 540 CO -0.19 -1.55 2.04 -2.30 0.00 0.00 0.00 175.76 173.76 1dee n PRO 541 N -1.91 1.48 -1.68 0.00 -0.02 -1.26 -1.41 135.00 130.20 1dee n PRO 541 Ca 0.15 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 62.03 1dee n PRO 541 Cb 0.48 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1dee n PRO 541 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dee n GLY 542 N 5.50 0.53 0.66 -1.23 0.00 -1.26 -5.01 105.19 104.38 1dee n GLY 542 Ca 0.33 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1dee n GLY 542 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dee n LYS 543 N -2.28 0.80 -1.89 1.61 5.02 -0.50 -5.16 118.16 115.77 1dee n LYS 543 Ca -0.09 -0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 55.26 1dee n LYS 543 Cb 0.41 0.39 0.18 0.00 -0.02 0.00 0.00 35.03 35.98 1dee n LYS 543 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dee n GLY 544 N 1.57 -1.09 3.76 0.72 0.00 -1.26 -4.65 105.19 104.24 1dee n GLY 544 Ca -0.01 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1dee n GLY 544 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dee s LEU 545 N 0.00 4.53 -0.06 0.99 1.43 -1.26 -3.83 118.68 120.48 1dee s LEU 545 Ca 0.68 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1dee s LEU 545 Cb -0.02 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1dee s LEU 545 CO 0.48 0.08 -0.03 -0.70 0.23 0.00 0.00 176.35 176.40 1dee s GLU 546 N -1.51 0.82 0.02 1.70 2.12 0.15 -4.99 118.70 117.01 1dee s GLU 546 Ca 0.44 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 1dee s GLU 546 Cb -0.23 -0.94 -0.05 0.00 0.26 0.00 0.00 34.13 33.18 1dee s GLU 546 CO 0.29 -0.16 1.18 -0.46 -0.54 0.00 0.00 175.26 175.57 1dee s TRP 547 N 1.27 3.37 -0.23 5.30 -0.00 -1.26 -0.30 118.94 127.09 1dee s TRP 547 Ca -0.05 1.31 -0.16 0.00 -0.00 0.00 0.00 56.10 57.20 1dee s TRP 547 Cb -0.14 -3.39 -0.09 0.00 -0.00 0.00 0.00 33.47 29.85 1dee s TRP 547 CO -0.02 -1.18 -0.35 0.28 -0.00 0.00 0.00 176.95 175.67 1dee n VAL 548 N 4.15 1.51 -3.70 5.86 0.31 0.75 -4.50 118.33 122.71 1dee n VAL 548 Ca 0.09 -0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1dee n VAL 548 Cb 0.47 -2.09 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 1dee n VAL 548 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dee s ALA 549 N -2.69 -1.66 0.04 3.52 0.00 -0.76 -0.10 121.76 120.12 1dee s ALA 549 Ca -0.34 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1dee s ALA 549 Cb 0.10 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1dee s ALA 549 CO 0.46 -0.96 0.08 -0.48 0.00 0.00 0.00 175.76 174.86 1dee s LEU 550 N -2.84 1.89 -0.06 0.00 0.05 -0.34 0.06 118.68 117.44 1dee s LEU 550 Ca 0.10 -0.58 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 1dee s LEU 550 Cb -0.02 0.55 0.04 0.00 -2.05 0.00 0.00 46.19 44.71 1dee s LEU 550 CO -0.00 -0.51 0.12 -0.51 -0.55 0.00 0.00 176.35 174.90 1dee s ILE 551 N -2.72 -0.05 0.75 1.48 2.07 0.03 -1.81 121.20 120.95 1dee s ILE 551 Ca -0.04 0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.26 1dee s ILE 551 Cb -0.01 -0.21 0.05 0.00 0.13 0.00 0.00 42.46 42.42 1dee s ILE 551 CO -0.05 0.07 1.11 -0.94 -1.91 0.00 0.00 174.94 173.22 1dee s SER 552 N 1.11 4.50 0.39 4.50 1.04 0.68 -1.09 113.70 124.82 1dee s SER 552 Ca -0.09 1.94 0.11 0.00 0.48 0.00 0.00 55.95 58.39 1dee s SER 552 Cb -0.11 -2.54 0.89 0.00 0.10 0.00 0.00 66.02 64.35 1dee s SER 552 CO -0.05 -2.04 1.92 0.10 0.98 0.00 0.00 173.24 174.15 1dee h TYR 553 N -0.83 0.67 -0.47 5.02 -0.00 -1.84 0.41 116.97 119.93 1dee h TYR 553 Ca -0.45 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1dee h TYR 553 Cb 1.24 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 37.76 1dee h TYR 553 CO 0.56 0.29 0.00 -0.40 -0.00 0.00 0.00 178.16 178.60 1dee n ASP 554 N -4.51 2.93 0.00 0.10 5.75 -1.26 -4.83 116.55 114.73 1dee n ASP 554 Ca 0.14 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1dee n ASP 554 Cb 0.41 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1dee n ASP 554 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1dee n GLU 555 N 0.83 -0.92 0.12 0.11 1.02 0.13 -4.84 120.64 117.08 1dee n GLU 555 Ca 0.17 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.42 1dee n GLU 555 Cb 0.51 -4.50 -0.07 0.00 -0.02 0.00 0.00 31.44 27.36 1dee n GLU 555 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dee h SER 556 N 0.00 -0.29 -3.40 1.62 4.64 -1.91 -3.44 113.55 110.77 1dee h SER 556 Ca 0.00 -0.24 -0.59 0.00 -0.47 0.00 0.00 61.79 60.49 1dee h SER 556 Cb 0.46 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 1dee h SER 556 CO 0.00 0.17 -0.17 0.20 -0.87 0.00 0.00 176.83 176.16 1dee s ASN 557 N -5.24 6.54 -0.06 4.97 0.02 -1.26 -4.97 114.94 114.95 1dee s ASN 557 Ca -0.13 0.65 -0.03 0.00 -1.02 0.00 0.00 52.86 52.33 1dee s ASN 557 Cb 0.01 -2.25 0.04 0.00 0.02 0.00 0.00 41.25 39.07 1dee s ASN 557 CO 0.49 -0.04 0.10 -1.59 0.02 0.00 0.00 177.10 176.08 1dee s LYS 558 N 1.00 -0.03 0.11 -0.60 -2.85 -1.26 -0.23 119.74 115.88 1dee s LYS 558 Ca 0.22 0.46 0.10 0.00 -1.00 0.00 0.00 55.97 55.74 1dee s LYS 558 Cb -0.15 -0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 1dee s LYS 558 CO 0.08 -0.32 -0.24 0.71 0.10 0.00 0.00 175.35 175.69 1dee s TYR 559 N 2.20 2.07 0.16 1.78 2.02 -0.75 -4.99 117.35 119.84 1dee s TYR 559 Ca 0.04 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 1dee s TYR 559 Cb -0.12 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1dee s TYR 559 CO -0.04 0.27 -0.12 0.71 -1.57 0.00 0.00 175.55 174.80 1dee s TYR 560 N -1.10 1.41 0.38 2.71 1.51 -1.26 -1.20 117.35 119.80 1dee s TYR 560 Ca 0.10 -0.66 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1dee s TYR 560 Cb -0.10 -0.