#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpu n GLU 421 N 0.00 -3.86 -0.87 0.54 4.07 -1.26 -4.76 120.64 114.50 3dpu n GLU 421 Ca 0.00 -1.14 -0.14 0.00 -0.06 0.00 0.00 57.16 55.82 3dpu n GLU 421 Cb 0.00 -1.59 -0.12 0.00 -0.06 0.00 0.00 31.44 29.68 3dpu n GLU 421 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3dpu n ILE 422 N -5.23 2.68 1.18 6.31 5.41 -1.26 -2.41 119.36 126.04 3dpu n ILE 422 Ca 0.11 -1.41 0.13 0.00 1.00 0.00 0.00 62.75 62.58 3dpu n ILE 422 Cb 0.47 -2.01 0.35 0.00 -0.71 0.00 0.00 39.64 37.74 3dpu n ILE 422 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 3dpu n VAL 423 N 2.83 0.00 0.00 1.39 3.14 -1.26 -4.48 118.33 119.94 3dpu n VAL 423 Ca 0.41 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 3dpu n VAL 423 Cb 0.65 0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.77 3dpu n VAL 423 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3dpu n LYS 424 N -0.91 0.00 -3.44 1.45 4.01 -1.01 -4.33 118.16 113.93 3dpu n LYS 424 Ca 0.10 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.47 3dpu n LYS 424 Cb 0.34 -0.99 -0.07 0.00 -0.51 0.00 0.00 35.03 33.81 3dpu n LYS 424 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3dpu s GLN 425 N -1.32 2.75 0.00 1.97 1.11 -1.26 -4.80 119.66 118.10 3dpu s GLN 425 Ca 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 55.36 53.67 3dpu s GLN 425 Cb 0.00 -4.10 0.00 0.00 -1.01 0.00 0.00 33.01 27.90 3dpu s GLN 425 CO 0.00 -1.23 0.00 0.41 0.01 0.00 0.00 175.29 174.48 3dpu n GLY 426 N 5.08 2.41 0.12 3.09 0.00 -1.26 -4.76 105.19 109.87 3dpu n GLY 426 Ca -0.11 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 3dpu n GLY 426 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpu h LYS 427 N 0.00 0.19 0.00 1.61 1.79 -1.93 -1.25 116.57 116.98 3dpu h LYS 427 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dpu h LYS 427 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3dpu h LYS 427 CO 0.00 0.12 0.00 1.49 -1.08 0.00 0.00 179.45 179.98 3dpu h GLU 428 N 0.19 0.00 -0.06 3.15 4.22 -1.98 -2.59 114.58 117.51 3dpu h GLU 428 Ca 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.48 3dpu h GLU 428 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3dpu h GLU 428 CO -0.12 0.00 -0.23 0.00 -2.18 0.00 0.00 179.01 176.48 3dpu h ALA 429 N 2.06 0.10 -0.71 2.92 0.00 -1.57 -2.87 119.26 119.19 3dpu h ALA 429 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.60 3dpu h ALA 429 Cb 0.36 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3dpu h ALA 429 CO 0.00 0.10 0.34 0.28 0.00 0.00 0.00 179.25 179.96 3dpu h VAL 430 N -0.27 0.80 -0.06 0.00 2.07 -0.92 -2.57 116.25 115.30 3dpu h VAL 430 Ca -0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3dpu h VAL 430 Cb 0.88 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3dpu h VAL 430 CO 0.05 0.10 0.03 0.03 0.02 0.00 0.00 177.57 177.80 3dpu h ARG 431 N 0.56 0.06 -0.92 1.57 -0.00 -1.54 -2.84 114.38 111.28 3dpu h ARG 431 Ca 0.36 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.83 3dpu h ARG 431 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.34 3dpu h ARG 431 CO -0.30 0.04 0.55 1.96 0.00 0.00 0.00 179.97 182.23 3dpu h GLN 432 N 0.07 1.24 -0.01 0.04 1.08 -1.25 -0.88 115.11 115.40 3dpu h GLN 432 Ca 0.03 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3dpu h GLN 432 Cb 0.00 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.17 3dpu h GLN 432 CO -0.02 0.87 0.01 -0.92 -0.95 0.00 0.00 178.83 177.82 3dpu h TYR 433 N 1.26 0.02 -0.46 2.96 5.03 -1.39 -0.46 116.97 123.94 3dpu h TYR 433 Ca 0.33 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.66 3dpu h TYR 433 Cb -0.06 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 3dpu h TYR 433 CO 0.01 0.06 0.27 0.74 -1.32 0.00 0.00 178.16 177.91 3dpu h PHE 434 N -0.03 0.50 -0.65 -3.82 0.05 -1.26 -2.26 116.94 109.47 3dpu h PHE 434 Ca 0.01 0.02 0.09 0.00 3.82 0.00 0.00 57.97 61.90 3dpu h PHE 434 Cb 0.05 -0.16 -0.07 0.00 2.00 0.00 0.00 35.95 37.77 3dpu h PHE 434 CO -0.06 0.28 0.29 0.37 -0.18 0.00 0.00 178.31 179.01 3dpu h GLN 435 N 0.53 0.49 -0.39 1.51 4.15 -0.93 -0.84 115.11 119.63 3dpu h GLN 435 Ca 0.18 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 3dpu h GLN 435 Cb 0.03 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3dpu h GLN 435 CO -0.09 0.32 -0.17 0.66 -1.93 0.00 0.00 178.83 177.62 3dpu h SER 436 N 0.50 0.72 -0.06 -0.69 4.64 -0.70 -2.11 113.55 115.86 3dpu h SER 436 Ca 0.32 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3dpu h SER 436 Cb 0.35 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3dpu h SER 436 CO -0.28 0.90 0.00 2.30 -0.87 0.00 0.00 176.83 178.88 3dpu n ILE 437 N -4.14 0.07 -0.08 0.95 -5.35 -0.89 -3.04 119.36 106.87 3dpu n ILE 437 Ca 0.01 -0.25 -0.21 0.00 -0.27 0.00 0.00 62.75 62.02 3dpu n ILE 437 Cb 0.39 0.36 -0.12 0.00 -1.74 0.00 0.00 39.64 38.53 3dpu n ILE 437 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3dpu h GLU 438 N 2.06 0.04 -0.34 6.28 4.39 -0.52 -3.10 114.58 123.39 3dpu h GLU 438 Ca 0.00 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3dpu h GLU 438 Cb 0.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3dpu h GLU 438 CO 0.00 1.04 -0.04 1.49 -1.16 0.00 0.00 179.01 180.34 3dpu h GLU 439 N -0.85 0.55 -0.01 2.33 4.22 -1.52 0.23 114.58 119.52 3dpu h GLU 439 Ca -0.31 -0.13 -0.14 0.00 0.08 0.00 0.00 59.36 58.86 3dpu h GLU 439 Cb 1.37 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3dpu h GLU 439 CO -0.14 0.61 -0.64 0.00 -2.18 0.00 0.00 179.01 176.65 3dpu h ALA 440 N 1.44 0.92 -0.07 2.92 0.00 -1.72 0.36 119.26 123.12 3dpu h ALA 440 Ca 0.11 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3dpu h ALA 440 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dpu h ALA 440 CO 0.02 0.79 -0.74 0.07 0.00 0.00 0.00 179.25 179.39 3dpu h ARG 441 N 0.03 0.37 0.00 0.00 0.11 -1.31 0.13 114.38 113.71 3dpu h ARG 441 Ca -0.01 -0.31 -0.12 0.00 0.10 0.00 0.00 59.98 59.64 3dpu h ARG 441 Cb 1.14 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 3dpu h ARG 441 CO 0.09 0.96 -0.57 0.66 0.10 0.00 0.00 179.97 181.21 3dpu h SER 442 N 0.25 0.00 -0.31 0.08 4.64 -0.34 -3.02 113.55 114.85 3dpu h SER 442 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3dpu h SER 442 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3dpu h SER 442 CO 0.13 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 3dpu n LYS 443 N -3.31 1.79 -2.01 4.77 4.01 0.10 -4.93 118.16 118.58 3dpu n LYS 443 Ca 0.01 -1.21 -0.05 0.00 -0.51 0.00 0.00 58.31 56.54 3dpu n LYS 443 Cb 0.73 -1.30 -0.00 0.00 -0.51 0.00 0.00 35.03 33.95 3dpu n LYS 443 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dpu n GLY 444 N 1.07 0.21 3.79 0.72 0.00 -1.14 -5.04 105.19 104.80 3dpu n GLY 444 Ca 0.13 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3dpu n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpu s GLU 445 N -4.08 3.14 0.17 1.61 2.02 0.45 -5.03 118.70 116.97 3dpu s GLU 445 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 3dpu s GLU 445 Cb 0.00 -2.92 -0.08 0.00 0.10 0.00 0.00 34.13 31.24 3dpu s GLU 445 CO 0.00 0.68 0.91 0.00 0.02 0.00 0.00 175.26 176.87 3dpu s ALA 446 N -1.12 3.33 -0.39 5.21 0.00 -1.26 -4.35 121.76 123.18 3dpu s ALA 446 Ca 0.20 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3dpu s ALA 446 Cb -0.12 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3dpu s ALA 446 CO 0.10 0.14 1.41 -0.51 0.00 0.00 0.00 175.76 176.90 3dpu s LEU 447 N -0.72 3.62 0.72 0.00 1.43 -1.26 -4.66 118.68 117.81 3dpu s LEU 447 Ca 0.42 0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 54.34 3dpu s LEU 447 Cb -0.24 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.49 3dpu s LEU 447 CO 0.30 -1.40 1.05 0.68 0.23 0.00 0.00 176.35 177.21 3dpu s VAL 448 N 5.34 2.50 0.24 -1.59 -7.23 -0.73 -4.69 120.40 114.24 3dpu s VAL 448 Ca 0.61 -0.10 0.10 0.00 -1.81 0.00 0.00 61.98 60.78 3dpu s VAL 448 Cb -0.14 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 3dpu s VAL 448 CO 0.31 -0.12 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.93 3dpu s HIS 449 N -3.30 2.63 0.23 2.82 0.09 -1.26 -0.58 115.29 115.91 3dpu s HIS 449 Ca 0.60 -0.23 0.05 0.00 -0.00 0.00 0.00 55.06 55.47 3dpu s HIS 449 Cb -0.11 -1.19 0.21 0.00 -0.00 0.00 0.00 32.58 31.49 3dpu s HIS 449 CO 0.46 0.60 1.53 1.25 -0.00 0.00 0.00 174.74 178.59 3dpu h LEU 450 N 2.22 0.23 -0.75 0.89 7.12 -1.84 -3.48 115.31 119.70 3dpu h LEU 450 Ca -0.44 -0.14 -0.45 0.00 0.13 0.00 0.00 57.88 56.97 3dpu h LEU 450 Cb 1.24 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 3dpu h LEU 450 CO 0.59 0.82 -0.72 0.00 -0.13 0.00 0.00 178.44 179.00 3dpu n GLN 451 N -3.82 -5.87 -4.19 1.25 6.02 -1.26 -4.93 117.38 104.58 3dpu n GLN 451 Ca -0.02 0.65 -0.18 0.00 -0.01 0.00 0.00 57.00 57.44 3dpu n GLN 451 Cb 0.65 -5.57 -0.15 0.00 1.02 0.00 0.00 30.24 26.19 3dpu n GLN 451 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3dpu s GLU 452 N -6.49 0.62 0.01 -1.09 2.12 -1.26 -0.97 118.70 111.65 3dpu s GLU 452 Ca 0.62 -0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 3dpu s GLU 452 Cb -0.30 -0.63 -0.01 0.00 0.26 0.00 0.00 34.13 33.45 3dpu s GLU 452 CO 0.77 0.04 0.00 -1.50 -0.54 0.00 0.00 175.26 174.03 3dpu s ILE 453 N 0.30 0.06 -0.33 -3.70 -1.16 -0.73 -4.87 121.20 110.78 3dpu s ILE 453 Ca -0.04 -0.48 -0.11 0.00 -0.51 0.00 0.00 60.65 59.51 3dpu s ILE 453 Cb -0.08 -0.17 -0.00 0.00 0.61 0.00 0.00 42.46 42.82 3dpu s ILE 453 CO -0.00 -0.27 0.19 -0.54 -2.81 0.00 0.00 174.94 171.51 3dpu s LYS 454 N -0.79 3.31 -0.42 3.50 1.02 -0.56 -0.15 119.74 125.65 3dpu s LYS 454 Ca -0.09 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 3dpu s LYS 454 Cb -0.05 -3.67 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3dpu s LYS 454 CO -0.00 -0.47 0.34 0.08 -0.92 0.00 0.00 175.35 174.38 3dpu s VAL 455 N 1.64 5.22 -0.34 3.17 1.01 0.98 -0.35 120.40 131.73 3dpu s VAL 455 Ca 0.05 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 3dpu s VAL 455 Cb -0.17 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 3dpu s VAL 455 CO 0.08 -0.36 0.63 -1.00 0.00 0.00 0.00 175.10 174.45 3dpu s HIS 456 N 1.78 3.17 -0.22 5.22 0.09 0.51 -0.46 115.29 125.37 3dpu s HIS 456 Ca 0.06 0.41 -0.26 0.00 -0.00 0.00 0.00 55.06 55.27 3dpu s HIS 456 Cb -0.19 -3.10 -0.00 0.00 -0.00 0.00 0.00 32.58 29.29 3dpu s HIS 456 CO 0.10 -0.59 0.92 -0.51 -0.00 0.00 0.00 174.74 174.66 3dpu s LEU 457 N 2.68 4.10 -0.06 0.89 1.43 -0.53 -0.63 118.68 126.57 3dpu s LEU 457 Ca 0.25 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.60 3dpu s LEU 457 Cb -0.15 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 3dpu s LEU 457 CO 0.14 -0.56 -0.24 -0.63 0.23 0.00 0.00 176.35 175.29 3dpu s ILE 458 N 2.87 2.00 0.00 -0.59 -1.09 -0.82 -4.67 121.20 118.91 3dpu s ILE 458 Ca 0.39 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3dpu s ILE 458 Cb -0.15 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 3dpu s ILE 458 CO 0.08 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 3dpu n GLY 459 N 3.07 2.67 3.71 6.18 0.00 -1.26 -1.13 105.19 118.43 3dpu n GLY 459 Ca -0.18 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3dpu n GLY 459 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpu n ASP 460 N 0.00 2.89 0.00 1.61 8.00 -1.26 -4.87 116.55 122.92 3dpu n ASP 460 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.68 3dpu n ASP 460 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 3dpu n ASP 460 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpu n GLY 461 N 0.72 0.00 3.23 0.44 0.00 -1.26 -1.94 105.19 106.39 3dpu n GLY 461 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3dpu n GLY 461 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dpu s MET 462 N 0.00 2.85 -0.16 1.61 -2.45 -1.26 -4.65 119.30 115.24 3dpu s MET 462 Ca 0.00 -2.11 0.17 0.00 -1.25 0.00 0.00 55.69 52.50 3dpu s MET 462 Cb 0.00 -4.06 0.76 0.00 1.25 0.00 0.00 34.83 32.78 3dpu s MET 462 CO 0.00 -1.23 1.68 0.00 1.05 0.00 0.00 175.02 176.51 3dpu n ALA 463 N 4.40 3.40 -0.15 4.11 0.00 -0.82 -4.91 120.51 126.54 3dpu n ALA 463 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 3dpu n ALA 463 Cb 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3dpu n ALA 463 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpu n GLY 464 N 0.89 1.55 0.27 0.00 0.00 -1.26 -4.71 105.19 101.94 3dpu n GLY 464 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 3dpu n GLY 464 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpu h LYS 465 N 0.00 0.92 -0.07 1.61 1.57 -1.91 0.18 116.57 118.87 3dpu h LYS 465 Ca 0.00 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 3dpu h LYS 465 Cb 0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3dpu h LYS 465 CO 0.00 0.62 -0.77 0.00 -0.57 0.00 0.00 179.45 178.73 3dpu h THR 466 N 0.94 1.37 -0.23 -0.16 1.03 -1.95 -2.63 112.91 111.29 3dpu h THR 466 Ca 0.25 -2.18 -0.13 0.00 -0.01 0.00 0.00 66.41 64.35 3dpu h THR 466 Cb -0.08 2.15 -0.00 0.00 -1.07 0.00 0.00 68.15 69.15 3dpu h THR 466 CO -0.05 0.66 -0.35 -1.28 -0.01 0.00 0.00 175.52 174.48 3dpu h SER 467 N 0.30 0.70 -0.06 0.00 0.87 -1.84 0.76 113.55 114.28 3dpu h SER 467 Ca -0.04 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3dpu h SER 467 Cb 1.37 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3dpu h SER 467 CO 0.14 1.09 0.03 0.25 -0.53 0.00 0.00 176.83 177.81 3dpu h LEU 468 N 0.34 0.07 -1.02 2.23 7.12 -0.72 -1.39 115.31 121.94 3dpu h LEU 468 Ca 0.02 -0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.00 3dpu h LEU 468 Cb 0.94 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.99 3dpu h LEU 468 CO 0.08 0.13 0.65 0.25 -0.13 0.00 0.00 178.44 179.42 3dpu h LEU 469 N 0.00 1.05 0.01 2.25 5.85 -1.37 -0.92 115.31 122.18 3dpu h LEU 469 Ca 0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dpu h LEU 469 Cb 0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3dpu h LEU 469 CO -0.00 0.69 -0.05 0.11 -0.34 0.00 0.00 178.44 178.85 3dpu h LYS 470 N 1.20 -0.09 -0.71 1.25 6.56 -0.56 -1.08 116.57 123.15 3dpu h LYS 470 Ca 0.42 0.01 0.14 0.00 -1.06 0.00 0.00 60.65 60.15 3dpu h LYS 470 Cb 0.11 0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 31.70 3dpu h LYS 470 CO -0.15 -0.06 0.22 1.96 -2.06 0.00 0.00 179.45 179.36 3dpu h GLN 471 N -0.09 0.34 -0.10 3.15 1.08 -0.25 0.25 115.11 119.49 3dpu h GLN 471 Ca 0.02 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 3dpu h GLN 471 Cb 0.12 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3dpu h GLN 471 CO -0.05 0.22 -0.76 -0.07 -0.95 0.00 0.00 178.83 177.23 3dpu h LEU 472 N 0.35 0.84 0.00 1.46 3.38 -0.92 -3.34 115.31 117.07 3dpu h LEU 472 Ca 0.39 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3dpu h LEU 472 Cb 0.60 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3dpu h LEU 472 CO -0.43 1.37 -1.11 0.16 0.09 0.00 0.00 178.44 178.52 3dpu h ILE 473 N 0.36 0.18 -1.13 1.22 -0.00 -0.99 0.30 117.51 117.45 3dpu h ILE 473 Ca -0.07 -1.35 -0.13 0.00 -0.00 0.00 0.00 64.86 63.32 3dpu h ILE 473 Cb 1.40 1.70 0.00 0.00 -0.00 0.00 0.00 36.82 39.92 3dpu h ILE 473 CO 0.15 0.10 -0.17 0.61 -0.00 0.00 0.00 178.15 178.85 3dpu n GLY 474 N 1.25 0.16 0.48 0.16 0.00 0.85 -4.90 105.19 103.18 3dpu n GLY 474 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dpu n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpu n GLY 486 N -1.00 -3.61 3.71 -0.02 0.00 -1.26 -4.86 105.19 98.15 3dpu n GLY 486 Ca -0.07 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 3dpu n GLY 486 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dpu s LEU 487 N -1.88 3.53 -0.23 0.99 2.96 -1.26 -3.94 118.68 118.85 3dpu s LEU 487 Ca 0.00 -0.23 -0.37 0.00 -0.22 0.00 0.00 54.13 53.32 3dpu s LEU 487 Cb 0.00 -2.20 0.15 0.00 0.50 0.00 0.00 46.19 44.65 3dpu s LEU 487 CO 0.00 0.12 1.37 0.20 -1.32 0.00 0.00 176.35 176.72 3dpu s ASN 488 N -2.74 -0.03 0.06 3.68 0.01 -1.21 -5.02 114.94 109.69 3dpu s ASN 488 Ca 0.28 -0.01 0.08 0.00 -0.71 0.00 0.00 52.86 52.50 3dpu s ASN 488 Cb -0.10 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 3dpu s ASN 488 CO 0.20 -0.06 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.82 3dpu s VAL 489 N -2.09 1.78 -0.04 1.60 1.01 -1.26 -2.28 120.40 119.11 3dpu s VAL 489 Ca 0.12 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.81 3dpu s VAL 489 Cb 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.83 3dpu s VAL 489 CO -0.03 0.18 -0.13 0.68 0.00 0.00 0.00 175.10 175.79 3dpu s VAL 490 N -0.88 1.12 -0.16 2.92 -7.23 -0.90 -5.00 120.40 110.27 3dpu s VAL 490 Ca 0.08 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3dpu s VAL 490 Cb -0.09 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 3dpu s VAL 490 CO 0.02 0.34 -0.10 0.28 -0.31 0.00 0.00 175.10 175.33 3dpu s THR 491 N 0.22 3.14 -0.01 5.32 -1.32 -1.26 -0.60 115.64 121.12 3dpu s THR 491 Ca -0.06 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 3dpu s THR 491 Cb -0.11 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3dpu s THR 491 CO 0.02 0.50 -0.04 -0.54 -2.21 0.00 0.00 174.62 172.34 3dpu s LYS 492 N 0.72 0.42 0.33 7.08 1.02 0.18 -4.97 119.74 124.52 3dpu s LYS 492 Ca -0.05 -0.12 -0.23 0.00 0.02 0.00 0.00 55.97 55.59 3dpu s LYS 492 Cb -0.15 -0.45 -0.10 0.00 -0.52 0.00 0.00 37.83 36.61 3dpu s LYS 492 CO 0.02 0.04 0.89 1.14 -0.92 0.00 0.00 175.35 176.52 3dpu s GLN 493 N 0.22 4.42 0.31 1.68 -2.07 -1.26 -0.41 119.66 122.54 3dpu s GLN 493 Ca -0.02 1.16 0.07 0.00 -1.82 0.00 0.00 55.36 54.75 3dpu s GLN 493 Cb -0.06 -2.67 0.84 0.00 -1.09 0.00 0.00 33.01 30.04 3dpu s GLN 493 CO -0.00 0.23 1.67 0.00 -1.32 0.00 0.00 175.29 175.87 3dpu h ALA 494 N 2.91 1.56 0.00 2.60 0.00 -1.21 0.02 119.26 125.14 3dpu h ALA 494 Ca -0.47 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dpu h ALA 494 Cb 1.19 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3dpu h ALA 494 CO 0.64 -0.44 -0.00 -1.35 0.00 0.00 0.00 179.25 178.10 3dpu h PRO 495 N 0.33 0.00 0.00 0.00 0.11 -1.78 -2.33 132.00 128.32 3dpu h PRO 495 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 3dpu h PRO 495 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dpu h PRO 495 CO -0.59 0.00 -0.68 0.09 -0.21 0.00 0.00 178.00 176.61 3dpu n ASN 496 N -3.27 0.60 -4.73 -2.05 3.02 -0.01 -4.03 115.26 104.80 3dpu n ASN 496 Ca -0.03 -0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 3dpu n ASN 496 Cb 0.08 0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 3dpu n ASN 496 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dpu s ILE 497 N -3.10 4.31 0.22 2.41 1.09 -0.88 -4.68 121.20 120.57 3dpu s ILE 497 Ca 0.08 1.94 -0.17 0.00 -1.10 0.00 0.00 60.65 61.40 3dpu s ILE 497 Cb 0.15 -4.24 0.24 0.00 -1.06 0.00 0.00 42.46 37.55 3dpu s ILE 497 CO 0.74 0.31 1.57 0.50 -0.10 0.00 0.00 174.94 177.95 3dpu h LYS 498 N 5.45 -0.05 0.00 2.79 1.63 -0.69 -1.88 116.57 123.81 3dpu h LYS 498 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 3dpu h LYS 498 Cb 1.