#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpu s PRO 418 N 0.00 3.20 0.63 4.33 0.04 -1.26 -4.96 135.00 136.98 3dpu s PRO 418 Ca 0.00 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 3dpu s PRO 418 Cb 0.00 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3dpu s PRO 418 CO 0.00 -0.92 1.04 -1.25 0.04 0.00 0.00 177.00 175.91 3dpu s PRO 419 N -3.89 3.40 0.46 0.56 0.04 -1.26 -4.86 135.00 129.45 3dpu s PRO 419 Ca 0.66 0.88 0.17 0.00 0.04 0.00 0.00 61.00 62.75 3dpu s PRO 419 Cb -0.19 -2.05 1.13 0.00 0.04 0.00 0.00 34.50 33.43 3dpu s PRO 419 CO 0.35 -0.73 1.98 -1.35 0.04 0.00 0.00 177.00 177.29 3dpu h PRO 420 N -0.26 0.29 -0.64 0.56 0.11 -1.99 -1.03 132.00 129.04 3dpu h PRO 420 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3dpu h PRO 420 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3dpu h PRO 420 CO 0.60 0.19 0.06 0.93 -0.21 0.00 0.00 178.00 179.57 3dpu h GLU 421 N 0.30 1.08 -0.06 1.05 4.39 -1.98 -0.43 114.58 118.93 3dpu h GLU 421 Ca 0.28 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 59.43 3dpu h GLU 421 Cb 0.70 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3dpu h GLU 421 CO -0.07 1.01 -0.92 0.82 -1.16 0.00 0.00 179.01 178.70 3dpu h ILE 422 N 1.00 1.30 0.72 3.13 2.04 -1.65 -3.06 117.51 120.98 3dpu h ILE 422 Ca 0.19 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.86 3dpu h ILE 422 Cb 0.48 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3dpu h ILE 422 CO 0.02 0.67 -0.39 0.58 0.00 0.00 0.00 178.15 179.03 3dpu h VAL 423 N 0.43 0.20 -1.06 1.67 2.07 -1.03 -2.49 116.25 116.03 3dpu h VAL 423 Ca -0.09 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.71 3dpu h VAL 423 Cb 1.56 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3dpu h VAL 423 CO 0.18 0.00 0.71 0.11 0.02 0.00 0.00 177.57 178.59 3dpu h LYS 424 N -1.03 0.25 0.00 1.57 6.56 -1.18 0.42 116.57 123.17 3dpu h LYS 424 Ca -0.09 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 3dpu h LYS 424 Cb 0.81 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 3dpu h LYS 424 CO 0.13 0.17 0.00 0.94 -2.06 0.00 0.00 179.45 178.62 3dpu n GLN 425 N -4.49 0.04 0.00 3.15 7.27 -0.94 -4.96 117.38 117.45 3dpu n GLN 425 Ca 0.25 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3dpu n GLN 425 Cb 0.97 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.12 3dpu n GLN 425 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dpu n GLY 426 N -0.50 1.57 0.34 1.69 0.00 0.15 -4.53 105.19 103.91 3dpu n GLY 426 Ca 0.03 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 3dpu n GLY 426 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dpu h LYS 427 N 0.00 -0.20 -0.90 1.61 5.09 -1.89 -2.36 116.57 117.91 3dpu h LYS 427 Ca 0.00 0.01 0.13 0.00 0.09 0.00 0.00 60.65 60.88 3dpu h LYS 427 Cb 0.00 0.05 -0.09 0.00 0.10 0.00 0.00 32.23 32.29 3dpu h LYS 427 CO 0.00 -0.13 0.52 1.05 -2.09 0.00 0.00 179.45 178.80 3dpu h GLU 428 N -0.21 0.77 -0.06 0.07 -0.00 -1.96 -0.02 114.58 113.18 3dpu h GLU 428 Ca 0.20 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 3dpu h GLU 428 Cb 0.54 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 29.11 3dpu h GLU 428 CO -0.61 0.51 0.03 0.00 -0.00 0.00 0.00 179.01 178.94 3dpu h ALA 429 N 1.53 0.07 -0.69 1.06 0.00 -1.67 0.13 119.26 119.69 3dpu h ALA 429 Ca 0.47 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.40 3dpu h ALA 429 Cb 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3dpu h ALA 429 CO -0.30 -0.45 0.44 0.28 0.00 0.00 0.00 179.25 179.22 3dpu h VAL 430 N 0.06 1.12 -0.14 0.00 2.07 -0.77 0.52 116.25 119.11 3dpu h VAL 430 Ca 0.03 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dpu h VAL 430 Cb 0.01 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3dpu h VAL 430 CO -0.02 0.16 0.09 0.03 0.02 0.00 0.00 177.57 177.84 3dpu h ARG 431 N 0.87 0.19 -0.17 1.57 -0.00 -0.87 -2.30 114.38 113.67 3dpu h ARG 431 Ca 0.27 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.69 3dpu h ARG 431 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.90 3dpu h ARG 431 CO -0.09 0.16 -0.08 1.96 0.00 0.00 0.00 179.97 181.91 3dpu h GLN 432 N 0.17 0.27 -0.53 0.04 1.08 0.07 0.50 115.11 116.69 3dpu h GLN 432 Ca 0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3dpu h GLN 432 Cb 0.01 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3dpu h GLN 432 CO -0.01 0.36 0.17 -0.92 -0.95 0.00 0.00 178.83 177.49 3dpu h TYR 433 N 0.26 0.85 -0.22 2.96 3.20 0.17 -2.55 116.97 121.64 3dpu h TYR 433 Ca 0.06 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3dpu h TYR 433 Cb 0.32 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3dpu h TYR 433 CO 0.01 0.73 -0.36 0.74 -1.64 0.00 0.00 178.16 177.63 3dpu h PHE 434 N 0.74 0.79 -0.59 -3.82 0.05 -0.69 -2.85 116.94 110.56 3dpu h PHE 434 Ca 0.17 -0.27 0.12 0.00 3.82 0.00 0.00 57.97 61.81 3dpu h PHE 434 Cb 0.27 -0.15 -0.09 0.00 2.00 0.00 0.00 35.95 37.97 3dpu h PHE 434 CO 0.01 1.02 0.04 1.96 -0.18 0.00 0.00 178.31 181.17 3dpu h GLN 435 N 0.33 0.15 -0.83 1.51 4.20 -0.97 -0.91 115.11 118.60 3dpu h GLN 435 Ca 0.02 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.88 3dpu h GLN 435 Cb 0.95 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.59 3dpu h GLN 435 CO 0.08 0.10 0.38 0.77 -0.67 0.00 0.00 178.83 179.49 3dpu h SER 436 N 0.16 0.39 0.45 1.46 0.02 -1.27 0.34 113.55 115.09 3dpu h SER 436 Ca 0.31 0.11 -0.31 0.00 -0.84 0.00 0.00 61.79 61.07 3dpu h SER 436 Cb 0.48 0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.11 3dpu h SER 436 CO -0.47 0.12 -1.39 0.16 -1.14 0.00 0.00 176.83 174.11 3dpu h ILE 437 N 0.50 1.35 -0.59 3.27 3.07 -1.16 -3.17 117.51 120.78 3dpu h ILE 437 Ca 0.47 -2.87 -0.09 0.00 1.55 0.00 0.00 64.86 63.92 3dpu h ILE 437 Cb 0.75 2.95 -0.02 0.00 -0.27 0.00 0.00 36.82 40.23 3dpu h ILE 437 CO -0.42 0.85 0.02 -0.33 -1.05 0.00 0.00 178.15 177.22 3dpu h GLU 438 N 0.10 1.00 -0.41 0.16 4.39 -0.89 -2.53 114.58 116.41 3dpu h GLU 438 Ca -0.20 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3dpu h GLU 438 Cb 2.06 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 3dpu h GLU 438 CO 0.23 0.97 0.15 1.05 -1.16 0.00 0.00 179.01 180.25 3dpu h GLU 439 N 0.93 0.62 -0.31 2.33 9.09 -1.04 -3.15 114.58 123.04 3dpu h GLU 439 Ca 0.17 -0.12 -0.08 0.00 0.05 0.00 0.00 59.36 59.38 3dpu h GLU 439 Cb 0.51 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.49 3dpu h GLU 439 CO 0.02 0.59 -0.15 0.00 0.05 0.00 0.00 179.01 179.52 3dpu h ALA 440 N 1.00 1.17 -0.86 1.06 0.00 -1.50 -3.17 119.26 116.95 3dpu h ALA 440 Ca 0.13 -0.30 0.22 0.00 0.00 0.00 0.00 54.91 54.97 3dpu h ALA 440 Cb 0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 3dpu h ALA 440 CO -0.01 0.53 0.26 0.00 0.00 0.00 0.00 179.25 180.03 3dpu h ARG 441 N 0.50 0.25 0.00 0.00 3.08 -1.41 0.15 114.38 116.95 3dpu h ARG 441 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3dpu h ARG 441 Cb 0.55 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3dpu h ARG 441 CO 0.04 0.17 0.00 0.66 -1.07 0.00 0.00 179.97 179.76 3dpu h SER 442 N 0.26 0.00 0.00 7.04 4.64 -1.67 -3.52 113.55 120.30 3dpu h SER 442 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 3dpu h SER 442 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3dpu h SER 442 CO -0.61 0.00 -0.77 0.29 -0.87 0.00 0.00 176.83 174.88 3dpu n LYS 443 N -2.56 0.38 0.00 4.77 4.01 0.52 -5.19 118.16 120.09 3dpu n LYS 443 Ca -0.00 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 3dpu n LYS 443 Cb 0.16 -1.16 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 3dpu n LYS 443 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3dpu n THR 626 N -4.17 0.00 -2.48 -0.18 -2.24 -1.26 -4.97 114.28 98.97 3dpu n THR 626 Ca -0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 3dpu n THR 626 Cb 0.39 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3dpu n THR 626 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3dpu s PRO 627 N 0.00 4.44 0.23 -0.78 0.02 -1.26 -5.06 135.00 132.59 3dpu s PRO 627 Ca 0.00 1.72 -0.05 0.00 0.02 0.00 0.00 61.00 62.69 3dpu s PRO 627 Cb 0.00 -2.95 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3dpu s PRO 627 CO 0.00 0.06 0.28 -0.48 -0.33 0.00 0.00 177.00 176.52 3dpu s LEU 628 N -1.90 0.90 0.44 -5.54 2.34 -1.26 -5.06 118.68 108.59 3dpu s LEU 628 Ca 0.50 -1.26 -0.23 0.00 0.06 0.00 0.00 54.13 53.20 3dpu s LEU 628 Cb -0.29 0.92 -0.09 0.00 -0.56 0.00 0.00 46.19 46.18 3dpu s LEU 628 CO 0.37 -0.98 1.06 0.00 -1.06 0.00 0.00 176.35 175.73 3dpu s ALA 629 N -4.00 3.00 0.63 1.48 0.00 -1.26 -4.93 121.76 116.67 3dpu s ALA 629 Ca 0.33 0.69 0.27 0.00 0.00 0.00 0.00 51.96 53.25 3dpu s ALA 629 Cb 0.04 -3.28 1.44 0.00 0.00 0.00 0.00 23.12 21.32 3dpu s ALA 629 CO 0.12 -0.29 1.83 -1.00 0.00 0.00 0.00 175.76 176.42 3dpu h PRO 630 N 2.12 0.00 -0.03 0.00 0.13 -2.00 -1.37 132.00 130.84 3dpu h PRO 630 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 3dpu h PRO 630 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dpu h PRO 630 CO 0.61 0.00 -0.75 0.66 -0.23 0.00 0.00 178.00 178.29 3dpu h SER 631 N 0.00 0.28 -0.20 1.44 4.64 -1.92 -2.62 113.55 115.17 3dpu h SER 631 Ca 0.11 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 61.06 3dpu h SER 631 Cb 1.04 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3dpu h SER 631 CO -0.00 0.93 -0.51 -0.50 -0.87 0.00 0.00 176.83 175.89 3dpu h TRP 632 N 0.15 0.96 -0.19 4.77 4.06 -1.62 -1.56 115.95 122.53 3dpu h TRP 632 Ca -0.03 -0.33 -0.21 0.00 2.06 0.00 0.00 58.89 60.39 3dpu h TRP 632 Cb 1.33 -0.19 0.01 0.00 -1.00 0.00 0.00 29.16 29.30 3dpu h TRP 632 CO 0.03 1.12 -0.70 -0.84 -3.56 0.00 0.00 178.44 174.48 3dpu h ILE 633 N 0.61 1.28 -0.43 1.49 -2.65 -1.63 -1.17 117.51 115.01 3dpu h ILE 633 Ca 0.02 -1.91 0.02 0.00 1.03 0.00 0.00 64.86 64.03 3dpu h ILE 633 Cb 1.09 1.88 -0.03 0.00 -2.05 0.00 0.00 36.82 37.71 3dpu h ILE 633 CO 0.11 0.61 0.25 0.11 0.03 0.00 0.00 178.15 179.25 3dpu h LYS 634 N 0.56 0.48 -0.29 0.16 6.56 -1.44 0.54 116.57 123.14 3dpu h LYS 634 Ca -0.03 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 3dpu h LYS 634 Cb 1.32 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 3dpu h LYS 634 CO 0.15 0.32 0.13 0.28 -2.06 0.00 0.00 179.45 178.26 3dpu h VAL 635 N 0.49 1.16 0.04 0.50 2.07 -1.29 -1.34 116.25 117.89 3dpu h VAL 635 Ca 0.18 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3dpu h VAL 635 Cb 0.04 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3dpu h VAL 635 CO -0.09 0.17 -0.18 0.11 0.02 0.00 0.00 177.57 177.59 3dpu h LYS 636 N 0.32 -0.31 -0.56 1.57 1.57 -0.69 0.36 116.57 118.84 3dpu h LYS 636 Ca 0.10 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3dpu h LYS 636 Cb 0.15 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3dpu h LYS 636 CO -0.01 -0.20 0.23 1.05 -0.57 0.00 0.00 179.45 179.95 3dpu h GLU 637 N -0.32 0.43 -0.23 3.15 4.11 0.14 0.17 114.58 122.03 3dpu h GLU 637 Ca 0.05 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.29 3dpu h GLU 637 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dpu h GLU 637 CO -0.15 0.28 -0.51 1.57 0.07 0.00 0.00 179.01 180.28 3dpu h LYS 638 N 0.44 0.65 -0.37 1.06 -0.00 -0.91 -1.18 116.57 116.26 3dpu h LYS 638 Ca 0.27 -0.39 -0.05 0.00 -0.00 0.00 0.00 60.65 60.48 3dpu h LYS 638 Cb 0.26 0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 32.51 3dpu h LYS 638 CO -0.24 1.00 0.03 -0.07 -0.00 0.00 0.00 179.45 180.17 3dpu h LEU 639 N 0.51 0.62 -0.15 7.07 3.38 0.25 0.27 115.31 127.26 3dpu h LEU 639 Ca 0.02 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3dpu h LEU 639 Cb 1.