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.96 1dee s TYR 560 CO 0.05 0.17 1.05 0.00 -1.11 0.00 0.00 175.55 175.71 1dee s ALA 561 N -2.95 3.13 0.34 3.71 0.00 0.86 -4.83 121.76 122.03 1dee s ALA 561 Ca 0.16 0.72 0.13 0.00 0.00 0.00 0.00 51.96 52.97 1dee s ALA 561 Cb -0.00 -3.27 0.98 0.00 0.00 0.00 0.00 23.12 20.82 1dee s ALA 561 CO 0.03 -0.19 1.73 -0.44 0.00 0.00 0.00 175.76 176.89 1dee h ASP 562 N 2.68 0.59 0.51 0.00 3.32 -1.92 -0.64 116.42 120.97 1dee h ASP 562 Ca -0.48 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1dee h ASP 562 Cb 1.21 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1dee h ASP 562 CO 0.63 0.07 -0.18 0.77 -1.72 0.00 0.00 179.24 178.81 1dee h SER 563 N 0.50 0.00 -0.00 6.45 4.64 -1.96 -3.13 113.55 120.04 1dee h SER 563 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1dee h SER 563 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1dee h SER 563 CO -0.44 0.18 -0.51 1.33 -0.87 0.00 0.00 176.83 176.52 1dee n VAL 564 N -3.63 0.00 -1.68 0.95 0.24 -0.36 -4.92 118.33 108.93 1dee n VAL 564 Ca -0.01 -0.25 -0.49 0.00 -2.04 0.00 0.00 64.34 61.55 1dee n VAL 564 Cb 0.31 1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 33.68 1dee n VAL 564 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1dee n LYS 565 N -0.97 2.14 0.00 7.34 4.81 -0.54 -1.06 118.16 129.88 1dee n LYS 565 Ca 0.03 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1dee n LYS 565 Cb 0.22 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.64 1dee n LYS 565 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dee n GLY 566 N 4.46 2.99 0.12 3.14 0.00 -1.26 -4.81 105.19 109.83 1dee n GLY 566 Ca 0.23 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1dee n GLY 566 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dee n ARG 567 N 0.00 0.58 -2.65 1.61 1.74 -0.34 -4.96 116.66 112.64 1dee n ARG 567 Ca 0.00 0.48 -0.25 0.00 -0.77 0.00 0.00 57.85 57.31 1dee n ARG 567 Cb 0.00 -1.67 0.02 0.00 -1.02 0.00 0.00 32.46 29.79 1dee n ARG 567 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1dee s PHE 568 N -2.41 3.23 -0.20 -1.55 0.40 -0.23 -1.70 117.98 115.53 1dee s PHE 568 Ca -0.32 0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.39 1dee s PHE 568 Cb 0.08 -2.55 0.09 0.00 0.51 0.00 0.00 43.02 41.15 1dee s PHE 568 CO 0.57 -0.62 0.43 0.99 0.70 0.00 0.00 175.22 177.28 1dee s THR 569 N -2.80 -0.54 0.06 0.64 2.01 0.57 -4.84 115.64 110.74 1dee s THR 569 Ca 0.52 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1dee s THR 569 Cb -0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1dee s THR 569 CO 0.42 0.06 0.23 -0.51 -0.69 0.00 0.00 174.62 174.13 1dee s ILE 570 N 2.39 5.36 0.17 1.82 2.07 -1.26 -0.41 121.20 131.34 1dee s ILE 570 Ca -0.03 -0.27 -0.24 0.00 -1.41 0.00 0.00 60.65 58.69 1dee s ILE 570 Cb -0.11 -3.61 0.06 0.00 0.13 0.00 0.00 42.46 38.92 1dee s ILE 570 CO -0.13 0.16 0.83 -0.94 -1.91 0.00 0.00 174.94 172.95 1dee s SER 571 N -2.38 -0.28 0.03 4.50 1.04 -1.02 -5.01 113.70 110.58 1dee s SER 571 Ca 0.34 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 1dee s SER 571 Cb -0.13 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1dee s SER 571 CO 0.26 -1.00 0.31 0.00 0.98 0.00 0.00 173.24 173.78 1dee s ARG 572 N -3.51 0.78 -0.53 4.02 1.70 -1.26 0.21 118.95 120.36 1dee s ARG 572 Ca 0.09 -0.43 0.04 0.00 -0.47 0.00 0.00 55.73 54.96 1dee s ARG 572 Cb -0.03 0.34 0.13 0.00 -0.57 0.00 0.00 34.95 34.82 1dee s ARG 572 CO 0.00 -0.24 0.27 0.34 -1.08 0.00 0.00 175.30 174.59 1dee s ASP 573 N -1.90 4.30 0.66 -2.89 -1.08 0.60 -4.96 116.67 111.40 1dee s ASP 573 Ca -0.07 -3.04 0.35 0.00 -0.52 0.00 0.00 52.55 49.27 1dee s ASP 573 Cb -0.02 -1.61 1.91 0.00 -1.46 0.00 0.00 42.92 41.74 1dee s ASP 573 CO -0.02 -0.22 2.10 0.78 0.52 0.00 0.00 175.17 178.33 1dee h ASN 574 N 6.45 0.00 0.39 -0.34 2.35 -1.96 0.32 115.58 122.78 1dee h ASN 574 Ca -0.07 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.37 1dee h ASN 574 Cb 0.89 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.28 1dee h ASN 574 CO 0.68 0.00 -1.37 0.28 -1.65 0.00 0.00 177.43 175.37 1dee h SER 575 N 0.00 0.70 0.25 5.81 0.02 -1.95 -3.23 113.55 115.14 1dee h SER 575 Ca 0.02 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1dee h SER 575 Cb 0.43 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1dee h SER 575 CO -0.00 1.57 -0.33 0.29 -1.14 0.00 0.00 176.83 177.21 1dee n LYS 576 N -3.66 0.72 -3.60 3.45 5.02 -0.25 -4.95 118.16 114.89 1dee n LYS 576 Ca -0.13 -0.45 -0.22 0.00 -2.02 0.00 0.00 58.31 55.49 1dee n LYS 576 Cb 1.06 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.65 1dee n LYS 576 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dee n ASN 577 N -0.75 -3.42 -4.05 4.39 5.03 0.95 -4.84 115.26 112.58 1dee n ASN 577 Ca 0.11 -0.66 -0.22 0.00 0.87 0.00 0.00 54.58 54.68 1dee n ASN 577 Cb 0.36 -4.70 -0.15 0.00 -1.02 0.00 0.00 39.78 34.26 1dee n ASN 577 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dee s THR 578 N -3.41 0.97 0.01 3.41 2.01 -1.08 -1.20 115.64 116.36 1dee s THR 578 Ca 0.25 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1dee s THR 578 Cb -0.12 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1dee s THR 578 CO 0.76 0.29 0.08 -0.22 -0.69 0.00 0.00 174.62 174.84 1dee s LEU 579 N 0.04 3.86 0.18 4.42 2.96 0.01 -0.29 118.68 129.86 1dee s LEU 579 Ca -0.01 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1dee s LEU 579 Cb -0.08 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1dee s LEU 579 CO 0.01 0.26 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.85 1dee s TYR 580 N -1.22 1.55 -0.19 5.38 2.02 0.13 -0.82 117.35 124.20 1dee s TYR 580 Ca 0.24 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1dee s TYR 580 Cb -0.12 -0.74 0.09 0.00 -0.40 0.00 0.00 41.96 40.79 1dee s TYR 580 CO 0.15 0.26 0.24 -1.17 -1.57 0.00 0.00 175.55 173.45 1dee s LEU 581 N -3.24 -0.17 -0.22 -1.29 2.96 -0.90 -2.44 118.68 113.38 1dee s LEU 581 Ca 0.20 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 1dee s LEU 581 Cb 0.00 0.47 -0.04 0.00 0.50 0.00 0.00 46.19 47.13 1dee s LEU 581 CO 0.05 -0.31 0.43 -1.58 -1.32 0.00 0.00 176.35 173.61 1dee s GLN 582 N 2.35 4.14 -0.29 1.98 2.00 0.45 -0.95 119.66 129.34 1dee s GLN 582 Ca 0.07 0.23 -0.02 0.00 -2.00 0.00 0.00 55.36 53.63 1dee s GLN 582 Cb -0.15 -3.58 0.04 0.00 0.80 0.00 0.00 33.01 30.12 1dee s GLN 582 CO -0.12 -0.14 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.89 1dee s MET 583 N 1.63 2.56 0.28 1.67 -1.94 0.41 -0.32 119.30 123.59 1dee s MET 583 Ca 0.19 -1.18 0.10 0.00 -1.71 0.00 0.00 55.69 53.10 1dee s MET 583 Cb -0.15 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.49 1dee s MET 583 CO 0.09 -0.56 -0.04 -0.80 -0.01 0.00 0.00 175.02 173.69 1dee s ASN 584 N 1.29 4.29 -1.44 3.03 0.01 -0.69 -0.73 114.94 120.70 1dee s ASN 584 Ca -0.04 -0.78 -0.08 0.00 -0.71 0.00 0.00 52.86 51.26 1dee s ASN 584 Cb -0.19 -0.68 0.05 0.00 0.41 0.00 0.00 41.25 40.84 1dee s ASN 584 CO -0.01 -0.03 0.87 -1.20 -1.51 0.00 0.00 177.10 175.22 1dee n SER 585 N -0.85 -3.38 -4.68 -1.22 7.64 -1.17 -4.57 113.62 105.39 1dee n SER 