#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mp8 n TYR 415 N 0.00 0.61 -2.34 -0.67 4.01 -1.26 -4.91 117.16 112.60 1mp8 n TYR 415 Ca 0.00 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.01 1mp8 n TYR 415 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1mp8 n TYR 415 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1mp8 s GLU 416 N -1.39 4.33 -0.08 -0.72 2.56 -1.26 -0.42 118.70 121.72 1mp8 s GLU 416 Ca 0.36 1.83 -0.00 0.00 0.00 0.00 0.00 54.97 57.15 1mp8 s GLU 416 Cb 0.19 -3.53 -0.03 0.00 2.00 0.00 0.00 34.13 32.76 1mp8 s GLU 416 CO 0.26 -0.49 -0.04 0.42 -0.56 0.00 0.00 175.26 174.84 1mp8 s ILE 417 N 2.15 3.91 0.01 -3.70 1.01 -0.13 -4.87 121.20 119.58 1mp8 s ILE 417 Ca 0.60 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1mp8 s ILE 417 Cb -0.29 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1mp8 s ILE 417 CO 0.25 0.59 1.35 -1.10 0.00 0.00 0.00 174.94 176.03 1mp8 s GLN 418 N -0.74 4.31 0.44 2.79 -0.21 -1.26 -4.66 119.66 120.33 1mp8 s GLN 418 Ca 0.11 1.91 0.10 0.00 0.02 0.00 0.00 55.36 57.50 1mp8 s GLN 418 Cb -0.11 -3.52 0.97 0.00 1.00 0.00 0.00 33.01 31.35 1mp8 s GLN 418 CO 0.02 -0.51 2.07 -0.09 -2.12 0.00 0.00 175.29 174.65 1mp8 h ARG 419 N 7.58 0.34 0.00 2.91 2.43 -1.96 -0.30 114.38 125.37 1mp8 h ARG 419 Ca -0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1mp8 h ARG 419 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1mp8 h ARG 419 CO 0.89 0.25 0.00 0.39 -1.51 0.00 0.00 179.97 179.99 1mp8 n GLU 420 N -4.47 0.05 0.00 0.20 4.71 -1.26 -1.46 120.64 118.41 1mp8 n GLU 420 Ca 0.01 0.46 0.14 0.00 -0.01 0.00 0.00 57.16 57.75 1mp8 n GLU 420 Cb 0.10 -1.62 0.47 0.00 -1.01 0.00 0.00 31.44 29.38 1mp8 n GLU 420 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1mp8 n ARG 421 N -1.72 1.51 -4.50 3.49 1.74 -0.12 -4.85 116.66 112.22 1mp8 n ARG 421 Ca 0.01 -0.90 -0.33 0.00 -0.77 0.00 0.00 57.85 55.85 1mp8 n ARG 421 Cb 0.07 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.89 1mp8 n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1mp8 s ILE 422 N -2.11 3.20 -0.27 0.55 -1.09 -0.53 -0.38 121.20 120.57 1mp8 s ILE 422 Ca 0.35 -0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1mp8 s ILE 422 Cb 0.21 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1mp8 s ILE 422 CO 0.37 0.50 0.08 -0.70 -1.23 0.00 0.00 174.94 173.96 1mp8 s GLU 423 N 0.65 3.43 -0.08 2.79 2.12 0.99 -4.94 118.70 123.66 1mp8 s GLU 423 Ca -0.06 -0.63 -0.28 0.00 0.36 0.00 0.00 54.97 54.36 1mp8 s GLU 423 Cb -0.15 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1mp8 s GLU 423 CO 0.03 -0.29 0.94 -1.17 -0.54 0.00 0.00 175.26 174.22 1mp8 s LEU 424 N 1.57 4.28 0.00 2.70 2.96 -1.26 -1.26 118.68 127.67 1mp8 s LEU 424 Ca 0.05 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1mp8 s LEU 424 Cb -0.16 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1mp8 s LEU 424 CO 0.03 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1mp8 n GLY 425 N 3.08 2.95 3.81 7.98 0.00 0.78 -4.96 105.19 118.83 1mp8 n GLY 425 Ca 0.06 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1mp8 n GLY 425 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mp8 s ARG 426 N 3.42 2.85 0.21 1.61 1.70 -1.25 -4.56 118.95 122.93 1mp8 s ARG 426 Ca 0.00 1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 55.96 1mp8 s ARG 426 Cb 0.00 -1.98 -0.09 0.00 -0.57 0.00 0.00 34.95 32.31 1mp8 s ARG 426 CO 0.00 -1.17 1.34 0.00 -1.08 0.00 0.00 175.30 174.39 1mp8 n ILE 428 N 2.60 0.20 0.00 0.00 -5.35 0.75 -4.85 119.36 112.71 1mp8 n ILE 428 Ca 0.06 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1mp8 n ILE 428 Cb 0.42 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1mp8 n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mp8 n GLY 429 N -0.10 -0.52 2.74 3.28 0.00 -1.10 -4.98 105.19 104.52 1mp8 n GLY 429 