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3dpu h LEU 639 CO 0.10 0.75 0.04 0.58 0.09 0.00 0.00 178.44 180.01 3dpu h VAL 640 N 0.47 0.95 -0.77 1.22 2.07 -0.65 -0.14 116.25 119.40 3dpu h VAL 640 Ca 0.11 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3dpu h VAL 640 Cb 0.42 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3dpu h VAL 640 CO 0.01 0.02 0.46 -0.33 0.02 0.00 0.00 177.57 177.76 3dpu h GLU 641 N 0.11 0.83 -0.50 1.57 3.07 -1.02 -1.90 114.58 116.74 3dpu h GLU 641 Ca 0.07 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 3dpu h GLU 641 Cb 0.05 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3dpu h GLU 641 CO -0.08 0.55 -0.07 0.00 -1.40 0.00 0.00 179.01 178.01 3dpu h ALA 642 N 1.37 0.92 -0.28 3.43 0.00 -0.14 -3.16 119.26 121.40 3dpu h ALA 642 Ca 0.34 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3dpu h ALA 642 Cb 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3dpu h ALA 642 CO -0.17 0.63 0.12 0.25 0.00 0.00 0.00 179.25 180.08 3dpu n THR 643 N -4.17 1.39 -0.23 0.00 -2.24 -0.09 -2.25 114.28 106.69 3dpu n THR 643 Ca 0.02 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3dpu n THR 643 Cb 0.36 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3dpu n THR 643 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dpu n THR 644 N 0.07 0.69 0.00 4.28 -2.24 -1.16 -4.60 114.28 111.32 3dpu n THR 644 Ca 0.16 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3dpu n THR 644 Cb 0.76 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3dpu n THR 644 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dpu n ALA 645 N -0.34 1.80 -2.42 6.98 0.00 -1.16 -5.02 120.51 120.34 3dpu n ALA 645 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3dpu n ALA 645 Cb 0.28 0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.64 3dpu n ALA 645 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dpu s GLN 646 N -1.80 1.61 0.29 0.00 -0.21 -0.96 -5.03 119.66 113.56 3dpu s GLN 646 Ca 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 55.36 54.50 3dpu s GLN 646 Cb 0.00 -1.71 0.43 0.00 1.00 0.00 0.00 33.01 32.73 3dpu s GLN 646 CO 0.00 0.44 1.67 0.00 -2.12 0.00 0.00 175.29 175.28 3dpu h ARG 647 N 5.00 0.12 -3.56 2.91 -0.00 -1.87 -3.38 114.38 113.58 3dpu h ARG 647 Ca -0.43 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 58.94 3dpu h ARG 647 Cb 1.15 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 31.03 3dpu h ARG 647 CO 0.45 0.60 -0.08 1.52 0.00 0.00 0.00 179.97 182.45 3dpu s TYR 648 N -3.90 0.24 0.11 3.04 1.13 -1.26 -1.45 117.35 115.26 3dpu s TYR 648 Ca -0.03 -0.61 0.10 0.00 -1.41 0.00 0.00 57.07 55.11 3dpu s TYR 648 Cb 0.13 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 3dpu s TYR 648 CO 0.77 -0.98 -0.24 -0.51 -2.51 0.00 0.00 175.55 172.08 3dpu s LEU 649 N -2.98 2.30 0.62 -3.49 1.43 0.12 -4.99 118.68 111.69 3dpu s LEU 649 Ca 0.19 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3dpu s LEU 649 Cb -0.01 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.20 3dpu s LEU 649 CO 0.06 0.12 0.89 0.54 0.23 0.00 0.00 176.35 178.19 3dpu s ASN 650 N -1.94 5.10 0.26 2.29 2.20 -1.26 -0.70 114.94 120.90 3dpu s ASN 650 Ca 0.10 0.24 -0.01 0.00 -0.94 0.00 0.00 52.86 52.25 3dpu s ASN 650 Cb -0.10 -1.04 0.56 0.00 -2.00 0.00 0.00 41.25 38.67 3dpu s ASN 650 CO 0.05 -1.33 1.73 -0.09 -2.94 0.00 0.00 177.10 174.52 3dpu h ARG 651 N -0.24 0.48 -0.21 3.55 2.43 -1.06 -1.79 114.38 117.55 3dpu h ARG 651 Ca -0.43 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3dpu h ARG 651 Cb 1.30 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3dpu h ARG 651 CO 0.56 0.32 0.09 1.15 -1.51 0.00 0.00 179.97 180.58 3dpu h THR 652 N 0.50 1.16 -0.27 0.20 2.02 -1.95 0.44 112.91 115.01 3dpu h THR 652 Ca 0.47 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3dpu h THR 652 Cb 0.75 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3dpu h THR 652 CO -0.42 0.15 0.14 -0.33 0.37 0.00 0.00 175.52 175.43 3dpu h GLU 653 N 0.19 0.28 0.30 6.66 5.08 -1.81 -0.13 114.58 125.16 3dpu h GLU 653 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3dpu h GLU 653 Cb 0.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dpu h GLU 653 CO -0.01 0.19 -0.14 0.28 -1.00 0.00 0.00 179.01 178.32 3dpu h VAL 654 N 0.29 0.71 -0.83 3.13 2.07 -1.25 -1.89 116.25 118.49 3dpu h VAL 654 Ca 0.11 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.76 3dpu h VAL 654 Cb 0.03 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3dpu h VAL 654 CO -0.07 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.74 3dpu h GLU 655 N -0.41 0.53 0.03 1.57 5.08 -0.60 -0.43 114.58 120.35 3dpu h GLU 655 Ca -0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3dpu h GLU 655 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dpu h GLU 655 CO 0.07 0.35 -0.01 0.87 -1.00 0.00 0.00 179.01 179.29 3dpu h LYS 656 N 0.55 -0.04 -0.94 2.33 1.57 -0.78 -0.29 116.57 118.98 3dpu h LYS 656 Ca 0.41 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.33 3dpu h LYS 656 Cb 0.80 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 3dpu h LYS 656 CO -0.16 0.32 0.55 0.82 -0.57 0.00 0.00 179.45 180.41 3dpu h ILE 657 N -0.40 0.83 0.11 1.86 2.04 -0.56 -2.21 117.51 119.17 3dpu h ILE 657 Ca -0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3dpu h ILE 657 Cb 0.38 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3dpu h ILE 657 CO 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 3dpu h ASN 659 N -0.53 0.00 0.50 0.00 4.21 -0.83 -1.01 115.58 117.92 3dpu h ASN 659 Ca -0.01 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.39 3dpu h ASN 659 Cb 0.43 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 3dpu h ASN 659 CO 0.02 0.00 -0.48 0.44 -1.29 0.00 0.00 177.43 176.12 3dpu h ASP 660 N 0.00 0.00 0.15 5.81 3.32 -1.40 -2.59 116.42 121.71 3dpu h ASP 660 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dpu h ASP 660 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dpu h ASP 660 CO -0.00 0.48 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.57 3dpu n SER 661 N -3.94 1.29 0.00 6.45 7.64 -0.47 -4.95 113.62 119.65 3dpu n SER 661 Ca -0.01 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3dpu n SER 661 Cb 0.51 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3dpu n SER 661 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dpu n GLY 662 N 1.32 0.86 3.39 0.23 0.00 -0.70 -4.77 105.19 105.53 3dpu n GLY 662 Ca 0.13 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3dpu n GLY 662 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpu s ILE 663 N -2.00 5.08 -0.12 -0.61 1.01 -0.69 -4.83 121.20 119.04 3dpu s ILE 663 Ca 0.00 -1.84 0.19 0.00 0.00 0.00 0.00 60.65 59.00 3dpu s ILE 663 Cb 0.00 -4.62 -0.23 0.00 0.01 0.00 0.00 42.46 37.61 3dpu s ILE 663 CO 0.00 -1.27 0.47 0.35 0.00 0.00 0.00 174.94 174.48 3dpu n THR 664 N 4.91 0.85 -1.93 2.92 -2.24 -1.26 -3.81 114.28 113.71 3dpu n THR 664 Ca 0.16 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3dpu n THR 664 Cb 0.47 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 3dpu n THR 664 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dpu s ASP 665 N -5.26 6.57 0.50 3.42 3.68 -1.26 -4.88 116.67 119.44 3dpu s ASP 665 Ca -0.07 2.28 0.16 0.00 2.13 0.00 0.00 52.55 57.05 3dpu s ASP 665 Cb 0.10 -2.53 1.21 0.00 -1.45 0.00 0.00 42.92 40.25 3dpu s ASP 665 CO 0.85 -1.00 2.12 -0.65 0.13 0.00 0.00 175.17 176.62 3dpu h PRO 666 N 9.99 0.01 -0.06 4.34 0.11 -1.99 0.64 132.00 145.04 3dpu h PRO 666 Ca -0.41 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.45 3dpu h PRO 666 Cb 1.19 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dpu h PRO 666 CO 0.95 0.04 -0.93 0.78 -0.21 0.00 0.00 178.00 178.63 3dpu h GLY 667 N 0.11 0.78 0.98 -0.55 0.00 -1.99 -1.92 103.07 100.48 3dpu h GLY 667 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 47.33 46.02 3dpu h GLY 667 CO 0.00 1.11 0.06 -2.09 0.00 0.00 0.00 176.54 175.62 3dpu h GLU 668 N 0.43 0.81 -0.52 4.80 4.81 -1.76 -1.22 114.58 121.94 3dpu h GLU 668 Ca -0.09 -0.23 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3dpu h GLU 668 Cb 1.57 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.79 3dpu h GLU 668 CO 0.18 0.83 0.09 0.00 -0.73 0.00 0.00 179.01 179.38 3dpu h ARG 669 N 0.68 0.21 -0.02 1.92 3.08 -0.89 -1.95 114.38 117.41 3dpu h ARG 669 Ca 0.14 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3dpu h ARG 669 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3dpu h ARG 669 CO 0.01 0.14 -0.49 0.87 -1.07 0.00 0.00 179.97 179.43 3dpu h LYS 670 N 0.22 0.05 0.04 0.04 1.57 -1.03 -1.73 116.57 115.73 3dpu h LYS 670 Ca 0.26 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.79 3dpu h LYS 670 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3dpu h LYS 670 CO -0.36 0.53 -1.01 1.79 -0.57 0.00 0.00 179.45 179.83 3dpu h THR 671 N 0.04 1.52 -0.27 -0.16 1.35 -0.94 -2.44 112.91 112.00 3dpu h THR 671 Ca -0.00 -2.86 -0.16 0.00 -0.55 0.00 0.00 66.41 62.84 3dpu h THR 671 Cb 0.89 2.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3dpu h THR 671 CO 0.07 0.83 -0.45 0.25 -0.25 0.00 0.00 175.52 175.97 3dpu h LEU 672 N 0.09 0.87 -1.16 3.87 5.85 -1.23 0.53 115.31 124.13 3dpu h LEU 672 Ca -0.07 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.07 3dpu h LEU 672 Cb 1.70 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3dpu h LEU 672 CO 0.16 1.23 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.34 3dpu h LEU 673 N 0.54 0.47 -0.70 2.25 3.38 -1.40 0.06 115.31 119.92 3dpu h LEU 673 Ca 0.02 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3dpu h LEU 673 Cb 1.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3dpu h LEU 673 CO 0.10 0.59 -0.52 1.23 0.09 0.00 0.00 178.44 179.94 3dpu h GLY 674 N 0.88 0.38 0.68 0.83 0.00 -1.28 -0.34 103.07 104.22 3dpu h GLY 674 Ca 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3dpu h GLY 674 CO 0.02 0.38 -0.20 -1.82 0.00 0.00 0.00 176.54 174.92 3dpu h TYR 675 N 0.27 -0.52 -0.55 5.60 -0.00 -0.52 -1.36 116.97 119.90 3dpu h TYR 675 Ca 0.01 -0.01 0.11 0.00 -0.00 0.00 0.00 58.73 58.83 3dpu h TYR 675 Cb 1.01 0.17 -0.03 0.00 -0.00 0.00 0.00 36.73 37.88 3dpu h TYR 675 CO 0.03 -0.19 0.37 -0.07 -0.00 0.00 0.00 178.16 178.29 3dpu h LEU 676 N -0.89 0.25 0.14 2.82 3.38 -0.99 -2.28 115.31 117.74 3dpu h LEU 676 Ca -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dpu h LEU 676 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dpu h LEU 676 CO 0.09 0.15 -0.07 -1.13 0.09 0.00 0.00 178.44 177.58 3dpu h ASN 677 N 0.28 -0.16 0.00 -0.43 -1.24 -0.89 -2.53 115.58 110.61 3dpu h ASN 677 Ca 0.26 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3dpu h ASN 677 Cb 0.63 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3dpu h ASN 677 CO -0.06 0.30 0.25 0.78 -1.29 0.00 0.00 177.43 177.41 3dpu h ASN 678 N -0.65 0.00 -0.28 1.15 2.35 -0.68 0.14 115.58 117.61 3dpu h ASN 678 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dpu h ASN 678 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3dpu h ASN 678 CO 0.03 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 3dpu n LEU 679 N -2.37 2.96 -1.61 1.61 4.77 -1.03 -4.98 117.00 116.35 3dpu n LEU 679 Ca -0.01 -1.48 -0.20 0.00 -0.03 0.00 0.00 56.01 54.29 3dpu n LEU 679 Cb 0.28 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3dpu n LEU 679 CO 0.09 0.64 -0.19 0.61 -1.33 0.00 0.00 177.39 177.21 3dpu n GLY 680 N 1.06 1.80 0.14 -0.72 0.00 0.48 -4.84 105.19 103.11 3dpu n GLY 680 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3dpu n GLY 680 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dpu h ILE 681 N 0.00 1.28 -2.92 -0.61 2.04 -1.68 -3.46 117.51 112.16 3dpu h ILE 681 Ca -0.41 -2.77 -0.17 0.00 1.00 0.00 