585 Ca -0.06 -0.79 -0.45 0.00 1.01 0.00 0.00 58.87 58.58 1dee n SER 585 Cb 0.60 -3.98 -0.04 0.00 -1.01 0.00 0.00 64.21 59.78 1dee n SER 585 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1dee n LEU 586 N -4.54 3.34 -4.70 -3.43 4.77 -0.67 -4.60 117.00 107.16 1dee n LEU 586 Ca -0.10 1.09 -0.23 0.00 -0.03 0.00 0.00 56.01 56.74 1dee n LEU 586 Cb 0.59 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 1dee n LEU 586 CO 0.72 -0.20 -0.24 -0.13 -1.33 0.00 0.00 177.39 176.21 1dee s ARG 587 N 0.68 2.33 0.44 3.23 0.52 -1.26 -0.59 118.95 124.29 1dee s ARG 587 Ca 0.76 -1.55 0.14 0.00 -0.52 0.00 0.00 55.73 54.56 1dee s ARG 587 Cb -0.63 -2.14 1.04 0.00 0.52 0.00 0.00 34.95 33.73 1dee s ARG 587 CO 0.39 0.17 2.00 0.00 0.02 0.00 0.00 175.30 177.87 1dee h ALA 588 N 1.65 2.00 -0.54 2.13 0.00 -1.95 -1.85 119.26 120.70 1dee h ALA 588 Ca -0.44 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1dee h ALA 588 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1dee h ALA 588 CO 0.63 -0.11 0.42 0.93 0.00 0.00 0.00 179.25 181.12 1dee h GLU 589 N 0.39 0.00 -0.00 0.00 5.08 -1.95 -1.74 114.58 116.35 1dee h GLU 589 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1dee h GLU 589 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1dee h GLU 589 CO -0.06 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.70 1dee n ASP 590 N -4.20 0.06 -4.67 1.42 8.00 -0.69 -4.83 116.55 111.63 1dee n ASP 590 Ca 0.10 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 1dee n ASP 590 Cb 0.64 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1dee n ASP 590 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dee s THR 591 N -2.00 3.35 0.00 -3.53 2.01 -0.66 -4.85 115.64 109.96 1dee s THR 591 Ca 0.38 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.00 1dee s THR 591 Cb 0.18 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1dee s THR 591 CO 0.30 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.20 1dee n ALA 592 N 6.35 0.00 -2.70 7.40 0.00 -0.71 -4.38 120.51 126.47 1dee n ALA 592 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1dee n ALA 592 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1dee n ALA 592 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dee s VAL 593 N -2.00 5.15 -0.22 0.00 1.01 -0.84 -1.35 120.40 122.15 1dee s VAL 593 Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 1dee s VAL 593 Cb 0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1dee s VAL 593 CO 0.00 0.27 0.12 -0.31 0.00 0.00 0.00 175.10 175.19 1dee s TYR 594 N 0.95 3.28 0.02 5.22 1.51 0.51 -1.30 117.35 127.53 1dee s TYR 594 Ca 0.26 0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.51 1dee s TYR 594 Cb -0.15 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1dee s TYR 594 CO 0.11 0.07 -0.13 0.71 -1.11 0.00 0.00 175.55 175.19 1dee s TYR 595 N 0.86 2.70 -0.09 2.71 2.02 0.54 -1.14 117.35 124.94 1dee s TYR 595 Ca 0.06 -0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1dee s TYR 595 Cb -0.13 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1dee s TYR 595 CO 0.03 0.29 -0.06 0.00 -1.57 0.00 0.00 175.55 174.23 1dee s ALA 597 N -0.44 1.16 0.28 0.00 0.00 0.16 -1.66 121.76 121.26 1dee s ALA 597 Ca 0.07 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1dee s ALA 597 Cb -0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 1dee s ALA 597 CO 0.02 0.23 0.68 0.21 0.00 0.00 0.00 175.76 176.90 1dee s LYS 598 N -0.02 3.96 0.30 0.00 2.20 -0.21 0.04 119.74 126.01 1dee s LYS 598 Ca -0.01 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1dee s LYS 598 Cb -0.08 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1dee s LYS 598 CO 0.01 0.23 0.51 0.14 -0.36 0.00 0.00 175.35 175.88 1dee s VAL 599 N -1.89 5.10 0.12 4.02 -7.23 -1.12 -2.04 120.40 117.36 1dee s VAL 599 Ca 0.51 -0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 60.30 1dee s VAL 599 Cb -0.11 -3.79 -0.14 0.00 0.56 0.00 0.00 36.38 32.90 1dee s VAL 599 CO 0.19 -0.40 1.34 0.50 -0.31 0.00 0.00 175.10 176.42 1dee h LYS 600 N 1.33 0.78 -3.66 4.82 3.64 -1.17 -3.43 116.57 118.88 1dee h LYS 600 Ca -0.49 -0.60 -0.12 0.00 -1.27 0.00 0.00 60.65 58.18 1dee h LYS 600 Cb 1.20 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 33.07 1dee h LYS 600 CO 0.64 1.21 -0.05 -0.59 -2.27 0.00 0.00 179.45 178.40 1dee s PHE 601 N -3.82 0.53 -1.25 1.91 -0.12 -1.26 -5.05 117.98 108.92 1dee s PHE 601 Ca -0.10 -0.91 -0.19 0.00 -0.05 0.00 0.00 56.93 55.68 1dee s PHE 601 Cb 0.09 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1dee s PHE 601 CO 0.90 -1.16 1.88 0.98 -0.05 0.00 0.00 175.22 177.77 1dee n TYR 602 N -0.48 3.74 -3.67 3.49 9.36 -1.26 -4.70 117.16 123.64 1dee n TYR 602 Ca -0.02 -2.41 -0.14 0.00 3.32 0.00 0.00 57.90 58.65 1dee n TYR 602 Cb 0.61 -2.54 -0.08 0.00 -0.63 0.00 0.00 39.34 36.70 1dee n TYR 602 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1dee s ASP 603 N 4.72 -0.59 0.43 2.98 -1.08 -1.26 -5.04 116.67 116.84 1dee s ASP 603 Ca 0.57 1.09 0.15 0.00 -0.52 0.00 0.00 52.55 53.84 1dee s ASP 603 Cb 0.05 1.11 1.04 0.00 -1.46 0.00 0.00 42.92 43.66 1dee s ASP 603 CO 0.07 -0.23 1.96 -0.65 0.52 0.00 0.00 175.17 176.84 1dee h PRO 604 N 5.06 0.39 -0.43 4.34 0.11 -2.06 -0.62 132.00 138.80 1dee h PRO 604 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1dee h PRO 604 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dee h PRO 604 CO 0.17 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 1dee n THR 605 N -4.47 0.57 -1.76 -1.15 -2.24 -1.26 -4.97 114.28 98.99 1dee n THR 605 Ca 0.11 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1dee n THR 605 Cb 0.42 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 1dee n THR 605 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dee n ALA 606 N 0.86 2.50 -1.79 6.98 0.00 -0.24 -4.96 120.51 123.86 1dee n ALA 606 Ca 0.16 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 1dee n ALA 606 Cb 0.41 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 1dee n ALA 606 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1dee s PRO 607 N -1.40 3.87 -0.72 0.00 0.04 -1.26 -4.69 135.00 130.84 1dee s PRO 607 Ca 0.58 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 1dee s PRO 607 Cb -0.48 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 31.97 1dee s PRO 607 CO 0.57 -0.36 1.37 -0.80 0.04 0.00 0.00 177.00 177.82 1dee s ASN 608 N -2.26 6.02 0.19 6.66 0.01 -1.26 -0.66 114.94 123.64 1dee s ASN 608 Ca 0.64 -0.31 0.10 0.00 -0.71 0.00 0.00 52.86 52.59 1dee s ASN 608 Cb -0.14 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 1dee s ASN 608 CO 0.22 -1.92 1.35 -2.24 -1.51 0.00 0.00 177.10 173.00 1dee h ASP 609 N 10.81 0.00 -3.37 -1.22 2.03 -1.68 -3.45 116.42 119.53 1dee h ASP 609 Ca -0.28 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.56 1dee h ASP 609 Cb 1.07 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 39.22 1dee h ASP 609 CO 1.27 0.78 -0.79 -0.31 -1.03 0.00 0.00 179.24 179.16 1dee s TYR 610 N -2.82 1.03 0.17 4.15 2.02 -1.24 -5.02 117.35 115.64 1dee s TYR 610 Ca 0.02 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1dee s TYR 610 Cb 0.09 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 1dee s TYR 610 CO 0.79 -0.29 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.82 1dee s TRP 611 N 1.17 2.70 0.69 2.71 0.52 -1.26 -1.04 118.94 124.42 1dee s TRP 611 Ca -0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 55.85 1dee s TRP 611 Cb -0.14 -1.33 0.10 0.00 -1.15 0.00 0.00 33.47 30.95 1dee s TRP 611 CO -0.01 0.50 0.95 0.20 0.02 0.00 0.00 176.95 178.61 1dee s GLY 612 N -2.75 1.77 0.28 0.98 0.00 -0.67 -4.71 107.32 102.22 1dee s GLY 612 Ca 0.25 -1.57 0.06 0.00 0.00 0.00 0.00 44.72 43.46 1dee s GLY 612 CO 0.16 -1.07 1.66 1.46 0.00 0.00 0.00 173.10 175.31 1dee h GLN 613 N -0.43 0.24 0.00 2.90 1.08 -1.92 -3.44 115.11 113.54 1dee h GLN 613 Ca -0.38 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1dee h GLN 613 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1dee h GLN 613 CO 0.44 0.66 0.00 0.41 -0.95 0.00 0.00 178.83 179.39 1dee n GLY 614 N -0.05 1.06 3.20 3.46 0.00 -1.25 -4.97 105.19 106.64 1dee n GLY 614 Ca -0.02 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1dee n GLY 614 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dee s THR 615 N -2.65 1.64 -0.04 2.61 -4.23 -0.30 -4.82 115.64 107.86 1dee s THR 615 Ca 0.00 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 1dee s THR 615 Cb 0.00 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1dee s THR 615 CO 0.00 0.47 0.95 -0.22 -0.54 0.00 0.00 174.62 175.27 1dee s LEU 616 N -0.29 4.33 -0.32 4.79 1.98 -1.26 -0.36 118.68 127.55 1dee s LEU 616 Ca 0.03 1.56 0.03 0.00 -2.89 0.00 0.00 54.13 52.86 1dee s LEU 616 Cb -0.10 -3.50 0.09 0.00 0.66 0.00 0.00 46.19 43.34 1dee s LEU 616 CO 0.01 -0.29 0.02 -0.69 -1.89 0.00 0.00 176.35 173.51 1dee s VAL 617 N 1.24 2.10 -0.35 1.68 1.01 -0.45 -2.25 120.40 123.38 1dee s VAL 617 Ca 0.49 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 1dee s VAL 617 Cb -0.20 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1dee s VAL 617 CO 0.24 -0.47 0.26 -0.89 0.00 0.00 0.00 175.10 174.24 1dee s THR 618 N 1.02 5.28 -0.37 3.92 2.01 -0.51 -1.75 115.64 125.24 1dee s THR 618 Ca 0.06 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1dee s THR 618 Cb -0.19 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1dee s THR 618 CO -0.09 -0.07 0.17 -0.69 -0.69 0.00 0.00 174.62 173.25 1dee s VAL 619 N 1.73 4.13 0.02 3.82 1.01 -1.26 -1.02 120.40 128.83 1dee s VAL 619 Ca 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1dee s VAL 619 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1dee s VAL 619 CO 0.11 -0.27 0.07 -0.55 0.00 0.00 0.00 175.10 174.45 1dee s SER 620 N 1.59 0.17 0.39 3.32 0.15 -0.27 -4.37 113.70 114.69 1dee s SER 620 Ca 0.01 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.42 1dee s SER 620 Cb -0.20 0.19 0.30 0.00 -1.71 0.00 0.00 66.02 64.59 1dee s SER 620 CO 0.04 -0.42 1.52 0.77 1.20 0.00 0.00 173.24 176.34 1dee h SER 621 N 4.05 0.00 -4.10 5.45 4.64 -1.88 -3.25 113.55 118.45 1dee h SER 621 Ca -0.32 -0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.53 1dee h SER 621 Cb 1.19 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.42 1dee h SER 621 CO 0.46 0.00 0.26 -0.83 -0.87 0.00 0.00 176.83 175.86 1dee s GLY 622 N -4.21 1.59 0.08 -0.77 0.00 -1.26 -5.00 107.32 97.76 1dee s GLY 622 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 1dee s GLY 622 CO 0.69 0.23 0.28 -0.56 0.00 0.00 0.00 173.10 173.74 1dee s SER 623 N -3.69 6.42 0.25 1.64 0.01 -1.26 -4.86 113.70 112.21 1dee s SER 623 Ca 0.63 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 58.01 1dee s SER 623 Cb -0.17 -2.02 -0.11 0.00 0.21 0.00 0.00 66.02 63.93 1dee s SER 623 CO 0.56 0.14 1.61 0.00 0.41 0.00 0.00 173.24 175.95 1dee s ALA 624 N -1.54 3.79 0.10 1.44 0.00 -1.26 -4.69 121.76 119.60 1dee s ALA 624 Ca 0.36 1.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 1dee s ALA 624 Cb -0.13 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1dee s ALA 624 CO 0.25 -0.92 0.30 -1.54 0.00 0.00 0.00 175.76 173.86 1dee s SER 625 N 0.75 -0.07 0.45 0.00 1.04 -0.50 -4.91 113.70 110.46 1dee s SER 625 Ca 0.67 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.52 1dee s SER 625 Cb -0.47 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 65.98 1dee s SER 625 CO 0.41 -0.77 0.87 0.00 0.98 0.00 0.00 173.24 174.72 1dee s ALA 626 N -3.68 3.22 0.72 5.32 0.00 -1.26 -1.88 121.76 124.20 1dee s ALA 626 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 1dee s ALA 626 Cb 0.03 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1dee s ALA 626 CO -0.11 -0.10 1.15 -1.25 0.00 0.00 0.00 175.76 175.45 1dee s PRO 627 N -3.92 2.33 -0.40 0.00 0.04 -1.26 -4.54 135.00 127.25 1dee s PRO 627 Ca 0.55 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1dee s PRO 627 Cb -0.10 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1dee s PRO 627 CO 0.31 -1.64 0.23 0.99 0.04 0.00 0.00 177.00 176.93 1dee s THR 628 N -2.29 4.35 0.24 1.26 2.01 0.85 -4.87 115.64 117.20 1dee s THR 628 Ca 0.69 -1.