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1mp8 n GLY 429 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mp8 s GLU 430 N -2.00 0.03 0.27 1.61 2.12 -1.26 -0.13 118.70 119.35 1mp8 s GLU 430 Ca 0.00 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.57 1mp8 s GLU 430 Cb 0.00 -0.41 0.01 0.00 0.26 0.00 0.00 34.13 33.99 1mp8 s GLU 430 CO 0.00 -0.22 0.11 0.41 -0.54 0.00 0.00 175.26 175.01 1mp8 n GLY 431 N 4.60 3.36 0.31 -1.50 0.00 -0.21 -4.95 105.19 106.81 1mp8 n GLY 431 Ca -0.18 -2.26 0.09 0.00 0.00 0.00 0.00 46.02 43.66 1mp8 n GLY 431 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1mp8 h GLN 432 N 0.00 0.54 0.00 1.61 4.15 -2.00 -3.09 115.11 116.32 1mp8 h GLN 432 Ca -0.20 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1mp8 h GLN 432 Cb 0.66 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1mp8 h GLN 432 CO 0.32 0.36 -1.36 1.19 -1.93 0.00 0.00 178.83 177.41 1mp8 n PHE 433 N -4.92 0.00 0.00 3.99 3.01 -1.26 -5.04 117.46 113.24 1mp8 n PHE 433 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1mp8 n PHE 433 Cb 0.49 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1mp8 n PHE 433 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mp8 n GLY 434 N 1.41 -0.73 3.75 1.37 0.00 -1.17 -0.03 105.19 109.79 1mp8 n GLY 434 Ca 0.01 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1mp8 n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mp8 s ASP 435 N 0.00 4.81 -0.07 1.61 -0.00 -1.26 -1.04 116.67 120.72 1mp8 s ASP 435 Ca 0.00 2.26 0.03 0.00 -0.00 0.00 0.00 52.55 54.84 1mp8 s ASP 435 Cb 0.00 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.32 1mp8 s ASP 435 CO 0.00 -1.84 -0.16 -0.69 -0.00 0.00 0.00 175.17 172.48 1mp8 s VAL 436 N -1.96 2.92 0.25 -1.27 1.01 0.82 -1.45 120.40 120.72 1mp8 s VAL 436 Ca 0.73 -0.76 0.12 0.00 0.00 0.00 0.00 61.98 62.07 1mp8 s VAL 436 Cb -0.27 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1mp8 s VAL 436 CO 0.40 0.57 -0.21 -1.00 0.00 0.00 0.00 175.10 174.86 1mp8 s HIS 437 N -0.38 2.31 0.53 5.22 3.76 0.57 -0.17 115.29 127.12 1mp8 s HIS 437 Ca 0.04 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1mp8 s HIS 437 Cb -0.12 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.54 1mp8 s HIS 437 CO 0.02 0.65 0.76 1.14 -0.85 0.00 0.00 174.74 176.46 1mp8 s GLN 438 N -3.25 2.77 0.00 1.40 -2.07 -0.32 0.16 119.66 118.35 1mp8 s GLN 438 Ca 0.27 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 1mp8 s GLN 438 Cb -0.06 -2.47 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 1mp8 s GLN 438 CO 0.14 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 173.94 1mp8 n GLY 439 N -2.31 1.00 2.95 2.60 0.00 -0.17 -0.15 105.19 109.11 1mp8 n GLY 439 Ca 0.05 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 1mp8 n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mp8 s ILE 440 N -2.32 0.63 -0.21 -0.61 1.01 -0.39 -1.27 121.20 118.04 1mp8 s ILE 440 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1mp8 s ILE 440 Cb 0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1mp8 s ILE 440 CO 0.00 0.22 -0.05 -0.47 0.00 0.00 0.00 174.94 174.64 1mp8 s TYR 441 N 0.43 2.95 -0.32 3.97 5.04 0.01 -0.01 117.35 129.42 1mp8 s TYR 441 Ca -0.06 -0.88 -0.10 0.00 -2.44 0.00 0.00 57.07 53.59 1mp8 s TYR 441 Cb -0.10 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1mp8 s TYR 441 CO 0.00 -0.50 0.16 -1.64 -1.34 0.00 0.00 175.55 172.23 1mp8 s MET 442 N 1.37 3.19 0.41 4.97 -1.94 0.48 -1.21 119.30 126.58 1mp8 s MET 442 Ca 0.04 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 1mp8 s MET 442 Cb -0.14 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.09 1mp8 s MET 442 CO -0.02 -0.49 0.13 -1.54 -0.01 0.00 0.00 175.02 173.09 1mp8 s SER 443 N 1.59 2.85 0.00 3.03 1.04 -1.26 -4.76 113.70 116.19 1mp8 s SER 443 Ca 0.04 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.78 