0.00 64.86 62.51 3dpu h ILE 681 Cb 1.29 2.97 -0.29 0.00 -0.74 0.00 0.00 36.82 40.05 3dpu h ILE 681 CO 0.59 0.84 -0.43 -0.69 0.00 0.00 0.00 178.15 178.46 3dpu s VAL 682 N -2.61 -0.04 0.06 1.67 1.01 -1.15 -4.72 120.40 114.62 3dpu s VAL 682 Ca -0.09 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 3dpu s VAL 682 Cb 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3dpu s VAL 682 CO 0.92 0.05 0.81 -0.76 0.00 0.00 0.00 175.10 176.12 3dpu s LEU 683 N 1.28 4.45 -0.15 3.92 1.43 -0.37 -2.82 118.68 126.44 3dpu s LEU 683 Ca -0.09 1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.47 3dpu s LEU 683 Cb -0.10 -3.31 0.06 0.00 0.03 0.00 0.00 46.19 42.88 3dpu s LEU 683 CO -0.10 -0.01 0.32 -0.47 0.23 0.00 0.00 176.35 176.32 3dpu s TYR 684 N -0.00 -0.51 -0.60 0.29 5.04 -1.26 -0.53 117.35 119.77 3dpu s TYR 684 Ca 0.41 1.11 -0.02 0.00 -2.44 0.00 0.00 57.07 56.12 3dpu s TYR 684 Cb -0.21 0.11 0.15 0.00 0.35 0.00 0.00 41.96 42.37 3dpu s TYR 684 CO 0.24 -0.35 0.40 -0.06 -1.34 0.00 0.00 175.55 174.45 3dpu s PHE 685 N 2.00 3.42 0.38 4.97 0.08 -1.26 -4.91 117.98 122.65 3dpu s PHE 685 Ca -0.04 -2.71 0.16 0.00 0.12 0.00 0.00 56.93 54.47 3dpu s PHE 685 Cb -0.11 -3.18 1.05 0.00 -0.57 0.00 0.00 43.02 40.21 3dpu s PHE 685 CO -0.10 -0.85 1.76 1.05 -0.10 0.00 0.00 175.22 176.98 3dpu h GLU 686 N 7.11 0.42 -0.42 0.44 4.11 -1.98 -1.69 114.58 122.58 3dpu h GLU 686 Ca -0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 3dpu h GLU 686 Cb 0.96 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3dpu h GLU 686 CO 0.71 0.28 -0.08 0.00 0.07 0.00 0.00 179.01 180.00 3dpu h ALA 687 N 1.64 1.09 -2.24 1.06 0.00 -2.04 -3.45 119.26 115.33 3dpu h ALA 687 Ca 0.61 -0.29 -0.47 0.00 0.00 0.00 0.00 54.91 54.75 3dpu h ALA 687 Cb 1.44 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 19.09 3dpu h ALA 687 CO -0.33 0.57 0.37 -0.51 0.00 0.00 0.00 179.25 179.35 3dpu s LEU 688 N -9.04 3.64 -0.49 0.00 1.02 -0.64 -5.04 118.68 108.14 3dpu s LEU 688 Ca -0.09 1.70 0.07 0.00 0.02 0.00 0.00 54.13 55.82 3dpu s LEU 688 Cb 0.14 -4.52 0.24 0.00 0.02 0.00 0.00 46.19 42.06 3dpu s LEU 688 CO 0.81 -0.76 0.57 0.47 0.02 0.00 0.00 176.35 177.46 3dpu n ASP 689 N -1.56 1.43 -3.44 2.29 8.00 -1.26 -4.98 116.55 117.04 3dpu n ASP 689 Ca 0.08 -2.93 -0.15 0.00 0.71 0.00 0.00 54.79 52.49 3dpu n ASP 689 Cb 0.53 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 3dpu n ASP 689 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dpu s LEU 690 N -1.49 -0.29 0.46 0.64 2.96 -1.26 -5.01 118.68 114.70 3dpu s LEU 690 Ca 0.36 -0.15 0.25 0.00 -0.22 0.00 0.00 54.13 54.37 3dpu s LEU 690 Cb 0.14 0.63 0.57 0.00 0.50 0.00 0.00 46.19 48.02 3dpu s LEU 690 CO -0.09 -0.33 1.69 0.77 -1.32 0.00 0.00 176.35 177.08 3dpu h SER 691 N 8.27 0.00 -0.96 3.68 4.64 -1.98 -3.13 113.55 124.06 3dpu h SER 691 Ca -0.17 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3dpu h SER 691 Cb 1.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 3dpu h SER 691 CO 0.29 0.01 0.63 -0.08 -0.87 0.00 0.00 176.83 176.80 3dpu h GLU 692 N 0.00 1.18 -3.30 4.77 4.81 -1.95 0.12 114.58 120.22 3dpu h GLU 692 Ca -0.00 -0.07 -0.63 0.00 -0.13 0.00 0.00 59.36 58.52 3dpu h GLU 692 Cb 0.89 -0.27 -0.41 0.00 0.63 0.00 0.00 28.75 29.60 3dpu h GLU 692 CO 0.00 0.78 -0.65 0.42 -0.73 0.00 0.00 179.01 178.83 3dpu s ILE 693 N -6.03 2.39 -0.23 2.32 1.01 -1.18 -4.12 121.20 115.36 3dpu s ILE 693 Ca -0.12 -3.23 -0.13 0.00 0.00 0.00 0.00 60.65 57.17 3dpu s ILE 693 Cb 0.19 -2.66 -0.10 0.00 0.01 0.00 0.00 42.46 39.91 3dpu s ILE 693 CO 0.81 -0.83 -0.31 0.00 0.00 0.00 0.00 174.94 174.61 3dpu n TYR 694 N 3.13 0.00 -4.74 3.97 9.36 0.13 -4.79 117.16 124.22 3dpu n TYR 694 Ca 0.06 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.99 3dpu n TYR 694 Cb 0.33 -0.80 -0.17 0.00 -0.63 0.00 0.00 39.34 38.07 3dpu n TYR 694 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3dpu s VAL 695 N -2.50 1.71 0.15 2.97 1.01 -0.73 -4.44 120.40 118.56 3dpu s VAL 695 Ca -0.33 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 60.97 3dpu s VAL 695 Cb 0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3dpu s VAL 695 CO 0.42 0.48 -0.22 -0.76 0.00 0.00 0.00 175.10 175.02 3dpu s LEU 696 N 0.71 2.51 -0.30 3.92 1.02 0.31 -0.70 118.68 126.15 3dpu s LEU 696 Ca -0.12 -0.71 -0.28 0.00 0.02 0.00 0.00 54.13 53.04 3dpu s LEU 696 Cb -0.16 -1.33 0.01 0.00 0.02 0.00 0.00 46.19 44.73 3dpu s LEU 696 CO 0.02 0.16 1.02 -0.62 0.02 0.00 0.00 176.35 176.95 3dpu s ASP 697 N -2.31 6.92 0.25 2.29 2.15 -0.53 -1.23 116.67 124.21 3dpu s ASP 697 Ca 0.18 1.05 -0.03 0.00 0.43 0.00 0.00 52.55 54.18 3dpu s ASP 697 Cb -0.09 -2.52 0.51 0.00 -0.30 0.00 0.00 42.92 40.51 3dpu s ASP 697 CO 0.09 -0.80 1.70 -0.65 -0.17 0.00 0.00 175.17 175.34 3dpu h PRO 698 N 7.98 0.34 -0.13 4.34 0.11 -1.88 -2.09 132.00 140.66 3dpu h PRO 698 Ca -0.21 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 3dpu h PRO 698 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3dpu h PRO 698 CO 1.00 0.22 0.08 1.25 -0.21 0.00 0.00 178.00 180.34 3dpu h HIS 699 N 0.35 0.18 -0.87 0.65 2.76 -1.95 0.15 115.15 116.41 3dpu h HIS 699 Ca 0.44 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.76 3dpu h HIS 699 Cb 0.75 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 3dpu h HIS 699 CO -0.21 0.17 0.56 2.35 -1.30 0.00 0.00 177.93 179.50 3dpu h TRP 700 N 0.14 0.75 -0.01 5.26 7.01 -1.76 -0.53 115.95 126.81 3dpu h TRP 700 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3dpu h TRP 700 Cb 0.04 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 3dpu h TRP 700 CO -0.05 0.27 -0.04 0.28 -2.79 0.00 0.00 178.44 176.11 3dpu h VAL 701 N 0.63 1.55 -0.15 2.65 2.07 -1.17 -3.01 116.25 118.81 3dpu h VAL 701 Ca 0.44 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 66.33 3dpu h VAL 701 Cb 0.76 2.66 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 3dpu h VAL 701 CO -0.19 0.44 -0.41 0.74 0.02 0.00 0.00 177.57 178.17 3dpu h THR 702 N -0.65 0.16 0.00 2.57 2.02 0.36 -0.10 112.91 117.27 3dpu h THR 702 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dpu h THR 702 Cb 0.74 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3dpu h THR 702 CO 0.01 0.00 0.00 0.16 0.37 0.00 0.00 175.52 176.06 3dpu h ILE 703 N -0.47 0.00 0.09 3.11 -0.00 -1.30 -0.98 117.51 117.96 3dpu h ILE 703 Ca 0.08 -0.41 -0.00 0.00 -0.00 0.00 0.00 64.86 64.53 3dpu h ILE 703 Cb 0.61 1.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.72 3dpu h ILE 703 CO -0.40 0.00 -0.04 1.23 -0.00 0.00 0.00 178.15 178.93 3dpu h GLY 704 N 3.25 -0.12 1.28 0.16 0.00 -0.99 -1.26 103.07 105.39 3dpu h GLY 704 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3dpu h GLY 704 CO 0.00 -0.05 0.09 -0.24 0.00 0.00 0.00 176.54 176.34 3dpu h VAL 705 N -0.59 1.24 -0.09 4.60 3.04 -0.95 -2.48 116.25 121.03 3dpu h VAL 705 Ca -0.01 -0.93 0.02 0.00 -1.01 0.00 0.00 66.70 64.76 3dpu h VAL 705 Cb 0.49 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 30.47 3dpu h VAL 705 CO 0.02 0.34 -0.04 0.22 -1.01 0.00 0.00 177.57 177.10 3dpu h TYR 706 N 0.84 -0.09 -0.96 3.17 3.20 -1.22 -1.57 116.97 120.35 3dpu h TYR 706 Ca 0.17 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.12 3dpu h TYR 706 Cb 0.38 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 3dpu h TYR 706 CO 0.02 -0.06 0.61 0.00 -1.64 0.00 0.00 178.16 177.09 3dpu h ARG 707 N -0.03 1.07 0.79 1.82 3.08 -1.00 -1.01 114.38 119.11 3dpu h ARG 707 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3dpu h ARG 707 Cb 0.10 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 29.92 3dpu h ARG 707 CO -0.11 0.71 -0.38 0.82 -1.07 0.00 0.00 179.97 179.94 3dpu h ILE 708 N 1.11 0.00 -0.05 2.04 1.08 -1.24 -2.72 117.51 117.73 3dpu h ILE 708 Ca 0.42 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.74 3dpu h ILE 708 Cb 0.18 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3dpu h ILE 708 CO -0.18 0.00 -0.16 0.16 -0.69 0.00 0.00 178.15 177.28 3dpu h ILE 709 N -1.16 1.15 -0.56 -0.67 3.07 -1.10 -2.50 117.51 115.73 3dpu h ILE 709 Ca -0.11 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.63 3dpu h ILE 709 Cb 0.81 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 3dpu h ILE 709 CO 0.18 0.20 0.00 0.59 -1.05 0.00 0.00 178.15 178.07 3dpu n ASN 710 N -4.31 4.97 -4.80 2.16 5.03 -0.40 -4.86 115.26 113.06 3dpu n ASN 710 Ca -0.02 -2.69 -0.34 0.00 0.87 0.00 0.00 54.58 52.40 3dpu n ASN 710 Cb 0.25 -0.60 -0.02 0.00 -1.02 0.00 0.00 39.78 38.38 3dpu n ASN 710 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3dpu s SER 711 N -1.00 6.21 0.42 6.41 0.15 -0.94 -4.96 113.70 119.99 3dpu s SER 711 Ca 0.50 1.93 0.21 0.00 0.70 0.00 0.00 55.95 59.30 3dpu s SER 711 Cb 0.36 -2.56 0.88 0.00 -1.71 0.00 0.00 66.02 62.99 3dpu s SER 711 CO 0.19 -0.87 1.82 0.77 1.20 0.00 0.00 173.24 176.35 3dpu h SER 712 N 1.37 0.00 0.57 5.45 4.64 -1.90 -2.88 113.55 120.80 3dpu h SER 712 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3dpu h SER 712 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3dpu h SER 712 CO 0.59 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 177.12 3dpu n LYS 713 N -3.55 0.07 -0.08 4.77 4.76 -1.26 -2.75 118.16 120.12 3dpu n LYS 713 Ca -0.01 0.16 0.06 0.00 -2.87 0.00 0.00 58.31 55.65 3dpu n LYS 713 Cb 0.43 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.22 3dpu n LYS 713 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3dpu n THR 714 N -1.44 1.50 -0.18 -0.18 -2.24 -1.10 -4.71 114.28 105.92 3dpu n THR 714 Ca 0.06 -1.64 0.09 0.00 -2.27 0.00 0.00 64.05 60.29 3dpu n THR 714 Cb 0.20 0.11 0.17 0.00 -2.10 0.00 0.00 70.33 68.71 3dpu n THR 714 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dpu n LYS 715 N -0.86 -0.04 -0.38 -0.78 5.02 -1.11 -1.86 118.16 118.15 3dpu n LYS 715 Ca 0.10 0.79 0.07 0.00 -2.02 0.00 0.00 58.31 57.24 3dpu n LYS 715 Cb 0.49 -1.28 0.19 0.00 -0.02 0.00 0.00 35.03 34.41 3dpu n LYS 715 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dpu n ASN 716 N -4.60 2.54 0.00 4.39 3.02 -1.25 -4.68 115.26 114.68 3dpu n ASN 716 Ca 0.13 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.32 3dpu n ASN 716 Cb 0.44 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3dpu n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dpu n GLY 717 N -1.13 1.05 3.57 7.41 0.00 -0.77 -4.01 105.19 111.31 3dpu n GLY 717 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3dpu n GLY 717 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dpu s HIS 718 N -3.61 3.22 -0.44 1.61 3.76 -1.26 0.58 115.29 119.15 3dpu s HIS 718 Ca 0.00 0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 54.83 3dpu s HIS 718 Cb 0.00 -2.51 0.06 0.00 1.11 0.00 0.00 32.58 31.24 3dpu s HIS 718 CO 0.00 -0.29 0.32 -1.17 -0.85 0.00 0.00 174.74 172.75 3dpu s LEU 719 N 1.87 5.31 -0.82 0.89 2.96 0.31 -4.42 118.68 124.79 3dpu s LEU 719 Ca 0.09 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.53 3dpu s LEU 719 Cb -0.16 -2.11 0.10 0.00 0.50 0.00 0.00 46.19 44.51 3dpu s LEU 719 CO 0.11 -0.56 1.09 0.21 -1.32 0.00 0.00 176.35 175.88 3dpu s ASN 720 N 2.20 6.41 0.40 3.68 3.84 -1.26 -0.47 114.94 129.75 3dpu s ASN 720 Ca 0.04 -1.51 0.25 0.00 0.21 0.00 0.00 52.86 51.84 3dpu s ASN 720 Cb -0.22 -2.43 1.35 0.00 -0.55 0.00 0.00 41.25 39.40 3dpu s ASN 720 CO 0.06 -1.28 1.61 0.71 -2.79 0.00 0.00 177.10 175.41 3dpu h THR 721 N 5.99 0.10 0.00 -5.21 1.35 -0.94 0.77 112.91 114.97 3dpu h THR 721 Ca -0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3dpu h THR 721 Cb 1.04 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3dpu h THR 721 CO 1.17 0.02 0.09 0.77 -0.25 0.00 0.00 175.52 177.32 3dpu h SER 722 N 0.09 0.00 0.52 5.36 4.64 -1.91 0.49 113.55 122.74 3dpu h SER 722 Ca 0.82 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.14 3dpu h SER 722 Cb 2.