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 1dee s THR 628 Cb -0.24 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 1dee s THR 628 CO 0.46 -0.37 0.87 -0.76 -0.69 0.00 0.00 174.62 174.13 1dee s LEU 629 N 1.48 4.53 -0.00 4.42 1.43 -1.26 -1.71 118.68 127.57 1dee s LEU 629 Ca 0.02 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1dee s LEU 629 Cb -0.21 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1dee s LEU 629 CO 0.04 0.11 -0.01 -0.36 0.23 0.00 0.00 176.35 176.36 1dee s PHE 630 N -1.31 0.10 0.27 0.29 0.08 0.09 -5.00 117.98 112.51 1dee s PHE 630 Ca 0.42 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 57.25 1dee s PHE 630 Cb -0.23 -0.08 -0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1dee s PHE 630 CO 0.27 -0.01 0.79 -1.25 -0.10 0.00 0.00 175.22 174.93 1dee s PRO 631 N 0.08 4.31 -0.31 0.24 0.04 -1.26 -0.55 135.00 137.54 1dee s PRO 631 Ca -0.01 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 1dee s PRO 631 Cb -0.02 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.82 1dee s PRO 631 CO -0.00 0.31 0.02 -0.51 0.04 0.00 0.00 177.00 176.86 1dee s LEU 632 N -2.18 4.11 -0.13 -3.56 1.43 -0.11 -4.85 118.68 113.39 1dee s LEU 632 Ca 0.47 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1dee s LEU 632 Cb -0.16 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1dee s LEU 632 CO 0.21 -0.30 -0.09 -0.69 0.23 0.00 0.00 176.35 175.71 1dee s VAL 633 N 1.17 3.45 0.26 -1.59 1.01 -1.26 0.15 120.40 123.59 1dee s VAL 633 Ca -0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1dee s VAL 633 Cb -0.20 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1dee s VAL 633 CO -0.03 0.52 1.63 -1.54 0.00 0.00 0.00 175.10 175.69 1dee n SER 634 N 3.37 3.86 -4.64 3.32 3.41 -1.26 -4.88 113.62 116.81 1dee n SER 634 Ca -0.18 1.12 -0.43 0.00 -0.26 0.00 0.00 58.87 59.12 1dee n SER 634 Cb 0.53 -1.58 -0.03 0.00 -0.26 0.00 0.00 64.21 62.86 1dee n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dee n GLU 636 N 7.84 -1.17 -1.06 0.00 -0.58 -1.26 -4.75 120.64 119.66 1dee n GLU 636 Ca 0.24 0.62 0.08 0.00 -0.42 0.00 0.00 57.16 57.68 1dee n GLU 636 Cb 0.40 -4.66 -0.05 0.00 -0.57 0.00 0.00 31.44 26.57 1dee n GLU 636 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1dee n ASN 637 N -0.48 -5.73 -4.46 1.62 2.85 -0.06 -4.65 115.26 104.34 1dee n ASN 637 Ca -0.06 1.15 -0.43 0.00 -0.11 0.00 0.00 54.58 55.12 1dee n ASN 637 Cb 0.39 -3.47 0.00 0.00 1.24 0.00 0.00 39.78 37.94 1dee n ASN 637 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1dee n SER 638 N -3.20 5.06 0.09 1.20 7.64 -1.26 -4.79 113.62 118.35 1dee n SER 638 Ca -0.05 -2.95 -0.15 0.00 1.01 0.00 0.00 58.87 56.73 1dee n SER 638 Cb 0.44 -1.64 -0.14 0.00 -1.01 0.00 0.00 64.21 61.86 1dee n SER 638 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1dee h ASN 639 N 7.21 0.36 -0.58 6.43 -1.07 -1.94 -3.37 115.58 122.62 1dee h ASN 639 Ca 0.39 -0.40 -0.34 0.00 0.07 0.00 0.00 56.30 56.01 1dee h ASN 639 Cb 0.85 -0.12 -0.13 0.00 -2.07 0.00 0.00 38.32 36.86 1dee h ASN 639 CO 1.37 1.32 0.22 -0.81 0.07 0.00 0.00 177.43 179.60 1dee n PRO 640 N -3.49 2.00 -3.57 4.14 -0.04 -1.26 -4.82 135.00 127.97 1dee n PRO 640 Ca -0.09 -1.62 -0.17 0.00 -0.04 0.00 0.00 63.50 61.58 1dee n PRO 640 Cb 1.02 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1dee n PRO 640 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1dee s SER 641 N 0.76 -0.56 0.00 3.54 0.15 -1.26 -5.02 113.70 111.31 1dee s SER 641 Ca 0.46 0.57 0.23 0.00 0.70 0.00 0.00 55.95 57.91 1dee s SER 641 Cb 0.29 0.49 1.33 0.00 -1.71 0.00 0.00 66.02 66.42 1dee s SER 641 CO -0.09 -0.58 1.75 -1.20 1.20 0.00 0.00 173.24 174.32 1dee n SER 642 N 0.96 0.00 -3.63 5.45 7.64 -1.26 -4.60 113.62 118.19 1dee n SER 642 Ca -0.20 -0.56 -0.20 0.00 1.01 0.00 0.00 58.87 58.93 1dee n SER 642 Cb 0.57 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.54 1dee n SER 642 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1dee s THR 643 N -2.14 -0.20 0.20 0.44 -4.23 -1.26 0.73 115.64 109.18 1dee s THR 643 Ca 0.32 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.72 1dee s THR 643 Cb 0.16 -0.38 -0.08 0.00 1.34 0.00 0.00 72.50 73.54 1dee s THR 643 CO 0.29 0.01 1.02 0.68 -0.54 0.00 0.00 174.62 176.07 1dee s VAL 644 N 2.24 4.02 -0.24 2.29 -7.23 0.20 -4.76 120.40 116.93 1dee s VAL 644 Ca 0.04 1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 62.02 1dee s VAL 644 Cb -0.13 -4.18 -0.00 0.00 0.56 0.00 0.00 36.38 32.62 1dee s VAL 644 CO -0.07 0.37 -0.03 0.00 -0.31 0.00 0.00 175.10 175.06 1dee s ALA 645 N -0.62 2.83 0.09 1.32 0.00 -1.26 -1.00 121.76 123.13 1dee s ALA 645 Ca 0.45 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1dee s ALA 645 Cb -0.27 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1dee s ALA 645 CO 0.34 -0.56 -0.14 0.14 0.00 0.00 0.00 175.76 175.53 1dee s VAL 646 N 1.46 3.09 0.38 0.00 -7.23 -0.99 -4.05 120.40 113.06 1dee s VAL 646 Ca 0.04 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1dee s VAL 646 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1dee s VAL 646 CO -0.03 0.15 0.16 -0.83 -0.31 0.00 0.00 175.10 174.25 1dee s GLY 647 N -2.03 2.48 -0.02 2.32 0.00 0.12 -1.09 107.32 109.10 1dee s GLY 647 Ca 0.19 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 1dee s GLY 647 CO 0.11 -1.74 0.03 0.00 0.00 0.00 0.00 173.10 171.50 1dee s LEU 649 N 1.09 3.50 -0.24 0.00 2.96 0.29 -1.25 118.68 125.03 1dee s LEU 649 Ca -0.09 -0.70 -0.09 0.00 -0.22 0.00 0.00 54.13 53.04 1dee s LEU 649 Cb -0.13 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1dee s LEU 649 CO -0.03 -0.14 0.12 0.00 -1.32 0.00 0.00 176.35 174.97 1dee s ALA 650 N 1.45 3.39 0.27 5.97 0.00 0.17 -0.73 121.76 132.27 1dee s ALA 650 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1dee s ALA 650 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1dee s ALA 650 CO -0.00 -0.31 0.12 1.14 0.00 0.00 0.00 175.76 176.71 1dee s GLN 651 N 1.29 1.45 -1.47 0.00 -2.07 -0.69 -0.53 119.66 117.64 1dee s GLN 651 Ca 0.06 -1.80 -0.07 0.00 -1.82 0.00 0.00 55.36 51.73 1dee s GLN 651 Cb -0.15 -0.14 0.05 0.00 -1.09 0.00 0.00 33.01 31.68 1dee s GLN 651 CO 0.05 -0.36 0.68 -0.25 -1.32 0.00 0.00 175.29 174.09 1dee n ASP 652 N -0.61 -2.09 -4.58 12.60 9.92 -0.93 -0.10 116.55 130.76 1dee n ASP 652 Ca 0.01 -0.92 -0.25 0.00 -0.53 0.00 0.00 54.79 53.10 1dee n ASP 652 Cb 0.66 -3.40 -0.09 0.00 -0.64 0.00 0.00 41.12 37.65 1dee n ASP 652 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1dee s PHE 653 N -3.62 2.60 -0.28 1.24 -0.12 -0.97 -4.56 117.98 112.26 1dee s PHE 653 Ca 0.30 -0.24 -0.21 0.00 -0.05 0.00 0.00 56.93 56.73 1dee s PHE 653 Cb -0.15 -1.21 0.11 0.00 -0.63 0.00 0.00 43.02 41.14 1dee s PHE 653 CO 0.87 0.58 0.89 -1.17 -0.05 0.00 0.00 175.22 176.34 1dee s LEU 654 N -3.24 -0.62 1.04 -1.99 2.96 -0.79 -0.99 118.68 115.06 1dee s LEU 654 Ca 0.28 1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 55.10 1dee s LEU 654 Cb -0.07 2.05 0.24 0.00 0.50 0.00 0.00 46.19 48.91 1dee s LEU 654 CO 0.17 -0.18 1.32 -2.16 -1.32 0.00 0.00 176.35 