1mp8 s SER 443 Cb -0.18 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1mp8 s SER 443 CO 0.06 -0.94 0.12 -2.65 0.98 0.00 0.00 173.24 170.81 1mp8 n PRO 444 N -0.93 0.00 0.00 4.02 -0.02 -1.26 -4.81 135.00 132.00 1mp8 n PRO 444 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1mp8 n PRO 444 Cb 0.65 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1mp8 n PRO 444 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mp8 n PRO 447 N 1.86 0.00 -0.33 0.52 -0.05 -1.26 -5.26 135.00 130.48 1mp8 n PRO 447 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1mp8 n PRO 447 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1mp8 n PRO 447 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1mp8 n ALA 448 N -3.00 -0.63 -4.07 0.55 0.00 -1.24 -4.87 120.51 107.24 1mp8 n ALA 448 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1mp8 n ALA 448 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1mp8 n ALA 448 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mp8 s LEU 449 N 0.00 2.30 0.19 0.00 2.96 -0.35 -4.92 118.68 118.85 1mp8 s LEU 449 Ca 0.00 -0.70 -0.32 0.00 -0.22 0.00 0.00 54.13 52.90 1mp8 s LEU 449 Cb 0.00 -1.50 -0.11 0.00 0.50 0.00 0.00 46.19 45.07 1mp8 s LEU 449 CO 0.00 -0.02 1.71 0.00 -1.32 0.00 0.00 176.35 176.73 1mp8 s ALA 450 N 1.29 3.89 0.18 5.97 0.00 -1.26 -0.81 121.76 131.01 1mp8 s ALA 450 Ca 0.04 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 1mp8 s ALA 450 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1mp8 s ALA 450 CO -0.12 -0.95 0.15 0.14 0.00 0.00 0.00 175.76 174.98 1mp8 s VAL 451 N 1.43 0.03 -0.05 0.00 -7.23 -0.39 -3.70 120.40 110.49 1mp8 s VAL 451 Ca 0.75 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1mp8 s VAL 451 Cb -0.48 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1mp8 s VAL 451 CO 0.32 -0.15 -0.08 0.00 -0.31 0.00 0.00 175.10 174.89 1mp8 s ALA 452 N -4.11 2.96 -0.24 1.32 0.00 0.57 -1.00 121.76 121.27 1mp8 s ALA 452 Ca 0.32 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1mp8 s ALA 452 Cb 0.06 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1mp8 s ALA 452 CO 0.08 0.58 -0.13 0.42 0.00 0.00 0.00 175.76 176.71 1mp8 s ILE 453 N -0.84 2.14 -0.15 0.00 1.01 0.12 -0.36 121.20 123.13 1mp8 s ILE 453 Ca 0.13 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.15 1mp8 s ILE 453 Cb -0.11 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1mp8 s ILE 453 CO 0.03 0.13 0.53 -0.54 0.00 0.00 0.00 174.94 175.09 1mp8 s LYS 454 N 1.15 4.28 0.36 2.79 1.02 0.25 -0.31 119.74 129.28 1mp8 s LYS 454 Ca -0.05 0.50 0.08 0.00 0.02 0.00 0.00 55.97 56.52 1mp8 s LYS 454 Cb -0.18 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1mp8 s LYS 454 CO -0.07 -0.01 0.25 0.95 -0.92 0.00 0.00 175.35 175.55 1mp8 s THR 455 N 1.15 3.09 -0.23 2.17 -4.23 -0.53 -1.30 115.64 115.76 1mp8 s THR 455 Ca 0.27 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1mp8 s THR 455 Cb -0.16 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1mp8 s THR 455 CO 0.11 -0.13 0.08 0.00 -0.54 0.00 0.00 174.62 174.13 1mp8 h LYS 457 N 8.29 0.94 -0.21 0.00 1.57 -0.82 -3.14 116.57 123.20 1mp8 h LYS 457 Ca -0.16 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1mp8 h LYS 457 Cb 1.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1mp8 h LYS 457 CO 0.37 0.62 -0.02 0.09 -0.57 0.00 0.00 179.45 179.93 1mp8 n ASN 458 N -4.59 3.24 0.00 0.86 3.02 -1.26 -4.66 115.26 111.86 1mp8 n ASN 458 Ca 0.18 -3.19 0.04 0.00 -0.03 0.00 0.00 54.58 51.58 1mp8 n ASN 458 Cb 0.35 -0.53 0.24 0.00 -0.61 0.00 0.00 39.78 39.22 1mp8 n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mp8 h THR 460 N 0.00 0.11 -3.21 0.00 1.03 -1.86 -3.41 112.91 105.57 1mp8 h THR 460 Ca 0.00 -0.56 -0.60 0.00 -0.01 0.00 0.00 66.41 65.24 1mp8 h THR 460 Cb 0.00 1.50 -0.10 0.00 -1.07 0.00 0.00 68.15 68.48 1mp8 h THR 460 CO 0.00 0.04 -0.35 -0.44 -0.01 0.00 0.00 175.52 174.76 1mp8 s SER 461 N -5.75 6.44 0.43 0.00 0.01 -0.70 -4.99 113.70 109.14 1mp8 s SER 461 Ca 0.00 0.51 0.15 0.00 1.31 0.00 0.00 55.95 57.92 1mp8 s SER 461 Cb 0.10 -2.17 0.94 0.00 0.21 0.00 0.00 66.02 65.10 1mp8 s SER 461 CO 0.55 0.15 1.94 -0.78 0.41 0.00 0.00 173.24 175.51 1mp8 h ASP 462 N 6.37 0.00 -0.14 2.44 3.58 -1.87 -1.19 116.42 125.61 1mp8 h ASP 462 Ca -0.43 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.93 1mp8 h ASP 462 Cb 1.