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.45 3dpu h SER 722 CO -0.57 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.31 3dpu n ALA 723 N -1.93 2.66 -0.09 5.18 0.00 0.27 -4.31 120.51 122.29 3dpu n ALA 723 Ca -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 3dpu n ALA 723 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3dpu n ALA 723 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpu h LEU 724 N 0.25 0.17 -1.30 0.00 3.38 -0.14 0.34 115.31 118.02 3dpu h LEU 724 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3dpu h LEU 724 Cb 0.35 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3dpu h LEU 724 CO 0.00 0.14 0.53 1.23 0.09 0.00 0.00 178.44 180.43 3dpu h GLY 725 N 0.29 1.12 0.72 0.83 0.00 -1.77 -0.19 103.07 104.06 3dpu h GLY 725 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 3dpu h GLY 725 CO -0.12 0.20 -0.40 -1.82 0.00 0.00 0.00 176.54 174.40 3dpu h TYR 726 N 0.80 0.51 -0.94 5.60 3.20 -1.61 -3.04 116.97 121.49 3dpu h TYR 726 Ca 0.37 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3dpu h TYR 726 Cb 0.38 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3dpu h TYR 726 CO -0.00 1.00 0.62 0.82 -1.64 0.00 0.00 178.16 178.97 3dpu h ILE 727 N -0.12 1.23 0.00 1.81 2.04 0.59 -2.28 117.51 120.78 3dpu h ILE 727 Ca -0.03 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dpu h ILE 727 Cb 1.07 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3dpu h ILE 727 CO 0.08 0.23 -0.75 -0.07 0.00 0.00 0.00 178.15 177.64 3dpu h LEU 728 N 1.27 0.00 0.00 1.44 3.38 -1.19 -3.40 115.31 116.81 3dpu h LEU 728 Ca 0.35 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3dpu h LEU 728 Cb -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dpu h LEU 728 CO -0.08 0.05 -1.32 0.59 0.09 0.00 0.00 178.44 177.77 3dpu n ASN 729 N -2.46 0.99 -0.02 -0.43 4.13 -1.15 -4.71 115.26 111.62 3dpu n ASN 729 Ca 0.02 0.05 0.06 0.00 1.68 0.00 0.00 54.58 56.39 3dpu n ASN 729 Cb 0.50 -0.15 -0.13 0.00 -1.54 0.00 0.00 39.78 38.46 3dpu n ASN 729 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3dpu n GLU 730 N -3.15 0.65 0.00 3.52 4.07 -0.89 -5.04 120.64 119.80 3dpu n GLU 730 Ca -0.11 -0.13 0.06 0.00 -0.06 0.00 0.00 57.16 56.92 3dpu n GLU 730 Cb 0.58 -1.40 0.30 0.00 -0.06 0.00 0.00 31.44 30.86 3dpu n GLU 730 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3dpu n GLU 731 N -2.16 0.19 -2.74 5.31 2.13 -1.04 -5.08 120.64 117.27 3dpu n GLU 731 Ca -0.06 0.15 -0.04 0.00 0.66 0.00 0.00 57.16 57.87 3dpu n GLU 731 Cb 0.52 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.70 3dpu n GLU 731 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3dpu n ASN 743 N -1.24 -2.79 0.00 4.31 4.13 -1.26 -5.05 115.26 113.36 3dpu n ASN 743 Ca 0.06 1.25 0.07 0.00 1.68 0.00 0.00 54.58 57.63 3dpu n ASN 743 Cb 0.08 -4.08 0.36 0.00 -1.54 0.00 0.00 39.78 34.60 3dpu n ASN 743 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3dpu n ASN 744 N 1.99 0.00 0.22 6.41 3.02 -1.26 -2.31 115.26 123.33 3dpu n ASN 744 Ca -0.28 0.10 0.05 0.00 -0.03 0.00 0.00 54.58 54.42 3dpu n ASN 744 Cb 0.44 -0.30 0.48 0.00 -0.61 0.00 0.00 39.78 39.79 3dpu n ASN 744 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3dpu h LYS 745 N 0.00 0.00 -1.23 3.52 3.64 -2.04 -3.21 116.57 117.25 3dpu h LYS 745 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3dpu h LYS 745 Cb 0.14 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 31.73 3dpu h LYS 745 CO 0.00 0.24 0.69 1.19 -2.27 0.00 0.00 179.45 179.30 3dpu n PHE 746 N -4.16 2.54 -3.35 1.91 3.01 -0.98 -4.91 117.46 111.53 3dpu n PHE 746 Ca -0.02 -2.59 -0.34 0.00 1.01 0.00 0.00 57.45 55.51 3dpu n PHE 746 Cb 0.30 -1.25 -0.06 0.00 -0.01 0.00 0.00 39.48 38.46 3dpu n PHE 746 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3dpu s THR 747 N -3.79 4.85 -0.18 4.37 2.01 -1.21 -4.76 115.64 116.93 3dpu s THR 747 Ca 0.51 0.72 -0.04 0.00 0.31 0.00 0.00 61.69 63.19 3dpu s THR 747 Cb 0.40 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 69.29 3dpu s THR 747 CO -0.01 0.07 0.07 -0.31 -0.69 0.00 0.00 174.62 173.74 3dpu s TYR 748 N -1.67 0.56 0.76 4.92 2.02 -1.26 -5.06 117.35 117.61 3dpu s TYR 748 Ca 0.44 -0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 56.52 3dpu s TYR 748 Cb -0.13 -0.83 0.09 0.00 -0.40 0.00 0.00 41.96 40.69 3dpu s TYR 748 CO 0.20 -0.55 1.08 0.95 -1.57 0.00 0.00 175.55 175.66 3dpu s THR 749 N 2.02 2.19 0.17 -0.71 -4.23 -1.26 -4.73 115.64 109.08 3dpu s THR 749 Ca 0.01 -0.24 -0.21 0.00 -1.18 0.00 0.00 61.69 60.07 3dpu s THR 749 Cb -0.16 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.81 3dpu s THR 749 CO -0.08 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 175.86 3dpu h LEU 750 N -0.80 -0.84 -0.76 4.79 5.85 -2.01 0.20 115.31 121.74 3dpu h LEU 750 Ca -0.44 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3dpu h LEU 750 Cb 1.30 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 3dpu h LEU 750 CO 0.55 -0.27 0.35 0.25 -0.34 0.00 0.00 178.44 178.98 3dpu h LEU 751 N -0.19 1.01 -0.73 2.25 5.85 -1.99 -1.30 115.31 120.21 3dpu h LEU 751 Ca 0.19 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3dpu h LEU 751 Cb 0.48 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3dpu h LEU 751 CO -0.50 0.87 0.24 -0.33 -0.34 0.00 0.00 178.44 178.37 3dpu h GLU 752 N 1.08 1.13 -0.31 1.25 5.08 -1.53 -1.49 114.58 119.78 3dpu h GLU 752 Ca 0.26 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 3dpu h GLU 752 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3dpu h GLU 752 CO -0.03 0.96 -0.43 -0.56 -1.00 0.00 0.00 179.01 177.95 3dpu h GLN 753 N 1.07 0.78 -0.59 2.33 3.07 -0.45 -1.95 115.11 119.37 3dpu h GLN 753 Ca 0.24 -0.43 0.12 0.00 0.09 0.00 0.00 58.65 58.66 3dpu h GLN 753 Cb 0.29 0.02 -0.09 0.00 0.08 0.00 0.00 27.48 27.79 3dpu h GLN 753 CO -0.01 1.06 0.06 0.00 0.09 0.00 0.00 178.83 180.03 3dpu h ARG 754 N 0.63 0.17 -0.25 0.06 2.47 -1.01 -2.32 114.38 114.14 3dpu h ARG 754 Ca 0.04 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 3dpu h ARG 754 Cb 1.00 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 3dpu h ARG 754 CO 0.10 0.11 -0.30 -0.92 0.56 0.00 0.00 179.97 179.52 3dpu h TYR 755 N 0.18 0.58 -0.95 3.04 3.20 -1.14 -2.74 116.97 119.14 3dpu h TYR 755 Ca 0.31 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 62.06 3dpu h TYR 755 Cb 0.48 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 3dpu h TYR 755 CO -0.30 0.76 0.63 1.25 -1.64 0.00 0.00 178.16 178.85 3dpu h LEU 756 N 0.44 1.07 -0.63 2.82 5.85 -0.81 -0.94 115.31 123.10 3dpu h LEU 756 Ca 0.06 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3dpu h LEU 756 Cb 0.75 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3dpu h LEU 756 CO 0.06 0.75 0.41 -0.07 -0.34 0.00 0.00 178.44 179.25 3dpu h LEU 757 N 1.25 0.68 -0.93 2.25 3.38 -1.20 0.18 115.31 120.92 3dpu h LEU 757 Ca 0.36 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.34 3dpu h LEU 757 Cb -0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3dpu h LEU 757 CO -0.10 0.49 0.62 0.44 0.09 0.00 0.00 178.44 179.97 3dpu h ASP 758 N 0.81 1.05 -0.41 -0.43 3.32 -1.12 0.12 116.42 119.77 3dpu h ASP 758 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3dpu h ASP 758 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3dpu h ASP 758 CO -0.07 0.75 0.17 0.40 -1.72 0.00 0.00 179.24 178.77 3dpu h ILE 759 N 1.24 1.19 -0.83 0.35 2.04 -0.69 -1.04 117.51 119.77 3dpu h ILE 759 Ca 0.35 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3dpu h ILE 759 Cb -0.10 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3dpu h ILE 759 CO -0.09 0.21 0.48 0.24 0.00 0.00 0.00 178.15 178.99 3dpu h MET 760 N 0.52 1.14 -0.63 2.37 2.86 -0.39 0.12 114.93 120.91 3dpu h MET 760 Ca 0.14 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3dpu h MET 760 Cb 0.17 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3dpu h MET 760 CO -0.01 0.82 0.42 0.87 1.06 0.00 0.00 176.91 180.06 3dpu h LYS 761 N 1.15 0.84 -0.19 1.72 1.57 -0.65 -0.79 116.57 120.21 3dpu h LYS 761 Ca 0.29 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dpu h LYS 761 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3dpu h LYS 761 CO -0.05 0.56 0.10 0.37 -0.57 0.00 0.00 179.45 179.86 3dpu h GLN 762 N 0.86 0.25 -0.17 3.15 5.75 -0.01 -0.87 115.11 124.08 3dpu h GLN 762 Ca 0.23 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3dpu h GLN 762 Cb -0.09 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3dpu h GLN 762 CO -0.05 0.19 0.00 1.19 -2.65 0.00 0.00 178.83 177.51 3dpu n PHE 763 N -4.48 0.21 -3.97 3.99 3.72 0.30 -4.94 117.46 112.29 3dpu n PHE 763 Ca -0.00 -0.11 -0.28 0.00 -0.05 0.00 0.00 57.45 57.01 3dpu n PHE 763 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 3dpu n PHE 763 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3dpu n GLU 764 N 0.20 -3.91 0.00 -1.08 1.02 -0.33 -4.91 120.64 111.64 3dpu n GLU 764 Ca 0.15 0.46 0.11 0.00 -0.02 0.00 0.00 57.16 57.86 3dpu n GLU 764 Cb 0.29 -4.93 -0.09 0.00 -0.02 0.00 0.00 31.44 26.68 3dpu n GLU 764 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dpu n LEU 765 N -4.43 0.61 -3.72 -4.62 4.77 -0.37 -4.77 117.00 104.47 3dpu n LEU 765 Ca -0.16 -0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 55.55 3dpu n LEU 765 Cb 0.61 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 3dpu n LEU 765 CO 0.77 0.13 0.75 0.00 -1.33 0.00 0.00 177.39 177.71 3dpu s TYR 767 N -3.18 1.22 -0.31 0.00 -0.85 0.22 -4.36 117.35 110.09 3dpu s TYR 767 Ca 0.12 -1.37 -0.12 0.00 -0.52 0.00 0.00 57.07 55.18 3dpu s TYR 767 Cb -0.01 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.92 3dpu s TYR 767 CO 0.01 -0.89 0.24 0.34 -1.52 0.00 0.00 175.55 173.72 3dpu s ASP 768 N -3.23 6.07 0.05 -0.18 3.68 -1.26 -0.07 116.67 121.72 3dpu s ASP 768 Ca 0.35 -0.20 -0.22 0.00 2.13 0.00 0.00 52.55 54.61 3dpu s ASP 768 Cb 0.03 -2.14 -0.14 0.00 -1.45 0.00 0.00 42.92 39.21 3dpu s ASP 768 CO 0.19 -0.17 1.49 -0.08 0.13 0.00 0.00 175.17 176.74 3dpu h GLU 769 N 8.42 0.17 -1.43 4.34 4.81 -1.42 -3.48 114.58 125.99 3dpu h GLU 769 Ca -0.33 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 58.98 3dpu h GLU 769 Cb 1.17 -0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.30 3dpu h GLU 769 CO 0.61 0.40 0.17 0.20 -0.73 0.00 0.00 179.01 179.66 3dpu s GLY 770 N -2.89 -0.30 -0.80 1.92 0.00 -1.26 -5.08 107.32 98.90 3dpu s GLY 770 Ca -0.14 2.87 0.02 0.00 0.00 0.00 0.00 44.72 47.46 3dpu s GLY 770 CO 0.70 2.97 0.82 0.28 0.00 0.00 0.00 173.10 177.87 3dpu n LYS 771 N 4.71 2.71 -0.96 2.90 5.02 -1.26 -4.63 118.16 126.64 3dpu n LYS 771 Ca -0.13 -4.56 0.00 0.00 -2.02 0.00 0.00 58.31 51.60 3dpu n LYS 771 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 3dpu n LYS 771 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dpu n GLY 772 N 1.60 0.50 3.48 0.72 0.00 -1.26 -5.00 105.19 105.22 3dpu n GLY 772 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3dpu n GLY 772 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dpu s LEU 773 N 0.00 3.37 -0.05 0.99 1.98 -1.26 -0.16 118.68 123.56 3dpu s LEU 773 Ca 0.00 -0.16 0.03 0.00 -2.89 0.00 0.00 54.13 51.12 3dpu s LEU 773 Cb 0.00 -1.86 -0.03 0.00 0.66 0.00 0.00 46.19 44.96 3dpu s LEU 773 CO 0.00 0.07 -0.13 -0.36 -1.89 0.00 0.00 176.35 174.04 3dpu s PHE 774 N 0.97 2.75 -0.14 5.38 0.40 0.38 -1.00 117.98 126.72 3dpu s PHE 774 Ca 0.02 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 3dpu s PHE 774 Cb -0.14 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 3dpu s PHE 