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3dpu h LYS 498 CO 0.72 -0.04 0.00 0.78 -3.45 0.00 0.00 179.45 177.46 3dpu h GLY 499 N -0.06 0.00 -1.92 5.01 0.00 -1.84 -3.37 103.07 100.89 3dpu h GLY 499 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3dpu h GLY 499 CO -0.86 0.00 0.00 1.04 0.00 0.00 0.00 176.54 176.72 3dpu n LEU 500 N -2.57 4.11 -0.20 3.11 7.99 -0.71 -4.78 117.00 123.95 3dpu n LEU 500 Ca 0.04 -2.88 -0.01 0.00 -0.01 0.00 0.00 56.01 53.14 3dpu n LEU 500 Cb 0.38 -0.54 0.05 0.00 -0.11 0.00 0.00 43.42 43.21 3dpu n LEU 500 CO 0.28 0.68 0.72 -0.33 -1.51 0.00 0.00 177.39 177.23 3dpu h GLU 501 N 2.25 -0.03 -0.53 3.23 3.07 -1.70 -2.72 114.58 118.15 3dpu h GLU 501 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dpu h GLU 501 Cb 1.46 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 3dpu h GLU 501 CO 0.24 -0.02 0.00 0.09 -1.40 0.00 0.00 179.01 177.92 3dpu n ASN 502 N -5.43 3.71 -4.63 1.42 4.13 -1.26 -4.72 115.26 108.48 3dpu n ASN 502 Ca 0.07 -2.17 -0.43 0.00 1.68 0.00 0.00 54.58 53.73 3dpu n ASN 502 Cb 0.33 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 38.14 3dpu n ASN 502 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3dpu s ASP 503 N -1.06 6.69 0.10 6.41 3.68 -1.03 -4.92 116.67 126.54 3dpu s ASP 503 Ca 0.39 1.11 -0.14 0.00 2.13 0.00 0.00 52.55 56.04 3dpu s ASP 503 Cb 0.22 -2.54 -0.13 0.00 -1.45 0.00 0.00 42.92 39.02 3dpu s ASP 503 CO 0.23 -1.08 1.34 0.44 0.13 0.00 0.00 175.17 176.23 3dpu h ASP 504 N 9.17 0.88 -1.15 -0.34 3.32 -1.92 -3.14 116.42 123.23 3dpu h ASP 504 Ca -0.25 -0.58 0.33 0.00 0.02 0.00 0.00 57.03 56.55 3dpu h ASP 504 Cb 1.09 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 3dpu h ASP 504 CO 1.04 1.30 0.76 -0.08 -1.72 0.00 0.00 179.24 180.54 3dpu h GLU 505 N 0.50 0.24 -0.64 3.56 4.81 -1.99 -1.95 114.58 119.10 3dpu h GLU 505 Ca -0.01 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.87 3dpu h GLU 505 Cb 1.20 -0.05 -0.41 0.00 0.63 0.00 0.00 28.75 30.12 3dpu h GLU 505 CO 0.13 0.16 -1.07 1.47 -0.73 0.00 0.00 179.01 178.96 3dpu n LEU 506 N -4.56 2.23 -0.32 1.64 -0.00 -1.25 -4.88 117.00 109.86 3dpu n LEU 506 Ca 0.29 -3.53 0.16 0.00 -0.00 0.00 0.00 56.01 52.93 3dpu n LEU 506 Cb 1.10 0.29 0.35 0.00 -0.00 0.00 0.00 43.42 45.16 3dpu n LEU 506 CO 0.27 1.36 1.06 0.11 -0.00 0.00 0.00 177.39 180.18 3dpu h LYS 507 N 2.61 0.37 -0.51 1.47 1.57 -1.29 -2.32 116.57 118.47 3dpu h LYS 507 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dpu h LYS 507 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3dpu h LYS 507 CO 0.36 0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.88 3dpu n GLU 508 N -5.05 2.27 -3.02 3.15 1.02 -1.26 -4.47 120.64 113.28 3dpu n GLU 508 Ca 0.25 -1.97 -0.37 0.00 -0.02 0.00 0.00 57.16 55.05 3dpu n GLU 508 Cb 0.74 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 3dpu n GLU 508 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dpu s LEU 510 N -1.93 3.05 -0.11 0.00 1.43 -0.14 -0.79 118.68 120.18 3dpu s LEU 510 Ca 0.44 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3dpu s LEU 510 Cb -0.18 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3dpu s LEU 510 CO 0.22 0.29 -0.19 -0.36 0.23 0.00 0.00 176.35 176.54 3dpu s PHE 511 N -0.95 2.21 -0.48 0.29 0.08 0.45 -1.78 117.98 117.81 3dpu s PHE 511 Ca 0.16 -0.99 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 3dpu s PHE 511 Cb -0.11 -1.54 0.13 0.00 -0.57 0.00 0.00 43.02 40.93 3dpu s PHE 511 CO 0.06 -0.46 0.29 -1.01 -0.10 0.00 0.00 175.22 174.01 3dpu s HIS 512 N 0.70 3.53 -0.67 0.36 3.76 0.78 -0.65 115.29 123.10 3dpu s HIS 512 Ca -0.12 -2.42 -0.27 0.00 -0.15 0.00 0.00 55.06 52.10 3dpu s HIS 512 Cb -0.16 -3.26 0.03 0.00 1.11 0.00 0.00 32.58 30.29 3dpu s HIS 512 CO 0.02 -0.94 1.29 -0.06 -0.85 0.00 0.00 174.74 174.20 3dpu s PHE 513 N 0.86 2.36 -0.08 1.40 0.08 0.23 -0.01 117.98 122.81 3dpu s PHE 513 Ca 0.10 0.18 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 3dpu s PHE 513 Cb -0.22 -4.55 -0.05 0.00 -0.57 0.00 0.00 43.02 37.62 3dpu s PHE 513 CO -0.04 -1.92 0.31 -1.58 -0.10 0.00 0.00 175.22 171.89 3dpu s TRP 514 N 5.65 3.61 -0.38 0.36 0.52 0.39 -2.12 118.94 126.97 3dpu s TRP 514 Ca 0.40 0.75 0.01 0.00 0.02 0.00 0.00 56.10 57.29 3dpu s TRP 514 Cb -0.08 -2.22 0.12 0.00 -1.15 0.00 0.00 33.47 30.14 3dpu s TRP 514 CO 0.19 0.54 0.17 0.34 0.02 0.00 0.00 176.95 178.21 3dpu s ASP 515 N -0.57 3.92 0.86 2.95 2.15 -0.97 -1.45 116.67 123.56 3dpu s ASP 515 Ca 0.19 -2.22 -0.12 0.00 0.43 0.00 0.00 52.55 50.83 3dpu s ASP 515 Cb -0.14 -1.05 0.11 0.00 -0.30 0.00 0.00 42.92 41.54 3dpu s ASP 515 CO 0.08 -0.33 1.11 -0.36 -0.17 0.00 0.00 175.17 175.49 3dpu s PHE 516 N 0.86 2.61 0.00 -5.34 0.40 -1.26 -3.31 117.98 111.94 3dpu s PHE 516 Ca 0.14 1.09 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 3dpu s PHE 516 Cb -0.21 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.11 3dpu s PHE 516 CO -0.10 -2.11 0.00 0.41 0.70 0.00 0.00 175.22 174.12 3dpu n GLY 517 N -1.87 -1.90 0.38 4.36 0.00 -1.25 -4.61 105.19 100.30 3dpu n GLY 517 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3dpu n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpu n GLY 518 N 0.00 1.16 3.32 -0.02 0.00 -1.26 -4.82 105.19 103.56 3dpu n GLY 518 Ca 0.00 -0.21 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 3dpu n GLY 518 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpu s GLN 519 N -0.56 3.18 -1.34 1.61 0.00 -1.26 -4.99 119.66 116.31 3dpu s GLN 519 Ca 0.06 -1.93 -0.17 0.00 -0.00 0.00 0.00 55.36 53.32 3dpu s GLN 519 Cb 0.05 -4.34 0.05 0.00 0.00 0.00 0.00 33.01 28.77 3dpu s GLN 519 CO 0.01 -1.32 1.91 0.39 0.00 0.00 0.00 175.29 176.27 3dpu n GLU 520 N 4.89 2.99 0.17 9.60 -0.58 -1.26 -4.80 120.64 131.64 3dpu n GLU 520 Ca -0.05 -2.99 0.15 0.00 -0.42 0.00 0.00 57.16 53.84 3dpu n GLU 520 Cb 0.42 -3.43 0.74 0.00 -0.57 0.00 0.00 31.44 28.60 3dpu n GLU 520 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3dpu h ILE 521 N 5.05 0.71 -0.00 -3.67 5.03 -1.97 -2.10 117.51 120.56 3dpu h ILE 521 Ca 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.22 3dpu h ILE 521 Cb 0.79 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 35.45 3dpu h ILE 521 CO 1.60 0.00 -0.07 0.23 -0.68 0.00 0.00 178.15 179.23 3dpu n MET 522 N -4.20 0.23 -0.01 2.37 2.81 -1.26 -4.54 117.12 112.52 3dpu n MET 522 Ca 0.02 -0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.76 3dpu n MET 522 Cb 0.32 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 3dpu n MET 522 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3dpu h HIS 523 N 0.09 0.14 -0.56 2.03 6.17 -1.60 0.50 115.15 121.92 3dpu h HIS 523 Ca 0.00 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.03 3dpu h HIS 523 Cb 0.42 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.28 3dpu h HIS 523 CO 0.00 0.24 0.21 0.00 0.71 0.00 0.00 177.93 179.09 3dpu h ALA 524 N 0.88 0.73 0.00 5.26 0.00 -1.80 -3.30 119.26 121.03 3dpu h ALA 524 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dpu h ALA 524 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dpu h ALA 524 CO -0.00 0.36 -1.91 -1.13 0.00 0.00 0.00 179.25 176.56 3dpu n SER 525 N -4.48 0.49 -3.52 0.00 3.41 -1.22 -4.66 113.62 103.64 3dpu n SER 525 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 3dpu n SER 525 Cb 0.17 1.87 -0.09 0.00 -0.26 0.00 0.00 64.21 65.90 3dpu n SER 525 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3dpu n HIS 526 N -2.20 1.86 0.06 7.33 8.25 0.17 -4.97 115.22 125.72 3dpu n HIS 526 Ca -0.05 -3.93 -0.11 0.00 -0.26 0.00 0.00 57.72 53.38 3dpu n HIS 526 Cb 0.53 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 3dpu n HIS 526 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3dpu h GLN 527 N 4.80 -0.25 0.00 -0.41 4.20 -1.74 -2.63 115.11 119.08 3dpu h GLN 527 Ca 0.17 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3dpu h GLN 527 Cb 0.78 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3dpu h GLN 527 CO 0.64 -0.17 -0.20 0.74 -0.67 0.00 0.00 178.83 179.17 3dpu h PHE 528 N -0.26 0.00 -0.97 2.96 0.04 -1.92 -2.24 116.94 114.55 3dpu h PHE 528 Ca 0.05 0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.04 3dpu h PHE 528 Cb 0.33 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.40 3dpu h PHE 528 CO -0.21 0.20 0.63 0.35 -0.60 0.00 0.00 178.31 178.68 3dpu h PHE 529 N 0.00 0.64 0.04 -0.55 3.04 -1.33 0.25 116.94 119.04 3dpu h PHE 529 Ca -0.00 0.02 -0.34 0.00 3.98 0.00 0.00 57.97 61.63 3dpu h PHE 529 Cb 0.47 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 3dpu h PHE 529 CO 0.00 0.13 -2.02 -1.33 -2.02 0.00 0.00 178.31 173.08 3dpu n MET 530 N -4.57 0.69 0.02 1.11 2.81 -0.88 -4.61 117.12 111.69 3dpu n MET 530 Ca 0.22 0.22 0.06 0.00 -1.81 0.00 0.00 57.70 56.39 3dpu n MET 530 Cb 0.75 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 31.46 3dpu n MET 530 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3dpu n THR 531 N -3.18 0.58 -4.39 2.03 -2.24 -0.88 -3.94 114.28 102.25 3dpu n THR 531 Ca -0.28 -0.60 -0.25 0.00 -2.27 0.00 0.00 64.05 60.65 3dpu n THR 531 Cb 1.06 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 3dpu n THR 531 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dpu s ARG 532 N -3.23 1.83 -1.36 -0.78 1.81 0.83 -4.22 118.95 113.83 3dpu s ARG 532 Ca -0.05 -1.56 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 3dpu s ARG 532 Cb 0.11 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.68 3dpu s ARG 532 CO 0.85 0.37 0.00 0.45 -0.68 0.00 0.00 175.30 176.29 3dpu n SER 533 N -0.37 -4.90 -4.39 0.23 2.88 -1.26 -4.62 113.62 101.19 3dpu n SER 533 Ca -0.08 0.32 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 3dpu n SER 533 Cb 0.58 -3.53 -0.13 0.00 -0.75 0.00 0.00 64.21 60.39 3dpu n SER 533 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3dpu s SER 534 N -2.70 3.29 -0.08 -3.46 0.01 -1.26 -1.50 113.70 108.00 3dpu s SER 534 Ca 0.00 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.52 3dpu s SER 534 Cb 0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3dpu s SER 534 CO 0.00 0.17 -0.12 -0.69 0.41 0.00 0.00 173.24 173.01 3dpu s VAL 535 N -1.12 1.17 -0.20 3.43 1.01 0.53 -3.83 120.40 121.40 3dpu s VAL 535 Ca 0.14 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3dpu s VAL 535 Cb -0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3dpu s VAL 535 CO 0.06 0.37 0.27 -0.31 0.00 0.00 0.00 175.10 175.49 3dpu s TYR 536 N 0.89 3.40 -0.42 5.22 1.51 0.27 -0.36 117.35 127.86 3dpu s TYR 536 Ca -0.10 0.48 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 3dpu s TYR 536 Cb -0.15 -2.35 0.11 0.00 -0.11 0.00 0.00 41.96 39.47 3dpu s TYR 536 CO 0.01 0.14 0.16 1.41 -1.11 0.00 0.00 175.55 176.16 3dpu s MET 537 N 0.81 1.80 0.01 -0.62 1.75 0.20 0.74 119.30 123.99 3dpu s MET 537 Ca 0.14 -2.05 -0.30 0.00 -1.25 0.00 0.00 55.69 52.22 3dpu s MET 537 Cb -0.13 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.12 3dpu s MET 537 CO 0.04 -1.03 1.12 -1.17 -0.65 0.00 0.00 175.02 173.33 3dpu s LEU 538 N 0.67 4.35 -0.29 4.11 0.20 -0.06 -1.94 118.68 125.72 3dpu s LEU 538 Ca 0.12 1.84 -0.04 0.00 0.69 0.00 0.00 54.13 56.74 3dpu s LEU 538 Cb -0.21 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.01 3dpu s LEU 538 CO -0.05 -0.42 0.01 -0.76 -0.29 0.00 0.00 176.35 174.84 3dpu s LEU 539 N 1.29 3.70 0.23 -0.68 1.43 -0.29 0.10 118.68 124.46 3dpu s LEU 539 Ca 0.55 -0.97 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 3dpu s LEU 539 Cb -0.25 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3dpu s LEU 539 CO 0.27 -0.21 -0.20 -0.76 0.23 0.00 0.00 176.35 175.68 3dpu s LEU 540 N 1.36 2.56 0.21 1.79 1.43 0.02 -4.55 118.68 121.50 3dpu s LEU 540 Ca -0.01 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.10 3dpu s LEU 540 Cb -0.18 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3dpu s LEU 540 CO -0.01 0.08 0.29 1.51 0.23 0.00 0.00 176.35 178.45 3dpu s ASP 541 N -3.10 0.04 0.22 2.29 1.47 -1.26 -0.16 116.67 116.17 3dpu s ASP 541 Ca 0.26 -1.09 -0.19 0.00 1.18 0.00 0.00 52.55 52.71 3dpu s ASP 541 Cb -0.07 0.46 0.21 0.00 -0.34 0.00 0.00 42.92 43.18 3dpu s ASP 541 CO 0.13 -0.96 1.56 -1.28 0.68 0.00 0.00 175.17 175.30 3dpu h SER 542 N 2.48 -1.36 0.52 2.11 0.87 -1.94 -0.34 113.55 115.88 3dpu h SER 542 Ca -0.31 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3dpu h SER 542 Cb 1.24 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 3dpu h SER 542 CO 0.46 -0.29 0.00 0.54 -0.53 0.00 0.00 176.83 177.00 3dpu n ARG 543 N -5.46 0.01 0.00 2.24 3.00 -1.26 -2.79 116.66 112.40 3dpu n ARG 543 Ca 0.08 0.23 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 3dpu n ARG 543 Cb 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.35 3dpu n ARG 543 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3dpu n THR 544 N -1.49 0.50 -0.30 0.55 -2.24 -0.28 -4.87 114.28 106.15 3dpu n THR 544 Ca 0.04 -0.71 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 3dpu n THR 544 Cb 0.18 0.78 0.38 0.00 -2.10 0.00 0.00 70.33 69.57 3dpu n THR 544 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3dpu h ASP 545 N 0.00 0.66 0.73 3.42 3.58 -1.00 -2.67 116.42 121.15 3dpu h ASP 545 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3dpu h ASP 545 Cb 0.