174.18 1dee s PRO 655 N 0.84 0.01 -1.14 0.98 0.04 -1.26 -1.41 135.00 133.05 1dee s PRO 655 Ca -0.03 -0.49 -0.20 0.00 0.04 0.00 0.00 61.00 60.31 1dee s PRO 655 Cb -0.05 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1dee s PRO 655 CO -0.10 -2.83 1.92 -3.47 0.04 0.00 0.00 177.00 172.56 1dee n ASP 656 N -4.04 3.44 -3.19 6.66 2.03 -1.26 -4.68 116.55 115.51 1dee n ASP 656 Ca 0.17 -2.76 -0.20 0.00 0.52 0.00 0.00 54.79 52.51 1dee n ASP 656 Cb 0.59 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1dee n ASP 656 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1dee n SER 657 N 10.36 -1.22 -4.24 1.67 7.64 -1.26 -5.12 113.62 121.44 1dee n SER 657 Ca 0.48 -2.58 -0.23 0.00 1.01 0.00 0.00 58.87 57.55 1dee n SER 657 Cb 0.44 0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 1dee n SER 657 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1dee s ILE 658 N 0.14 1.56 -0.15 0.44 2.07 -1.26 -4.25 121.20 119.75 1dee s ILE 658 Ca 0.32 -1.33 -0.02 0.00 -1.41 0.00 0.00 60.65 58.21 1dee s ILE 658 Cb 0.05 -1.40 0.05 0.00 0.13 0.00 0.00 42.46 41.29 1dee s ILE 658 CO -0.16 0.03 0.02 -0.89 -1.91 0.00 0.00 174.94 172.03 1dee s THR 659 N -1.00 0.52 0.40 4.00 2.01 -0.93 -4.89 115.64 115.73 1dee s THR 659 Ca 0.05 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 1dee s THR 659 Cb -0.09 -0.89 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1dee s THR 659 CO 0.03 -0.03 0.97 -0.36 -0.69 0.00 0.00 174.62 174.53 1dee s PHE 660 N 1.88 3.40 -0.07 4.92 0.40 -1.26 -0.69 117.98 126.57 1dee s PHE 660 Ca 0.01 1.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.95 1dee s PHE 660 Cb -0.15 -2.93 0.02 0.00 0.51 0.00 0.00 43.02 40.46 1dee s PHE 660 CO -0.07 -0.15 0.19 0.45 0.70 0.00 0.00 175.22 176.34 1dee s SER 661 N -1.89 -0.19 -0.02 1.36 0.15 0.10 -4.97 113.70 108.24 1dee s SER 661 Ca 0.58 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.64 1dee s SER 661 Cb -0.15 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1dee s SER 661 CO 0.19 -0.07 -0.15 0.26 1.20 0.00 0.00 173.24 174.68 1dee s TRP 662 N 0.09 1.41 -0.01 3.44 0.52 -1.26 0.13 118.94 123.26 1dee s TRP 662 Ca -0.00 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.80 1dee s TRP 662 Cb -0.01 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.37 1dee s TRP 662 CO 0.00 -0.08 -0.05 0.15 0.02 0.00 0.00 176.95 176.99 1dee s LYS 663 N -0.13 0.51 1.17 4.98 1.02 -0.22 -1.46 119.74 125.61 1dee s LYS 663 Ca 0.01 -0.16 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 1dee s LYS 663 Cb -0.08 -0.51 0.28 0.00 -0.52 0.00 0.00 37.83 36.99 1dee s LYS 663 CO 0.00 0.06 1.03 0.71 -0.92 0.00 0.00 175.35 176.24 1dee s TYR 664 N 0.16 1.27 0.40 3.18 1.51 0.82 0.13 117.35 124.82 1dee s TYR 664 Ca -0.02 1.01 0.07 0.00 -1.01 0.00 0.00 57.07 57.13 1dee s TYR 664 Cb -0.05 -3.13 0.84 0.00 -0.11 0.00 0.00 41.96 39.51 1dee s TYR 664 CO -0.00 -3.83 2.03 -0.22 -1.11 0.00 0.00 175.55 172.41 1dee h LYS 665 N -2.58 0.58 -0.46 -0.62 3.64 -1.88 0.16 116.57 115.40 1dee h LYS 665 Ca -0.58 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1dee h LYS 665 Cb 1.34 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1dee h LYS 665 CO 0.50 0.38 0.00 0.27 -2.27 0.00 0.00 179.45 178.33 1dee n ASN 666 N -4.47 0.46 -3.55 4.20 0.23 -1.26 -4.88 115.26 106.00 1dee n ASN 666 Ca 0.06 -1.67 -0.26 0.00 -0.53 0.00 0.00 54.58 52.17 1dee n ASN 666 Cb 0.14 -0.23 0.05 0.00 -2.08 0.00 0.00 39.78 37.65 1dee n ASN 666 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1dee n ASN 667 N -0.18 -5.77 -3.99 0.53 5.15 0.55 -5.04 115.26 106.52 1dee n ASN 667 Ca 0.00 -0.91 -0.09 0.00 -0.60 0.00 0.00 54.58 52.99 1dee n ASN 667 Cb 0.12 -3.90 -0.11 0.00 -0.53 0.00 0.00 39.78 35.36 1dee n ASN 667 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1dee s SER 668 N -3.42 0.26 0.37 1.20 1.04 -1.25 -4.89 113.70 107.01 1dee s SER 668 Ca 0.45 -0.56 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 1dee s SER 668 Cb -0.13 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.02 1dee s SER 668 CO 0.83 -0.36 1.33 -1.81 0.98 0.00 0.00 173.24 174.20 1dee s ASP 669 N -1.71 6.49 -0.20 7.02 1.01 -1.26 -0.13 116.67 127.90 1dee s ASP 669 Ca -0.12 2.72 -0.13 0.00 0.71 0.00 0.00 52.55 55.73 1dee s ASP 669 Cb -0.07 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 1dee s ASP 669 CO -0.02 -0.74 0.26 -0.63 0.21 0.00 0.00 175.17 174.25 1dee s ILE 670 N -1.20 5.31 -0.10 0.77 1.01 -0.53 -4.79 121.20 121.67 1dee s ILE 670 Ca 0.53 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 1dee s ILE 670 Cb -0.40 -3.60 -0.28 0.00 0.01 0.00 0.00 42.46 38.19 1dee s ILE 670 CO 0.52 0.35 0.83 0.28 0.00 0.00 0.00 174.94 176.92 1dee h SER 671 N 7.04 0.20 -0.14 3.58 0.02 -1.95 -3.41 113.55 118.89 1dee h SER 671 Ca -0.39 -0.98 -0.53 0.00 -0.84 0.00 0.00 61.79 59.05 1dee h SER 671 Cb 1.16 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 63.67 1dee h SER 671 CO 0.72 1.16 1.79 -1.54 -1.14 0.00 0.00 176.83 177.82 1dee n SER 672 N -4.41 2.53 -4.26 3.07 3.41 -1.26 -4.88 113.62 107.81 1dee n SER 672 Ca -0.12 -2.66 -0.27 0.00 -0.26 0.00 0.00 58.87 55.56 1dee n SER 672 Cb 0.62 -1.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.16 1dee n SER 672 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1dee s THR 673 N 7.34 1.78 -0.11 6.66 -4.23 -1.26 -1.68 115.64 124.14 1dee s THR 673 Ca 0.62 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1dee s THR 673 Cb 0.09 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.43 1dee s THR 673 CO 0.15 0.36 -0.18 -0.60 -0.54 0.00 0.00 174.62 173.80 1dee s ARG 674 N -0.91 2.52 -0.16 3.99 6.06 0.24 -4.94 118.95 125.75 1dee s ARG 674 Ca 0.09 -0.68 -0.02 0.00 -2.50 0.00 0.00 55.73 52.61 1dee s ARG 674 Cb -0.09 -2.04 -0.02 0.00 0.06 0.00 0.00 34.95 32.86 1dee s ARG 674 CO 0.01 0.01 -0.07 0.20 -2.50 0.00 0.00 175.30 172.95 1dee s GLY 675 N 0.76 1.63 0.02 8.12 0.00 -1.26 -0.85 107.32 115.73 1dee s GLY 675 Ca -0.11 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1dee s GLY 675 CO 0.01 -0.03 -0.05 -1.36 0.00 0.00 0.00 173.10 171.67 1dee s PHE 676 N 0.54 2.93 0.71 1.90 0.40 -0.91 -5.05 117.98 118.51 1dee s PHE 676 Ca -0.05 -0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 1dee s PHE 676 Cb -0.15 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1dee s PHE 676 CO 0.03 0.41 1.06 -2.30 0.70 0.00 0.00 175.22 175.12 1dee n PRO 677 