774 CO 0.02 0.23 0.23 0.42 0.70 0.00 0.00 175.22 176.81 3dpu s ILE 775 N -0.77 5.35 -0.62 0.64 1.09 0.89 0.12 121.20 127.90 3dpu s ILE 775 Ca 0.12 0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 60.07 3dpu s ILE 775 Cb -0.11 -3.55 0.16 0.00 -1.06 0.00 0.00 42.46 37.90 3dpu s ILE 775 CO 0.01 0.48 0.41 -0.63 -0.10 0.00 0.00 174.94 175.11 3dpu s ILE 776 N -0.07 3.40 0.39 2.92 1.01 0.20 -0.61 121.20 128.44 3dpu s ILE 776 Ca 0.15 -3.19 0.11 0.00 0.00 0.00 0.00 60.65 57.72 3dpu s ILE 776 Cb -0.13 -3.24 0.33 0.00 0.01 0.00 0.00 42.46 39.43 3dpu s ILE 776 CO 0.03 -0.88 1.93 -0.65 0.00 0.00 0.00 174.94 175.38 3dpu h PRO 777 N 6.73 0.56 0.00 2.79 0.11 -1.83 0.63 132.00 140.99 3dpu h PRO 777 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3dpu h PRO 777 Cb 0.92 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3dpu h PRO 777 CO 0.71 0.37 -0.05 0.66 -0.21 0.00 0.00 178.00 179.48 3dpu h SER 778 N 0.57 0.00 0.19 -2.05 4.64 -1.94 -2.76 113.55 112.21 3dpu h SER 778 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3dpu h SER 778 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3dpu h SER 778 CO -0.13 0.05 -1.04 0.59 -0.87 0.00 0.00 176.83 175.44 3dpu n ASN 779 N -3.30 0.71 -4.50 4.97 5.03 0.20 -4.99 115.26 113.38 3dpu n ASN 779 Ca -0.01 -0.57 -0.38 0.00 0.87 0.00 0.00 54.58 54.49 3dpu n ASN 779 Cb 0.22 0.94 0.04 0.00 -1.02 0.00 0.00 39.78 39.96 3dpu n ASN 779 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3dpu n LEU 780 N -1.70 1.47 -4.50 3.41 4.77 -1.04 -2.78 117.00 116.62 3dpu n LEU 780 Ca 0.03 0.74 -0.36 0.00 -0.03 0.00 0.00 56.01 56.39 3dpu n LEU 780 Cb 0.38 -1.22 0.08 0.00 -2.33 0.00 0.00 43.42 40.33 3dpu n LEU 780 CO 0.41 -2.79 0.17 -2.65 -1.33 0.00 0.00 177.39 171.20 3dpu n PRO 781 N -0.31 0.31 0.22 3.23 -0.02 -1.26 -4.05 135.00 133.12 3dpu n PRO 781 Ca 0.12 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3dpu n PRO 781 Cb 0.48 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 32.26 3dpu n PRO 781 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3dpu h THR 782 N -0.40 0.00 -3.98 3.45 1.35 -1.95 0.26 112.91 111.64 3dpu h THR 782 Ca -0.46 -0.93 -0.20 0.00 -0.55 0.00 0.00 66.41 64.27 3dpu h THR 782 Cb 1.34 1.93 -0.21 0.00 -1.73 0.00 0.00 68.15 69.48 3dpu h THR 782 CO 0.43 0.00 -0.71 -1.10 -0.25 0.00 0.00 175.52 173.89 3dpu s GLN 783 N -3.24 0.38 0.20 4.72 -0.21 -1.26 -4.52 119.66 115.73 3dpu s GLN 783 Ca 0.07 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.84 3dpu s GLN 783 Cb 0.06 -0.01 -0.05 0.00 1.00 0.00 0.00 33.01 34.00 3dpu s GLN 783 CO 0.66 -0.02 -0.11 0.96 -2.12 0.00 0.00 175.29 174.66 3dpu s ILE 784 N -1.47 1.49 -0.57 1.08 -4.36 -1.26 -5.01 121.20 111.11 3dpu s ILE 784 Ca -0.14 -2.14 0.25 0.00 -0.26 0.00 0.00 60.65 58.36 3dpu s ILE 784 Cb -0.10 -2.06 0.32 0.00 1.25 0.00 0.00 42.46 41.87 3dpu s ILE 784 CO -0.01 -0.58 1.69 0.44 0.24 0.00 0.00 174.94 176.72 3dpu h ASP 785 N 2.59 0.00 -0.38 4.36 3.32 -1.99 -3.33 116.42 120.99 3dpu h ASP 785 Ca -0.38 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.41 3dpu h ASP 785 Cb 1.21 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 3dpu h ASP 785 CO 0.63 0.00 -0.47 -0.46 -1.72 0.00 0.00 179.24 177.22 3dpu n ASN 786 N -2.71 3.25 -4.69 6.45 6.94 -1.26 -5.03 115.26 118.21 3dpu n ASN 786 Ca 0.05 -3.83 -0.42 0.00 -0.02 0.00 0.00 54.58 50.36 3dpu n ASN 786 Cb 0.48 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 3dpu n ASN 786 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3dpu s GLU 787 N -3.40 4.27 0.73 -3.83 2.12 -1.25 -4.90 118.70 112.45 3dpu s GLU 787 Ca 0.45 2.05 -0.02 0.00 0.36 0.00 0.00 54.97 57.81 3dpu s GLU 787 Cb 0.40 -3.52 0.13 0.00 0.26 0.00 0.00 34.13 31.39 3dpu s GLU 787 CO -0.02 -0.58 1.01 -1.25 -0.54 0.00 0.00 175.26 173.89 3dpu s PRO 788 N 2.22 1.64 0.00 4.30 0.04 -1.26 -5.14 135.00 136.79 3dpu s PRO 788 Ca 0.66 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.68 3dpu s PRO 788 Cb -0.34 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3dpu s PRO 788 CO 0.28 -1.50 0.00 0.39 0.04 0.00 0.00 177.00 176.21 3dpu n GLU 789 N -2.90 0.00 -0.77 4.56 1.02 -1.26 -5.16 120.64 116.14 3dpu n GLU 789 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3dpu n GLU 789 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 3dpu n GLU 789 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dpu n GLY 793 N 0.00 1.16 4.04 0.62 0.00 -1.26 -5.10 105.19 104.64 3dpu n GLY 793 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3dpu n GLY 793 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dpu n GLU 794 N -0.46 -0.79 -2.21 1.61 -0.00 -1.26 -4.86 120.64 112.66 3dpu n GLU 794 Ca 0.00 0.05 -0.41 0.00 -0.00 0.00 0.00 57.16 56.80 3dpu n GLU 794 Cb 0.16 -2.74 -0.03 0.00 -0.00 0.00 0.00 31.44 28.84 3dpu n GLU 794 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3dpu s PRO 795 N -6.81 4.43 0.20 3.44 0.04 -1.26 -4.94 135.00 130.10 3dpu s PRO 795 Ca 0.10 2.10 -0.32 0.00 0.04 0.00 0.00 61.00 62.93 3dpu s PRO 795 Cb -0.06 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 3dpu s PRO 795 CO 0.84 -0.09 1.67 -1.17 0.04 0.00 0.00 177.00 178.29 3dpu s LEU 796 N -1.64 4.37 -0.13 -3.56 0.20 0.39 -4.78 118.68 113.54 3dpu s LEU 796 Ca 0.48 2.79 0.01 0.00 0.69 0.00 0.00 54.13 58.10 3dpu s LEU 796 Cb -0.38 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 41.80 3dpu s LEU 796 CO 0.49 -0.92 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.37 3dpu s ARG 797 N 1.05 2.06 -0.09 1.98 0.52 -1.26 -0.40 118.95 122.81 3dpu s ARG 797 Ca 0.72 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 3dpu s ARG 797 Cb -0.48 -1.89 0.04 0.00 0.52 0.00 0.00 34.95 33.15 3dpu s ARG 797 CO 0.33 -0.19 0.20 0.12 0.02 0.00 0.00 175.30 175.78 3dpu s PHE 798 N 1.38 -0.25 0.01 -0.53 5.36 -0.18 -4.29 117.98 119.47 3dpu s PHE 798 Ca 0.01 0.65 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 3dpu s PHE 798 Cb -0.13 -0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 3dpu s PHE 798 CO -0.07 -0.20 -0.12 -1.50 -1.46 0.00 0.00 175.22 171.87 3dpu s ILE 799 N 1.19 0.95 -0.19 3.12 2.07 -0.93 0.33 121.20 127.74 3dpu s ILE 799 Ca -0.09 -0.68 -0.03 0.00 -1.41 0.00 0.00 60.65 58.45 3dpu s ILE 799 Cb -0.11 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 3dpu s ILE 799 CO -0.07 0.14 -0.07 -0.04 -1.91 0.00 0.00 174.94 172.99 3dpu s MET 800 N -0.61 3.42 -0.18 3.50 -1.94 0.16 -1.10 119.30 122.55 3dpu s MET 800 Ca 0.03 -0.63 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 3dpu s MET 800 Cb -0.06 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 3dpu s MET 800 CO 0.00 -0.03 0.05 0.21 -0.01 0.00 0.00 175.02 175.25 3dpu s LYS 801 N 1.02 3.91 0.10 2.03 2.47 -0.29 0.11 119.74 129.09 3dpu s LYS 801 Ca 0.00 -0.36 0.05 0.00 -1.56 0.00 0.00 55.97 54.11 3dpu s LYS 801 Cb -0.15 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 3dpu s LYS 801 CO -0.00 0.30 0.01 0.71 0.16 0.00 0.00 175.35 176.52 3dpu s TYR 802 N 0.29 2.98 0.12 4.03 2.02 -0.05 -1.23 117.35 125.52 3dpu s TYR 802 Ca 0.03 -0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.57 3dpu s TYR 802 Cb -0.12 -1.52 -0.06 0.00 -0.40 0.00 0.00 41.96 39.85 3dpu s TYR 802 CO 0.00 0.49 1.44 0.38 -1.57 0.00 0.00 175.55 176.29 3dpu h ASP 803 N 3.31 0.92 -4.27 2.29 -0.00 -1.69 -3.45 116.42 113.53 3dpu h ASP 803 Ca -0.48 -0.48 -0.20 0.00 -0.00 0.00 0.00 57.03 55.88 3dpu h ASP 803 Cb 1.17 -0.26 -0.25 0.00 -0.00 0.00 0.00 39.33 39.99 3dpu h ASP 803 CO 0.60 1.21 -0.68 -0.47 -0.00 0.00 0.00 179.24 179.90 3dpu s TYR 804 N -4.34 0.08 -0.36 4.15 5.04 -1.26 -5.04 117.35 115.61 3dpu s TYR 804 Ca -0.11 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.39 3dpu s TYR 804 Cb 0.10 -0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.45 3dpu s TYR 804 CO 0.87 -0.10 0.09 -1.17 -1.34 0.00 0.00 175.55 173.90 3dpu s LEU 805 N -0.61 4.05 0.37 6.97 2.96 -1.26 -4.87 118.68 126.29 3dpu s LEU 805 Ca -0.07 -2.16 -0.26 0.00 -0.22 0.00 0.00 54.13 51.42 3dpu s LEU 805 Cb -0.04 -1.43 -0.12 0.00 0.50 0.00 0.00 46.19 45.10 3dpu s LEU 805 CO -0.00 -0.37 1.15 -2.65 -1.32 0.00 0.00 176.35 173.16 3dpu n PRO 806 N 4.22 1.72 0.25 0.98 -0.02 -1.26 -4.83 135.00 136.06 3dpu n PRO 806 Ca 0.03 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3dpu n PRO 806 Cb 0.41 -2.17 0.67 0.00 -0.02 0.00 0.00 33.50 32.39 3dpu n PRO 806 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dpu h SER 807 N 2.05 0.00 0.09 2.55 4.64 -2.04 -2.84 113.55 118.01 3dpu h SER 807 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dpu h SER 807 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3dpu h SER 807 CO 0.60 0.13 -0.00 0.35 -0.87 0.00 0.00 176.83 177.04 3dpu n THR 808 N -3.92 0.00 0.10 2.95 -2.24 -1.26 -4.05 114.28 105.86 3dpu n THR 808 Ca -0.02 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3dpu n THR 808 Cb 0.22 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 3dpu n THR 808 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3dpu h ILE 809 N 0.05 0.90 0.02 2.28 1.08 -1.86 -1.82 117.51 118.16 3dpu h ILE 809 Ca 0.00 -0.67 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3dpu h ILE 809 Cb 0.06 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3dpu h ILE 809 CO 0.00 0.15 -0.01 0.40 -0.69 0.00 0.00 178.15 178.00 3dpu h ILE 810 N -0.60 1.08 -0.89 -0.67 5.03 -1.82 -0.20 117.51 119.44 3dpu h ILE 810 Ca -0.03 -0.30 0.17 0.00 -0.12 0.00 0.00 64.86 64.58 3dpu h ILE 810 Cb 0.44 1.28 -0.10 0.00 -3.03 0.00 0.00 36.82 35.41 3dpu h ILE 810 CO 0.04 0.08 0.47 -0.65 -0.68 0.00 0.00 178.15 177.41 3dpu h PRO 811 N -0.15 0.60 -0.26 2.37 0.11 -1.75 -0.82 132.00 132.11 3dpu h PRO 811 Ca -0.00 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.89 3dpu h PRO 811 Cb 0.14 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 3dpu h PRO 811 CO 0.00 0.40 -0.56 0.00 -0.21 0.00 0.00 178.00 177.63 3dpu h ARG 812 N 0.62 0.79 -0.79 1.05 3.08 -0.95 -2.48 114.38 115.69 3dpu h ARG 812 Ca 0.50 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dpu h ARG 812 Cb 0.77 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 3dpu h ARG 812 CO -0.39 1.14 0.48 1.25 -1.07 0.00 0.00 179.97 181.37 3dpu h LEU 813 N 0.60 0.94 -0.60 3.04 5.85 -0.54 -2.41 115.31 122.19 3dpu h LEU 813 Ca 0.01 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3dpu h LEU 813 Cb 1.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3dpu h LEU 813 CO 0.12 0.72 0.31 0.24 -0.34 0.00 0.00 178.44 179.49 3dpu h MET 814 N 1.09 0.86 -0.30 1.25 2.86 -0.89 -0.88 114.93 118.92 3dpu h MET 814 Ca 0.28 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3dpu h MET 814 Cb -0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3dpu h MET 814 CO -0.05 0.68 0.09 0.82 1.06 0.00 0.00 176.91 179.50 3dpu h ILE 815 N 0.82 1.14 0.00 -1.22 5.03 -1.17 0.76 117.51 122.86 3dpu h ILE 815 Ca 0.21 -0.47 -0.12 0.00 -0.12 0.00 0.00 64.86 64.36 3dpu h ILE 815 Cb 0.09 0.82 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 3dpu h ILE 815 CO -0.03 0.17 -0.58 0.00 -0.68 0.00 0.00 178.15 177.03 3dpu h ALA 816 N 1.67 0.63 -0.06 1.87 0.00 -0.91 -3.31 119.26 119.15 3dpu h ALA 816 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dpu h ALA 816 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dpu h ALA 816 CO -0.01 0.73 0.00 -1.33 0.00 0.00 0.00 179.25 178.64 3dpu n MET 817 N -3.26 0.65 -0.37 0.00 2.81 -0.39 -4.82 117.12 111.74 3dpu n MET 817 Ca 0.02 -1.13 0.29 0.00 -1.81 0.00 0.00 57.70 55.07 3dpu n MET 817 Cb 0.76 -1.14 0.58 0.00 -0.71 0.00 0.00 33.22 32.72 3dpu n MET 817 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3dpu h GLN 818 N 1.32 0.23 0.00 0.03 3.07 -0.95 -0.24 115.11 118.57 3dpu h GLN 818 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3dpu h GLN 818 Cb 0.37 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.88 3dpu h GLN 818 CO 0.00 0.15 0.00 0.45 0.09 0.00 0.00 178.83 179.52 3dpu h HIS 819 N 0.24 0.00 -0.15 0.06 3.86 -1.87 -2.54 115.15 114.74 3dpu h HIS 819 Ca 0.68 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.89 3dpu h HIS 819 Cb 1.