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3dpu h ASP 545 CO 0.00 0.28 0.00 -1.54 -2.88 0.00 0.00 179.24 175.10 3dpu n SER 546 N -4.63 0.29 -0.53 2.28 3.41 -1.26 -2.06 113.62 111.12 3dpu n SER 546 Ca 0.20 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 3dpu n SER 546 Cb 0.56 -0.63 0.48 0.00 -0.26 0.00 0.00 64.21 64.36 3dpu n SER 546 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dpu n ASN 547 N -1.81 1.66 -0.16 4.04 3.02 -1.01 -4.33 115.26 116.68 3dpu n ASN 547 Ca 0.04 -1.56 -0.02 0.00 -0.03 0.00 0.00 54.58 53.00 3dpu n ASN 547 Cb 0.24 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 3dpu n ASN 547 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3dpu h LYS 548 N 2.58 0.09 -0.63 3.52 3.64 -1.58 -1.67 116.57 122.51 3dpu h LYS 548 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dpu h LYS 548 Cb 0.55 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3dpu h LYS 548 CO 0.00 0.06 0.40 0.45 -2.27 0.00 0.00 179.45 178.08 3dpu h HIS 549 N 0.09 0.82 0.10 1.91 3.86 -1.83 0.16 115.15 120.26 3dpu h HIS 549 Ca 0.25 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3dpu h HIS 549 Cb 0.38 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3dpu h HIS 549 CO -0.33 0.54 -0.21 -0.92 0.86 0.00 0.00 177.93 177.87 3dpu h TYR 550 N 0.86 -0.56 -0.20 2.45 3.20 -1.76 -2.34 116.97 118.63 3dpu h TYR 550 Ca 0.23 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3dpu h TYR 550 Cb -0.05 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3dpu h TYR 550 CO -0.02 -0.30 -0.40 -1.49 -1.64 0.00 0.00 178.16 174.31 3dpu h TRP 551 N -0.39 0.53 -0.09 -3.82 4.06 -0.90 0.27 115.95 115.61 3dpu h TRP 551 Ca 0.03 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.85 3dpu h TRP 551 Cb 0.42 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 3dpu h TRP 551 CO -0.20 0.78 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.34 3dpu h LEU 552 N 0.37 -0.15 -0.73 -4.49 3.38 -0.64 -0.83 115.31 112.22 3dpu h LEU 552 Ca 0.03 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3dpu h LEU 552 Cb 0.86 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3dpu h LEU 552 CO 0.07 -0.06 0.07 0.03 0.09 0.00 0.00 178.44 178.64 3dpu h ARG 553 N -0.04 1.04 -0.53 1.13 2.47 -1.14 -2.05 114.38 115.26 3dpu h ARG 553 Ca 0.05 -0.28 0.11 0.00 -1.26 0.00 0.00 59.98 58.59 3dpu h ARG 553 Cb 0.12 -0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 28.23 3dpu h ARG 553 CO -0.11 0.97 -0.01 1.25 0.56 0.00 0.00 179.97 182.64 3dpu h HIS 554 N 0.97 -0.05 -0.56 3.04 2.76 -0.73 -0.02 115.15 120.56 3dpu h HIS 554 Ca 0.19 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3dpu h HIS 554 Cb 0.46 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3dpu h HIS 554 CO 0.03 -0.13 0.19 0.82 -1.30 0.00 0.00 177.93 177.54 3dpu h ILE 555 N 0.11 1.23 -0.91 6.26 2.04 -0.96 -2.62 117.51 122.67 3dpu h ILE 555 Ca 0.27 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3dpu h ILE 555 Cb 0.42 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3dpu h ILE 555 CO -0.46 0.29 0.59 -0.08 0.00 0.00 0.00 178.15 178.50 3dpu h GLU 556 N 0.78 1.13 0.00 2.37 4.81 -0.59 -2.39 114.58 120.69 3dpu h GLU 556 Ca 0.18 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3dpu h GLU 556 Cb 0.26 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3dpu h GLU 556 CO -0.01 0.75 -0.78 0.87 -0.73 0.00 0.00 179.01 179.11 3dpu h LYS 557 N 1.16 0.00 0.00 1.92 1.79 -0.97 -3.38 116.57 117.10 3dpu h LYS 557 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3dpu h LYS 557 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3dpu h LYS 557 CO -0.11 0.15 -0.68 0.66 -1.08 0.00 0.00 179.45 178.39 3dpu n TYR 558 N -2.91 0.30 -1.45 -1.35 4.02 -1.00 -1.99 117.16 112.78 3dpu n TYR 558 Ca -0.01 0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.71 3dpu n TYR 558 Cb 0.64 -0.52 0.10 0.00 -0.02 0.00 0.00 39.34 39.54 3dpu n TYR 558 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3dpu s GLY 559 N -4.35 1.63 0.00 2.72 0.00 -0.91 -4.21 107.32 102.20 3dpu s GLY 559 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3dpu s GLY 559 CO 0.29 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.32 3dpu n GLY 560 N -1.80 0.24 0.94 0.20 0.00 -1.26 -4.47 105.19 99.04 3dpu n GLY 560 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 3dpu n GLY 560 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dpu n LYS 561 N 0.00 2.40 -1.76 1.61 4.76 -1.26 -4.84 118.16 119.06 3dpu n LYS 561 Ca 0.00 -1.47 -0.41 0.00 -2.87 0.00 0.00 58.31 53.55 3dpu n LYS 561 Cb 0.00 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 31.61 3dpu n LYS 561 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3dpu n SER 562 N 0.47 3.73 -4.76 4.39 7.64 -1.26 -4.94 113.62 118.89 3dpu n SER 562 Ca 0.13 1.20 -0.39 0.00 1.01 0.00 0.00 58.87 60.82 3dpu n SER 562 Cb 0.51 -1.60 0.03 0.00 -1.01 0.00 0.00 64.21 62.14 3dpu n SER 562 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3dpu n PRO 563 N 0.96 1.96 -4.39 1.43 -0.02 -1.25 -4.82 135.00 128.87 3dpu n PRO 563 Ca 0.04 0.71 -0.22 0.00 -2.02 0.00 0.00 63.50 62.01 3dpu n PRO 563 Cb 0.38 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 3dpu n PRO 563 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dpu s VAL 564 N -1.24 1.33 -0.14 -1.45 0.11 -0.51 -0.57 120.40 117.94 3dpu s VAL 564 Ca 0.67 -1.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.55 3dpu s VAL 564 Cb -0.43 -1.20 0.03 0.00 -1.53 0.00 0.00 36.38 33.25 3dpu s VAL 564 CO 0.53 0.02 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.61 3dpu s ILE 565 N -0.94 1.12 -0.34 7.04 1.01 0.23 -4.31 121.20 125.00 3dpu s ILE 565 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 3dpu s ILE 565 Cb -0.09 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 3dpu s ILE 565 CO 0.02 0.29 0.61 -0.69 0.00 0.00 0.00 174.94 175.17 3dpu s VAL 566 N 1.66 4.92 -0.26 2.92 1.01 -0.30 -0.89 120.40 129.47 3dpu s VAL 566 Ca 0.03 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 3dpu s VAL 566 Cb -0.14 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3dpu s VAL 566 CO -0.08 -0.26 0.03 -0.69 0.00 0.00 0.00 175.10 174.10 3dpu s VAL 567 N 2.63 3.82 -0.16 2.92 1.01 0.11 -1.12 120.40 129.61 3dpu s VAL 567 Ca 0.23 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 3dpu s VAL 567 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3dpu s VAL 567 CO 0.14 0.27 0.50 -0.04 0.00 0.00 0.00 175.10 175.97 3dpu s MET 568 N 1.52 4.27 0.44 2.72 -1.94 0.11 -0.80 119.30 125.61 3dpu s MET 568 Ca 0.05 0.44 0.06 0.00 -1.71 0.00 0.00 55.69 54.53 3dpu s MET 568 Cb -0.16 -3.50 -0.05 0.00 2.01 0.00 0.00 34.83 33.14 3dpu s MET 568 CO 0.01 0.01 0.12 1.21 -0.01 0.00 0.00 175.02 176.35 3dpu s ASN 569 N 0.88 4.22 -1.99 3.03 2.47 0.77 -1.20 114.94 123.12 3dpu s ASN 569 Ca 0.25 -1.28 0.00 0.00 0.42 0.00 0.00 52.86 52.25 3dpu s ASN 569 Cb -0.15 -0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.43 3dpu s ASN 569 CO 0.10 -0.61 0.00 0.29 -3.72 0.00 0.00 177.10 173.16 3dpu n LYS 570 N -1.20 -1.48 -0.00 0.43 4.76 -1.13 -4.53 118.16 115.01 3dpu n LYS 570 Ca -0.05 1.11 0.23 0.00 -2.87 0.00 0.00 58.31 56.73 3dpu n LYS 570 Cb 0.66 -5.52 0.70 0.00 -1.84 0.00 0.00 35.03 29.03 3dpu n LYS 570 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3dpu h ILE 571 N 0.00 0.34 -0.28 -0.18 5.03 -1.76 -1.18 117.51 119.48 3dpu h ILE 571 Ca -0.41 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.33 3dpu h ILE 571 Cb 1.28 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 35.59 3dpu h ILE 571 CO 0.58 0.00 0.17 -2.24 -0.68 0.00 0.00 178.15 175.98 3dpu h ASP 572 N 0.00 0.33 0.95 1.72 3.04 -1.88 -2.64 116.42 117.94 3dpu h ASP 572 Ca 0.28 -0.01 -0.22 0.00 -3.24 0.00 0.00 57.03 53.84 3dpu h ASP 572 Cb 1.47 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 39.64 3dpu h ASP 572 CO -0.00 0.25 -1.08 -0.33 -2.04 0.00 0.00 179.24 176.04 3dpu h GLU 573 N 0.39 0.00 -2.46 4.15 5.08 -1.60 -3.41 114.58 116.73 3dpu h GLU 573 Ca 0.10 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.87 3dpu h GLU 573 Cb -0.02 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 28.85 3dpu h GLU 573 CO -0.02 0.90 -0.92 -0.80 -1.00 0.00 0.00 179.01 177.16 3dpu s ASN 574 N -6.60 1.95 0.50 1.42 -0.87 -1.02 -5.00 114.94 105.32 3dpu s ASN 574 Ca 0.00 -2.93 0.26 0.00 -1.57 0.00 0.00 52.86 48.63 3dpu s ASN 574 Cb 0.10 -0.51 1.36 0.00 -0.02 0.00 0.00 41.25 42.17 3dpu s ASN 574 CO 0.82 -0.20 1.91 -0.65 -2.57 0.00 0.00 177.10 176.41 3dpu h PRO 575 N 5.92 0.10 0.00 -0.60 0.11 -1.73 -1.05 132.00 134.75 3dpu h PRO 575 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3dpu h PRO 575 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3dpu h PRO 575 CO 0.37 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 3dpu n SER 576 N -4.36 0.00 -4.62 -2.05 3.41 -1.26 -4.87 113.62 99.87 3dpu n SER 576 Ca 0.16 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.49 3dpu n SER 576 Cb 0.80 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3dpu n SER 576 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3dpu s TYR 577 N -2.73 2.16 0.36 7.33 6.14 -0.40 -4.97 117.35 125.24 3dpu s TYR 577 Ca 0.19 0.60 0.01 0.00 0.64 0.00 0.00 57.07 58.51 3dpu s TYR 577 Cb 0.16 -4.01 -0.00 0.00 0.42 0.00 0.00 41.96 38.52 3dpu s TYR 577 CO 0.39 -2.72 0.44 -1.71 0.64 0.00 0.00 175.55 172.59 3dpu n ASN 578 N 8.57 -1.19 -4.09 4.32 4.05 -1.26 -5.06 115.26 120.61 3dpu n ASN 578 Ca 0.19 -3.05 -0.10 0.00 0.45 0.00 0.00 54.58 52.06 3dpu n ASN 578 Cb 0.46 2.34 -0.11 0.00 1.23 0.00 0.00 39.78 43.70 3dpu n ASN 578 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 3dpu s ILE 579 N -3.01 0.45 -0.62 -1.44 -4.36 -1.26 -5.04 121.20 105.92 3dpu s ILE 579 Ca 0.33 -1.46 -0.26 0.00 -0.26 0.00 0.00 60.65 59.00 3dpu s ILE 579 Cb -0.00 -1.06 -0.25 0.00 1.25 0.00 0.00 42.46 42.40 3dpu s ILE 579 CO 0.24 -0.68 1.84 -1.84 0.24 0.00 0.00 174.94 174.74 3dpu n GLU 580 N 0.75 0.68 0.07 0.37 0.28 -1.26 -4.76 120.64 116.78 3dpu n GLU 580 Ca -0.18 -1.61 -0.09 0.00 -0.16 0.00 0.00 57.16 55.12 3dpu n GLU 580 Cb 0.58 -3.10 -0.05 0.00 1.43 0.00 0.00 31.44 30.29 3dpu n GLU 580 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 3dpu h GLN 581 N 9.72 -0.41 -0.69 3.44 4.20 -1.97 0.67 115.11 130.07 3dpu h GLN 581 Ca 0.25 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.08 3dpu h GLN 581 Cb 0.79 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.55 3dpu h GLN 581 CO 1.68 -0.27 -0.46 0.87 -0.67 0.00 0.00 178.83 179.99 3dpu h LYS 582 N -0.42 -0.17 -0.47 1.46 1.57 -1.99 0.40 116.57 116.95 3dpu h LYS 582 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3dpu h LYS 582 Cb 0.42 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3dpu h LYS 582 CO -0.15 -0.11 0.24 1.57 -0.57 0.00 0.00 179.45 180.43 3dpu h LYS 583 N -0.17 0.46 -0.60 3.15 -0.00 -1.94 -0.79 116.57 116.69 3dpu h LYS 583 Ca 0.20 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.65 60.76 3dpu h LYS 583 Cb 0.55 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 32.65 3dpu h LYS 583 CO -0.76 0.30 0.15 0.82 -0.00 0.00 0.00 179.45 179.96 3dpu h ILE 584 N 0.47 1.24 -0.06 0.07 2.04 0.96 -2.15 117.51 120.08 3dpu h ILE 584 Ca 0.21 -0.87 -0.18 0.00 1.00 0.00 0.00 64.86 65.02 3dpu h ILE 584 Cb 0.11 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3dpu h ILE 584 CO -0.14 0.33 -0.73 -1.13 0.00 0.00 0.00 178.15 176.47 3dpu h ASN 585 N 0.89 0.38 -0.21 1.72 -1.24 0.20 -0.81 115.58 116.51 3dpu h ASN 585 Ca 0.19 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 3dpu h ASN 585 Cb 0.32 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 3dpu h ASN 585 CO -0.00 0.98 0.11 -0.08 -1.29 0.00 0.00 177.43 177.15 3dpu h GLU 586 N 0.21 0.30 -0.06 6.67 4.81 -0.94 -2.58 114.58 122.99 3dpu h GLU 586 Ca -0.03 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3dpu h GLU 586 Cb 1.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3dpu h GLU 586 CO 0.12 0.31 -0.45 -0.09 -0.73 0.00 0.00 179.01 178.16 3dpu h ARG 587 N 0.22 0.15 -2.20 1.92 9.65 -1.34 -3.35 114.38 119.44 3dpu h ARG 587 Ca 0.07 -0.08 -0.59 0.00 -1.10 0.00 0.00 59.98 58.29 3dpu h ARG 587 Cb 0.10 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 28.27 3dpu h ARG 587 CO -0.01 0.58 -0.75 1.19 2.80 0.00 0.00 179.97 183.78 3dpu n PHE 588 N -3.99 2.33 0.07 2.20 3.01 -0.32 -4.95 117.46 115.81 3dpu n PHE 588 Ca -0.02 -3.97 0.04 0.00 1.01 0.00 0.00 57.45 54.51 3dpu n PHE 588 Cb 0.50 -0.48 0.19 0.00 -0.01 0.00 0.00 39.48 39.68 3dpu n PHE 588 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3dpu n PRO 589 N 1.14 0.05 0.00 -1.08 -0.04 -0.98 -1.38 135.00 132.70 3dpu n PRO 589 Ca 0.27 0.48 0.15 0.00 -0.04 0.00 0.00 63.50 64.35 3dpu n PRO 589 Cb 0.44 -1.79 0.86 0.00 -0.04 0.00 0.00 33.50 32.97 3dpu n PRO 589 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dpu n ALA 590 N -1.50 2.58 0.06 0.55 0.00 -1.26 -2.67 120.51 118.27 3dpu n ALA 590 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 3dpu n ALA 590 Cb 0.14 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 3dpu n ALA 590 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dpu h ILE 591 N 0.00 1.45 -7.04 0.00 2.04 -1.41 -1.35 117.51 111.19 3dpu h ILE 591 Ca 0.00 -3.11 -0.60 0.00 1.00 0.00 0.00 64.86 62.14 3dpu h ILE 591 Cb 0.04 2.71 -0.28 0.00 -0.74 0.00 0.00 36.82 38.56 3dpu h ILE 591 CO 0.00 0.83 -0.92 -0.62 0.00 0.00 0.00 178.15 177.44 3dpu n GLU 592 N -3.28 -1.37 -1.98 2.37 1.02 -1.09 -0.65 120.64 115.67 3dpu n GLU 592 Ca -0.02 0.18 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 3dpu n GLU 592 Cb 0.92 -4.39 -0.05 0.00 -0.02 0.00 0.00 31.44 27.90 3dpu n GLU 592 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dpu n ASN 593 N -2.67 -5.50 -3.79 1.62 3.02 -1.26 -4.91 115.26 101.76 3dpu n ASN 593 Ca -0.07 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3dpu n ASN 593 Cb 0.56 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 3dpu n ASN 593 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dpu n ARG 594 N -2.66 3.39 -4.22 3.52 1.74 0.18 -4.93 116.66 113.68 3dpu n ARG 594 Ca -0.22 -3.17 -0.36 0.00 -0.77 0.00 0.00 57.85 53.34 3dpu n ARG 594 Cb 0.66 -3.04 -0.08 0.00 -1.02 0.00 0.00 32.46 28.98 3dpu n ARG 594 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dpu s PHE 595 N 1.34 3.29 -0.03 -1.55 0.40 -1.26 -1.15 117.98 119.02 3dpu s PHE 595 Ca 0.43 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 3dpu s PHE 595 Cb 0.12 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.83 3dpu s PHE 595 CO -0.03 0.54 -0.02 -1.01 0.70 0.00 0.00 175.22 175.40 3dpu s HIS 596 N -0.89 0.41 -0.29 0.36 3.76 -0.28 -5.00 115.29 113.37 3dpu s HIS 596 Ca 0.13 -0.05 -0.08 0.00 -0.15 0.00 0.00 55.06 54.92 3dpu s HIS 596 Cb -0.12 -0.43 -0.00 0.00 1.11 0.00 0.00 32.58 33.14 3dpu s HIS 596 CO 0.03 -0.12 0.09 1.03 -0.85 0.00 0.00 174.74 174.92 3dpu s ARG 597 N 0.82 3.29 -0.03 1.40 0.52 -1.26 0.06 118.95 123.74 3dpu s ARG 597 Ca -0.09 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 3dpu s ARG 597 Cb -0.12 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 31.95 3dpu s ARG 597 CO -0.01 -0.37 -0.14 0.42 0.02 0.00 0.00 175.30 175.21 3dpu s ILE 598 N 1.55 1.19 0.00 1.52 1.09 -0.34 -4.86 121.20 121.35 3dpu s ILE 598 Ca 0.04 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 3dpu s ILE 598 Cb -0.17 -1.02 0.00 0.00 -1.06 0.00 0.00 42.46 40.21 3dpu s ILE 598 CO 0.03 0.35 0.00 -1.54 -0.10 0.00 0.00 174.94 173.68 3dpu n SER 599 N 3.08 0.00 -3.04 3.58 3.41 -1.26 -2.46 113.62 116.92 3dpu n SER 599 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 3dpu n SER 599 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3dpu n SER 599 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpu n VAL 606 N 2.38 0.00 0.32 0.00 3.14 -1.26 -5.22 118.33 117.69 3dpu n VAL 606 Ca 0.21 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.73 3dpu n VAL 606 Cb 0.54 0.00 0.64 0.00 -1.06 0.00 0.00 33.84 33.96 3dpu n VAL 606 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3dpu h GLU 607 N 0.00 0.00 0.07 1.45 3.07 -1.97 -2.73 114.58 114.47 3dpu h GLU 607 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.61 3dpu h GLU 607 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3dpu h GLU 607 CO 0.00 0.00 -1.10 0.77 -1.40 0.00 0.00 179.01 177.28 3dpu h SER 608 N 0.00 0.41 -0.42 1.42 0.02 -2.00 -3.18 113.55 109.80 3dpu h SER 608 Ca 0.00 -0.39 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 3dpu h SER 608 Cb 0.30 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3dpu h SER 608 CO 0.00 1.25 0.29 0.40 -1.14 0.00 0.00 176.83 177.63 3dpu h ILE 609 N 0.12 0.89 -0.09 3.27 2.04 -1.92 -0.15 117.51 121.68 3dpu h ILE 609 Ca -0.10 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3dpu h ILE 609 Cb 1.79 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3dpu h ILE 609 CO 0.18 0.04 -0.23 0.00 0.00 0.00 0.00 178.15 178.13 3dpu h ALA 610 N 1.79 1.45 -0.45 1.87 0.00 -1.62 0.01 119.26 122.30 3dpu h ALA 610 Ca 0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3dpu h ALA 610 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3dpu h ALA 610 CO -0.03 0.39 -0.05 1.57 0.00 0.00 0.00 179.25 181.13 3dpu h LYS 611 N 0.14 0.84 -0.66 0.00 -0.00 -1.12 -1.21 116.57 114.56 3dpu h LYS 611 Ca 0.02 -0.29 -0.04 0.00 -0.00 0.00 0.00 60.65 60.35 3dpu h LYS 611 Cb 0.50 -0.06 -0.03 0.00 -0.00 0.00 0.00 32.23 32.63 3dpu h LYS 611 CO 0.03 0.91 0.27 0.77 -0.00 0.00 0.00 179.45 181.44 3dpu h SER 612 N 0.68 0.91 -0.26 7.07 0.02 -1.24 0.13 113.55 120.85 3dpu h SER 612 Ca 0.12 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3dpu h SER 612 Cb 0.57 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3dpu h SER 612 CO 0.03 0.82 0.10 -0.07 -1.14 0.00 0.00 176.83 176.58 3dpu h LEU 613 N 0.93 0.13 -0.41 5.07 3.38 -0.96 0.27 115.31 123.71 3dpu h LEU 613 Ca 0.22 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3dpu h LEU 613 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3dpu h LEU 613 CO -0.02 0.11 0.20 0.50 0.09 0.00 0.00 178.44 179.31 3dpu h LYS 614 N 0.23 0.39 -0.83 1.13 3.64 -0.86 -1.70 116.57 118.58 3dpu h LYS 614 Ca 0.11 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3dpu h LYS 614 Cb 0.07 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 3dpu h LYS 614 CO -0.10 0.26 0.50 1.03 -2.27 0.00 0.00 179.45 178.87 3dpu h SER 615 N 0.40 0.78 -0.34 4.20 0.87 -0.43 -2.34 113.55 116.70 3dpu h SER 615 Ca 0.18 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3dpu h SER 615 Cb 0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3dpu h SER 615 CO -0.13 0.50 -0.10 0.00 -0.53 0.00 0.00 176.83 176.56 3dpu h ALA 616 N 1.40 0.47 -0.55 6.23 0.00 -0.48 -3.04 119.26 123.28 3dpu h ALA 616 Ca 0.36 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dpu h ALA 616 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3dpu h ALA 616 CO -0.18 0.33 0.16 0.28 0.00 0.00 0.00 179.25 179.84 3dpu h VAL 617 N 0.45 1.22 -0.22 0.00 2.07 -1.13 -2.74 116.25 115.89 3dpu h VAL 617 Ca 0.08 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3dpu h VAL 617 Cb 0.61 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3dpu h VAL 617 CO 0.04 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3dpu