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1mp8 h ASP 462 CO 0.73 0.24 -0.18 0.77 -2.88 0.00 0.00 179.24 177.92 1mp8 h SER 463 N 0.00 0.53 -0.01 2.28 4.64 -1.94 -0.57 113.55 118.49 1mp8 h SER 463 Ca -0.00 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 1mp8 h SER 463 Cb 0.43 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1mp8 h SER 463 CO 0.03 0.73 -0.12 0.58 -0.87 0.00 0.00 176.83 177.18 1mp8 h VAL 464 N 0.49 1.54 -0.73 0.95 2.07 -1.76 -3.23 116.25 115.58 1mp8 h VAL 464 Ca 0.08 -1.75 0.16 0.00 0.82 0.00 0.00 66.70 66.01 1mp8 h VAL 464 Cb 0.59 2.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.90 1mp8 h VAL 464 CO 0.04 0.47 0.14 -0.09 0.02 0.00 0.00 177.57 178.15 1mp8 h ARG 465 N -0.56 0.22 -0.65 1.57 2.43 -0.99 0.16 114.38 116.56 1mp8 h ARG 465 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1mp8 h ARG 465 Cb 0.83 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1mp8 h ARG 465 CO 0.02 0.15 0.42 1.49 -1.51 0.00 0.00 179.97 180.54 1mp8 h GLU 466 N 0.23 0.86 -0.21 0.20 4.81 -1.20 -0.27 114.58 119.00 1mp8 h GLU 466 Ca 0.41 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1mp8 h GLU 466 Cb 0.71 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1mp8 h GLU 466 CO -0.54 0.59 -0.19 0.87 -0.73 0.00 0.00 179.01 179.02 1mp8 h LYS 467 N 0.88 0.50 0.02 1.92 1.57 -1.31 -2.44 116.57 117.72 1mp8 h LYS 467 Ca 0.24 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1mp8 h LYS 467 Cb -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1mp8 h LYS 467 CO -0.05 0.83 -0.14 0.35 -0.57 0.00 0.00 179.45 179.87 1mp8 h PHE 468 N 0.19 -0.35 0.00 -1.35 3.57 -0.52 -2.32 116.94 116.16 1mp8 h PHE 468 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1mp8 h PHE 468 Cb 0.72 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1mp8 h PHE 468 CO 0.08 -0.21 0.00 1.28 -2.23 0.00 0.00 178.31 177.23 1mp8 n LEU 469 N -5.27 0.66 0.15 0.59 4.77 -0.13 -1.47 117.00 116.30 1mp8 n LEU 469 Ca -0.06 0.68 0.04 0.00 -0.03 0.00 0.00 56.01 56.64 1mp8 n LEU 469 Cb 0.19 -0.61 0.45 0.00 -2.33 0.00 0.00 43.42 41.11 1mp8 n LEU 469 CO 0.27 -0.62 0.94 -0.61 -1.33 0.00 0.00 177.39 176.04 1mp8 h GLN 470 N 0.00 0.19 -0.72 3.23 5.75 -0.90 -1.52 115.11 121.14 1mp8 h GLN 470 Ca 0.00 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1mp8 h GLN 470 Cb 0.32 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 1mp8 h GLN 470 CO 0.00 0.29 0.41 0.93 -2.65 0.00 0.00 178.83 177.81 1mp8 h GLU 471 N 0.18 0.74 -0.38 1.69 5.08 -1.31 -0.50 114.58 120.08 1mp8 h GLU 471 Ca 0.04 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1mp8 h GLU 471 Cb 0.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1mp8 h GLU 471 CO 0.01 0.49 -0.07 0.00 -1.00 0.00 0.00 179.01 178.44 1mp8 h ALA 472 N 1.36 0.53 -0.97 3.43 0.00 -1.45 -1.25 119.26 120.91 1mp8 h ALA 472 Ca 0.32 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1mp8 h ALA 472 Cb 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1mp8 h ALA 472 CO -0.18 0.37 0.64 1.25 0.00 0.00 0.00 179.25 181.33 1mp8 h LEU 473 N 0.54 1.09 -0.25 0.00 5.85 -0.89 -1.50 115.31 120.15 1mp8 h LEU 473 Ca 0.10 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1mp8 h LEU 473 Cb 0.58 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1mp8 h LEU 473 CO 