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.46 3dpu h HIS 819 CO -0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 3dpu n GLN 820 N -2.68 1.53 -2.72 2.45 6.02 -0.10 -4.80 117.38 117.08 3dpu n GLN 820 Ca -0.00 -1.59 -0.42 0.00 -0.01 0.00 0.00 57.00 54.98 3dpu n GLN 820 Cb 0.18 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 3dpu n GLN 820 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dpu s ILE 821 N -1.09 4.05 -0.12 5.09 1.01 -0.96 -0.87 121.20 128.31 3dpu s ILE 821 Ca 0.20 -0.02 0.16 0.00 0.00 0.00 0.00 60.65 61.00 3dpu s ILE 821 Cb 0.12 -4.79 -0.23 0.00 0.01 0.00 0.00 42.46 37.57 3dpu s ILE 821 CO 0.18 -1.64 0.42 0.18 0.00 0.00 0.00 174.94 174.09 3dpu n LEU 822 N 8.45 0.43 -2.58 2.97 4.77 -1.26 -4.53 117.00 125.26 3dpu n LEU 822 Ca -0.01 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3dpu n LEU 822 Cb 0.47 0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.88 3dpu n LEU 822 CO 0.67 0.36 0.05 0.47 -1.33 0.00 0.00 177.39 177.61 3dpu n ASP 823 N -2.83 2.65 -1.55 -1.43 8.00 -1.26 -4.90 116.55 115.22 3dpu n ASP 823 Ca -0.21 -2.61 -0.20 0.00 0.71 0.00 0.00 54.79 52.47 3dpu n ASP 823 Cb 1.02 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 3dpu n ASP 823 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dpu n ARG 824 N -0.61 -1.46 -2.08 -1.24 5.12 -1.26 -4.88 116.66 110.25 3dpu n ARG 824 Ca 0.19 1.19 -0.41 0.00 -1.93 0.00 0.00 57.85 56.89 3dpu n ARG 824 Cb 0.85 -5.57 -0.01 0.00 -1.16 0.00 0.00 32.46 26.56 3dpu n ARG 824 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3dpu n MET 825 N -2.27 2.77 -3.67 5.56 2.81 -1.26 -4.79 117.12 116.27 3dpu n MET 825 Ca -0.20 -2.81 -0.09 0.00 -1.81 0.00 0.00 57.70 52.78 3dpu n MET 825 Cb 0.67 -3.39 -0.10 0.00 -0.71 0.00 0.00 33.22 29.69 3dpu n MET 825 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 3dpu s GLN 826 N 4.10 0.38 0.19 0.03 -2.07 -1.26 -0.60 119.66 120.43 3dpu s GLN 826 Ca 0.53 0.93 0.01 0.00 -1.82 0.00 0.00 55.36 55.01 3dpu s GLN 826 Cb 0.08 0.16 -0.00 0.00 -1.09 0.00 0.00 33.01 32.16 3dpu s GLN 826 CO 0.02 -0.20 0.03 -2.67 -1.32 0.00 0.00 175.29 171.15 3dpu n TRP 827 N 4.80 0.29 0.02 9.60 2.14 -0.39 -4.82 117.44 129.09 3dpu n TRP 827 Ca -0.16 -1.07 0.03 0.00 2.07 0.00 0.00 57.50 58.37 3dpu n TRP 827 Cb 0.53 -0.08 0.41 0.00 -0.81 0.00 0.00 31.31 31.36 3dpu n TRP 827 CO 0.00 0.00 0.00 -0.09 2.07 0.00 0.00 177.69 179.67 3dpu h ARG 828 N 0.00 0.48 -0.10 -2.67 2.43 -0.61 -3.05 114.38 110.87 3dpu h ARG 828 Ca -0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3dpu h ARG 828 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3dpu h ARG 828 CO 0.25 0.37 0.00 0.66 -1.51 0.00 0.00 179.97 179.75 3dpu n TYR 829 N -4.43 0.36 -3.94 2.20 4.01 -1.26 -4.82 117.16 109.28 3dpu n TYR 829 Ca 0.02 -0.95 0.02 0.00 -0.16 0.00 0.00 57.90 56.83 3dpu n TYR 829 Cb 0.11 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 3dpu n TYR 829 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3dpu s GLY 830 N -2.50 -0.13 0.01 2.72 0.00 -1.15 -0.22 107.32 106.05 3dpu s GLY 830 Ca 0.36 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.90 3dpu s GLY 830 CO 0.05 4.69 0.52 -3.16 0.00 0.00 0.00 173.10 175.20 3dpu s MET 831 N -2.08 0.98 -0.20 2.90 0.23 -0.54 -1.26 119.30 119.33 3dpu s MET 831 Ca 0.27 -0.11 -0.02 0.00 -1.03 0.00 0.00 55.69 54.80 3dpu s MET 831 Cb -0.00 0.45 -0.00 0.00 -1.53 0.00 0.00 34.83 33.75 3dpu s MET 831 CO -0.00 -0.33 -0.10 0.08 -2.03 0.00 0.00 175.02 172.64 3dpu s VAL 832 N -1.95 2.95 -0.14 5.16 1.01 0.24 -2.02 120.40 125.63 3dpu s VAL 832 Ca -0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3dpu s VAL 832 Cb -0.01 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3dpu s VAL 832 CO 0.02 0.47 0.06 -0.76 0.00 0.00 0.00 175.10 174.89 3dpu s LEU 833 N 1.26 3.86 -0.17 3.92 1.43 -0.02 -4.13 118.68 124.82 3dpu s LEU 833 Ca 0.03 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3dpu s LEU 833 Cb -0.14 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3dpu s LEU 833 CO -0.05 0.28 -0.11 -0.54 0.23 0.00 0.00 176.35 176.16 3dpu s LYS 834 N -0.25 2.05 -0.40 1.70 1.02 -0.05 -0.11 119.74 123.69 3dpu s LYS 834 Ca 0.08 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3dpu s LYS 834 Cb -0.12 -2.22 0.06 0.00 -0.52 0.00 0.00 37.83 35.03 3dpu s LYS 834 CO 0.01 -0.35 0.24 0.45 -0.92 0.00 0.00 175.35 174.78 3dpu s SER 835 N 1.47 5.67 0.52 2.83 0.15 -0.16 -4.71 113.70 119.47 3dpu s SER 835 Ca 0.02 -1.31 0.25 0.00 0.70 0.00 0.00 55.95 55.60 3dpu s SER 835 Cb -0.15 -2.00 1.37 0.00 -1.71 0.00 0.00 66.02 63.53 3dpu s SER 835 CO -0.09 -0.48 1.99 -0.61 1.20 0.00 0.00 173.24 175.24 3dpu h GLN 836 N 8.42 0.04 0.00 5.44 4.15 -1.92 -1.33 115.11 129.91 3dpu h GLN 836 Ca -0.24 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3dpu h GLN 836 Cb 1.09 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3dpu h GLN 836 CO 0.72 0.03 0.00 -0.25 -1.93 0.00 0.00 178.83 177.40 3dpu n ASP 837 N -4.38 0.52 -2.16 -0.69 8.00 -1.26 -3.80 116.55 112.78 3dpu n ASP 837 Ca 0.10 0.55 -0.24 0.00 0.71 0.00 0.00 54.79 55.91 3dpu n ASP 837 Cb 0.61 -0.69 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3dpu n ASP 837 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3dpu n HIS 838 N -1.99 2.89 -3.28 1.24 8.25 -0.89 -4.95 115.22 116.50 3dpu n HIS 838 Ca 0.06 -2.46 -0.23 0.00 -0.26 0.00 0.00 57.72 54.82 3dpu n HIS 838 Cb 0.39 -0.27 0.05 0.00 1.12 0.00 0.00 29.99 31.29 3dpu n HIS 838 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dpu n GLU 839 N -0.64 -6.18 -1.25 -0.41 1.02 -1.24 -1.93 120.64 110.00 3dpu n GLU 839 Ca 0.42 0.87 -0.04 0.00 -0.02 0.00 0.00 57.16 58.39 3dpu n GLU 839 Cb 0.88 -5.82 -0.01 0.00 -0.02 0.00 0.00 31.44 26.47 3dpu n GLU 839 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dpu n GLY 840 N -1.73 0.61 3.66 0.62 0.00 -0.55 -4.97 105.19 102.83 3dpu n GLY 840 Ca -0.06 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3dpu n GLY 840 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpu n ALA 841 N 0.74 0.74 -3.71 4.61 0.00 -0.81 -4.63 120.51 117.45 3dpu n ALA 841 Ca -0.04 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 3dpu n ALA 841 Cb 0.18 -2.20 -0.17 0.00 0.00 0.00 0.00 19.45 17.27 3dpu n ALA 841 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dpu s LEU 842 N -2.03 1.79 -0.00 0.00 0.20 0.19 -0.98 118.68 117.83 3dpu s LEU 842 Ca 0.70 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.12 3dpu s LEU 842 Cb -0.46 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 3dpu s LEU 842 CO 0.51 0.02 -0.24 0.00 -0.29 0.00 0.00 176.35 176.35 3dpu s ALA 843 N 1.03 2.27 -0.28 5.97 0.00 0.84 -0.14 121.76 131.44 3dpu s ALA 843 Ca -0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3dpu s ALA 843 Cb -0.15 -0.59 0.08 0.00 0.00 0.00 0.00 23.12 22.46 3dpu s ALA 843 CO -0.03 0.54 0.01 0.21 0.00 0.00 0.00 175.76 176.49 3dpu s LYS 844 N -0.85 1.38 -0.30 0.00 2.20 0.12 -0.84 119.74 121.45 3dpu s LYS 844 Ca 0.11 -1.27 -0.10 0.00 -0.36 0.00 0.00 55.97 54.35 3dpu s LYS 844 Cb -0.10 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3dpu s LYS 844 CO 0.00 -0.79 0.16 0.08 -0.36 0.00 0.00 175.35 174.44 3dpu s VAL 845 N 1.30 4.80 -0.00 4.02 1.01 -0.86 -1.55 120.40 129.13 3dpu s VAL 845 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3dpu s VAL 845 Cb -0.19 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3dpu s VAL 845 CO -0.11 0.15 -0.09 0.68 0.00 0.00 0.00 175.10 175.73 3dpu s VAL 846 N 1.66 0.70 -0.13 2.92 -7.23 -0.32 -1.47 120.40 116.53 3dpu s VAL 846 Ca 0.06 -0.45 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 3dpu s VAL 846 Cb -0.16 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3dpu s VAL 846 CO 0.07 0.15 0.04 0.00 -0.31 0.00 0.00 175.10 175.06 3dpu s ALA 847 N -0.31 3.40 -0.29 1.32 0.00 0.69 -0.77 121.76 125.81 3dpu s ALA 847 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3dpu s ALA 847 Cb -0.04 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.40 3dpu s ALA 847 CO -0.00 0.40 -0.03 -2.00 0.00 0.00 0.00 175.76 174.13 3dpu s GLU 848 N -0.32 2.29 0.39 0.00 -6.30 -0.40 -4.83 118.70 109.53 3dpu s GLU 848 Ca 0.08 -1.35 0.07 0.00 -2.50 0.00 0.00 54.97 51.27 3dpu s GLU 848 Cb -0.12 -3.08 0.82 0.00 0.00 0.00 0.00 34.13 31.75 3dpu s GLU 848 CO 0.02 -0.63 2.02 1.15 0.02 0.00 0.00 175.26 177.83 3dpu h THR 849 N 6.59 1.06 0.53 -1.70 2.02 -1.97 -2.12 112.91 117.34 3dpu h THR 849 Ca -0.19 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3dpu h THR 849 Cb 1.05 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3dpu h THR 849 CO 0.51 0.11 -0.33 0.50 0.37 0.00 0.00 175.52 176.68 3dpu h LYS 850 N 0.63 -0.79 -0.02 6.66 3.64 -1.97 -2.93 116.57 121.78 3dpu h LYS 850 Ca 0.22 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3dpu h LYS 850 Cb 0.10 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3dpu h LYS 850 CO -0.06 -0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 176.35 3dpu n ASP 851 N -5.47 0.47 -3.84 4.20 8.00 -1.14 -4.92 116.55 113.85 3dpu n ASP 851 Ca -0.12 -1.31 -0.37 0.00 0.71 0.00 0.00 54.79 53.71 3dpu n ASP 851 Cb 0.36 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 3dpu n ASP 851 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dpu n SER 852 N -0.57 -4.89 -4.06 -2.24 7.64 -0.84 -4.61 113.62 104.05 3dpu n SER 852 Ca 0.19 -1.11 -0.13 0.00 1.01 0.00 0.00 58.87 58.82 3dpu n SER 852 Cb 0.17 -2.62 -0.12 0.00 -1.01 0.00 0.00 64.21 60.63 3dpu n SER 852 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3dpu s THR 853 N -3.45 0.55 -0.11 0.44 -1.32 -0.93 -0.87 115.64 109.95 3dpu s THR 853 Ca 0.45 -1.03 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 3dpu s THR 853 Cb -0.20 -0.61 -0.00 0.00 -1.51 0.00 0.00 72.50 70.18 3dpu s THR 853 CO 0.91 -0.34 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.14 3dpu s ILE 854 N -1.29 2.32 -0.09 5.08 1.01 0.12 -1.28 121.20 127.07 3dpu s ILE 854 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3dpu s ILE 854 Cb -0.09 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3dpu s ILE 854 CO 0.00 0.55 -0.19 -0.89 0.00 0.00 0.00 174.94 174.41 3dpu s THR 855 N 0.37 2.55 -0.22 2.92 2.01 0.05 0.36 115.64 123.68 3dpu s THR 855 Ca -0.16 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 3dpu s THR 855 Cb -0.17 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.35 3dpu s THR 855 CO 0.08 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.82 3dpu s ILE 856 N 0.09 2.64 -0.23 1.82 1.01 0.15 -1.17 121.20 125.51 3dpu s ILE 856 Ca -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 3dpu s ILE 856 Cb -0.15 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 3dpu s ILE 856 CO 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 174.94 175.29 3dpu s ALA 857 N 1.32 2.81 -0.05 9.38 0.00 -0.59 -1.01 121.76 133.62 3dpu s ALA 857 Ca 0.02 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.81 3dpu s ALA 857 Cb -0.15 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 3dpu s ALA 857 CO -0.07 -0.51 -0.20 0.42 0.00 0.00 0.00 175.76 175.40 3dpu s ILE 858 N 1.46 2.56 -0.09 0.00 1.01 0.47 0.15 121.20 126.76 3dpu s ILE 858 