n LEU 618 N -4.29 1.33 -4.62 2.57 4.77 -0.90 -4.38 117.00 111.48 3dpu n LEU 618 Ca 0.04 -0.64 -0.47 0.00 -0.03 0.00 0.00 56.01 54.91 3dpu n LEU 618 Cb 0.20 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3dpu n LEU 618 CO 0.39 0.32 0.85 1.57 -1.33 0.00 0.00 177.39 179.20 3dpu n HIS 619 N 0.19 1.67 -0.27 -1.77 -0.00 -1.04 -4.83 115.22 109.17 3dpu n HIS 619 Ca 0.11 0.57 0.23 0.00 0.46 0.00 0.00 57.72 59.09 3dpu n HIS 619 Cb 0.23 -2.36 0.57 0.00 -0.12 0.00 0.00 29.99 28.30 3dpu n HIS 619 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dpu h PRO 620 N 3.82 0.29 -0.01 1.57 0.11 -1.92 -0.34 132.00 135.54 3dpu h PRO 620 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dpu h PRO 620 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dpu h PRO 620 CO 0.73 0.19 -0.70 -0.25 -0.21 0.00 0.00 178.00 177.76 3dpu n ASP 621 N -4.48 1.48 -2.52 -2.05 8.00 -1.26 -4.48 116.55 111.24 3dpu n ASP 621 Ca 0.22 -1.24 -0.08 0.00 0.71 0.00 0.00 54.79 54.41 3dpu n ASP 621 Cb 0.86 0.73 0.05 0.00 -0.02 0.00 0.00 41.12 42.74 3dpu n ASP 621 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3dpu n SER 622 N -0.74 0.07 -0.31 -2.24 2.88 -0.14 -4.85 113.62 108.29 3dpu n SER 622 Ca 0.06 -1.15 0.20 0.00 -1.33 0.00 0.00 58.87 56.66 3dpu n SER 622 Cb 0.38 -0.26 0.38 0.00 -0.75 0.00 0.00 64.21 63.97 3dpu n SER 622 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3dpu n ILE 623 N -2.40 -0.39 0.74 2.46 -5.35 -1.26 -1.78 119.36 111.37 3dpu n ILE 623 Ca 0.04 1.97 0.06 0.00 -0.27 0.00 0.00 62.75 64.56 3dpu n ILE 623 Cb 0.15 -3.01 0.36 0.00 -1.74 0.00 0.00 39.64 35.41 3dpu n ILE 623 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3dpu n TYR 624 N -5.26 0.00 0.85 4.28 4.01 -1.26 -2.79 117.16 116.99 3dpu n TYR 624 Ca 0.27 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.14 3dpu n TYR 624 Cb 0.91 -0.09 0.46 0.00 -0.31 0.00 0.00 39.34 40.31 3dpu n TYR 624 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dpu n GLY 625 N -0.21 -1.51 3.16 2.72 0.00 -0.73 -4.77 105.19 103.84 3dpu n GLY 625 Ca 0.08 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3dpu n GLY 625 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dpu s THR 626 N -3.05 3.18 0.20 2.61 2.01 -1.12 -4.98 115.64 114.49 3dpu s THR 626 Ca 0.12 -1.64 -0.31 0.00 0.31 0.00 0.00 61.69 60.17 3dpu s THR 626 Cb 0.16 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.60 3dpu s THR 626 CO 0.59 -0.35 1.48 -2.16 -0.69 0.00 0.00 174.62 173.49 3dpu s PRO 627 N 1.22 4.25 0.23 4.92 0.04 -1.26 -4.61 135.00 139.79 3dpu s PRO 627 Ca 0.01 2.30 0.11 0.00 0.04 0.00 0.00 61.00 63.45 3dpu s PRO 627 Cb -0.21 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 3dpu s PRO 627 CO -0.02 -0.49 -0.20 -0.51 0.04 0.00 0.00 177.00 175.81 3dpu s LEU 628 N 0.39 2.52 0.24 -3.56 2.01 0.25 -4.97 118.68 115.56 3dpu s LEU 628 Ca 0.64 -0.96 -0.30 0.00 0.01 0.00 0.00 54.13 53.52 3dpu s LEU 628 Cb -0.42 -1.03 -0.09 0.00 0.01 0.00 0.00 46.19 44.67 3dpu s LEU 628 CO 0.37 0.02 0.99 0.00 1.01 0.00 0.00 176.35 178.74 3dpu s ALA 629 N -2.28 3.35 0.43 4.21 0.00 -1.26 -1.77 121.76 124.45 3dpu s ALA 629 Ca 0.24 0.69 0.26 0.00 0.00 0.00 0.00 51.96 53.15 3dpu s ALA 629 Cb -0.05 -3.25 1.30 0.00 0.00 0.00 0.00 23.12 21.12 3dpu s ALA 629 CO 0.11 0.09 1.69 -1.35 0.00 0.00 0.00 175.76 176.30 3dpu h PRO 630 N 4.19 0.20 -0.28 0.00 0.11 -1.92 -0.95 132.00 133.35 3dpu h PRO 630 Ca -0.45 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3dpu h PRO 630 Cb 1.20 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3dpu h PRO 630 CO 0.68 0.13 -0.48 0.77 -0.21 0.00 0.00 178.00 178.89 3dpu h SER 631 N 0.20 -1.57 -0.79 -2.05 0.02 -1.92 0.26 113.55 107.70 3dpu h SER 631 Ca 0.72 0.21 0.12 0.00 -0.84 0.00 0.00 61.79 62.00 3dpu h SER 631 Cb 2.15 0.65 -0.08 0.00 0.14 0.00 0.00 62.40 65.25 3dpu h SER 631 CO -0.35 -0.42 0.40 -0.50 -1.14 0.00 0.00 176.83 174.82 3dpu h TRP 632 N -0.45 0.72 -0.35 3.45 4.06 -1.56 -0.32 115.95 121.51 3dpu h TRP 632 Ca 0.08 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.98 3dpu h TRP 632 Cb 0.62 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3dpu h TRP 632 CO -0.61 0.22 -0.12 0.82 -3.56 0.00 0.00 178.44 175.19 3dpu h ILE 633 N 0.63 1.28 0.03 1.49 1.08 -1.43 -1.74 117.51 118.86 3dpu h ILE 633 Ca 0.41 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 3dpu h ILE 633 Cb 0.50 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3dpu h ILE 633 CO -0.31 0.40 -0.15 0.11 -0.69 0.00 0.00 178.15 177.51 3dpu h LYS 634 N 0.48 -0.25 -0.01 2.37 6.56 0.78 -2.30 116.57 124.20 3dpu h LYS 634 Ca 0.08 0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.55 3dpu h LYS 634 Cb 0.65 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 3dpu h LYS 634 CO 0.04 -0.17 -0.64 -0.39 -2.06 0.00 0.00 179.45 176.23 3dpu h VAL 635 N -0.26 1.45 -0.35 0.50 -1.51 -1.12 -2.32 116.25 112.64 3dpu h VAL 635 Ca 0.04 -2.17 0.05 0.00 -1.23 0.00 0.00 66.70 63.40 3dpu h VAL 635 Cb 0.31 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 31.58 3dpu h VAL 635 CO -0.12 0.62 0.05 0.50 -1.23 0.00 0.00 177.57 177.39 3dpu h LYS 636 N 0.04 0.16 -0.53 5.19 3.64 -1.21 0.43 116.57 124.29 3dpu h LYS 636 Ca -0.01 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3dpu h LYS 636 Cb 1.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3dpu h LYS 636 CO 0.09 0.10 0.14 0.93 -2.27 0.00 0.00 179.45 178.44 3dpu h GLU 637 N 0.16 0.83 -0.47 1.90 5.08 -0.89 0.88 114.58 122.07 3dpu h GLU 637 Ca 0.17 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3dpu h GLU 637 Cb 0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3dpu h GLU 637 CO -0.24 0.78 -0.05 0.87 -1.00 0.00 0.00 179.01 179.38 3dpu h LYS 638 N 0.73 0.86 -0.84 2.33 1.79 -1.27 -1.93 116.57 118.24 3dpu h LYS 638 Ca 0.17 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3dpu h LYS 638 Cb 0.31 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 3dpu h LYS 638 CO -0.00 0.93 0.48 -0.07 -1.08 0.00 0.00 179.45 179.71 3dpu h LEU 639 N 0.71 1.04 -0.03 2.94 3.38 0.35 -2.28 115.31 121.42 3dpu h LEU 639 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3dpu h LEU 639 Cb 0.58 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dpu h LEU 639 CO 0.03 0.82 -0.01 0.58 0.09 0.00 0.00 178.44 179.96 3dpu h VAL 640 N 1.17 1.29 -0.55 1.22 2.07 -0.68 -1.40 116.25 119.37 3dpu h VAL 640 Ca 0.30 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3dpu h VAL 640 Cb 0.00 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3dpu h VAL 640 CO -0.05 0.23 0.12 -0.33 0.02 0.00 0.00 177.57 177.56 3dpu h GLU 641 N -0.30 0.25 0.19 1.57 3.07 -1.30 -2.02 114.58 116.04 3dpu h GLU 641 Ca 0.01 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3dpu h GLU 641 Cb 0.38 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3dpu h GLU 641 CO 0.00 0.16 -0.09 0.00 -1.40 0.00 0.00 179.01 177.68 3dpu h ALA 642 N 1.43 -0.90 -0.82 3.43 0.00 -1.35 -2.60 119.26 118.45 3dpu h ALA 642 Ca 0.28 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.32 3dpu h ALA 642 Cb 0.40 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 3dpu h ALA 642 CO -0.36 -0.88 -0.11 1.79 0.00 0.00 0.00 179.25 179.69 3dpu h THR 643 N -0.30 0.21 -0.65 0.00 1.35 -1.25 0.20 112.91 112.48 3dpu h THR 643 Ca -0.03 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.81 3dpu h THR 643 Cb 0.20 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 3dpu h THR 643 CO 0.04 0.01 0.36 0.71 -0.25 0.00 0.00 175.52 176.39 3dpu h THR 644 N 0.03 1.19 0.04 6.82 1.35 -1.42 -3.12 112.91 117.81 3dpu h THR 644 Ca 0.43 -0.47 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3dpu h THR 644 Cb 0.73 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3dpu h THR 644 CO -0.80 0.21 -0.02 0.00 -0.25 0.00 0.00 175.52 174.66 3dpu h ALA 645 N 1.50 -0.05 -3.15 6.62 0.00 -0.32 -3.41 119.26 120.44 3dpu h ALA 645 Ca 0.23 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 54.16 3dpu h ALA 645 Cb 0.01 0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.47 3dpu h ALA 645 CO -0.04 -0.08 -0.45 1.14 0.00 0.00 0.00 179.25 179.82 3dpu s GLN 646 N -2.37 2.30 0.00 0.00 -2.07 0.32 -5.01 119.66 112.83 3dpu s GLN 646 Ca -0.12 -2.21 0.00 0.00 -1.82 0.00 0.00 55.36 51.21 3dpu s GLN 646 Cb -0.01 -3.66 0.00 0.00 -1.09 0.00 0.00 33.01 28.25 3dpu s GLN 646 CO 0.44 -1.13 0.00 0.54 -1.32 0.00 0.00 175.29 173.82 3dpu n ARG 647 N 3.98 0.00 -4.13 9.60 1.74 -1.18 -4.38 116.66 122.29 3dpu n ARG 647 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3dpu n ARG 647 Cb 0.39 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.77 3dpu n ARG 647 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3dpu s TYR 648 N -1.45 1.06 0.10 -1.55 1.13 -1.26 -2.09 117.35 113.29 3dpu s TYR 648 Ca 0.00 -1.26 0.10 0.00 -1.41 0.00 0.00 57.07 54.50 3dpu s TYR 648 Cb 0.00 -0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 3dpu s TYR 648 CO 0.00 -0.92 -0.26 -0.51 -2.51 0.00 0.00 175.55 171.35 3dpu s LEU 649 N -3.19 2.27 0.43 -3.49 1.02 0.54 -4.86 118.68 111.39 3dpu s LEU 649 Ca 0.33 -0.69 -0.02 0.00 0.02 0.00 0.00 54.13 53.76 3dpu s LEU 649 Cb 0.02 -1.19 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 3dpu s LEU 649 CO 0.17 0.19 0.68 0.54 0.02 0.00 0.00 176.35 177.95 3dpu s ASN 650 N -1.80 6.22 0.32 2.29 2.20 -1.26 -0.58 114.94 122.32 3dpu s ASN 650 Ca 0.12 0.67 0.09 0.00 -0.94 0.00 0.00 52.86 52.81 3dpu s ASN 650 Cb -0.10 -2.08 0.92 0.00 -2.00 0.00 0.00 41.25 37.98 3dpu s ASN 650 CO 0.05 -0.49 1.67 -0.09 -2.94 0.00 0.00 177.10 175.29 3dpu h ARG 651 N 0.44 0.30 -0.38 3.55 2.43 -0.68 -0.27 114.38 119.77 3dpu h ARG 651 Ca -0.48 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3dpu h ARG 651 Cb 1.22 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3dpu h ARG 651 CO 0.61 0.20 0.11 1.15 -1.51 0.00 0.00 179.97 180.53 3dpu h THR 652 N 0.31 1.22 0.22 0.20 2.02 -1.95 -2.50 112.91 112.44 3dpu h THR 652 Ca 0.65 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3dpu h THR 652 Cb 1.40 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3dpu h THR 652 CO -0.61 0.25 -0.11 -0.33 0.37 0.00 0.00 175.52 175.10 3dpu h GLU 653 N 0.47 -0.29 -0.66 6.66 5.08 -1.44 -1.19 114.58 123.21 3dpu h GLU 653 Ca 0.12 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3dpu h GLU 653 Cb 0.28 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3dpu h GLU 653 CO -0.00 -0.14 0.32 -0.24 -1.00 0.00 0.00 179.01 177.95 3dpu h VAL 654 N -0.37 1.21 -0.17 3.13 3.04 -1.52 -2.41 116.25 119.16 3dpu h VAL 654 Ca -0.03 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 65.01 3dpu h VAL 654 Cb 0.29 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 3dpu h VAL 654 CO 0.05 0.25 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.37 3dpu h GLU 655 N 0.92 0.28 0.02 4.17 5.08 -1.16 -0.73 114.58 123.17 3dpu h GLU 655 Ca 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3dpu h GLU 655 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3dpu h GLU 655 CO -0.03 0.44 -0.01 0.87 -1.00 0.00 0.00 179.01 179.28 3dpu h LYS 656 N 0.26 -0.02 -0.93 2.33 1.57 -0.75 -2.46 116.57 116.57 3dpu h LYS 656 Ca 0.05 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3dpu h LYS 656 Cb 0.44 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.68 3dpu h LYS 656 CO 0.03 0.19 0.56 0.82 -0.57 0.00 0.00 179.45 180.48 3dpu h ILE 657 N -0.24 0.92 -0.38 1.86 2.04 -0.99 -0.38 117.51 120.34 3dpu h ILE 657 Ca -0.00 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.40 3dpu h ILE 657 Cb 0.23 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3dpu h ILE 657 CO 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 178.15 177.98 3dpu h ASN 659 N 0.73 1.01 -0.03 0.00 -0.26 -0.94 0.56 115.58 116.66 3dpu h ASN 659 Ca 0.07 -0.39 0.01 0.00 -0.56 0.00 0.00 56.30 55.42 3dpu h ASN 659 Cb 0.92 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 3dpu h ASN 659 CO 0.08 1.19 0.08 0.44 -1.06 0.00 0.00 177.43 178.17 3dpu h ASP 660 N 0.84 0.00 -0.44 5.81 3.45 -0.94 0.36 116.42 125.49 3dpu h ASP 660 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3dpu h ASP 660 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 3dpu h ASP 660 CO 0.07 0.00 0.00 -1.20 -1.57 0.00 0.00 179.24 176.54 3dpu n SER 661 N -3.30 3.47 -3.07 6.45 7.64 -1.13 -4.99 113.62 118.69 3dpu n SER 661 Ca -0.02 -2.19 -0.14 0.00 1.01 0.00 0.00 58.87 57.53 3dpu n SER 661 Cb 0.16 -0.36 0.07 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.66 -0.33 2.90 0.23 0.00 0.13 -4.84 105.19 103.95 3dpu n GLY 662 Ca 0.17 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.31 1.68 -0.04 -0.61 1.01 0.19 -4.97 121.20 115.16 3dpu s ILE 663 Ca 0.05 -1.90 0.06 0.00 0.00 0.00 0.00 60.65 58.86 3dpu s ILE 663 Cb -0.01 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 3dpu s ILE 663 CO 0.63 -0.59 0.07 0.41 0.00 0.00 0.00 174.94 175.45 3dpu n THR 664 N 4.51 0.24 -1.80 2.92 -1.04 -1.26 -3.36 114.28 114.49 3dpu n THR 664 Ca 0.00 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 3dpu n THR 664 Cb 0.42 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 3dpu n THR 664 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dpu s ASP 665 N -3.32 6.53 0.42 8.00 -1.08 -1.26 -4.85 116.67 121.11 3dpu s ASP 665 Ca -0.03 2.52 0.16 0.00 -0.52 0.00 0.00 52.55 54.68 3dpu s ASP 665 Cb 0.03 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.87 3dpu s ASP 665 CO 0.24 -1.00 1.90 -0.65 0.52 0.00 0.00 175.17 176.19 3dpu h PRO 666 N 10.07 0.00 0.00 4.34 0.11 -1.99 -2.67 132.00 141.86 3dpu h PRO 666 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3dpu h PRO 666 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dpu h PRO 666 CO 0.95 0.28 -0.13 0.78 -0.21 0.00 0.00 178.00 179.66 3dpu h GLY 667 N 0.99 0.00 0.27 -0.55 0.00 -2.00 -1.74 103.07 100.03 3dpu h GLY 667 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 3dpu h GLY 667 CO 0.04 0.00 -2.09 -1.84 0.00 0.00 0.00 176.54 172.64 3dpu n GLU 668 N -3.98 0.67 -0.13 4.80 0.28 -1.10 -3.69 120.64 117.49 3dpu n GLU 668 Ca -0.02 0.03 -0.07 0.00 -0.16 0.00 0.00 57.16 56.94 3dpu n GLU 668 Cb 0.22 -1.60 0.01 0.00 1.43 0.00 0.00 31.44 31.51 3dpu n GLU 668 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3dpu h ARG 669 N 0.00 0.48 -0.36 3.44 2.43 -1.28 0.41 114.38 119.51 3dpu h ARG 669 Ca -0.37 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3dpu h ARG 669 Cb 1.91 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.32 3dpu h ARG 669 CO 0.03 0.32 0.17 0.87 -1.51 0.00 0.00 179.97 179.85 3dpu h LYS 670 N 0.50 0.34 -0.20 0.20 1.57 -1.50 -0.52 116.57 116.97 3dpu h LYS 670 Ca 0.16 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3dpu h LYS 670 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3dpu h LYS 670 CO -0.07 0.22 -0.38 1.79 -0.57 0.00 0.00 179.45 180.44 3dpu h THR 671 N 0.35 1.30 0.06 -0.16 1.35 -1.52 0.63 112.91 114.91 3dpu h THR 671 Ca 0.15 -1.51 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3dpu h THR 671 Cb 0.07 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3dpu h THR 671 CO -0.11 0.47 -0.03 0.25 -0.25 0.00 0.00 175.52 175.85 3dpu h LEU 672 N 0.37 -0.07 -0.75 3.87 5.85 0.08 0.18 115.31 124.85 3dpu h LEU 672 Ca 0.04 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3dpu h LEU 672 Cb 0.84 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3dpu h LEU 672 CO 0.07 0.13 0.44 -0.07 -0.34 0.00 0.00 178.44 178.67 3dpu h LEU 673 N -0.26 0.91 -0.56 2.25 3.38 -0.92 0.59 115.31 120.70 3dpu h LEU 673 Ca -0.01 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3dpu h LEU 673 Cb 0.23 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3dpu h LEU 673 CO 0.01 0.72 -0.10 1.23 0.09 0.00 0.00 178.44 180.40 3dpu h GLY 674 N 1.03 0.45 0.78 0.83 0.00 0.45 0.33 103.07 106.95 3dpu h GLY 674 Ca 0.27 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3dpu h GLY 674 CO -0.05 -0.20 -0.14 -1.82 0.00 0.00 0.00 176.54 174.33 3dpu h TYR 675 N 0.03 -0.37 -0.90 5.60 3.20 0.56 0.33 116.97 125.43 3dpu h TYR 675 Ca 0.27 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.23 3dpu h TYR 675 Cb 0.42 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 3dpu h TYR 675 CO -0.43 -0.09 0.58 -0.07 -1.64 0.00 0.00 178.16 176.51 3dpu h LEU 676 N -0.63 0.82 -0.00 2.82 3.38 -0.78 -0.66 115.31 120.25 3dpu h LEU 676 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dpu h LEU 676 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dpu h LEU 676 CO 0.07 0.49 0.00 -1.13 0.09 0.00 0.00 178.44 177.95 3dpu h ASN 677 N 0.91 0.00 -0.93 -0.43 -1.24 -0.75 -0.87 115.58 112.27 3dpu h ASN 677 Ca 0.41 -0.28 0.18 0.00 0.71 0.00 0.00 56.30 57.32 3dpu h ASN 677 Cb 0.38 -0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.33 3dpu h ASN 677 CO -0.18 0.29 0.51 0.78 -1.29 0.00 0.00 177.43 177.54 3dpu h ASN 678 N -0.28 0.61 0.37 1.15 2.35 -0.37 0.18 115.58 119.60 3dpu h ASN 678 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3dpu h ASN 678 Cb 0.29 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3dpu h ASN 678 CO 0.00 0.20 -0.04 0.18 -1.65 0.00 0.00 177.43 176.12 3dpu n LEU 679 N -4.86 0.19 -2.99 1.61 4.77 -0.31 -2.91 117.00 112.51 3dpu n LEU 679 Ca 0.21 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 3dpu n LEU 679 Cb 0.55 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3dpu n LEU 679 CO 0.19 0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 176.89 3dpu n GLY 680 N 1.22 -0.52 0.13 -0.72 0.00 0.05 -4.83 105.19 100.53 3dpu n GLY 680 Ca 0.16 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.36 0.92 -3.66 -0.61 2.04 -1.46 -3.47 117.51 109.92 3dpu h ILE 681 Ca -0.53 -2.41 -0.20 0.00 1.00 0.00 0.00 64.86 62.72 3dpu h ILE 681 Cb 1.37 2.67 -0.25 0.00 -0.74 0.00 0.00 36.82 39.87 3dpu h ILE 681 CO 0.57 0.77 -0.64 -0.69 0.00 0.00 0.00 178.15 178.16 3dpu s VAL 682 N -2.52 0.03 0.09 1.67 1.01 -1.21 -4.61 120.40 114.86 3dpu s VAL 682 Ca -0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3dpu s VAL 682 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3dpu s VAL 682 CO 0.78 -0.15 0.31 -0.76 0.00 0.00 0.00 175.10 175.29 3dpu s LEU 683 N -0.45 4.32 -0.29 3.92 1.43 -0.55 -3.09 118.68 123.97 3dpu s LEU 683 Ca -0.05 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3dpu s LEU 683 Cb -0.03 -3.07 0.17 0.00 0.03 0.00 0.00 46.19 43.29 3dpu s LEU 683 CO 0.00 0.13 0.56 -0.47 0.23 0.00 0.00 176.35 176.80 3dpu s TYR 684 N -1.53 -1.40 -0.90 0.29 5.04 -1.26 -1.02 117.35 116.57 3dpu s TYR 684 Ca 0.36 1.64 -0.05 0.00 -2.44 0.00 0.00 57.07 56.58 3dpu s TYR 684 Cb -0.13 0.50 0.22 0.00 0.35 0.00 0.00 41.96 42.90 3dpu s TYR 684 CO 0.23 -0.81 0.80 -0.06 -1.34 0.00 0.00 175.55 174.38 3dpu s PHE 685 N 2.80 3.89 0.51 4.97 0.08 -1.26 -4.92 117.98 124.05 3dpu s PHE 685 Ca 0.15 -2.78 0.30 0.00 0.12 0.00 0.00 56.93 54.72 3dpu s PHE 685 Cb -0.15 -3.45 1.41 0.00 -0.57 0.00 0.00 43.02 40.27 3dpu s PHE 685 CO -0.19 -0.83 1.84 1.05 -0.10 0.00 0.00 175.22 176.98 3dpu h GLU 686 N 6.54 0.09 -0.81 0.44 4.11 -1.99 0.12 114.58 123.08 3dpu h GLU 686 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3dpu h GLU 686 Cb 0.88 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3dpu h GLU 686 CO 0.86 0.06 0.51 0.00 0.07 0.00 0.00 179.01 180.51 3dpu h ALA 687 N 1.52 1.03 0.04 1.06 0.00 -2.04 -3.28 119.26 117.59 3dpu h ALA 687 Ca 0.50 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 3dpu h ALA 687 Cb 1.