0.03 0.78 0.07 0.74 -0.34 0.00 0.00 178.44 179.72 1mp8 h THR 474 N 1.28 1.21 0.00 1.05 2.02 -0.92 -3.24 112.91 114.32 1mp8 h THR 474 Ca 0.36 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1mp8 h THR 474 Cb -0.10 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1mp8 h THR 474 CO -0.09 0.22 -0.39 0.24 0.37 0.00 0.00 175.52 175.87 1mp8 h MET 475 N 0.24 0.00 -0.22 6.66 2.86 -0.87 -2.62 114.93 120.98 1mp8 h MET 475 Ca 0.08 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1mp8 h MET 475 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1mp8 h MET 475 CO -0.00 0.39 0.18 -0.09 1.06 0.00 0.00 176.91 178.45 1mp8 h ARG 476 N 0.00 0.00 0.00 1.72 2.43 -1.30 -2.01 114.38 115.22 1mp8 h ARG 476 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mp8 h ARG 476 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1mp8 h ARG 476 CO 0.05 0.00 0.00 1.96 -1.51 0.00 0.00 179.97 180.47 1mp8 h GLN 477 N 0.00 0.00 -6.48 0.20 4.20 -1.57 -3.45 115.11 108.01 1mp8 h GLN 477 Ca 0.10 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.14 1mp8 h GLN 477 Cb 0.46 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.06 1mp8 h GLN 477 CO -0.00 0.00 -0.75 -0.06 -0.67 0.00 0.00 178.83 177.35 1mp8 s PHE 478 N -3.38 2.73 -0.32 2.96 0.40 -0.76 -5.08 117.98 114.54 1mp8 s PHE 478 Ca 0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1mp8 s PHE 478 Cb 0.09 -1.50 0.14 0.00 0.51 0.00 0.00 43.02 42.27 1mp8 s PHE 478 CO 0.45 0.36 0.30 0.34 0.70 0.00 0.00 175.22 177.37 1mp8 s ASP 479 N -1.74 1.78 -0.06 1.36 2.15 -1.26 -4.90 116.67 113.99 1mp8 s ASP 479 Ca 0.18 -1.13 -0.11 0.00 0.43 0.00 0.00 52.55 51.92 1mp8 s ASP 479 Cb -0.11 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 42.92 1mp8 s ASP 479 CO 0.09 -0.35 0.27 -2.28 -0.17 0.00 0.00 175.17 172.73 1mp8 s HIS 480 N 1.99 -0.22 0.58 -5.34 2.46 -1.26 -5.04 115.29 108.47 1mp8 s HIS 480 Ca 0.12 0.47 0.40 0.00 0.47 0.00 0.00 55.06 56.52 1mp8 s HIS 480 Cb -0.15 0.08 2.18 0.00 -0.13 0.00 0.00 32.58 34.56 1mp8 s HIS 480 CO -0.23 -0.24 2.30 -1.35 -2.47 0.00 0.00 174.74 172.75 1mp8 h PRO 481 N 4.92 0.00 -0.38 2.88 0.11 -1.99 -2.14 132.00 135.40 1mp8 h PRO 481 Ca -0.28 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 1mp8 h PRO 481 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1mp8 h PRO 481 CO 0.36 0.01 -0.01 0.72 -0.21 0.00 0.00 178.00 178.86 1mp8 n HIS 482 N -3.23 1.20 -4.37 0.65 8.25 -1.26 -4.89 115.22 111.56 1mp8 n HIS 482 Ca -0.03 -1.49 -0.23 0.00 -0.26 0.00 0.00 57.72 55.72 1mp8 n HIS 482 Cb 0.11 -0.49 -0.16 0.00 1.12 0.00 0.00 29.99 30.56 1mp8 n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mp8 s ILE 483 N -3.18 0.86 0.17 1.59 1.01 -0.81 -0.51 121.20 120.33 1mp8 s ILE 483 Ca 0.45 -0.31 -0.33 0.00 0.00 0.00 0.00 60.65 60.46 1mp8 s ILE 483 Cb 0.40 -0.82 -0.14 0.00 0.01 0.00 0.00 42.46 41.91 1mp8 s ILE 483 CO 0.02 0.30 1.53 0.55 0.00 0.00 0.00 174.94 177.34 1mp8 n VAL 484 N 3.96 0.19 -3.37 2.92 3.14 -0.39 -4.57 118.33 120.21 1mp8 n VAL 484 Ca -0.23 -0.05 -0.38 0.00 -2.96 0.00 0.00 64.34 60.72 1mp8 n VAL 484 Cb 0.51 -1.49 -0.06 0.00 -1.06 0.00 0.00 33.84 31.74 1mp8 n VAL 484 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1mp8 s LYS 485 N 0.62 4.06 0.12 1.45 2.47 -1.26 -4.96 119.74 122.24 1mp8 s LYS 485 Ca 0.77 0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 55.45 1mp8 s LYS 485 Cb -0.68 -3.18 -0.06 0.00 -1.46 0.00 0.00 37.83 32.44 1mp8 s LYS 485 CO 0.41 0.63 0.99 -1.17 0.16 0.00 0.00 175.35 176.37 1mp8 s LEU 486 N -1.25 4.50 -0.24 5.43 2.96 -1.26 -1.04 118.68 127.77 1mp8 s LEU 486 Ca 0.29 1.85 -0.00 0.00 -0.22 0.00 0.00 54.13 56.04 1mp8 s LEU 486 Cb -0.18 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.77 1mp8 s LEU 486 CO 0.17 -0.10 -0.23 -0.38 -1.32 0.00 0.00 176.35 174.49 1mp8 n ILE 487 N 2.73 1.39 -3.57 6.68 