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3dpu s ILE 858 Cb -0.15 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3dpu s ILE 858 CO -0.03 0.58 -0.22 -1.58 0.00 0.00 0.00 174.94 173.69 3dpu s GLN 859 N -0.52 2.89 0.00 2.79 0.74 0.80 -0.46 119.66 125.89 3dpu s GLN 859 Ca 0.07 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.63 3dpu s GLN 859 Cb -0.11 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.69 3dpu s GLN 859 CO 0.01 0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 3dpu n GLY 860 N 3.24 -2.44 3.71 2.59 0.00 -1.26 -0.64 105.19 110.39 3dpu n GLY 860 Ca -0.18 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3dpu n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpu s GLU 861 N -1.99 1.92 0.15 1.61 8.01 -1.26 -4.65 118.70 122.50 3dpu s GLU 861 Ca 0.00 1.72 -0.20 0.00 0.01 0.00 0.00 54.97 56.50 3dpu s GLU 861 Cb 0.00 -1.81 0.04 0.00 -4.31 0.00 0.00 34.13 28.05 3dpu s GLU 861 CO 0.00 -1.99 1.66 -1.35 0.01 0.00 0.00 175.26 173.59 3dpu h PRO 862 N -0.61 -0.09 -0.10 0.39 0.11 -1.99 0.31 132.00 130.02 3dpu h PRO 862 Ca -0.47 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3dpu h PRO 862 Cb 1.29 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 3dpu h PRO 862 CO 0.48 -0.06 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.10 3dpu h ARG 863 N -0.10 0.01 -0.26 1.05 2.43 -1.96 -2.55 114.38 113.00 3dpu h ARG 863 Ca 0.15 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3dpu h ARG 863 Cb 0.32 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 3dpu h ARG 863 CO -0.35 0.01 -0.02 0.00 -1.51 0.00 0.00 179.97 178.10 3dpu h LYS 865 N 0.05 -0.05 0.00 0.00 1.57 -0.30 -1.02 116.57 116.82 3dpu h LYS 865 Ca 0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3dpu h LYS 865 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3dpu h LYS 865 CO -0.23 -0.04 -0.28 0.07 -0.57 0.00 0.00 179.45 178.40 3dpu h ARG 866 N -0.06 0.00 0.41 3.15 0.11 -1.32 -1.58 114.38 115.09 3dpu h ARG 866 Ca 0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3dpu h ARG 866 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 3dpu h ARG 866 CO -0.08 0.28 -0.31 1.49 0.10 0.00 0.00 179.97 181.45 3dpu h GLU 867 N 0.00 -0.69 0.00 0.08 4.57 -1.02 -2.75 114.58 114.77 3dpu h GLU 867 Ca -0.00 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3dpu h GLU 867 Cb 0.91 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3dpu h GLU 867 CO 0.04 -0.46 -0.05 -0.92 -1.18 0.00 0.00 179.01 176.44 3dpu h TYR 868 N -0.72 0.00 -0.11 0.92 3.20 -0.56 -2.66 116.97 117.04 3dpu h TYR 868 Ca -0.04 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 3dpu h TYR 868 Cb 0.61 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.90 3dpu h TYR 868 CO -0.14 0.05 -0.80 1.25 -1.64 0.00 0.00 178.16 176.88 3dpu h LEU 869 N 0.00 0.90 -0.79 2.82 7.12 -1.23 -2.50 115.31 121.62 3dpu h LEU 869 Ca -0.00 -0.66 0.04 0.00 0.13 0.00 0.00 57.88 57.40 3dpu h LEU 869 Cb 0.32 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.13 3dpu h LEU 869 CO 0.01 1.42 0.49 0.77 -0.13 0.00 0.00 178.44 181.00 3dpu h SER 870 N 0.45 0.80 0.10 1.25 4.64 -1.17 0.90 113.55 120.52 3dpu h SER 870 Ca -0.07 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3dpu h SER 870 Cb 1.44 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3dpu h SER 870 CO 0.16 0.53 -0.05 0.40 -0.87 0.00 0.00 176.83 177.01 3dpu h ILE 871 N 0.94 0.92 0.24 0.95 2.04 -1.54 -0.62 117.51 120.43 3dpu h ILE 871 Ca 0.33 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 3dpu h ILE 871 Cb 0.09 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3dpu h ILE 871 CO -0.14 0.02 -0.11 0.40 0.00 0.00 0.00 178.15 178.31 3dpu h ILE 872 N -0.17 0.82 -0.82 -0.67 2.04 -0.96 -2.38 117.51 115.37 3dpu h ILE 872 Ca -0.01 -0.62 0.18 0.00 1.00 0.00 0.00 64.86 65.40 3dpu h ILE 872 Cb 0.13 1.17 -0.15 0.00 -0.74 0.00 0.00 36.82 37.22 3dpu h ILE 872 CO 0.02 0.13 -0.14 -0.25 0.00 0.00 0.00 178.15 177.91 3dpu h TRP 873 N -0.65 -0.32 -0.20 1.37 2.91 -0.93 -1.94 115.95 116.20 3dpu h TRP 873 Ca -0.03 0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 3dpu h TRP 873 Cb 0.46 0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.37 3dpu h TRP 873 CO 0.03 -0.34 0.11 -0.92 -1.03 0.00 0.00 178.44 176.29 3dpu h TYR 874 N 0.02 0.26 -0.83 2.65 3.20 -0.80 -1.24 116.97 120.23 3dpu h TYR 874 Ca 0.42 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.38 3dpu h TYR 874 Cb 0.69 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.80 3dpu h TYR 874 CO -0.59 0.23 0.47 0.93 -1.64 0.00 0.00 178.16 177.56 3dpu h GLU 875 N 0.22 0.76 -0.24 1.82 4.39 -0.88 -1.35 114.58 119.31 3dpu h GLU 875 Ca 0.07 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3dpu h GLU 875 Cb 0.05 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3dpu h GLU 875 CO -0.01 0.50 -0.41 0.82 -1.16 0.00 0.00 179.01 178.75 3dpu h ILE 876 N 0.79 1.30 -0.50 3.13 2.04 -0.86 -0.56 117.51 122.85 3dpu h ILE 876 Ca 0.40 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 3dpu h ILE 876 Cb 0.37 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3dpu h ILE 876 CO -0.25 0.50 0.11 0.11 0.00 0.00 0.00 178.15 178.62 3dpu h LYS 877 N 0.47 0.81 -0.05 2.37 1.57 -0.66 0.45 116.57 121.53 3dpu h LYS 877 Ca 0.04 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3dpu h LYS 877 Cb 0.92 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3dpu h LYS 877 CO 0.08 0.79 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.27 3dpu h LYS 878 N 0.69 0.08 0.33 3.15 3.64 -0.97 -1.60 116.57 121.89 3dpu h LYS 878 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3dpu h LYS 878 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3dpu h LYS 878 CO 0.00 0.33 -0.16 0.82 -2.27 0.00 0.00 179.45 178.18 3dpu h ILE 879 N 0.07 0.66 -1.33 2.00 1.08 -0.63 -3.26 117.51 116.10 3dpu h ILE 879 Ca 0.01 -0.53 0.39 0.00 -0.39 0.00 0.00 64.86 64.33 3dpu h ILE 879 Cb 0.50 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 3dpu h ILE 879 CO 0.04 0.10 0.96 0.78 -0.69 0.00 0.00 178.15 179.33 3dpu h ASN 880 N -0.76 0.01 1.28 1.72 2.35 0.76 -0.63 115.58 120.32 3dpu h ASN 880 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3dpu h ASN 880 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3dpu h ASN 880 CO 0.08 -0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 3dpu h ALA 881 N 1.34 1.00 0.00 -0.83 0.00 -1.36 -2.72 119.26 116.69 3dpu h ALA 881 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3dpu h ALA 881 Cb 2.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.32 3dpu h ALA 881 CO -0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.32 3dpu n ASN 882 N -2.92 0.00 -4.23 0.00 4.13 -0.24 -4.73 115.26 107.26 3dpu n ASN 882 Ca 0.02 -0.47 -0.32 0.00 1.68 0.00 0.00 54.58 55.49 3dpu n ASN 882 Cb 0.37 -0.07 -0.17 0.00 -1.54 0.00 0.00 39.78 38.36 3dpu n ASN 882 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3dpu s PHE 883 N -2.14 2.56 0.48 3.10 0.08 -1.03 -5.04 117.98 115.99 3dpu s PHE 883 Ca 0.27 -1.01 0.15 0.00 0.12 0.00 0.00 56.93 56.47 3dpu s PHE 883 Cb 0.14 -1.71 1.13 0.00 -0.57 0.00 0.00 43.02 42.01 3dpu s PHE 883 CO 0.25 -0.39 2.07 1.79 -0.10 0.00 0.00 175.22 178.83 3dpu h THR 884 N 5.64 1.07 0.00 0.64 1.35 -1.86 -3.33 112.91 116.42 3dpu h THR 884 Ca -0.20 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3dpu h THR 884 Cb 1.23 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3dpu h THR 884 CO 0.47 0.09 -0.25 -3.20 -0.25 0.00 0.00 175.52 172.39 3dpu n ASN 885 N -4.42 0.77 -4.67 5.36 2.85 -1.26 -5.09 115.26 108.79 3dpu n ASN 885 Ca -0.03 -2.12 -0.42 0.00 -0.11 0.00 0.00 54.58 51.90 3dpu n ASN 885 Cb 0.17 -0.21 -0.03 0.00 1.24 0.00 0.00 39.78 40.95 3dpu n ASN 885 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3dpu s LEU 886 N -0.82 4.35 -0.33 1.20 1.43 -1.25 -4.98 118.68 118.27 3dpu s LEU 886 Ca 0.08 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 3dpu s LEU 886 Cb 0.07 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 3dpu s LEU 886 CO 0.01 -0.92 0.35 -0.62 0.23 0.00 0.00 176.35 175.40 3dpu s ASP 887 N 3.02 6.17 -0.18 2.29 3.68 -1.26 -5.02 116.67 125.36 3dpu s ASP 887 Ca 0.75 -0.19 0.01 0.00 2.13 0.00 0.00 52.55 55.25 3dpu s ASP 887 Cb -0.37 -2.19 0.03 0.00 -1.45 0.00 0.00 42.92 38.94 3dpu s ASP 887 CO 0.32 -0.30 -0.13 -0.69 0.13 0.00 0.00 175.17 174.49 3dpu s VAL 888 N 1.99 1.70 -0.01 1.11 1.01 -1.26 -1.96 120.40 122.97 3dpu s VAL 888 Ca 0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3dpu s VAL 888 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3dpu s VAL 888 CO 0.11 0.33 0.20 -0.54 0.00 0.00 0.00 175.10 175.21 3dpu s LYS 889 N 1.40 3.48 -0.18 2.72 1.02 -0.37 -4.92 119.74 122.89 3dpu s LYS 889 Ca 0.02 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.72 3dpu s LYS 889 Cb -0.15 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3dpu s LYS 889 CO -0.10 0.68 0.01 -1.21 -0.92 0.00 0.00 175.35 173.81 3dpu s GLU 890 N -1.80 3.77 0.21 1.68 2.02 -1.26 -1.14 118.70 122.18 3dpu s GLU 890 Ca 0.26 -0.46 0.08 0.00 0.02 0.00 0.00 54.97 54.88 3dpu s GLU 890 Cb -0.13 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 3dpu s GLU 890 CO 0.16 0.19 -0.15 -0.06 0.02 0.00 0.00 175.26 175.42 3dpu s PHE 891 N 0.54 1.79 -0.04 1.61 0.40 -0.26 -0.39 117.98 121.63 3dpu s PHE 891 Ca -0.00 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3dpu s PHE 891 Cb -0.14 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.59 3dpu s PHE 891 CO 0.02 0.41 -0.05 0.42 0.70 0.00 0.00 175.22 176.71 3dpu s ILE 892 N -2.86 0.58 0.28 0.64 1.01 0.67 -2.19 121.20 119.34 3dpu s ILE 892 Ca 0.23 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3dpu s ILE 892 Cb -0.02 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.78 3dpu s ILE 892 CO 0.08 0.23 0.79 -2.16 0.00 0.00 0.00 174.94 173.88 3dpu s PRO 893 N 0.78 4.26 0.10 2.79 0.05 -1.26 -1.11 135.00 140.62 3dpu s PRO 893 Ca -0.11 0.94 -0.34 0.00 0.05 0.00 0.00 61.00 61.54 3dpu s PRO 893 Cb -0.14 -2.71 -0.13 0.00 0.05 0.00 0.00 34.50 31.57 3dpu s PRO 893 CO 0.01 0.29 1.64 1.28 0.05 0.00 0.00 177.00 180.27 3dpu n LEU 894 N 0.35 3.16 -4.71 -3.56 4.32 -0.71 -4.91 117.00 110.95 3dpu n LEU 894 Ca 0.01 1.06 -0.57 0.00 -0.02 0.00 0.00 56.01 56.48 3dpu n LEU 894 Cb 0.52 -1.41 -0.07 0.00 -1.62 0.00 0.00 43.42 40.83 3dpu n LEU 894 CO 0.42 -0.25 1.35 -0.81 -1.22 0.00 0.00 177.39 176.89 3dpu n PRO 895 N 4.15 1.22 0.00 3.23 -0.04 -1.26 -0.31 135.00 141.98 3dpu n PRO 895 Ca 0.18 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3dpu n PRO 895 Cb 0.29 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3dpu n PRO 895 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dpu n GLY 896 N 4.28 3.21 2.68 0.55 0.00 -1.26 -4.97 105.19 109.69 3dpu n GLY 896 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 3dpu n GLY 896 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dpu s HIS 897 N -2.15 2.29 0.53 1.61 3.76 0.57 -4.97 115.29 116.93 3dpu s HIS 897 Ca 0.00 -2.73 0.19 0.00 -0.15 0.00 0.00 55.06 52.37 3dpu s HIS 897 Cb 0.00 -1.89 1.38 0.00 1.11 0.00 0.00 32.58 33.17 3dpu s HIS 897 CO 0.00 -0.71 2.16 -1.00 -0.85 0.00 0.00 174.74 174.34 3dpu h PRO 898 N 5.93 0.00 0.00 8.40 0.13 -1.94 -2.41 132.00 142.12 3dpu h PRO 898 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3dpu h PRO 898 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3dpu h PRO 898 CO 0.53 0.01 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.82 3dpu h ASP 899 N 0.00 0.00 -3.26 1.44 3.45 -1.93 -3.41 116.42 112.71 3dpu h ASP 899 Ca -0.00 0.00 -0.73 0.00 0.43 0.00 0.00 57.03 56.73 3dpu h ASP 899 