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3dpu h ALA 687 CO -0.07 0.47 -0.68 -0.07 0.00 0.00 0.00 179.25 178.90 3dpu h LEU 688 N 1.10 0.12 -1.47 0.00 3.38 -1.24 -3.48 115.31 113.73 3dpu h LEU 688 Ca 0.29 -0.84 -0.45 0.00 0.09 0.00 0.00 57.88 56.98 3dpu h LEU 688 Cb -0.08 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dpu h LEU 688 CO -0.06 1.29 -0.81 -0.67 0.09 0.00 0.00 178.44 178.28 3dpu n ASP 689 N -4.39 -2.56 -4.70 -0.43 2.03 -0.58 -4.95 116.55 100.97 3dpu n ASP 689 Ca -0.19 -0.82 -0.41 0.00 0.52 0.00 0.00 54.79 53.89 3dpu n ASP 689 Cb 0.65 -3.89 -0.04 0.00 -0.72 0.00 0.00 41.12 37.12 3dpu n ASP 689 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dpu s LEU 690 N -6.95 4.28 0.33 -2.67 1.02 -1.26 -4.95 118.68 108.48 3dpu s LEU 690 Ca 0.27 1.25 0.04 0.00 0.02 0.00 0.00 54.13 55.72 3dpu s LEU 690 Cb -0.14 -3.20 0.65 0.00 0.02 0.00 0.00 46.19 43.52 3dpu s LEU 690 CO 0.83 -0.22 1.92 0.28 0.02 0.00 0.00 176.35 179.17 3dpu h SER 691 N 6.95 0.78 0.71 2.29 0.02 -1.98 -3.13 113.55 119.20 3dpu h SER 691 Ca -0.37 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.37 3dpu h SER 691 Cb 1.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3dpu h SER 691 CO 0.78 0.48 -1.00 -0.33 -1.14 0.00 0.00 176.83 175.62 3dpu h GLU 692 N 0.87 0.16 -3.31 3.45 3.07 -1.92 0.30 114.58 117.20 3dpu h GLU 692 Ca 0.37 -0.22 -0.63 0.00 -0.50 0.00 0.00 59.36 58.39 3dpu h GLU 692 Cb 0.31 0.07 -0.40 0.00 -0.84 0.00 0.00 28.75 27.88 3dpu h GLU 692 CO -0.14 1.03 -0.69 0.42 -1.40 0.00 0.00 179.01 178.23 3dpu s ILE 693 N -2.93 1.97 -0.25 3.13 1.01 -1.19 -4.30 121.20 118.64 3dpu s ILE 693 Ca -0.02 -2.82 0.00 0.00 0.00 0.00 0.00 60.65 57.81 3dpu s ILE 693 Cb 0.09 -2.38 -0.16 0.00 0.01 0.00 0.00 42.46 40.03 3dpu s ILE 693 CO 0.84 -0.82 -0.23 0.00 0.00 0.00 0.00 174.94 174.73 3dpu n TYR 694 N 3.47 0.00 -3.74 3.97 9.36 0.25 -4.35 117.16 126.11 3dpu n TYR 694 Ca 0.06 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.14 3dpu n TYR 694 Cb 0.34 -0.95 -0.15 0.00 -0.63 0.00 0.00 39.34 37.96 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 -2.49 -0.07 0.09 2.97 1.01 -1.02 -4.45 120.40 116.44 3dpu s VAL 695 Ca -0.34 0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3dpu s VAL 695 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 3dpu s VAL 695 CO 0.56 0.09 -0.23 -0.76 0.00 0.00 0.00 175.10 174.75 3dpu s LEU 696 N 1.29 2.27 -0.21 3.92 1.02 -0.19 -0.34 118.68 126.45 3dpu s LEU 696 Ca -0.07 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.12 3dpu s LEU 696 Cb -0.12 -1.03 -0.03 0.00 0.02 0.00 0.00 46.19 45.03 3dpu s LEU 696 CO -0.05 0.13 1.58 -0.62 0.02 0.00 0.00 176.35 177.40 3dpu s ASP 697 N -1.76 6.46 0.52 2.29 -1.08 -0.89 -1.49 116.67 120.72 3dpu s ASP 697 Ca 0.09 1.65 0.37 0.00 -0.52 0.00 0.00 52.55 54.14 3dpu s ASP 697 Cb -0.10 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.36 3dpu s ASP 697 CO 0.04 -1.18 1.76 -0.65 0.52 0.00 0.00 175.17 175.65 3dpu h PRO 698 N 10.36 0.05 -0.10 4.34 0.11 -1.91 -2.04 132.00 142.79 3dpu h PRO 698 Ca -0.33 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.65 3dpu h PRO 698 Cb 1.15 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dpu h PRO 698 CO 1.00 0.03 -0.44 1.25 -0.21 0.00 0.00 178.00 179.63 3dpu h HIS 699 N 0.05 0.64 -0.69 0.65 2.76 -1.96 -1.44 115.15 115.16 3dpu h HIS 699 Ca 0.64 -0.27 -0.03 0.00 -2.20 0.00 0.00 60.37 58.50 3dpu h HIS 699 Cb 2.44 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 31.26 3dpu h HIS 699 CO -0.00 1.04 0.29 2.35 -1.30 0.00 0.00 177.93 180.31 3dpu h TRP 700 N 0.06 1.01 -0.21 5.26 7.01 -1.73 0.31 115.95 127.66 3dpu h TRP 700 Ca -0.03 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.83 3dpu h TRP 700 Cb 1.08 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 3dpu h TRP 700 CO 0.11 0.76 -0.20 0.28 -2.79 0.00 0.00 178.44 176.60 3dpu h VAL 701 N 0.99 1.32 -0.24 2.65 2.07 -1.47 -1.95 116.25 119.63 3dpu h VAL 701 Ca 0.23 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3dpu h VAL 701 Cb 0.16 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3dpu h VAL 701 CO -0.02 0.42 0.04 0.71 0.02 0.00 0.00 177.57 178.73 3dpu h THR 702 N 0.20 1.23 -0.02 2.57 1.35 -1.02 -2.11 112.91 115.10 3dpu h THR 702 Ca 0.04 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.08 3dpu h THR 702 Cb 0.74 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3dpu h THR 702 CO 0.05 0.24 -0.23 0.40 -0.25 0.00 0.00 175.52 175.73 3dpu h ILE 703 N 0.20 1.18 0.59 6.82 2.04 -0.98 -1.94 117.51 125.41 3dpu h ILE 703 Ca 0.07 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3dpu h ILE 703 Cb 0.32 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3dpu h ILE 703 CO 0.00 0.24 -0.38 1.23 0.00 0.00 0.00 178.15 179.25 3dpu h GLY 704 N 0.73 -1.00 1.77 5.37 0.00 -1.08 -2.84 103.07 106.02 3dpu h GLY 704 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 3dpu h GLY 704 CO 0.03 -0.36 -0.33 -0.39 0.00 0.00 0.00 176.54 175.49 3dpu h VAL 705 N -0.92 1.28 -0.55 4.60 -1.51 -1.05 -2.76 116.25 115.34 3dpu h VAL 705 Ca -0.07 -1.33 -0.05 0.00 -1.23 0.00 0.00 66.70 64.02 3dpu h VAL 705 Cb 0.75 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 3dpu h VAL 705 CO 0.06 0.40 0.15 1.88 -1.23 0.00 0.00 177.57 178.83 3dpu h TYR 706 N 0.23 0.86 -0.46 5.19 -1.99 -1.41 0.20 116.97 119.59 3dpu h TYR 706 Ca 0.03 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.55 3dpu h TYR 706 Cb 0.70 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3dpu h TYR 706 CO 0.01 0.71 -0.23 0.00 -0.00 0.00 0.00 178.16 178.66 3dpu h ARG 707 N 0.81 0.95 0.93 4.88 3.08 -1.23 -0.09 114.38 123.70 3dpu h ARG 707 Ca 0.18 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3dpu h ARG 707 Cb 0.28 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.30 3dpu h ARG 707 CO -0.00 1.07 -0.45 0.82 -1.07 0.00 0.00 179.97 180.34 3dpu h ILE 708 N 0.82 0.08 -0.92 2.04 1.08 -1.30 -1.43 117.51 117.88 3dpu h ILE 708 Ca 0.10 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 3dpu h ILE 708 Cb 0.79 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.52 3dpu h ILE 708 CO 0.07 0.00 0.47 0.40 -0.69 0.00 0.00 178.15 178.40 3dpu h ILE 709 N -1.25 0.61 -0.36 -0.67 2.04 -0.43 -2.49 117.51 114.95 3dpu h ILE 709 Ca -0.13 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3dpu h ILE 709 Cb 0.96 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3dpu h ILE 709 CO 0.21 0.10 0.00 0.59 0.00 0.00 0.00 178.15 179.05 3dpu n ASN 710 N -4.92 3.26 -4.75 1.72 5.03 -0.06 -4.85 115.26 110.69 3dpu n ASN 710 Ca 0.21 -1.93 -0.36 0.00 0.87 0.00 0.00 54.58 53.37 3dpu n ASN 710 Cb 0.58 -0.23 0.05 0.00 -1.02 0.00 0.00 39.78 39.15 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 -1.32 4.98 0.08 6.41 0.15 -0.54 -4.91 113.70 118.55 3dpu s SER 711 Ca 0.34 2.45 0.25 0.00 0.70 0.00 0.00 55.95 59.69 3dpu s SER 711 Cb 0.20 -2.60 0.99 0.00 -1.71 0.00 0.00 66.02 62.90 3dpu s SER 711 CO 0.27 -1.74 1.78 -1.54 1.20 0.00 0.00 173.24 173.22 3dpu n SER 712 N -1.73 0.27 -0.64 5.45 3.41 -1.26 -2.67 113.62 116.45 3dpu n SER 712 Ca 0.14 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3dpu n SER 712 Cb 0.49 -0.60 0.36 0.00 -0.26 0.00 0.00 64.21 64.19 3dpu n SER 712 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dpu n LYS 713 N -1.76 1.85 -0.21 4.33 4.01 -1.26 -3.39 118.16 121.72 3dpu n LYS 713 Ca 0.05 -1.27 0.03 0.00 -0.51 0.00 0.00 58.31 56.62 3dpu n LYS 713 Cb 0.32 -1.42 0.05 0.00 -0.51 0.00 0.00 35.03 33.47 3dpu n LYS 713 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3dpu n THR 714 N 0.50 0.79 0.32 -0.18 -2.24 -1.09 -4.55 114.28 107.83 3dpu n THR 714 Ca 0.17 -0.92 0.21 0.00 -2.27 0.00 0.00 64.05 61.24 3dpu n THR 714 Cb 0.38 0.31 1.11 0.00 -2.10 0.00 0.00 70.33 70.03 3dpu n THR 714 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dpu h LYS 715 N 0.00 0.00 -0.02 -0.78 1.79 -1.53 -2.53 116.57 113.50 3dpu h LYS 715 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dpu h LYS 715 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3dpu h LYS 715 CO 0.00 0.00 -0.27 0.27 -1.08 0.00 0.00 179.45 178.37 3dpu n ASN 716 N -3.02 2.04 0.00 0.86 0.23 -1.26 -4.80 115.26 109.31 3dpu n ASN 716 Ca -0.02 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 3dpu n ASN 716 Cb 0.10 0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3dpu n ASN 716 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dpu n GLY 717 N 1.21 0.60 3.34 4.83 0.00 -0.95 -3.95 105.19 110.26 3dpu n GLY 717 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.16 2.89 -0.37 1.61 0.09 -1.26 -1.05 115.29 115.03 3dpu s HIS 718 Ca 0.00 -0.81 -0.09 0.00 -0.00 0.00 0.00 55.06 54.16 3dpu s HIS 718 Cb 0.00 -1.97 0.04 0.00 -0.00 0.00 0.00 32.58 30.65 3dpu s HIS 718 CO 0.00 -0.38 0.19 -1.17 -0.00 0.00 0.00 174.74 173.38 3dpu s LEU 719 N 0.88 4.69 -0.45 0.89 2.96 -0.66 -4.22 118.68 122.78 3dpu s LEU 719 Ca -0.02 -1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 3dpu s LEU 719 Cb -0.15 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.59 3dpu s LEU 719 CO 0.00 -0.40 1.12 0.21 -1.32 0.00 0.00 176.35 175.97 3dpu s ASN 720 N 1.60 6.69 0.33 3.68 3.84 -1.26 -1.92 114.94 127.90 3dpu s ASN 720 Ca 0.01 0.58 0.12 0.00 0.21 0.00 0.00 52.86 53.78 3dpu s ASN 720 Cb -0.20 -2.55 1.02 0.00 -0.55 0.00 0.00 41.25 38.97 3dpu s ASN 720 CO 0.05 -1.18 1.66 0.74 -2.79 0.00 0.00 177.10 175.59 3dpu h THR 721 N 6.13 0.31 -1.17 -5.21 2.02 -1.59 -0.17 112.91 113.24 3dpu h THR 721 Ca -0.22 -0.11 0.35 0.00 0.77 0.00 0.00 66.41 67.20 3dpu h THR 721 Cb 1.06 -0.04 -0.11 0.00 -1.74 0.00 0.00 68.15 67.32 3dpu h THR 721 CO 1.11 0.06 0.75 0.28 0.37 0.00 0.00 175.52 178.09 3dpu h SER 722 N 0.32 0.35 1.26 4.18 0.02 -1.92 -2.49 113.55 115.27 3dpu h SER 722 Ca 0.70 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.76 3dpu h SER 722 Cb 1.56 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.17 3dpu h SER 722 CO -0.61 -0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.02 3dpu h ALA 723 N 1.62 1.00 -0.98 3.77 0.00 -1.43 -3.35 119.26 119.89 3dpu h ALA 723 Ca 0.71 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.82 3dpu h ALA 723 Cb 2.03 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.71 3dpu h ALA 723 CO -0.37 0.00 0.57 -0.07 0.00 0.00 0.00 179.25 179.38 3dpu h LEU 724 N 0.00 0.70 0.16 0.00 3.38 -1.61 0.92 115.31 118.86 3dpu h LEU 724 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dpu h LEU 724 Cb 0.63 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3dpu h LEU 724 CO 0.00 0.22 -0.26 1.23 0.09 0.00 0.00 178.44 179.71 3dpu h GLY 725 N 0.69 -0.52 0.47 0.83 0.00 -1.83 0.56 103.07 103.26 3dpu h GLY 725 Ca 0.58 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 3dpu h GLY 725 CO -0.41 -0.23 -0.44 -1.82 0.00 0.00 0.00 176.54 173.65 3dpu h TYR 726 N -0.50 -1.21 -0.67 5.60 3.20 -1.55 -2.15 116.97 119.70 3dpu h TYR 726 Ca 0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.01 3dpu h TYR 726 Cb 0.51 0.47 -0.12 0.00 1.54 0.00 0.00 36.73 39.12 3dpu h TYR 726 CO -0.22 -0.59 -0.35 0.82 -1.64 0.00 0.00 178.16 176.18 3dpu h ILE 727 N -0.90 0.14 0.00 1.81 2.04 -0.70 -0.49 117.51 119.41 3dpu h ILE 727 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3dpu h ILE 727 Cb 0.77 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3dpu h ILE 727 CO -0.04 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.70 3dpu h LEU 728 N -0.13 0.00 0.00 1.44 3.38 -0.93 -3.38 115.31 115.69 3dpu h LEU 728 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3dpu h LEU 728 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dpu h LEU 728 CO -0.74 0.19 -0.95 0.59 0.09 0.00 0.00 178.44 177.63 3dpu n ASN 729 N -3.08 4.73 -0.01 -0.43 5.03 -0.81 -4.73 115.26 115.95 3dpu n ASN 729 Ca 0.02 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.47 3dpu n ASN 729 Cb 0.61 0.49 -0.02 0.00 -1.02 0.00 0.00 39.78 39.84 3dpu n ASN 729 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3dpu n GLU 730 N -1.90 2.78 0.10 3.52 0.28 -0.25 -5.05 120.64 120.13 3dpu n GLU 730 Ca 0.00 -0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.07 3dpu n GLU 730 Cb 0.45 -1.07 0.39 0.00 1.43 0.00 0.00 31.44 32.65 3dpu n GLU 730 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dpu n GLU 731 N -1.98 0.10 0.00 3.44 2.13 -0.93 -5.07 120.64 118.33 3dpu n GLU 731 Ca -0.03 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3dpu n GLU 731 Cb 0.47 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3dpu n GLU 731 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3dpu n LYS 745 N -1.99 0.00 -3.97 5.31 -0.00 -1.26 -5.12 118.16 111.13 3dpu n LYS 745 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.00 3dpu n LYS 745 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 34.94 3dpu n LYS 745 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3dpu s PHE 746 N 0.00 3.39 0.15 5.58 0.40 -1.26 -5.04 117.98 121.20 3dpu s PHE 746 Ca 0.00 -3.11 0.10 0.00 -0.60 0.00 0.00 56.93 53.32 3dpu s PHE 746 Cb 0.00 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 3dpu s PHE 746 CO 0.00 -0.82 -0.20 0.95 0.70 0.00 0.00 175.22 175.85 3dpu s THR 747 N 0.13 2.65 -0.17 0.64 -4.23 -1.26 -4.89 115.64 108.51 3dpu s THR 747 Ca 0.15 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3dpu s THR 747 Cb -0.23 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.42 3dpu s THR 747 CO -0.03 0.02 0.01 -0.31 -0.54 0.00 0.00 174.62 173.77 3dpu s TYR 748 N -1.33 1.10 1.01 3.99 2.02 -1.26 -5.10 117.35 117.78 3dpu s TYR 748 Ca 0.19 -0.80 -0.15 0.00 -0.37 0.00 0.00 57.07 55.94 3dpu s TYR 748 Cb -0.10 -1.04 0.20 0.00 -0.40 0.00 0.00 41.96 40.62 3dpu s TYR 748 CO 0.10 -0.57 1.15 0.95 -1.57 0.00 0.00 175.55 175.61 3dpu s THR 749 N 1.83 1.89 0.13 -0.71 -4.23 -1.26 -4.74 115.64 108.55 3dpu s THR 749 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 3dpu s THR 749 Cb -0.16 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 3dpu s THR 749 CO -0.07 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.64 3dpu h LEU 750 N -1.89 -0.21 0.47 4.79 4.07 -2.00 -0.22 115.31 120.31 3dpu h LEU 750 Ca -0.49 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 3dpu h LEU 750 Cb 1.31 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.16 3dpu h LEU 750 CO 0.50 -0.08 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.26 3dpu h LEU 751 N -0.01 -1.23 -0.93 1.67 4.07 -2.01 -2.55 115.31 114.32 3dpu h LEU 751 Ca 0.10 0.10 0.27 0.00 0.08 0.00 0.00 57.88 58.43 3dpu h LEU 751 Cb 0.17 0.40 -0.16 0.00 1.08 0.00 0.00 40.66 42.15 3dpu h LEU 751 CO -0.22 -0.61 0.19 -0.33 -1.08 0.00 0.00 178.44 176.39 3dpu h GLU 752 N -0.93 0.10 -0.32 1.13 5.08 -1.85 -0.74 114.58 117.06 3dpu h GLU 752 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dpu h GLU 752 Cb 0.81 