5.41 0.96 -4.88 119.36 128.08 1mp8 n ILE 487 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1mp8 n ILE 487 Cb 0.49 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1mp8 n ILE 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mp8 n GLY 488 N 2.20 -1.24 3.13 7.39 0.00 -0.69 -4.91 105.19 111.07 1mp8 n GLY 488 Ca -0.44 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1mp8 n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mp8 s VAL 489 N -3.00 0.17 -0.20 1.61 -7.23 0.44 -0.01 120.40 112.18 1mp8 s VAL 489 Ca 0.00 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1mp8 s VAL 489 Cb 0.00 -1.69 0.05 0.00 0.56 0.00 0.00 36.38 35.30 1mp8 s VAL 489 CO 0.00 -0.76 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.36 1mp8 s ILE 490 N -3.96 1.26 -2.16 -0.62 1.01 0.05 -0.95 121.20 115.82 1mp8 s ILE 490 Ca 0.13 -0.90 0.21 0.00 0.00 0.00 0.00 60.65 60.08 1mp8 s ILE 490 Cb 0.07 -1.51 0.51 0.00 0.01 0.00 0.00 42.46 41.54 1mp8 s ILE 490 CO -0.06 -0.01 1.45 0.35 0.00 0.00 0.00 174.94 176.68 1mp8 n THR 491 N 4.79 0.68 -4.07 2.92 -2.24 -1.26 -1.69 114.28 113.41 1mp8 n THR 491 Ca -0.12 -0.76 -0.29 0.00 -2.27 0.00 0.00 64.05 60.61 1mp8 n THR 491 Cb 0.46 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1mp8 n THR 491 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1mp8 s GLU 492 N -1.32 2.84 0.33 -0.78 -1.05 -1.26 -4.86 118.70 112.60 1mp8 s GLU 492 Ca 0.40 -0.76 -0.29 0.00 -0.15 0.00 0.00 54.97 54.17 1mp8 s GLU 492 Cb 0.22 -2.68 -0.11 0.00 -0.44 0.00 0.00 34.13 31.11 1mp8 s GLU 492 CO 0.29 0.54 1.54 0.09 0.95 0.00 0.00 175.26 178.67 1mp8 n ASN 493 N 0.26 3.76 -4.70 0.83 5.03 -1.26 -2.74 115.26 116.44 1mp8 n ASN 493 Ca -0.09 1.18 -0.42 0.00 0.87 0.00 0.00 54.58 56.12 1mp8 n ASN 493 Cb 0.52 -1.60 -0.03 0.00 -1.02 0.00 0.00 39.78 37.66 1mp8 n ASN 493 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1mp8 s PRO 494 N -1.16 4.46 0.12 3.52 0.04 -1.26 -5.11 135.00 135.61 1mp8 s PRO 494 Ca 0.60 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 1mp8 s PRO 494 Cb -0.50 -3.47 -0.09 0.00 0.04 0.00 0.00 34.50 30.48 1mp8 s PRO 494 CO 0.55 -0.23 1.52 0.08 0.04 0.00 0.00 177.00 178.96 1mp8 s VAL 495 N 1.49 2.98 0.06 -0.36 1.01 -1.11 -4.89 120.40 119.58 1mp8 s VAL 495 Ca 0.53 0.64 0.06 0.00 0.00 0.00 0.00 61.98 63.22 1mp8 s VAL 495 Cb -0.23 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1mp8 s VAL 495 CO 0.25 0.04 -0.17 0.26 0.00 0.00 0.00 175.10 175.47 1mp8 s TRP 496 N 1.53 1.48 -0.13 5.22 0.51 -0.68 -3.58 118.94 123.29 1mp8 s TRP 496 Ca 0.69 -0.39 -0.01 0.00 -2.12 0.00 0.00 56.10 54.27 1mp8 s TRP 496 Cb -0.40 -0.86 -0.02 0.00 -0.81 0.00 0.00 33.47 31.38 1mp8 s TRP 496 CO 0.31 0.09 -0.10 0.42 -0.51 0.00 0.00 176.95 177.16 1mp8 s ILE 497 N -0.97 3.36 -0.25 2.03 1.01 -0.42 -0.77 121.20 125.18 1mp8 s ILE 497 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1mp8 s ILE 497 Cb -0.09 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1mp8 s ILE 497 CO 0.02 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.94 1mp8 s ILE 498 N 0.25 4.52 0.30 2.92 -1.09 0.98 -0.59 121.20 128.50 1mp8 s ILE 498 Ca -0.07 -0.10 0.10 0.00 -2.23 0.00 0.00 60.65 58.35 1mp8 s ILE 498 Cb -0.15 -3.12 -0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1mp8 s ILE 498 CO 0.04 0.33 -0.13 -0.04 -1.23 0.00 0.00 174.94 173.92 1mp8 s MET 499 N 1.54 1.68 0.40 2.79 -1.94 0.51 -0.03 119.30 124.25 1mp8 s MET 499 Ca 0.06 -1.82 -0.27 0.00 -1.71 0.00 0.00 55.69 51.95 1mp8 s MET 499 Cb -0.15 -1.58 -0.10 0.00 2.01 0.00 0.00 34.83 35.01 1mp8 s MET 499 CO 0.05 0.19 1.41 -1.83 -0.01 0.00 0.00 175.02 174.83 1mp8 s GLU 500 N -3.60 3.97 0.03 2.03 -1.05 -0.21 -0.31 118.70 119.56 1mp8 s GLU 500 Ca 0.30 2.39 -0.25 0.00 -0.15 0.00 0.00 54.97 57.27 1mp8 s GLU 500 Cb -0.00 -2.83 -0.05 0.00 -0.44 0.00 0.00 34.13 30.80 