Cb 0.02 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 38.52 3dpu h ASP 899 CO 0.00 0.05 -0.35 -0.70 -1.57 0.00 0.00 179.24 176.67 3dpu s GLU 900 N -3.69 2.65 -0.01 3.56 2.56 -0.91 -5.06 118.70 117.80 3dpu s GLU 900 Ca 0.01 -1.70 -0.17 0.00 0.00 0.00 0.00 54.97 53.11 3dpu s GLU 900 Cb 0.09 -4.02 -0.06 0.00 2.00 0.00 0.00 34.13 32.15 3dpu s GLU 900 CO 0.56 -1.20 0.48 -0.51 -0.56 0.00 0.00 175.26 174.03 3dpu s LEU 901 N 1.44 4.44 -0.04 2.70 1.43 -1.26 -1.73 118.68 125.66 3dpu s LEU 901 Ca 0.05 1.02 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3dpu s LEU 901 Cb -0.27 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3dpu s LEU 901 CO 0.01 0.23 -0.19 0.54 0.23 0.00 0.00 176.35 177.17 3dpu s VAL 902 N -0.65 2.66 0.27 -1.59 0.11 -0.26 -4.95 120.40 115.99 3dpu s VAL 902 Ca 0.26 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 58.14 3dpu s VAL 902 Cb -0.17 -2.00 -0.09 0.00 -1.53 0.00 0.00 36.38 32.58 3dpu s VAL 902 CO 0.14 0.58 1.16 -0.70 -3.33 0.00 0.00 175.10 172.95 3dpu s GLU 903 N -0.64 4.56 0.16 1.54 2.12 -1.26 -0.24 118.70 124.94 3dpu s GLU 903 Ca 0.10 1.89 -0.16 0.00 0.36 0.00 0.00 54.97 57.16 3dpu s GLU 903 Cb -0.11 -3.18 0.09 0.00 0.26 0.00 0.00 34.13 31.19 3dpu s GLU 903 CO 0.00 0.08 1.74 -0.92 -0.54 0.00 0.00 175.26 175.62 3dpu h TYR 904 N 4.06 0.17 0.00 5.30 5.03 -1.03 -1.84 116.97 128.66 3dpu h TYR 904 Ca -0.47 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 60.86 3dpu h TYR 904 Cb 1.21 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.47 3dpu h TYR 904 CO 0.59 0.05 -0.01 0.87 -1.32 0.00 0.00 178.16 178.34 3dpu h LYS 905 N 0.24 0.00 0.01 1.82 1.57 -1.93 -1.10 116.57 117.17 3dpu h LYS 905 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dpu h LYS 905 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dpu h LYS 905 CO -0.22 0.01 -0.00 1.49 -0.57 0.00 0.00 179.45 180.16 3dpu h GLU 906 N 0.00 -0.01 -0.49 3.15 4.57 -1.73 -0.57 114.58 119.50 3dpu h GLU 906 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dpu h GLU 906 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3dpu h GLU 906 CO 0.00 0.60 0.31 -0.07 -1.18 0.00 0.00 179.01 178.67 3dpu h LEU 907 N -0.62 0.57 -0.39 1.64 3.38 -1.07 -1.34 115.31 117.48 3dpu h LEU 907 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3dpu h LEU 907 Cb 0.61 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3dpu h LEU 907 CO 0.00 0.42 0.08 -0.07 0.09 0.00 0.00 178.44 178.97 3dpu h LEU 908 N 0.67 0.60 -0.86 1.67 3.38 -1.19 -2.62 115.31 116.96 3dpu h LEU 908 Ca 0.18 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3dpu h LEU 908 Cb -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3dpu h LEU 908 CO -0.04 0.69 0.53 1.23 0.09 0.00 0.00 178.44 180.94 3dpu h GLY 909 N 0.48 1.30 1.32 0.83 0.00 -0.53 -2.63 103.07 103.84 3dpu h GLY 909 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3dpu h GLY 909 CO 0.00 0.25 0.31 1.41 0.00 0.00 0.00 176.54 178.52 3dpu h LEU 910 N 0.96 0.80 -0.16 3.11 4.07 -1.08 -2.22 115.31 120.78 3dpu h LEU 910 Ca 0.38 -0.08 -0.15 0.00 0.08 0.00 0.00 57.88 58.11 3dpu h LEU 910 Cb 0.19 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.73 3dpu h LEU 910 CO -0.18 0.67 -0.49 -0.08 -1.08 0.00 0.00 178.44 177.28 3dpu h GLU 911 N 0.89 0.61 -0.50 1.13 4.81 -1.12 -2.15 114.58 118.25 3dpu h GLU 911 Ca 0.22 -0.45 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3dpu h GLU 911 Cb 0.08 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3dpu h GLU 911 CO -0.03 1.07 0.30 0.87 -0.73 0.00 0.00 179.01 180.49 3dpu h LYS 912 N 0.27 0.59 0.00 1.92 1.57 -1.39 -1.35 116.57 118.18 3dpu h LYS 912 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dpu h LYS 912 Cb 1.11 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3dpu h LYS 912 CO 0.10 0.39 0.00 0.52 -0.57 0.00 0.00 179.45 179.89 3dpu h MET 913 N 0.61 0.00 0.00 3.15 2.86 -1.36 -3.46 114.93 116.72 3dpu h MET 913 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3dpu h MET 913 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3dpu h MET 913 CO -0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.30 3dpu n GLY 914 N -0.72 0.60 3.93 8.32 0.00 -0.51 -5.07 105.19 111.74 3dpu n GLY 914 Ca -0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3dpu n GLY 914 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dpu s ARG 915 N -0.90 3.42 0.00 1.61 3.52 -1.02 -5.00 118.95 120.59 3dpu s ARG 915 Ca 0.00 -0.53 0.15 0.00 -0.13 0.00 0.00 55.73 55.22 3dpu s ARG 915 Cb 0.00 -2.99 0.21 0.00 -1.56 0.00 0.00 34.95 30.61 3dpu s ARG 915 CO 0.00 0.56 1.09 -0.40 -0.81 0.00 0.00 175.30 175.75 3dpu n ASP 916 N -0.12 2.56 -4.43 -2.12 3.85 -1.26 -4.33 116.55 110.71 3dpu n ASP 916 Ca -0.06 -1.74 -0.33 0.00 -0.71 0.00 0.00 54.79 51.94 3dpu n ASP 916 Cb 0.52 -0.10 -0.13 0.00 -1.35 0.00 0.00 41.12 40.07 3dpu n ASP 916 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3dpu s ARG 917 N -1.18 3.42 -0.22 0.11 0.52 -1.26 -0.98 118.95 119.37 3dpu s ARG 917 Ca 0.22 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.68 3dpu s ARG 917 Cb 0.14 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 3dpu s ARG 917 CO 0.20 0.27 0.26 -0.47 0.02 0.00 0.00 175.30 175.57 3dpu s TYR 918 N 0.24 3.35 -0.26 -0.53 5.04 0.30 -4.81 117.35 120.68 3dpu s TYR 918 Ca -0.06 0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.89 3dpu s TYR 918 Cb -0.15 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 3dpu s TYR 918 CO 0.04 0.06 0.08 0.54 -1.34 0.00 0.00 175.55 174.93 3dpu s VAL 919 N 1.09 4.31 -0.27 3.14 0.11 -1.26 -0.05 120.40 127.47 3dpu s VAL 919 Ca 0.12 -0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 3dpu s VAL 919 Cb -0.14 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 3dpu s VAL 919 CO 0.05 0.31 0.15 -0.55 -3.33 0.00 0.00 175.10 171.73 3dpu s SER 920 N 1.61 5.74 -0.06 3.54 0.15 -0.19 -4.98 113.70 119.50 3dpu s SER 920 Ca 0.06 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.46 3dpu s SER 920 Cb -0.15 -2.06 -0.30 0.00 -1.71 0.00 0.00 66.02 61.80 3dpu s SER 920 CO 0.04 -0.04 0.75 1.23 1.20 0.00 0.00 173.24 176.42 3dpu h GLY 921 N 8.30 0.35 -0.07 9.45 0.00 -1.98 -2.82 103.07 116.30 3dpu h GLY 921 Ca -0.36 -0.90 0.16 0.00 0.00 0.00 0.00 47.33 46.23 3dpu h GLY 921 CO 0.56 0.79 0.19 0.50 0.00 0.00 0.00 176.54 178.58 3dpu h LYS 922 N -0.26 0.27 -4.98 4.80 1.57 -1.96 -3.31 116.57 112.70 3dpu h LYS 922 Ca -0.23 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 3dpu h LYS 922 Cb 1.77 -0.06 -0.36 0.00 0.08 0.00 0.00 32.23 33.67 3dpu h LYS 922 CO 0.13 0.18 -0.84 -0.48 -0.57 0.00 0.00 179.45 177.86 3dpu s LEU 923 N -10.57 2.45 -0.43 2.94 0.05 -1.26 -5.03 118.68 106.82 3dpu s LEU 923 Ca -0.13 -0.84 -0.27 0.00 0.05 0.00 0.00 54.13 52.95 3dpu s LEU 923 Cb 0.21 -1.48 -0.27 0.00 -2.05 0.00 0.00 46.19 42.61 3dpu s LEU 923 CO 0.76 -0.06 1.77 -1.84 -0.55 0.00 0.00 176.35 176.43 3dpu n GLU 924 N 4.58 0.71 -3.90 1.48 -0.00 -1.25 -4.55 120.64 117.72 3dpu n GLU 924 Ca -0.19 -1.46 -0.11 0.00 -0.00 0.00 0.00 57.16 55.41 3dpu n GLU 924 Cb 0.48 -2.80 -0.11 0.00 -0.00 0.00 0.00 31.44 29.00 3dpu n GLU 924 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3dpu s LYS 925 N 6.20 0.28 0.13 3.44 1.02 -1.07 -5.05 119.74 124.69 3dpu s LYS 925 Ca 0.65 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.39 3dpu s LYS 925 Cb 0.13 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 3dpu s LYS 925 CO 0.23 -0.05 -0.04 0.14 -0.92 0.00 0.00 175.35 174.71 3dpu s VAL 926 N -0.93 3.65 0.09 3.17 -7.23 -1.26 -1.03 120.40 116.87 3dpu s VAL 926 Ca -0.10 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3dpu s VAL 926 Cb -0.06 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 3dpu s VAL 926 CO 0.00 0.04 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.38 3dpu s PHE 927 N -1.42 0.96 -0.24 2.82 0.40 0.93 -4.94 117.98 116.50 3dpu s PHE 927 Ca 0.25 -0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 55.55 3dpu s PHE 927 Cb -0.11 -0.53 0.01 0.00 0.51 0.00 0.00 43.02 42.90 3dpu s PHE 927 CO 0.17 -0.06 1.08 0.45 0.70 0.00 0.00 175.22 177.56 3dpu s SER 928 N -2.60 7.04 0.22 1.36 0.15 -1.26 0.11 113.70 118.72 3dpu s SER 928 Ca 0.06 1.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.07 3dpu s SER 928 Cb -0.00 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.96 3dpu s SER 928 CO -0.02 -0.72 1.57 1.62 1.20 0.00 0.00 173.24 176.89 3dpu h VAL 929 N 5.51 1.31 -0.30 4.45 3.04 -1.37 -2.66 116.25 126.23 3dpu h VAL 929 Ca -0.20 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 63.84 3dpu h VAL 929 Cb 1.07 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.95 3dpu h VAL 929 CO 0.99 0.51 0.10 -1.28 -1.01 0.00 0.00 177.57 176.88 3dpu h SER 930 N 0.45 0.43 -0.45 3.17 0.87 -1.91 -0.64 113.55 115.47 3dpu h SER 930 Ca 0.03 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3dpu h SER 930 Cb 0.95 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3dpu h SER 930 CO 0.08 0.51 0.29 0.11 -0.53 0.00 0.00 176.83 177.30 3dpu h LYS 931 N 0.33 0.58 -0.30 2.24 6.56 -1.92 0.24 116.57 124.29 3dpu h LYS 931 Ca 0.10 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 3dpu h LYS 931 Cb 0.23 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 3dpu h LYS 931 CO -0.00 0.38 0.18 0.52 -2.06 0.00 0.00 179.45 178.47 3dpu h MET 932 N 0.60 0.41 -0.34 3.15 2.07 -1.10 -2.38 114.93 117.33 3dpu h MET 932 Ca 0.17 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.74 3dpu h MET 932 Cb -0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 3dpu h MET 932 CO -0.04 0.32 0.14 -0.07 1.07 0.00 0.00 176.91 178.33 3dpu h LEU 933 N 0.38 0.47 -1.55 1.22 3.38 -0.94 -2.58 115.31 115.69 3dpu h LEU 933 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dpu h LEU 933 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dpu h LEU 933 CO -0.02 0.51 0.12 0.44 0.09 0.00 0.00 178.44 179.58 3dpu h ASP 934 N 0.41 0.00 0.51 -0.43 3.45 -0.63 0.68 116.42 120.41 3dpu h ASP 934 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3dpu h ASP 934 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3dpu h ASP 934 CO -0.01 0.00 -0.06 -1.54 -1.57 0.00 0.00 179.24 176.06 3dpu n SER 935 N -2.38 0.18 0.00 6.45 3.41 -0.92 -4.11 113.62 116.25 3dpu n SER 935 Ca -0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3dpu n SER 935 Cb 0.15 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3dpu n SER 935 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3dpu n VAL 936 N -1.19 0.00 -3.49 -3.33 0.31 0.10 -4.75 118.33 105.98 3dpu n VAL 936 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3dpu n VAL 936 Cb 0.26 0.05 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 3dpu n VAL 936 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3dpu s ILE 937 N -0.32 -0.51 0.82 2.52 2.07 -0.41 -4.85 121.20 120.52 3dpu s ILE 937 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3dpu s ILE 937 Cb 0.00 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.65 3dpu s ILE 937 CO 0.00 0.00 1.00 -1.54 -1.91 0.00 0.00 174.94 172.49 3dpu n SER 938 N 4.86 0.27 -4.55 4.50 3.41 -1.26 -3.85 113.62 117.00 3dpu n SER 938 Ca -0.11 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.68 3dpu n SER 938 Cb 0.53 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 3dpu n SER 938 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3dpu n LYS 939 N -2.75 1.09 0.00 4.33 0.00 -1.26 -4.98 118.16 114.59 3dpu n LYS 939 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3dpu n LYS 939 Cb 0.51 -3.42 0.00 0.00 -0.00 0.00 0.00 35.03 32.12 3dpu n LYS 939 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55