N 1.38 0.60 -2.86 0.24 -0.02 -1.26 -4.26 135.00 128.82 1dee n PRO 677 Ca -0.15 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1dee n PRO 677 Cb 0.52 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1dee n PRO 677 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1dee s SER 678 N -1.64 7.47 -0.06 2.55 0.01 -1.26 -4.67 113.70 116.10 1dee s SER 678 Ca 0.75 1.74 -0.03 0.00 1.31 0.00 0.00 55.95 59.72 1dee s SER 678 Cb -0.35 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 1dee s SER 678 CO 0.48 0.11 0.11 0.68 0.41 0.00 0.00 173.24 175.03 1dee s VAL 679 N -0.78 5.06 -0.63 3.43 -7.23 0.67 -4.88 120.40 116.04 1dee s VAL 679 Ca 0.40 -0.12 -0.23 0.00 -1.81 0.00 0.00 61.98 60.22 1dee s VAL 679 Cb -0.24 -3.26 0.06 0.00 0.56 0.00 0.00 36.38 33.51 1dee s VAL 679 CO 0.28 0.48 0.96 -0.22 -0.31 0.00 0.00 175.10 176.30 1dee s LEU 680 N -1.39 4.29 -0.95 1.32 2.96 -1.26 -0.81 118.68 122.83 1dee s LEU 680 Ca 0.19 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 1dee s LEU 680 Cb -0.12 -2.51 0.22 0.00 0.50 0.00 0.00 46.19 44.28 1dee s LEU 680 CO 0.10 -1.40 0.97 -0.60 -1.32 0.00 0.00 176.35 174.10 1dee s ARG 681 N 4.07 3.81 -0.52 1.98 3.00 0.19 -4.76 118.95 126.72 1dee s ARG 681 Ca 0.24 -2.58 -0.22 0.00 -1.00 0.00 0.00 55.73 52.18 1dee s ARG 681 Cb -0.16 -4.59 0.03 0.00 0.00 0.00 0.00 34.95 30.23 1dee s ARG 681 CO 0.12 -1.39 0.64 0.41 0.00 0.00 0.00 175.30 175.08 1dee n GLY 682 N 3.86 -0.71 4.02 8.12 0.00 -1.26 -2.74 105.19 116.49 1dee n GLY 682 Ca 0.20 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.28 1dee n GLY 682 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dee n GLY 683 N -0.58 1.90 3.76 -0.02 0.00 -1.26 -4.94 105.19 104.04 1dee n GLY 683 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1dee n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dee s LYS 684 N 0.00 2.57 0.23 1.61 -0.14 -1.11 -4.67 119.74 118.23 1dee s LYS 684 Ca 0.00 -1.32 0.07 0.00 -1.36 0.00 0.00 55.97 53.35 1dee s LYS 684 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.78 1dee s LYS 684 CO 0.00 0.26 0.17 0.71 -0.76 0.00 0.00 175.35 175.73 1dee s TYR 685 N -2.29 3.09 -0.03 3.18 2.02 -0.16 0.55 117.35 123.72 1dee s TYR 685 Ca 0.35 -0.09 -0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1dee s TYR 685 Cb -0.06 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1dee s TYR 685 CO 0.23 0.53 0.07 0.00 -1.57 0.00 0.00 175.55 174.81 1dee s ALA 686 N -2.03 -0.18 0.04 3.71 0.00 0.01 -2.20 121.76 121.11 1dee s ALA 686 Ca 0.32 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 1dee s ALA 686 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1dee s ALA 686 CO 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 175.76 175.97 1dee s ALA 687 N -0.02 0.20 0.16 0.00 0.00 0.31 -0.24 121.76 122.18 1dee s ALA 687 Ca -0.01 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1dee s ALA 687 Cb -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1dee s ALA 687 CO 0.00 -0.30 -0.22 0.99 0.00 0.00 0.00 175.76 176.23 1dee s THR 688 N -2.79 2.09 0.06 0.00 2.01 -1.26 -0.66 115.64 115.09 1dee s THR 688 Ca -0.03 -1.88 0.01 0.00 0.31 0.00 0.00 61.69 60.10 1dee s THR 688 Cb -0.00 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1dee s THR 688 CO -0.06 -0.12 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.14 1dee s SER 689 N -2.44 0.79 -0.03 3.53 0.15 -0.38 -2.15 113.70 113.17 1dee s SER 689 Ca 0.16 -0.73 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1dee s SER 689 Cb -0.08 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1dee s SER 689 CO 0.07 -0.34 0.09 -1.58 1.20 0.00 0.00 173.24 172.68 1dee s GLN 690 N -2.48 0.16 -0.07 5.44 0.74 -0.03 -1.03 119.66 122.38 1dee s GLN 690 Ca -0.03 0.04 0.04 0.00 0.05 0.00 0.00 55.36 55.46 1dee s GLN 690 Cb -0.03 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1dee s GLN 690 CO -0.03 -0.02 -0.19 0.08 -0.55 0.00 0.00 175.29 174.58 1dee s VAL 691 N -0.17 1.60 -0.42 1.34 1.01 -0.25 0.81 120.40 124.32 1dee s VAL 691 Ca -0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1dee s VAL 691 Cb -0.02 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1dee s VAL 691 CO 0.00 0.46 0.27 -0.76 0.00 0.00 0.00 175.10 175.07 1dee s LEU 692 N 0.27 5.15 -0.14 3.92 1.43 -0.67 -2.35 118.68 126.28 1dee s LEU 692 Ca -0.11 -1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 51.51 1dee s LEU 692 Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1dee s LEU 692 CO 0.05 -0.53 0.07 -0.76 0.23 0.00 0.00 176.35 175.41 1dee s LEU 693 N 1.46 3.95 -0.40 1.79 1.43 -0.17 -4.75 118.68 121.99 1dee s LEU 693 Ca 0.03 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1dee s LEU 693 Cb -0.23 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 1dee s LEU 693 CO 0.03 0.29 2.33 -0.81 0.23 0.00 0.00 176.35 178.42 1dee n PRO 694 N 2.76 1.32 0.27 1.29 -0.04 -1.26 0.62 135.00 139.96 1dee n PRO 694 Ca -0.18 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1dee n PRO 694 Cb 0.53 -3.10 0.73 0.00 -0.04 0.00 0.00 33.50 31.63 1dee n PRO 694 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1dee h SER 695 N 16.39 0.00 -0.04 3.54 0.02 0.05 -3.04 113.55 130.48 1dee h SER 695 Ca -0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1dee h SER 695 Cb 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 1dee h SER 695 CO 1.08 0.06 0.55 1.17 -1.14 0.00 0.00 176.83 178.54 1dee n LYS 696 N -4.08 0.04 0.00 3.45 4.81 -1.24 -3.61 118.16 117.52 1dee n LYS 696 Ca -0.03 -0.80 0.00 0.00 -0.87 0.00 0.00 58.31 56.61 1dee n LYS 696 Cb 0.14 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1dee n LYS 696 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dee n ASP 697 N 11.60 0.00 -0.92 3.14 8.00 -1.26 -4.56 116.55 132.55 1dee n ASP 697 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 1dee n ASP 697 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1dee n ASP 697 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1dee n VAL 698 N 0.00 0.84 0.23 2.53 0.24 -1.25 -4.04 118.33 116.87 1dee n VAL 698 Ca 0.00 -0.14 0.09 0.00 -2.04 0.00 0.00 64.34 62.24 1dee n VAL 698 Cb 0.00 -0.78 0.52 0.00 -1.47 0.00 0.00 33.84 32.11 1dee n VAL 698 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dee h ALA 699 N 2.01 1.19 -3.00 2.33 0.00 -1.59 -3.44 119.26 116.75 1dee h ALA 699 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dee h ALA 699 Cb 