1mp8 s GLU 500 CO 0.14 -0.57 0.75 -1.17 0.95 0.00 0.00 175.26 175.36 1mp8 s LEU 501 N -2.33 4.43 -0.67 1.83 2.96 -1.24 -4.31 118.68 119.34 1mp8 s LEU 501 Ca 0.56 1.41 -0.09 0.00 -0.22 0.00 0.00 54.13 55.79 1mp8 s LEU 501 Cb -0.43 -3.20 0.18 0.00 0.50 0.00 0.00 46.19 43.23 1mp8 s LEU 501 CO 0.57 0.00 0.55 0.00 -1.32 0.00 0.00 176.35 176.15 1mp8 h THR 503 N 5.25 1.06 -0.00 0.00 1.35 -1.69 -1.49 112.91 117.38 1mp8 h THR 503 Ca -0.01 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1mp8 h THR 503 Cb 1.01 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1mp8 h THR 503 CO 0.76 0.06 -0.04 0.18 -0.25 0.00 0.00 175.52 176.23 1mp8 n LEU 504 N -4.50 0.48 0.00 3.87 4.77 -0.20 -5.00 117.00 116.43 1mp8 n LEU 504 Ca -0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1mp8 n LEU 504 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1mp8 n LEU 504 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1mp8 n GLY 505 N 1.16 -1.10 3.73 -0.72 0.00 -0.56 -4.74 105.19 102.96 1mp8 n GLY 505 Ca 0.19 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1mp8 n GLY 505 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mp8 s GLU 506 N 0.00 4.21 0.18 1.61 2.02 -1.26 -0.02 118.70 125.44 1mp8 s GLU 506 Ca 0.00 2.38 -0.13 0.00 0.02 0.00 0.00 54.97 57.25 1mp8 s GLU 506 Cb 0.00 -3.12 0.08 0.00 0.10 0.00 0.00 34.13 31.19 1mp8 s GLU 506 CO 0.00 -0.56 1.79 1.25 0.02 0.00 0.00 175.26 177.76 1mp8 h LEU 507 N 6.03 0.72 -0.03 1.80 5.85 -1.40 -2.22 115.31 126.06 1mp8 h LEU 507 Ca -0.44 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.22 1mp8 h LEU 507 Cb 1.21 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1mp8 h LEU 507 CO 0.86 0.60 -0.16 0.03 -0.34 0.00 0.00 178.44 179.43 1mp8 h ARG 508 N 0.78 -0.24 -0.48 1.25 3.08 -1.83 0.10 114.38 117.05 1mp8 h ARG 508 Ca 0.21 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1mp8 h ARG 508 Cb 0.03 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1mp8 h ARG 508 CO -0.03 -0.16 0.16 0.77 -1.07 0.00 0.00 179.97 179.63 1mp8 h SER 509 N -0.25 0.63 -0.28 7.04 0.02 -1.91 -1.60 113.55 117.20 1mp8 h SER 509 Ca 0.06 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1mp8 h SER 509 Cb 0.33 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1mp8 h SER 509 CO -0.18 0.60 0.17 0.15 -1.14 0.00 0.00 176.83 176.43 1mp8 h PHE 510 N 0.68 0.33 -0.35 3.45 3.57 -0.66 -0.44 116.94 123.52 1mp8 h PHE 510 Ca 0.16 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1mp8 h PHE 510 Cb 0.19 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1mp8 h PHE 510 CO 0.01 0.20 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.20 1mp8 h LEU 511 N 0.36 0.52 -0.09 0.59 3.38 -0.52 -1.81 115.31 117.74 1mp8 h LEU 511 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1mp8 h LEU 511 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1mp8 h LEU 511 CO -0.04 0.60 -0.14 1.56 0.09 0.00 0.00 178.44 180.51 1mp8 h GLN 512 N 0.52 0.25 0.00 1.13 4.20 -0.77 -1.57 115.11 118.87 1mp8 h GLN 512 Ca 0.11 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1mp8 h GLN 512 Cb 0.36 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1mp8 h GLN 512 CO 0.01 0.72 -0.22 0.28 -0.67 0.00 0.00 178.83 178.95 1mp8 h VAL 513 N -0.19 0.97 -0.55 -0.54 2.07 -0.94 -2.63 116.25 114.44 1mp8 h VAL 513 Ca 0.01 -0.79 -0.25 0.00 0.82 0.00 0.00 66.70 66.48 1mp8 h VAL 513 Cb 0.69 1.45 -0.15 0.00 -1.52 0.00 0.00 31.29 31.76 1mp8 h VAL 513 CO 0.03 0.21 0.15 0.54 0.02 0.00 0.00 177.57 178.53 1mp8 n ARG 514 N -4.01 2.23 -0.30 1.57 1.74 -0.69 -4.68 116.66 112.52 1mp8 n ARG 514 Ca -0.02 -3.10 0.14 0.00 -0.77 0.00 0.00 57.85 54.10 1mp8 n ARG 514 Cb 0.29 -1.95 0.38 0.00 -1.02 0.00 0.00 32.46 30.16 1mp8 n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1mp8 h LYS 515 N 1.24 0.65 -0.24 5.56 3.64 -0.89 -1.24 116.57 