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3dpu h GLU 752 CO -0.05 0.07 0.16 1.96 -1.00 0.00 0.00 179.01 180.14 3dpu h GLN 753 N 0.10 0.45 -0.64 2.33 4.20 -0.64 0.64 115.11 121.56 3dpu h GLN 753 Ca 0.61 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 59.32 3dpu h GLN 753 Cb 1.30 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 3dpu h GLN 753 CO -0.77 0.41 0.33 0.00 -0.67 0.00 0.00 178.83 178.13 3dpu h ARG 754 N 0.38 0.59 -0.68 1.46 2.47 -0.87 -1.17 114.38 116.56 3dpu h ARG 754 Ca 0.11 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 3dpu h ARG 754 Cb 0.11 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 3dpu h ARG 754 CO -0.01 0.39 0.18 -0.92 0.56 0.00 0.00 179.97 180.17 3dpu h TYR 755 N 0.60 1.11 -0.65 3.04 3.20 -0.94 -2.22 116.97 121.11 3dpu h TYR 755 Ca 0.30 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3dpu h TYR 755 Cb 0.23 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3dpu h TYR 755 CO -0.10 0.89 0.21 1.25 -1.64 0.00 0.00 178.16 178.78 3dpu h LEU 756 N 1.02 0.95 -0.37 2.82 5.85 -0.30 0.42 115.31 125.69 3dpu h LEU 756 Ca 0.22 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3dpu h LEU 756 Cb 0.33 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 3dpu h LEU 756 CO -0.00 0.90 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.84 3dpu h LEU 757 N 0.95 -0.34 -0.98 2.25 3.38 -1.00 -0.23 115.31 119.35 3dpu h LEU 757 Ca 0.21 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3dpu h LEU 757 Cb 0.28 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3dpu h LEU 757 CO -0.01 -0.12 0.65 0.44 0.09 0.00 0.00 178.44 179.49 3dpu h ASP 758 N 0.00 1.11 -0.56 -0.43 3.32 -0.72 -0.90 116.42 118.24 3dpu h ASP 758 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3dpu h ASP 758 Cb 0.27 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3dpu h ASP 758 CO -0.38 0.79 0.30 0.40 -1.72 0.00 0.00 179.24 178.63 3dpu h ILE 759 N 1.30 1.19 -0.45 0.35 2.04 -0.29 0.40 117.51 122.06 3dpu h ILE 759 Ca 0.37 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3dpu h ILE 759 Cb -0.11 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 3dpu h ILE 759 CO -0.09 0.21 0.01 0.24 0.00 0.00 0.00 178.15 178.52 3dpu h MET 760 N 0.75 0.12 -0.64 2.37 2.86 -0.46 0.52 114.93 120.45 3dpu h MET 760 Ca 0.20 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 3dpu h MET 760 Cb 0.06 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 3dpu h MET 760 CO -0.03 0.08 0.34 0.87 1.06 0.00 0.00 176.91 179.23 3dpu h LYS 761 N 0.12 0.61 -0.19 1.72 1.57 -0.56 -0.50 116.57 119.35 3dpu h LYS 761 Ca 0.22 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3dpu h LYS 761 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3dpu h LYS 761 CO -0.36 0.41 -0.30 0.37 -0.57 0.00 0.00 179.45 179.00 3dpu h GLN 762 N 0.63 0.36 0.00 3.15 5.75 0.38 -1.54 115.11 123.84 3dpu h GLN 762 Ca 0.29 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3dpu h GLN 762 Cb 0.21 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3dpu h GLN 762 CO -0.19 0.63 0.00 1.19 -2.65 0.00 0.00 178.83 177.80 3dpu n PHE 763 N -4.11 0.00 -3.56 3.99 3.01 0.17 -4.29 117.46 112.67 3dpu n PHE 763 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 3dpu n PHE 763 Cb 0.42 -0.33 0.08 0.00 -0.01 0.00 0.00 39.48 39.63 3dpu n PHE 763 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3dpu n GLU 764 N -1.33 -7.77 -0.00 -1.08 1.02 -0.29 -4.49 120.64 106.69 3dpu n GLU 764 Ca 0.11 0.81 0.10 0.00 -0.02 0.00 0.00 57.16 58.15 3dpu n GLU 764 Cb 0.22 -5.81 -0.13 0.00 -0.02 0.00 0.00 31.44 25.70 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 -4.90 0.55 -3.91 -4.62 7.99 -0.65 -4.70 117.00 106.76 3dpu n LEU 765 Ca 0.01 -0.29 -0.08 0.00 -0.01 0.00 0.00 56.01 55.64 3dpu n LEU 765 Cb 0.56 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.84 3dpu n LEU 765 CO 0.63 0.14 0.34 0.00 -1.51 0.00 0.00 177.39 176.99 3dpu s TYR 767 N -3.96 0.01 0.08 0.00 -0.85 -0.56 -4.52 117.35 107.55 3dpu s TYR 767 Ca 0.16 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.38 3dpu s TYR 767 Cb -0.04 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 3dpu s TYR 767 CO 0.07 -0.21 1.03 0.34 -1.52 0.00 0.00 175.55 175.26 3dpu s ASP 768 N -0.95 7.35 -0.01 -0.18 -1.08 -1.26 -0.99 116.67 119.54 3dpu s ASP 768 Ca -0.10 1.85 0.09 0.00 -0.52 0.00 0.00 52.55 53.87 3dpu s ASP 768 Cb -0.06 -2.58 -0.13 0.00 -1.46 0.00 0.00 42.92 38.68 3dpu s ASP 768 CO 0.01 -0.22 0.24 1.21 0.52 0.00 0.00 175.17 176.93 3dpu n GLU 769 N 3.22 1.09 0.00 4.34 2.13 -1.22 -4.97 120.64 125.24 3dpu n GLU 769 Ca 0.05 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3dpu n GLU 769 Cb 0.49 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.04 3dpu n GLU 769 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dpu n GLY 770 N 1.81 1.54 0.46 8.31 0.00 -1.26 -5.00 105.19 111.05 3dpu n GLY 770 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3dpu n GLY 770 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dpu n LYS 771 N -0.48 1.13 -1.90 1.61 2.85 -1.26 -4.89 118.16 115.23 3dpu n LYS 771 Ca 0.00 -1.37 -0.02 0.00 -1.05 0.00 0.00 58.31 55.87 3dpu n LYS 771 Cb 0.00 -1.21 -0.00 0.00 -0.65 0.00 0.00 35.03 33.17 3dpu n LYS 771 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dpu n GLY 772 N 0.53 0.32 2.87 2.58 0.00 -1.26 -4.99 105.19 105.24 3dpu n GLY 772 Ca 0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 3dpu n GLY 772 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3dpu s LEU 773 N -0.57 3.34 0.29 0.99 2.34 -1.26 -1.32 118.68 122.49 3dpu s LEU 773 Ca 0.00 -1.83 -0.10 0.00 0.06 0.00 0.00 54.13 52.25 3dpu s LEU 773 Cb 0.00 -1.21 -0.07 0.00 -0.56 0.00 0.00 46.19 44.35 3dpu s LEU 773 CO 0.00 -0.39 0.64 -0.36 -1.06 0.00 0.00 176.35 175.18 3dpu s PHE 774 N 1.30 3.43 -0.19 3.48 0.40 -0.81 -3.37 117.98 122.22 3dpu s PHE 774 Ca 0.09 0.96 -0.06 0.00 -0.60 0.00 0.00 56.93 57.32 3dpu s PHE 774 Cb -0.18 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 3dpu s PHE 774 CO -0.17 0.14 0.04 0.42 0.70 0.00 0.00 175.22 176.36 3dpu s ILE 775 N -1.99 4.49 -0.64 0.64 -1.09 -0.16 -1.66 121.20 120.79 3dpu s ILE 775 Ca 0.49 -0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.74 3dpu s ILE 775 Cb -0.11 -3.02 0.16 0.00 -1.58 0.00 0.00 42.46 37.92 3dpu s ILE 775 CO 0.23 0.45 0.46 -0.63 -1.23 0.00 0.00 174.94 174.23 3dpu s ILE 776 N 0.56 3.89 0.41 2.92 1.01 -0.22 -1.50 121.20 128.27 3dpu s ILE 776 Ca 0.02 -2.88 0.17 0.00 0.00 0.00 0.00 60.65 57.96 3dpu s ILE 776 Cb -0.13 -3.52 0.37 0.00 0.01 0.00 0.00 42.46 39.19 3dpu s ILE 776 CO 0.02 -0.89 1.85 -0.65 0.00 0.00 0.00 174.94 175.27 3dpu h PRO 777 N 7.14 0.42 0.00 2.79 0.11 -1.83 0.11 132.00 140.74 3dpu h PRO 777 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3dpu h PRO 777 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dpu h PRO 777 CO 0.72 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 3dpu n SER 778 N -4.53 0.00 -0.68 -2.05 3.41 -1.26 -2.20 113.62 106.31 3dpu n SER 778 Ca 0.19 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 3dpu n SER 778 Cb 0.68 -0.50 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 3dpu n SER 778 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dpu n ASN 779 N -1.50 2.47 -4.70 4.04 5.03 0.37 -5.04 115.26 115.94 3dpu n ASN 779 Ca 0.04 -1.72 -0.32 0.00 0.87 0.00 0.00 54.58 53.45 3dpu n ASN 779 Cb 0.20 -0.04 0.13 0.00 -1.02 0.00 0.00 39.78 39.06 3dpu n ASN 779 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3dpu s LEU 780 N -1.32 3.03 0.72 3.41 1.43 -0.94 -2.40 118.68 122.61 3dpu s LEU 780 Ca 0.21 2.22 -0.16 0.00 -1.03 0.00 0.00 54.13 55.37 3dpu s LEU 780 Cb 0.14 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.82 3dpu s LEU 780 CO 0.21 -2.72 1.25 -2.84 0.23 0.00 0.00 176.35 172.48 3dpu s PRO 781 N -4.42 2.12 0.30 1.29 0.02 -1.25 -4.21 135.00 128.84 3dpu s PRO 781 Ca 0.69 1.90 0.15 0.00 0.02 0.00 0.00 61.00 63.77 3dpu s PRO 781 Cb -0.25 -1.81 0.31 0.00 0.02 0.00 0.00 34.50 32.77 3dpu s PRO 781 CO 0.53 -1.89 1.55 1.79 -0.33 0.00 0.00 177.00 178.66 3dpu h THR 782 N -0.16 1.01 -3.95 0.99 1.35 -1.96 -0.94 112.91 109.25 3dpu h THR 782 Ca -0.49 -2.07 -0.66 0.00 -0.55 0.00 0.00 66.41 62.64 3dpu h THR 782 Cb 1.32 2.25 -0.22 0.00 -1.73 0.00 0.00 68.15 69.77 3dpu h THR 782 CO 0.50 0.51 -0.86 -1.10 -0.25 0.00 0.00 175.52 174.31 3dpu s GLN 783 N -3.23 1.38 0.00 4.72 1.11 -1.26 -4.51 119.66 117.86 3dpu s GLN 783 Ca 0.02 -1.28 0.00 0.00 0.01 0.00 0.00 55.36 54.11 3dpu s GLN 783 Cb 0.10 -1.79 0.00 0.00 -1.01 0.00 0.00 33.01 30.30 3dpu s GLN 783 CO 0.73 0.43 0.00 1.51 0.01 0.00 0.00 175.29 177.97 3dpu n ILE 784 N 1.04 0.00 0.00 1.08 3.06 -1.26 -4.97 119.36 118.31 3dpu n ILE 784 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3dpu n ILE 784 Cb 0.53 -0.10 0.00 0.00 0.54 0.00 0.00 39.64 40.61 3dpu n ILE 784 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3dpu n ILE 790 N 0.00 0.00 -2.26 9.51 -0.00 -1.26 -5.20 119.36 120.15 3dpu n ILE 790 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.79 3dpu n ILE 790 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 39.64 39.69 3dpu n ILE 790 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3dpu n THR 791 N 0.00 0.42 -2.64 1.39 -2.24 -1.26 -4.77 114.28 105.18 3dpu n THR 791 Ca 0.00 -1.30 -0.40 0.00 -2.27 0.00 0.00 64.05 60.08 3dpu n THR 791 Cb 0.00 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 3dpu n THR 791 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dpu s GLU 792 N -0.61 4.77 4.74 -0.78 2.12 -1.26 -4.86 118.70 122.82 3dpu s GLU 792 Ca 0.31 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.25 3dpu s GLU 792 Cb 0.34 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.49 3dpu s GLU 792 CO -0.13 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 3dpu n GLY 793 N 1.39 2.85 3.21 -1.50 0.00 -1.26 -3.43 105.19 106.46 3dpu n GLY 793 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3dpu n GLY 793 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dpu s GLU 794 N 0.00 3.35 -0.01 1.61 4.04 -1.26 -5.06 118.70 121.38 3dpu s GLU 794 Ca 0.00 -2.83 -0.30 0.00 0.04 0.00 0.00 54.97 51.88 3dpu s GLU 794 Cb 0.00 -4.14 -0.07 0.00 0.02 0.00 0.00 34.13 29.93 3dpu s GLU 794 CO 0.00 -1.24 1.79 -2.14 -1.84 0.00 0.00 175.26 171.82 3dpu s PRO 795 N -0.55 4.17 -0.02 -4.83 0.02 -1.22 -4.91 135.00 127.65 3dpu s PRO 795 Ca 0.22 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 3dpu s PRO 795 Cb -0.12 -4.04 -0.06 0.00 0.02 0.00 0.00 34.50 30.31 3dpu s PRO 795 CO -0.08 -0.89 1.52 -1.17 -0.33 0.00 0.00 177.00 176.05 3dpu s LEU 796 N 4.13 4.31 -0.03 -5.54 0.20 -0.64 -4.79 118.68 116.33 3dpu s LEU 796 Ca 0.80 2.18 0.08 0.00 0.69 0.00 0.00 54.13 57.87 3dpu s LEU 796 Cb -0.38 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 41.82 3dpu s LEU 796 CO 0.35 -0.82 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.20 3dpu s ARG 797 N 3.12 2.15 -0.14 1.98 0.52 -1.26 -0.45 118.95 124.87 3dpu s ARG 797 Ca 0.68 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 3dpu s ARG 797 Cb -0.32 -2.03 0.07 0.00 0.52 0.00 0.00 34.95 33.18 3dpu s ARG 797 CO 0.27 0.52 0.31 0.12 0.02 0.00 0.00 175.30 176.54 3dpu s PHE 798 N -0.53 -0.51 -0.06 -0.53 5.36 -0.32 -4.45 117.98 116.95 3dpu s PHE 798 Ca 0.08 1.09 0.06 0.00 -0.96 0.00 0.00 56.93 57.20 3dpu s PHE 798 Cb -0.10 0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3dpu s PHE 798 CO -0.00 -0.36 -0.23 0.42 -1.46 0.00 0.00 175.22 173.58 3dpu s ILE 799 N 2.15 2.21 -0.23 3.12 1.01 -0.82 -0.88 121.20 127.75 3dpu s ILE 799 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.61 3dpu s ILE 799 Cb -0.11 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.58 3dpu s ILE 799 CO -0.10 0.57 -0.11 -0.04 0.00 0.00 0.00 174.94 175.26 3dpu s MET 800 N -0.25 2.73 -0.32 2.79 -1.94 0.56 0.03 119.30 122.91 3dpu s MET 800 Ca -0.01 -1.03 -0.14 0.00 -1.71 0.00 0.00 55.69 52.80 3dpu s MET 800 Cb -0.13 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 3dpu s MET 800 CO 0.03 -0.39 0.33 0.15 -0.01 0.00 0.00 175.02 175.13 3dpu s LYS 801 N 1.26 3.72 0.08 2.03 1.02 0.34 -1.13 119.74 127.06 3dpu s LYS 801 Ca -0.01 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 3dpu s LYS 801 Cb -0.16 -3.75 -0.06 0.00 -0.52 0.00 0.00 37.83 33.34 3dpu s LYS 801 CO -0.07 -0.41 0.37 0.71 -0.92 0.00 0.00 175.35 175.03 3dpu s TYR 802 N 1.97 3.56 0.19 3.18 2.02 0.12 0.17 117.35 128.56 3dpu s TYR 802 Ca 0.11 0.70 0.03 0.00 -0.37 0.00 0.00 57.07 57.55 3dpu s TYR 802 Cb -0.16 -2.10 0.08 0.00 -0.40 0.00 0.00 41.96 39.38 3dpu s TYR 802 CO 0.11 0.52 1.44 0.38 -1.57 0.00 0.00 175.55 176.43 3dpu h ASP 803 N 3.59 0.26 -3.36 2.29 -0.00 -1.42 -3.43 116.42 114.35 3dpu h ASP 803 Ca -0.49 -0.19 -0.41 0.00 -0.00 0.00 0.00 57.03 55.95 3dpu h ASP 803 Cb 1.19 -0.08 -0.36 0.00 -0.00 0.00 0.00 39.33 40.08 3dpu h ASP 803 CO 0.68 0.94 -0.76 -0.47 -0.00 0.00 0.00 179.24 179.62 3dpu s TYR 804 N -3.39 0.58 -0.63 4.15 5.04 -1.26 -5.03 117.35 116.80 3dpu s TYR 804 Ca -0.03 -0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.35 3dpu s TYR 804 Cb 0.11 -0.67 0.16 0.00 0.35 0.00 0.00 41.96 41.91 3dpu s TYR 804 CO 0.82 -0.24 0.56 -1.17 -1.34 0.00 0.00 175.55 174.17 3dpu s LEU 805 N 1.52 6.23 0.22 6.97 2.96 -1.26 -4.87 118.68 130.46 3dpu s LEU 805 Ca -0.02 -2.21 -0.31 0.00 -0.22 0.00 0.00 54.13 51.37 3dpu s LEU 805 Cb -0.13 -2.15 -0.14 0.00 0.50 0.00 0.00 46.19 44.27 3dpu s LEU 805 CO -0.03 -0.69 1.22 -2.65 -1.32 0.00 0.00 176.35 172.88 3dpu n PRO 806 N 4.61 1.52 0.00 0.98 -0.02 -1.26 -4.83 135.00 135.99 3dpu n PRO 806 Ca -0.02 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 3dpu n PRO 806 Cb 0.42 -2.07 0.84 0.00 -0.02 0.00 0.00 33.50 32.68 3dpu n PRO 806 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dpu n SER 807 N 1.87 0.00 0.04 2.55 3.41 -1.26 -2.61 113.62 117.62 3dpu n SER 807 Ca 0.13 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.97 3dpu n SER 807 Cb 0.29 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.31 3dpu n SER 807 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dpu n THR 808 N -1.00 0.22 0.22 6.66 -2.24 -1.26 -4.47 114.28 112.41 3dpu n THR 808 Ca 0.21 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 3dpu n THR 808 Cb 0.10 0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.00 0.00 -0.45 2.28 1.08 -1.87 0.15 117.51 118.70 3dpu h ILE 809 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3dpu h ILE 809 Cb 0.72 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3dpu h ILE 809 CO 0.00 0.00 0.29 0.40 -0.69 0.00 0.00 178.15 178.15 3dpu h ILE 810 N -0.82 1.12 -0.85 -0.67 1.08 -1.82 0.76 117.51 116.31 3dpu h ILE 810 Ca -0.04 -0.24 0.11 0.00 -0.39 0.00 0.00 64.86 64.30 3dpu h ILE 810 Cb 0.73 0.48 -0.08 0.00 -3.07 0.00 0.00 36.82 34.88 3dpu h ILE 810 CO -0.09 0.12 0.48 -0.65 -0.69 0.00 0.00 178.15 177.32 3dpu h PRO 811 N 0.60 0.75 0.01 2.37 0.11 -1.76 -0.51 132.00 133.57 3dpu h PRO 811 Ca 0.16 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.04 3dpu h PRO 811 Cb -0.05 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3dpu h PRO 811 CO -0.03 0.49 -0.87 0.00 -0.21 0.00 0.00 178.00 177.38 3dpu h ARG 812 N 0.77 0.11 -0.33 1.05 3.08 -0.41 -2.83 114.38 115.81 3dpu h ARG 812 Ca 0.43 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.23 3dpu h ARG 812 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3dpu h ARG 812 CO -0.28 0.91 -0.28 1.25 -1.07 0.00 0.00 179.97 180.50 3dpu h LEU 813 N 0.06 0.82 -1.03 3.04 5.85 -0.65 -1.82 115.31 121.58 3dpu h LEU 813 Ca -0.03 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.35 3dpu h LEU 813 Cb 1.51 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 3dpu h LEU 813 CO 0.12 1.10 0.63 -0.03 -0.34 0.00 0.00 178.44 179.93 3dpu h MET 814 N 0.55 0.99 0.66 1.25 4.05 -1.05 -0.01 114.93 121.37 3dpu h MET 814 Ca 0.06 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3dpu h MET 814 Cb 0.85 -0.22 0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3dpu h MET 814 CO 0.07 0.65 -0.32 0.82 0.23 0.00 0.00 176.91 178.37 3dpu h ILE 815 N 1.02 0.08 -1.45 1.77 2.04 -1.37 -0.28 117.51 119.30 3dpu h ILE 815 Ca 0.48 -0.34 0.42 0.00 1.00 0.00 0.00 64.86 66.43 3dpu h ILE 815 Cb 0.43 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3dpu h ILE 815 CO -0.24 0.01 1.06 0.00 0.00 0.00 0.00 178.15 178.98 3dpu h ALA 816 N -1.14 3.38 -0.23 1.87 0.00 -0.92 -1.04 119.26 121.17 3dpu h ALA 816 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dpu h ALA 816 Cb 0.70 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dpu h ALA 816 CO 0.15 -1.81 0.00 -1.33 0.00 0.00 0.00 179.25 176.26 3dpu n MET 817 N -4.06 2.18 -0.41 0.00 2.81 -0.05 -4.80 117.12 112.79 3dpu n MET 817 Ca 0.32 -1.75 0.34 0.00 -1.81 0.00 0.00 57.70 54.79 3dpu n MET 817 Cb 1.52 -1.23 0.63 0.00 -0.71 0.00 0.00 33.22 33.43 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 1.91 0.16 0.00 0.03 3.07 0.35 -0.11 115.11 120.51 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 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.16 3dpu h GLN 818 CO 0.00 0.10 0.00 0.45 0.09 0.00 0.00 178.83 179.47 3dpu h HIS 819 N 0.16 0.00 -0.01 0.06 -0.00 -1.87 -3.19 115.15 110.30 3dpu h HIS 819 Ca 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.10 3dpu h HIS 819 Cb 2.