0.96 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1dee h ALA 699 CO 0.07 0.30 0.00 0.94 0.00 0.00 0.00 179.25 180.56 1dee n GLN 700 N -3.64 0.00 0.00 0.00 7.27 -1.26 -4.95 117.38 114.80 1dee n GLN 700 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1dee n GLN 700 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 1dee n GLN 700 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1dee n GLY 701 N -0.31 0.85 0.13 1.69 0.00 -1.26 -2.25 105.19 104.03 1dee n GLY 701 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 1dee n GLY 701 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dee n THR 702 N 0.00 1.62 -2.09 2.61 -2.24 -1.26 -4.78 114.28 108.14 1dee n THR 702 Ca 0.00 -0.52 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 1dee n THR 702 Cb 0.00 -1.67 -0.04 0.00 -2.10 0.00 0.00 70.33 66.52 1dee n THR 702 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1dee s ASN 703 N -6.88 5.30 0.13 3.42 0.01 -0.96 -4.79 114.94 111.18 1dee s ASN 703 Ca -0.30 -0.36 0.20 0.00 -0.71 0.00 0.00 52.86 51.69 1dee s ASN 703 Cb 0.08 -2.55 0.82 0.00 0.41 0.00 0.00 41.25 40.01 1dee s ASN 703 CO 0.65 -2.52 1.60 -0.62 -1.51 0.00 0.00 177.10 174.71 1dee n GLU 704 N 8.99 0.10 -3.75 -0.60 1.02 -1.26 -4.65 120.64 120.49 1dee n GLU 704 Ca 0.32 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1dee n GLU 704 Cb 0.49 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1dee n GLU 704 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1dee s HIS 705 N -3.16 -0.03 0.33 -0.32 -3.43 -1.26 -2.46 115.29 104.95 1dee s HIS 705 Ca 0.06 -0.16 0.06 0.00 -0.80 0.00 0.00 55.06 54.22 1dee s HIS 705 Cb 0.10 0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 31.77 1dee s HIS 705 CO 0.34 -0.47 -0.02 0.14 -2.00 0.00 0.00 174.74 172.73 1dee s VAL 706 N -2.48 1.70 -0.16 -5.38 -7.23 0.12 -3.09 120.40 103.88 1dee s VAL 706 Ca 0.18 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1dee s VAL 706 Cb 0.02 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1dee s VAL 706 CO -0.01 -0.14 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.78 1dee s VAL 707 N -2.96 2.44 -0.24 1.32 1.01 0.12 -0.34 120.40 121.75 1dee s VAL 707 Ca 0.33 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1dee s VAL 707 Cb 0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1dee s VAL 707 CO 0.15 0.52 0.16 0.00 0.00 0.00 0.00 175.10 175.93 1dee s LYS 709 N 1.14 1.39 -0.02 0.00 1.02 0.12 -0.50 119.74 122.90 1dee s LYS 709 Ca 0.07 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.16 1dee s LYS 709 Cb -0.14 -1.50 -0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1dee s LYS 709 CO 0.05 0.38 -0.09 0.14 -0.92 0.00 0.00 175.35 174.91 1dee s VAL 710 N -0.79 0.78 0.03 3.17 -7.23 0.20 0.02 120.40 116.59 1dee s VAL 710 Ca 0.07 -0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 1dee s VAL 710 Cb -0.09 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 1dee s VAL 710 CO 0.02 0.23 0.34 -1.10 -0.31 0.00 0.00 175.10 174.28 1dee s GLN 711 N 0.01 3.70 -0.28 4.82 1.11 0.14 -2.07 119.66 127.08 1dee s GLN 711 Ca -0.00 0.10 -0.25 0.00 0.01 0.00 0.00 55.36 55.23 1dee s GLN 711 Cb -0.06 -3.07 0.11 0.00 -1.01 0.00 0.00 33.01 28.97 1dee s GLN 711 CO 0.00 0.62 0.94 -1.58 0.01 0.00 0.00 175.29 175.29 1dee s HIS 712 N -1.29 -0.57 0.36 0.91 2.46 -1.26 -2.19 115.29 113.72 1dee s HIS 712 Ca 0.29 1.38 0.10 0.00 0.47 0.00 0.00 55.06 57.30 1dee s HIS 712 Cb -0.14 0.34 0.87 0.00 -0.13 0.00 0.00 32.58 33.51 1dee s HIS 712 CO 0.16 -0.27 1.85 -1.35 -2.47 0.00 0.00 174.74 172.65 1dee h PRO 713 N 4.46 0.62 -0.28 2.88 0.11 -1.95 -0.93 132.00 136.91 1dee h PRO 713 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1dee h PRO 713 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dee h PRO 713 CO 0.09 0.41 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 1dee n ASN 714 N -4.58 1.56 0.00 -2.05 4.13 -1.26 -4.94 115.26 108.11 1dee n ASN 714 Ca 0.19 -1.96 0.00 0.00 1.68 0.00 0.00 54.58 54.49 1dee n ASN 714 Cb 0.54 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1dee n ASN 714 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dee n GLY 715 N 0.98 3.92 3.76 7.41 0.00 -0.35 -4.21 105.19 116.70 1dee n GLY 715 Ca 0.11 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1dee n GLY 715 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dee s ASN 716 N 0.00 7.03 0.14 1.61 0.01 -1.25 -4.00 114.94 118.48 1dee s ASN 716 Ca 0.00 1.22 0.02 0.00 -0.71 0.00 0.00 52.86 53.39 1dee s ASN 716 Cb 0.00 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1dee s ASN 716 CO 0.00 0.09 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.11 1dee s LYS 717 N -0.21 1.01 0.10 -0.60 1.02 -0.88 -4.98 119.74 115.20 1dee s LYS 717 Ca 0.32 -1.46 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 1dee s LYS 717 Cb -0.19 -0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 1dee s LYS 717 CO 0.18 -0.07 0.11 -1.83 -0.92 0.00 0.00 175.35 172.83 1dee s GLU 718 N -3.87 0.85 0.05 1.68 -1.05 -1.26 -0.62 118.70 114.47 1dee s GLU 718 Ca 0.19 -1.18 -0.13 0.00 -0.15 0.00 0.00 54.97 53.70 1dee s GLU 718 Cb 0.05 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 34.05 1dee s GLU 718 CO 0.01 -0.25 0.29 0.21 0.95 0.00 0.00 175.26 176.47 1dee s LYS 719 N -3.94 0.81 -0.22 -4.83 2.47 0.35 -4.98 119.74 109.40 1dee s LYS 719 Ca 0.12 -0.53 -0.11 0.00 -1.56 0.00 0.00 55.97 53.89 1dee s LYS 719 Cb 0.06 0.35 -0.05 0.00 -1.46 0.00 0.00 37.83 36.73 1dee s LYS 719 CO -0.06 -0.26 0.17 -0.51 0.16 0.00 0.00 175.35 174.85 1dee s ASP 720 N -2.11 6.19 -0.28 1.43 1.11 -1.26 -0.48 116.67 121.27 1dee s ASP 720 Ca -0.04 0.20 -0.07 0.00 0.18 0.00 0.00 52.55 52.82 1dee s ASP 720 Cb -0.01 -2.11 -0.01 0.00 1.07 0.00 0.00 42.92 41.87 1dee s ASP 720 CO -0.04 0.11 0.08 -0.69 1.18 0.00 0.00 175.17 175.81 1dee s VAL 721 N 0.76 4.11 0.43 -1.27 1.01 0.54 -4.82 120.40 121.16 1dee s VAL 721 Ca 0.09 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1dee s VAL 721 Cb -0.13 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1dee s VAL 721 CO 0.02 0.18 1.33 -2.84 0.00 0.00 0.00 175.10 173.79 1dee s PRO 722 N 1.55 3.80 0.00 2.72 0.02 -1.26 -0.70 135.00 141.12 1dee s PRO 722 Ca 0.04 2.21 0.24 0.00 0.02 0.00 0.00 61.00 63.52 1dee s PRO 722 Cb -0.16 -2.66 0.22 0.00 0.02 0.00 0.00 34.50 31.92 1dee s PRO 722 CO 0.03 -0.65 1.28 1.28 -0.33 0.00 0.00 177.00 178.60