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.72 3dpu h HIS 819 CO -0.00 0.00 -0.06 1.04 -0.00 0.00 0.00 177.93 178.91 3dpu n GLN 820 N -2.73 1.03 -1.97 2.45 6.02 -0.05 -5.00 117.38 117.12 3dpu n GLN 820 Ca 0.01 -1.10 -0.41 0.00 -0.01 0.00 0.00 57.00 55.49 3dpu n GLN 820 Cb 0.29 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.15 2.50 0.00 5.09 1.01 -1.21 -0.13 121.20 127.31 3dpu s ILE 821 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3dpu s ILE 821 Cb 0.10 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3dpu s ILE 821 CO 0.19 0.09 0.00 0.00 0.00 0.00 0.00 174.94 175.22 3dpu n LEU 822 N 1.69 0.00 -3.59 2.97 -0.00 -0.57 -4.59 117.00 112.91 3dpu n LEU 822 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.72 3dpu n LEU 822 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.78 3dpu n LEU 822 CO 0.61 0.00 0.55 -0.90 -0.00 0.00 0.00 177.39 177.66 3dpu n ASP 823 N 0.00 5.04 -1.92 1.45 5.75 -1.26 -4.73 116.55 120.88 3dpu n ASP 823 Ca 0.00 -3.48 -0.12 0.00 -0.01 0.00 0.00 54.79 51.18 3dpu n ASP 823 Cb 0.00 -0.91 -0.03 0.00 -1.03 0.00 0.00 41.12 39.16 3dpu n ASP 823 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dpu n ARG 824 N 0.83 -1.78 -2.41 0.11 1.74 -1.26 -4.84 116.66 109.06 3dpu n ARG 824 Ca 0.30 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.63 3dpu n ARG 824 Cb 0.37 -5.05 -0.02 0.00 -1.02 0.00 0.00 32.46 26.74 3dpu n ARG 824 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dpu s MET 825 N -4.06 3.46 -0.15 5.56 0.00 -1.26 -4.83 119.30 118.02 3dpu s MET 825 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 55.69 53.93 3dpu s MET 825 Cb 0.00 -5.42 0.04 0.00 0.00 0.00 0.00 34.83 29.45 3dpu s MET 825 CO 0.00 -2.81 0.40 1.14 0.00 0.00 0.00 175.02 173.75 3dpu s GLN 826 N 5.05 0.46 0.23 3.16 -2.07 -1.26 -1.19 119.66 124.04 3dpu s GLN 826 Ca 0.58 0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 54.59 3dpu s GLN 826 Cb 0.02 0.20 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 3dpu s GLN 826 CO 0.08 -0.07 0.41 1.67 -1.32 0.00 0.00 175.29 176.06 3dpu s TRP 827 N 0.33 0.44 0.51 9.60 -2.14 0.76 -4.92 118.94 123.51 3dpu s TRP 827 Ca -0.01 -0.78 0.39 0.00 2.66 0.00 0.00 56.10 58.36 3dpu s TRP 827 Cb -0.03 0.07 1.56 0.00 -3.10 0.00 0.00 33.47 31.97 3dpu s TRP 827 CO -0.01 -0.91 1.66 -0.09 -2.66 0.00 0.00 176.95 174.94 3dpu h ARG 828 N 2.34 0.05 -0.26 3.25 2.43 -1.34 -0.50 114.38 120.35 3dpu h ARG 828 Ca -0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3dpu h ARG 828 Cb 1.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3dpu h ARG 828 CO 0.40 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 3dpu n TYR 829 N -4.27 0.45 -0.98 2.20 4.02 -1.26 -4.84 117.16 112.48 3dpu n TYR 829 Ca 0.37 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3dpu n TYR 829 Cb 1.59 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.82 3dpu n TYR 829 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dpu n GLY 830 N 0.10 -1.73 3.34 2.72 0.00 -0.20 0.88 105.19 110.30 3dpu n GLY 830 Ca 0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3dpu n GLY 830 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dpu s MET 831 N -1.68 1.11 -0.16 1.61 0.23 -0.38 -0.17 119.30 119.86 3dpu s MET 831 Ca 0.00 -0.64 -0.02 0.00 -1.03 0.00 0.00 55.69 54.00 3dpu s MET 831 Cb 0.00 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 3dpu s MET 831 CO 0.00 -0.44 -0.07 0.08 -2.03 0.00 0.00 175.02 172.56 3dpu s VAL 832 N -3.73 3.51 -0.12 5.16 1.01 -0.34 -1.52 120.40 124.38 3dpu s VAL 832 Ca 0.02 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3dpu s VAL 832 Cb 0.01 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3dpu s VAL 832 CO -0.12 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.48 3dpu s LEU 833 N 0.54 2.10 -0.09 3.92 1.43 0.18 -1.52 118.68 125.25 3dpu s LEU 833 Ca -0.05 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3dpu s LEU 833 Cb -0.15 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.66 3dpu s LEU 833 CO 0.03 0.13 -0.12 -0.54 0.23 0.00 0.00 176.35 176.08 3dpu s LYS 834 N 0.54 1.75 -0.19 1.70 -0.14 0.81 -0.75 119.74 123.46 3dpu s LYS 834 Ca -0.14 -0.40 0.01 0.00 -1.36 0.00 0.00 55.97 54.08 3dpu s LYS 834 Cb -0.17 -1.54 0.03 0.00 -1.68 0.00 0.00 37.83 34.47 3dpu s LYS 834 CO 0.04 -0.06 -0.15 -1.54 -0.76 0.00 0.00 175.35 172.88 3dpu s SER 835 N 0.99 3.27 0.44 2.83 1.04 -1.23 -4.66 113.70 116.38 3dpu s SER 835 Ca -0.08 -0.78 0.10 0.00 0.48 0.00 0.00 55.95 55.67 3dpu s SER 835 Cb -0.15 -1.35 0.98 0.00 0.10 0.00 0.00 66.02 65.60 3dpu s SER 835 CO -0.00 -0.08 2.08 1.56 0.98 0.00 0.00 173.24 177.78 3dpu h GLN 836 N 7.95 0.36 -0.33 4.02 7.50 -1.95 -1.59 115.11 131.08 3dpu h GLN 836 Ca -0.36 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 58.86 3dpu h GLN 836 Cb 1.11 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 3dpu h GLN 836 CO 0.55 0.25 0.39 0.22 -1.50 0.00 0.00 178.83 178.74 3dpu h ASP 837 N 0.37 0.00 -2.30 1.46 -0.00 -2.00 -2.45 116.42 111.51 3dpu h ASP 837 Ca 0.10 0.00 -0.65 0.00 -0.00 0.00 0.00 57.03 56.48 3dpu h ASP 837 Cb -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 39.33 38.93 3dpu h ASP 837 CO -0.02 0.00 -0.21 1.41 -0.00 0.00 0.00 179.24 180.42 3dpu n HIS 838 N -3.65 3.64 -0.45 0.28 8.25 -0.61 -4.93 115.22 117.75 3dpu n HIS 838 Ca 0.05 -3.65 -0.00 0.00 -0.26 0.00 0.00 57.72 53.86 3dpu n HIS 838 Cb 0.54 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 3dpu n HIS 838 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3dpu n GLU 839 N 0.05 -1.97 -1.56 -0.41 0.00 -0.92 -0.08 120.64 115.74 3dpu n GLU 839 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.72 3dpu n GLU 839 Cb 0.36 -3.59 0.00 0.00 0.00 0.00 0.00 31.44 28.21 3dpu n GLU 839 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dpu n GLY 840 N 0.39 0.70 3.78 -1.84 0.00 -1.14 -5.02 105.19 102.06 3dpu n GLY 840 Ca -0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 3dpu n GLY 840 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpu s ALA 841 N -2.54 2.97 -0.22 4.61 0.00 0.88 -4.90 121.76 122.57 3dpu s ALA 841 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3dpu s ALA 841 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.82 3dpu s ALA 841 CO 0.00 -0.52 -0.12 -1.17 0.00 0.00 0.00 175.76 173.95 3dpu s LEU 842 N -3.02 2.62 0.01 0.00 2.96 -1.15 -3.51 118.68 116.59 3dpu s LEU 842 Ca 0.63 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3dpu s LEU 842 Cb -0.25 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3dpu s LEU 842 CO 0.31 -0.13 -0.09 0.00 -1.32 0.00 0.00 176.35 175.11 3dpu s ALA 843 N 1.28 2.92 -0.16 5.97 0.00 0.07 -1.41 121.76 130.44 3dpu s ALA 843 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3dpu s ALA 843 Cb -0.17 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.92 3dpu s ALA 843 CO -0.08 0.60 -0.21 0.21 0.00 0.00 0.00 175.76 176.29 3dpu s LYS 844 N -1.41 2.96 -0.31 0.00 2.20 0.49 0.51 119.74 124.17 3dpu s LYS 844 Ca 0.16 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.89 3dpu s LYS 844 Cb -0.11 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3dpu s LYS 844 CO 0.07 -0.12 0.08 0.08 -0.36 0.00 0.00 175.35 175.10 3dpu s VAL 845 N 1.08 3.77 0.12 4.02 1.01 -0.57 -1.31 120.40 128.52 3dpu s VAL 845 Ca -0.01 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.12 3dpu s VAL 845 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3dpu s VAL 845 CO -0.08 -0.05 -0.26 0.54 0.00 0.00 0.00 175.10 175.25 3dpu s VAL 846 N 1.43 2.31 -0.13 2.92 0.11 -0.38 -1.25 120.40 125.42 3dpu s VAL 846 Ca 0.00 -1.72 0.01 0.00 -2.93 0.00 0.00 61.98 57.35 3dpu s VAL 846 Cb -0.18 -2.02 0.02 0.00 -1.53 0.00 0.00 36.38 32.66 3dpu s VAL 846 CO 0.02 0.10 -0.16 0.00 -3.33 0.00 0.00 175.10 171.73 3dpu s ALA 847 N -1.06 1.87 -0.35 1.54 0.00 0.25 -0.58 121.76 123.44 3dpu s ALA 847 Ca 0.14 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3dpu s ALA 847 Cb -0.10 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.12 3dpu s ALA 847 CO 0.06 -0.17 0.14 -2.00 0.00 0.00 0.00 175.76 173.79 3dpu s GLU 848 N 1.11 2.66 0.20 0.00 2.56 -0.77 -4.83 118.70 119.63 3dpu s GLU 848 Ca -0.03 -1.18 -0.09 0.00 0.00 0.00 0.00 54.97 53.68 3dpu s GLU 848 Cb -0.14 -3.55 0.12 0.00 2.00 0.00 0.00 34.13 32.56 3dpu s GLU 848 CO -0.05 -0.69 1.73 1.15 -0.56 0.00 0.00 175.26 176.84 3dpu h THR 849 N 6.10 1.26 0.00 -1.70 2.02 -1.98 -2.01 112.91 116.60 3dpu h THR 849 Ca -0.24 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3dpu h THR 849 Cb 1.09 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3dpu h THR 849 CO 0.63 0.35 0.03 0.11 0.37 0.00 0.00 175.52 177.00 3dpu h LYS 850 N 1.06 0.00 -0.00 6.66 1.57 -1.97 -2.41 116.57 121.47 3dpu h LYS 850 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3dpu h LYS 850 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3dpu h LYS 850 CO -0.01 0.00 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.59 3dpu n ASP 851 N -3.02 0.92 -3.78 0.86 10.43 -1.01 -5.02 116.55 115.93 3dpu n ASP 851 Ca -0.03 -0.96 -0.32 0.00 2.57 0.00 0.00 54.79 56.05 3dpu n ASP 851 Cb 0.09 0.29 0.03 0.00 1.84 0.00 0.00 41.12 43.37 3dpu n ASP 851 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3dpu n SER 852 N -0.19 -4.23 -3.99 -2.24 7.64 -0.79 -4.70 113.62 105.13 3dpu n SER 852 Ca 0.01 -1.05 -0.17 0.00 1.01 0.00 0.00 58.87 58.67 3dpu n SER 852 Cb 0.06 -3.10 -0.15 0.00 -1.01 0.00 0.00 64.21 60.02 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 -3.57 0.56 -0.18 0.44 -1.32 -1.07 -0.71 115.64 109.80 3dpu s THR 853 Ca 0.39 -0.30 -0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3dpu s THR 853 Cb -0.15 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 3dpu s THR 853 CO 0.88 0.16 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.68 3dpu s ILE 854 N -0.14 2.62 -0.11 5.08 -1.09 -0.28 -1.84 121.20 125.44 3dpu s ILE 854 Ca 0.02 -0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 3dpu s ILE 854 Cb -0.03 -2.13 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3dpu s ILE 854 CO -0.00 0.50 0.02 -0.89 -1.23 0.00 0.00 174.94 173.34 3dpu s THR 855 N 1.10 4.47 -0.23 2.92 2.01 0.26 -0.32 115.64 125.86 3dpu s THR 855 Ca 0.00 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3dpu s THR 855 Cb -0.14 -2.91 0.05 0.00 0.01 0.00 0.00 72.50 69.50 3dpu s THR 855 CO -0.05 0.58 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 3dpu s ILE 856 N -0.64 1.97 -0.09 1.82 1.01 -0.06 -1.25 121.20 123.96 3dpu s ILE 856 Ca 0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 3dpu s ILE 856 Cb -0.12 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3dpu s ILE 856 CO 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 174.94 175.07 3dpu s ALA 857 N 1.23 3.19 0.01 9.38 0.00 -0.43 -1.17 121.76 133.96 3dpu s ALA 857 Ca -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3dpu s ALA 857 Cb -0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3dpu s ALA 857 CO -0.07 0.52 -0.05 0.42 0.00 0.00 0.00 175.76 176.58 3dpu s ILE 858 N -0.66 0.37 0.20 0.00 1.01 0.40 -0.38 121.20 122.14 3dpu s ILE 858 Ca 0.10 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.47 3dpu s ILE 858 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 3dpu s ILE 858 CO 0.02 -0.00 0.01 -1.10 0.00 0.00 0.00 174.94 173.87 3dpu s GLN 859 N -0.40 2.42 0.00 2.79 -0.21 -0.50 -1.62 119.66 122.14 3dpu s GLN 859 Ca -0.01 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.20 3dpu s GLN 859 Cb -0.03 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3dpu s GLN 859 CO -0.00 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 3dpu n GLY 860 N -0.39 1.73 3.63 3.09 0.00 -1.26 -2.95 105.19 109.04 3dpu n GLY 860 Ca -0.09 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 3dpu n GLY 860 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpu n GLU 861 N -1.40 0.53 -0.02 1.61 1.02 -1.26 -4.64 120.64 116.48 3dpu n GLU 861 Ca 0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3dpu n GLU 861 Cb 0.00 -2.27 0.23 0.00 -0.02 0.00 0.00 31.44 29.39 3dpu n GLU 861 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3dpu h PRO 862 N -0.24 0.57 -0.49 3.49 0.11 -1.99 -0.82 132.00 132.63 3dpu h PRO 862 Ca -0.48 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.37 3dpu h PRO 862 Cb 1.33 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3dpu h PRO 862 CO 0.47 0.66 -0.10 0.00 -0.21 0.00 0.00 178.00 178.83 3dpu h ARG 863 N 0.53 0.93 0.40 1.05 -0.00 -1.99 -2.90 114.38 112.41 3dpu h ARG 863 Ca 0.10 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 3dpu h ARG 863 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 3dpu h ARG 863 CO 0.03 1.01 -0.30 0.00 0.00 0.00 0.00 179.97 180.71 3dpu h LYS 865 N -0.69 -0.40 0.03 0.00 1.57 -1.17 -1.14 116.57 114.78 3dpu h LYS 865 Ca -0.04 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3dpu h LYS 865 Cb 0.59 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3dpu h LYS 865 CO 0.01 -0.26 -0.19 0.00 -0.57 0.00 0.00 179.45 178.44 3dpu h ARG 866 N -0.41 -0.31 -0.17 3.15 3.08 -1.53 -0.91 114.38 117.28 3dpu h ARG 866 Ca 0.10 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3dpu h ARG 866 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3dpu h ARG 866 CO -0.40 -0.20 -0.05 0.93 -1.07 0.00 0.00 179.97 179.18 3dpu h GLU 867 N -0.32 0.26 -0.06 0.04 5.08 -1.32 -2.54 114.58 115.72 3dpu h GLU 867 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dpu h GLU 867 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3dpu h GLU 867 CO -0.15 0.32 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.21 3dpu h TYR 868 N 0.25 0.17 -0.62 4.33 3.20 -0.64 -3.11 116.97 120.55 3dpu h TYR 868 Ca 0.06 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.00 3dpu h TYR 868 Cb 0.25 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.36 3dpu h TYR 868 CO 0.00 0.58 -0.26 1.25 -1.64 0.00 0.00 178.16 178.09 3dpu h LEU 869 N -0.29 -0.92 -1.32 2.82 5.85 -0.88 -1.42 115.31 119.14 3dpu h LEU 869 Ca 0.01 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3dpu h LEU 869 Cb 0.55 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3dpu h LEU 869 CO 0.01 -0.27 0.42 0.77 -0.34 0.00 0.00 178.44 179.03 3dpu h SER 870 N -0.10 0.77 0.15 1.25 4.64 -1.48 1.37 113.55 120.15 3dpu h SER 870 Ca 0.27 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 3dpu h SER 870 Cb 0.53 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3dpu h SER 870 CO -0.68 0.57 -0.64 0.16 -0.87 0.00 0.00 176.83 175.37 3dpu h ILE 871 N 0.90 1.35 -0.19 0.95 -0.00 -1.23 0.19 117.51 119.47 3dpu h ILE 871 Ca 0.24 -1.96 -0.08 0.00 -0.00 0.00 0.00 64.86 63.06 3dpu h ILE 871 Cb -0.08 1.94 -0.00 0.00 -0.00 0.00 0.00 36.82 38.68 3dpu h ILE 871 CO -0.05 0.60 -0.20 0.40 -0.00 0.00 0.00 178.15 178.89 3dpu h ILE 872 N 0.34 1.33 -0.52 0.16 1.08 -0.35 -2.58 117.51 116.97 3dpu h ILE 872 Ca -0.01 -1.37 0.09 0.00 -0.39 0.00 0.00 64.86 63.17 3dpu h ILE 872 Cb 1.19 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 36.65 3dpu h ILE 872 CO 0.11 0.42 0.10 -0.25 -0.69 0.00 0.00 178.15 177.84 3dpu h TRP 873 N 0.15 0.15 0.49 1.37 7.01 0.19 -1.35 115.95 123.95 3dpu h TRP 873 Ca 0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 3dpu h TRP 873 Cb 0.75 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 3dpu h TRP 873 CO 0.08 -0.02 -0.26 -0.92 -2.79 0.00 0.00 178.44 174.54 3dpu h TYR 874 N 0.23 -0.66 -0.67 2.65 3.20 -0.62 -1.00 116.97 120.10 3dpu h TYR 874 Ca 0.26 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 3dpu h TYR 874 Cb 0.36 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 3dpu h TYR 874 CO -0.24 -0.40 0.29 0.93 -1.64 0.00 0.00 178.16 177.09 3dpu h GLU 875 N -0.69 0.47 -0.26 1.82 4.39 -1.14 0.12 114.58 119.29 3dpu h GLU 875 Ca -0.06 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.65 3dpu h GLU 875 Cb 0.54 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 3dpu h GLU 875 CO 0.09 0.31 0.01 0.82 -1.16 0.00 0.00 179.01 179.08 3dpu h ILE 876 N 0.48 0.83 -0.29 3.13 2.04 -1.05 -2.27 117.51 120.38 3dpu h ILE 876 Ca 0.34 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 3dpu h ILE 876 Cb 0.42 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3dpu h ILE 876 CO -0.31 0.02 0.18 0.11 0.00 0.00 0.00 178.15 178.15 3dpu h LYS 877 N 0.09 0.39 -0.52 2.37 1.57 0.34 -0.90 116.57 119.92 3dpu h LYS 877 Ca 0.12 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3dpu h LYS 877 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3dpu h LYS 877 CO -0.20 0.27 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.59 3dpu h LYS 878 N 0.40 1.01 0.23 3.15 3.64 -0.30 -2.34 116.57 122.35 3dpu h LYS 878 Ca 0.11 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 3dpu h LYS 878 Cb -0.02 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3dpu h LYS 878 CO -0.02 1.07 -0.11 0.82 -2.27 0.00 0.00 179.45 178.94 3dpu h ILE 879 N 0.89 0.84 -1.18 2.00 1.08 -0.95 -3.17 117.51 117.02 3dpu h ILE 879 Ca 0.13 -0.48 0.35 0.00 -0.39 0.00 0.00 64.86 64.47 3dpu h ILE 879 Cb 0.71 1.12 -0.11 0.00 -3.07 0.00 0.00 36.82 35.47 3dpu h ILE 879 CO 0.05 0.11 0.75 0.78 -0.69 0.00 0.00 178.15 179.16 3dpu h ASN 880 N -0.55 0.34 0.78 1.72 -0.26 -1.05 0.68 115.58 117.24 3dpu h ASN 880 Ca -0.03 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3dpu h ASN 880 Cb 0.41 0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3dpu h ASN 880 CO 0.05 -0.06 -0.02 0.00 -1.06 0.00 0.00 177.43 176.35 3dpu h ALA 881 N 1.62 1.01 0.00 -0.83 0.00 -1.39 -2.22 119.26 117.45 3dpu h ALA 881 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 3dpu h ALA 881 Cb 2.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3dpu h ALA 881 CO -0.37 0.02 0.00 -0.91 0.00 0.00 0.00 179.25 178.00 3dpu h ASN 882 N 0.00 0.00 -2.89 0.00 4.21 -0.98 -3.43 115.58 112.50 3dpu h ASN 882 Ca -0.00 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.88 3dpu h ASN 882 Cb 0.41 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.57 3dpu h ASN 882 CO 0.00 0.00 -0.48 -0.36 -1.29 0.00 0.00 177.43 175.30 3dpu s PHE 883 N -3.39 3.53 0.00 1.19 0.08 -0.84 -5.02 117.98 113.53 3dpu s PHE 883 Ca 0.04 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.42 3dpu s PHE 883 Cb 0.09 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3dpu s PHE 883 CO 0.51 0.60 0.00 0.25 -0.10 0.00 0.00 175.22 176.48 3dpu n THR 884 N 0.57 0.00 -1.13 0.64 -2.24 -0.84 -4.40 114.28 106.88 3dpu n THR 884 Ca -0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 3dpu n THR 884 Cb 0.52 -0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 3dpu n THR 884 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dpu n ASN 885 N 0.00 5.68 -4.77 3.42 4.13 -1.26 -4.93 115.26 117.53 3dpu n ASN 885 Ca 0.00 -2.65 -0.39 0.00 1.68 0.00 0.00 54.58 53.22 3dpu n ASN 885 Cb 0.00 -1.38 -0.00 0.00 -1.54 0.00 0.00 39.78 36.85 3dpu n ASN 885 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3dpu s LEU 886 N -0.49 4.20 -0.34 3.41 2.96 -1.26 -4.96 118.68 122.20 3dpu s LEU 886 Ca 0.65 2.68 0.01 0.00 -0.22 0.00 0.00 54.13 57.26 3dpu s LEU 886 Cb 0.33 -3.91 0.10 0.00 0.50 0.00 0.00 46.19 43.21 3dpu s LEU 886 CO -0.05 -0.89 0.10 -0.62 -1.32 0.00 0.00 176.35 173.56 3dpu s ASP 887 N -0.72 4.25 -0.15 3.68 2.15 -1.26 -5.05 116.67 119.57 3dpu s ASP 887 Ca 0.58 -1.93 -0.02 0.00 0.43 0.00 0.00 52.55 51.61 3dpu s ASP 887 Cb -0.39 -1.15 -0.02 0.00 -0.30 0.00 0.00 42.92 41.07 3dpu s ASP 887 CO 0.50 -0.39 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.34 3dpu s VAL 888 N 1.23 3.44 -0.09 1.11 1.01 -1.25 -1.15 120.40 124.70 3dpu s VAL 888 Ca 0.11 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3dpu s VAL 888 Cb -0.19 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3dpu s VAL 888 CO -0.17 0.50 -0.10 -0.54 0.00 0.00 0.00 175.10 174.80 3dpu s LYS 889 N 0.47 2.95 -0.16 2.72 1.02 0.13 -4.90 119.74 121.97 3dpu s LYS 889 Ca -0.06 -0.61 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 3dpu s LYS 889 Cb -0.15 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3dpu s LYS 889 CO 0.04 0.50 0.03 -1.21 -0.92 0.00 0.00 175.35 173.78 3dpu s GLU 890 N -0.38 3.73 0.35 1.68 2.02 -1.26 0.13 118.70 124.96 3dpu s GLU 890 Ca 0.05 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.71 3dpu s GLU 890 Cb -0.12 -3.06 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 3dpu s GLU 890 CO 0.02 0.35 -0.02 -0.06 0.02 0.00 0.00 175.26 175.57 3dpu s PHE 891 N 0.13 2.28 -0.08 1.61 0.40 0.10 -1.13 117.98 121.29 3dpu s PHE 891 Ca 0.03 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.64 3dpu s PHE 891 Cb -0.13 -1.46 0.05 0.00 0.51 0.00 0.00 43.02 41.99 3dpu s PHE 891 CO 0.01 0.37 0.16 0.42 0.70 0.00 0.00 175.22 176.88 3dpu s ILE 892 N -2.85 -0.20 0.58 0.64 1.01 -0.53 -1.95 121.20 117.89 3dpu s ILE 892 Ca 0.34 0.30 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 3dpu s ILE 892 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3dpu s ILE 892 CO 0.16 0.13 1.28 -2.16 0.00 0.00 0.00 174.94 174.34 3dpu s PRO 893 N 1.97 2.97 0.18 2.79 0.04 -1.26 -1.70 135.00 139.99 3dpu s PRO 893 Ca -0.01 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 3dpu s PRO 893 Cb -0.12 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3dpu s PRO 893 CO -0.06 -1.26 0.99 -1.17 0.04 0.00 0.00 177.00 175.54 3dpu s LEU 894 N -3.90 4.56 0.02 -3.56 2.96 0.04 -4.88 118.68 113.92 3dpu s LEU 894 Ca 0.76 1.94 -0.33 0.00 -0.22 0.00 0.00 54.13 56.28 3dpu s LEU 894 Cb -0.35 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.62 3dpu s LEU 894 CO 0.40 -0.02 1.82 -2.65 -1.32 0.00 0.00 176.35 174.57 3dpu n PRO 895 N 2.11 2.37 -0.10 0.98 -0.02 -1.26 -1.07 135.00 138.01 3dpu n PRO 895 Ca 0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3dpu n PRO 895 Cb 0.47 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3dpu n PRO 895 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dpu n GLY 896 N 4.16 1.19 2.22 -1.23 0.00 -1.26 -4.97 105.19 105.30 3dpu n GLY 896 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3dpu n GLY 896 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dpu n HIS 897 N -2.00 -0.11 -0.37 1.61 8.25 -0.23 -5.01 115.22 117.36 3dpu n HIS 897 Ca 0.00 -3.59 0.37 0.00 -0.26 0.00 0.00 57.72 54.24 3dpu n HIS 897 Cb 0.00 -0.33 0.75 0.00 1.12 0.00 0.00 29.99 31.53 3dpu n HIS 897 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3dpu h PRO 898 N 4.10 0.01 0.00 -0.41 0.11 -1.94 -0.43 132.00 133.45 3dpu h PRO 898 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3dpu h PRO 898 Cb 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3dpu h PRO 898 CO 0.48 0.01 -0.92 -0.25 -0.21 0.00 0.00 178.00 177.11 3dpu n ASP 899 N -4.17 0.71 -4.69 -2.05 8.00 -1.26 -4.72 116.55 108.37 3dpu n ASP 899 Ca 0.28 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 3dpu n ASP 899 Cb 1.33 0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 42.88 3dpu n ASP 899 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dpu s GLU 900 N -3.27 4.37 0.00 -1.24 0.41 -0.17 -5.02 118.70 113.78 3dpu s GLU 900 Ca 0.02 0.96 0.08 0.00 -0.41 0.00 0.00 54.97 55.62 3dpu s GLU 900 Cb 0.12 -3.51 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 3dpu s GLU 900 CO 0.77 -0.14 -0.25 -0.51 -0.49 0.00 0.00 175.26 174.65 3dpu s LEU 901 N 1.48 2.09 0.02 1.80 1.43 -1.26 -0.78 118.68 123.46 3dpu s LEU 901 Ca 0.38 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3dpu s LEU 901 Cb -0.17 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3dpu s LEU 901 CO 0.16 0.29 -0.18 0.54 0.23 0.00 0.00 176.35 177.39 3dpu s VAL 902 N -0.66 2.81 0.06 -1.59 0.11 -0.69 -4.94 120.40 115.50 3dpu s VAL 902 Ca 0.10 -1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 57.78 3dpu s VAL 902 Cb -0.10 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.56 3dpu s VAL 902 CO 0.00 0.41 0.98 -0.70 -3.33 0.00 0.00 175.10 172.46 3dpu s GLU 903 N -1.23 4.62 0.28 1.54 2.12 -1.26 -1.45 118.70 123.32 3dpu s GLU 903 Ca 0.14 1.45 -0.01 0.00 0.36 0.00 0.00 54.97 56.91 3dpu s GLU 903 Cb -0.10 -3.41 0.45 0.00 0.26 0.00 0.00 34.13 31.32 3dpu s GLU 903 CO 0.04 0.07 1.88 -0.92 -0.54 0.00 0.00 175.26 175.79 3dpu h TYR 904 N 6.19 1.17 -0.62 5.30 3.20 -1.45 0.37 116.97 131.13 3dpu h TYR 904 Ca -0.42 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.58 3dpu h TYR 904 Cb 1.22 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 3dpu h TYR 904 CO 0.66 0.59 0.42 0.87 -1.64 0.00 0.00 178.16 179.06 3dpu h LYS 905 N 1.13 0.44 0.15 1.82 6.56 -1.92 -2.02 116.57 122.73 3dpu h LYS 905 Ca 0.43 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 3dpu h LYS 905 Cb 0.20 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3dpu h LYS 905 CO -0.18 0.29 -0.07 0.93 -2.06 0.00 0.00 179.45 178.36 3dpu h GLU 906 N 0.46 -0.20 0.22 3.15 4.39 -1.31 -1.91 114.58 119.39 3dpu h GLU 906 Ca 0.29 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3dpu h GLU 906 Cb 0.52 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3dpu h GLU 906 CO -0.08 0.01 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.54 3dpu h LEU 907 N -0.37 -0.43 -0.64 1.33 3.38 -1.20 -0.24 115.31 117.13 3dpu h LEU 907 Ca -0.02 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3dpu h LEU 907 Cb 0.29 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3dpu h LEU 907 CO 0.03 -0.26 0.23 -0.07 0.09 0.00 0.00 178.44 178.46 3dpu h LEU 908 N -0.39 0.20 -1.80 1.67 3.38 -1.41 0.25 115.31 117.21 3dpu h LEU 908 Ca -0.01 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3dpu h LEU 908 Cb 0.35 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3dpu h LEU 908 CO -0.01 0.11 0.19 1.23 0.09 0.00 0.00 178.44 180.05 3dpu h GLY 909 N 0.39 0.30 2.00 0.83 0.00 -1.05 -0.36 103.07 105.19 3dpu h GLY 909 Ca 0.33 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 3dpu h GLY 909 CO -0.35 0.09 -0.76 1.41 0.00 0.00 0.00 176.54 176.94 3dpu h LEU 910 N 0.27 0.00 -0.13 3.11 3.38 0.12 -2.26 115.31 119.80 3dpu h LEU 910 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3dpu h LEU 910 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dpu h LEU 910 CO -0.02 0.76 -0.62 -0.08 0.09 0.00 0.00 178.44 178.57 3dpu h GLU 911 N 0.00 0.65 -0.74 1.13 4.81 0.22 0.30 114.58 120.95 3dpu h GLU 911 Ca -0.01 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3dpu h GLU 911 Cb 1.35 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.80 3dpu h GLU 911 CO 0.10 1.14 0.46 0.87 -0.73 0.00 0.00 179.01 180.85 3dpu h LYS 912 N 0.32 1.00 0.00 1.92 1.57 -1.11 -0.40 116.57 119.87 3dpu h LYS 912 Ca -0.04 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3dpu h LYS 912 Cb 1.25 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 3dpu h LYS 912 CO 0.13 0.69 -0.01 0.52 -0.57 0.00 0.00 179.45 180.21 3dpu h MET 913 N 1.02 0.00 -1.88 3.15 2.86 -1.40 -3.46 114.93 115.22 3dpu h MET 913 Ca 0.27 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.86 3dpu h MET 913 Cb -0.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.62 3dpu h MET 913 CO -0.05 0.01 -0.09 0.41 1.06 0.00 0.00 176.91 178.25 3dpu n GLY 914 N -0.48 0.64 3.31 8.32 0.00 -0.16 -5.07 105.19 111.75 3dpu n GLY 914 Ca -0.01 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 3dpu n GLY 914 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpu s ARG 915 N -4.88 2.24 0.00 1.61 0.52 0.10 -5.02 118.95 113.53 3dpu s ARG 915 Ca 0.05 -0.91 0.11 0.00 -0.52 0.00 0.00 55.73 54.47 3dpu s ARG 915 Cb -0.02 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 3dpu s ARG 915 CO 0.09 0.52 0.51 -3.47 0.02 0.00 0.00 175.30 172.98 3dpu n ASP 916 N 2.55 0.63 -4.67 0.23 2.03 -1.26 -3.97 116.55 112.08 3dpu n ASP 916 Ca -0.16 -0.82 -0.38 0.00 0.52 0.00 0.00 54.79 53.95 3dpu n ASP 916 Cb 0.51 0.94 -0.07 0.00 -0.72 0.00 0.00 41.12 41.78 3dpu n ASP 916 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dpu s ARG 917 N -2.00 4.18 -0.33 -0.67 0.52 -1.26 -0.29 118.95 119.11 3dpu s ARG 917 Ca 0.05 0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 55.38 3dpu s ARG 917 Cb 0.09 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3dpu s ARG 917 CO 0.44 -0.02 0.16 -0.47 0.02 0.00 0.00 175.30 175.43 3dpu s TYR 918 N 1.26 3.19 -0.32 -0.53 5.04 0.41 -4.85 117.35 121.55 3dpu s TYR 918 Ca 0.19 -0.72 -0.11 0.00 -2.44 0.00 0.00 57.07 53.99 3dpu s TYR 918 Cb -0.15 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 3dpu s TYR 918 CO 0.08 -0.52 0.20 0.08 -1.34 0.00 0.00 175.55 174.05 3dpu s VAL 919 N 1.58 5.05 -0.52 3.14 1.01 -1.26 -0.42 120.40 128.97 3dpu s VAL 919 Ca 0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3dpu s VAL 919 Cb -0.18 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.69 3dpu s VAL 919 CO 0.06 0.05 0.81 -0.55 0.00 0.00 0.00 175.10 175.47 3dpu s SER 920 N 1.69 6.30 0.02 3.32 0.15 -0.38 -4.94 113.70 119.87 3dpu s SER 920 Ca 0.06 -0.53 -0.24 0.00 0.70 0.00 0.00 55.95 55.94 3dpu s SER 920 Cb -0.17 -2.38 -0.17 0.00 -1.71 0.00 0.00 66.02 61.59 3dpu s SER 920 CO 0.09 -1.07 1.43 1.23 1.20 0.00 0.00 173.24 176.11 3dpu h GLY 921 N 10.42 0.09 2.00 9.45 0.00 -1.96 0.24 103.07 123.31 3dpu h GLY 921 Ca -0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3dpu h GLY 921 CO 1.03 0.06 -0.29 0.07 0.00 0.00 0.00 176.54 177.41 3dpu h LYS 922 N -0.24 0.00 0.00 4.80 2.10 -1.97 -2.52 116.57 118.75 3dpu h LYS 922 Ca 0.01 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.49 3dpu h LYS 922 Cb 0.36 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 3dpu h LYS 922 CO 0.00 0.29 -1.24 -0.07 -2.00 0.00 0.00 179.45 176.44 3dpu h LEU 923 N 0.00 0.00 -1.04 7.07 4.07 -1.98 -3.48 115.31 119.94 3dpu h LEU 923 Ca -0.00 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.61 3dpu h LEU 923 Cb 0.74 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.61 3dpu h LEU 923 CO 0.04 0.65 -0.64 -0.62 -1.08 0.00 0.00 178.44 176.79 3dpu n GLU 924 N -3.01 -7.03 -4.28 1.13 1.02 0.80 -5.05 120.64 104.23 3dpu n GLU 924 Ca -0.08 0.76 -0.18 0.00 -0.02 0.00 0.00 57.16 57.65 3dpu n GLU 924 Cb 0.86 -5.59 -0.14 0.00 -0.02 0.00 0.00 31.44 26.55 3dpu n GLU 924 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dpu s LYS 925 N -5.99 0.72 0.19 3.49 1.02 -1.03 -5.02 119.74 113.11 3dpu s LYS 925 Ca 0.42 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.91 3dpu s LYS 925 Cb -0.18 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 3dpu s LYS 925 CO 0.67 0.17 0.24 0.14 -0.92 0.00 0.00 175.35 175.65 3dpu s VAL 926 N -0.66 4.94 0.04 3.17 -7.23 -1.26 -1.25 120.40 118.16 3dpu s VAL 926 Ca -0.00 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3dpu s VAL 926 Cb -0.06 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 3dpu s VAL 926 CO 0.00 -0.18 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.18 3dpu s PHE 927 N -1.85 0.66 -0.28 2.82 0.40 0.44 -4.96 117.98 115.21 3dpu s PHE 927 Ca 0.33 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 3dpu s PHE 927 Cb -0.10 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.04 3dpu s PHE 927 CO 0.27 -0.08 1.15 0.45 0.70 0.00 0.00 175.22 177.70 3dpu s SER 928 N -1.56 6.90 0.07 1.36 0.15 -1.26 -0.44 113.70 118.92 3dpu s SER 928 Ca -0.10 1.23 -0.26 0.00 0.70 0.00 0.00 55.95 57.52 3dpu s SER 928 Cb -0.10 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.55 3dpu s SER 928 CO 0.00 -0.87 1.41 0.58 1.20 0.00 0.00 173.24 175.56 3dpu h VAL 929 N 5.70 0.00 -0.43 4.45 2.07 -0.98 -2.88 116.25 124.18 3dpu h VAL 929 Ca -0.22 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3dpu h VAL 929 Cb 1.07 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3dpu h VAL 929 CO 1.02 0.00 0.14 0.77 0.02 0.00 0.00 177.57 179.52 3dpu h SER 930 N -0.70 0.14 -0.62 0.57 4.64 -1.90 -1.07 113.55 114.60 3dpu h SER 930 Ca -0.04 0.05 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3dpu h SER 930 Cb 0.63 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.69 3dpu h SER 930 CO -0.09 0.11 0.27 0.11 -0.87 0.00 0.00 176.83 176.36 3dpu h LYS 931 N 0.31 0.46 0.00 4.77 1.57 -1.93 0.42 116.57 122.16 3dpu h LYS 931 Ca 0.21 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3dpu h LYS 931 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dpu h LYS 931 CO -0.22 0.30 -0.09 0.00 -0.57 0.00 0.00 179.45 178.88 3dpu h MET 932 N 0.47 0.00 0.14 3.15 3.00 -1.26 -3.22 114.93 117.21 3dpu h MET 932 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 59.70 59.71 3dpu h MET 932 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 31.60 31.97 3dpu h MET 932 CO -0.28 0.09 -1.27 1.25 0.00 0.00 0.00 176.91 176.70 3dpu h LEU 933 N 0.00 0.79 0.00 -0.10 5.85 0.19 -3.17 115.31 118.87 3dpu h LEU 933 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 3dpu h LEU 933 Cb 1.02 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3dpu h LEU 933 CO 0.01 1.57 0.00 0.47 -0.34 0.00 0.00 178.44 180.15 3dpu n ASP 934 N -3.74 0.00 0.18 1.25 8.00 0.13 -1.21 116.55 121.16 3dpu n ASP 934 Ca -0.13 -0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.41 3dpu n ASP 934 Cb 1.01 -0.27 0.25 0.00 -0.02 0.00 0.00 41.12 42.09 3dpu n ASP 934 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3dpu h SER 935 N 0.00 0.00 0.00 -2.24 4.64 -1.56 -3.39 113.55 111.01 3dpu h SER 935 Ca 0.00 -0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 3dpu h SER 935 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 3dpu h SER 935 CO 0.00 0.00 -2.23 0.52 -0.87 0.00 0.00 176.83 174.25 3dpu n VAL 936 N -2.78 1.33 0.00 0.95 0.31 -0.35 -4.63 118.33 113.15 3dpu n VAL 936 Ca 0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3dpu n VAL 936 Cb 0.49 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3dpu n VAL 936 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3dpu n ILE 937 N -4.09 0.00 0.00 2.52 5.41 -0.88 -4.81 119.36 117.50 3dpu n ILE 937 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.30 3dpu n ILE 937 Cb 0.81 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.74 3dpu n ILE 937 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01