125.29 1mp8 h LYS 515 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1mp8 h LYS 515 Cb 2.02 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1mp8 h LYS 515 CO 0.59 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.86 1mp8 n TYR 516 N -4.62 0.30 0.00 1.91 4.01 -1.26 -4.45 117.16 113.05 1mp8 n TYR 516 Ca 0.20 -0.21 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 1mp8 n TYR 516 Cb 0.56 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 1mp8 n TYR 516 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1mp8 n SER 517 N 1.03 4.12 -4.67 7.72 3.41 -0.73 -4.98 113.62 119.53 1mp8 n SER 517 Ca 0.14 -0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.33 1mp8 n SER 517 Cb 0.48 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.51 1mp8 n SER 517 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mp8 s LEU 518 N -3.19 4.16 0.69 1.04 1.43 -0.55 -5.04 118.68 117.23 1mp8 s LEU 518 Ca -0.01 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1mp8 s LEU 518 Cb 0.02 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1mp8 s LEU 518 CO 0.14 -0.23 1.06 1.51 0.23 0.00 0.00 176.35 179.05 1mp8 s ASP 519 N 1.14 5.46 0.34 2.29 3.84 -1.26 -4.88 116.67 123.60 1mp8 s ASP 519 Ca 0.28 1.53 0.05 0.00 -0.00 0.00 0.00 52.55 54.42 1mp8 s ASP 519 Cb -0.16 -2.43 0.71 0.00 -1.38 0.00 0.00 42.92 39.66 1mp8 s ASP 519 CO 0.11 -1.38 1.91 0.25 -0.00 0.00 0.00 175.17 176.06 1mp8 h LEU 520 N -0.68 0.73 -1.48 2.11 5.85 -1.96 -0.80 115.31 119.08 1mp8 h LEU 520 Ca -0.44 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1mp8 h LEU 520 Cb 1.21 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1mp8 h LEU 520 CO 0.58 0.44 0.36 0.00 -0.34 0.00 0.00 178.44 179.48 1mp8 h ALA 521 N 1.58 1.65 -0.24 1.25 0.00 -1.92 -0.60 119.26 120.98 1mp8 h ALA 521 Ca 0.39 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1mp8 h ALA 521 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mp8 h ALA 521 CO -0.16 0.31 -0.44 0.77 0.00 0.00 0.00 179.25 179.74 1mp8 h SER 522 N 0.71 0.80 -0.57 0.00 0.02 -1.51 0.38 113.55 113.37 1mp8 h SER 522 Ca 0.21 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1mp8 h SER 522 Cb -0.02 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1mp8 h SER 522 CO -0.05 1.19 0.35 -0.07 -1.14 0.00 0.00 176.83 177.11 1mp8 h LEU 523 N 0.45 0.68 -0.65 5.07 3.38 -1.06 -1.38 115.31 121.80 1mp8 h LEU 523 Ca 0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1mp8 h LEU 523 Cb 1.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1mp8 h LEU 523 CO 0.10 0.53 -0.03 0.40 0.09 0.00 0.00 178.44 179.53 1mp8 h ILE 524 N 0.77 1.26 -0.68 1.22 2.04 -0.95 -2.59 117.51 118.58 1mp8 h ILE 524 Ca 0.21 -1.17 0.12 0.00 1.00 0.00 0.00 64.86 65.01 1mp8 h ILE 524 Cb -0.03 0.85 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 1mp8 h ILE 524 CO -0.04 0.42 0.25 0.25 0.00 0.00 0.00 178.15 179.03 1mp8 h LEU 525 N 0.93 0.22 -0.61 1.44 5.85 -0.44 0.12 115.31 122.82 1mp8 h LEU 525 Ca 0.16 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1mp8 h LEU 525 Cb 0.58 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1mp8 h LEU 525 CO 0.03 0.10 0.38 1.88 -0.34 0.00 0.00 178.44 180.50 1mp8 h TYR 526 N 0.41 0.79 -0.69 1.25 0.05 -0.94 0.19 116.97 118.03 1mp8 h TYR 526 Ca 0.36 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1mp8 h TYR 526 Cb 0.51 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1mp8 h TYR 526 CO -0.18 0.52 0.38 0.00 -1.05 0.00 0.00 178.16 177.84 1mp8 h ALA 527 N 1.20 0.88 -0.48 3.88 0.00 -1.03 -1.50 119.26 122.21 1mp8 h ALA 527 Ca 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1mp8 h ALA 527 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1mp8 h ALA 527 CO -0.04 0.38 0.06 -0.92 0.00 0.00 0.00 179.25 178.73 1mp8 h TYR 528 N 0.94 0.87 -0.62 0.00 3.20 -0.33 -1.21 116.97 119.81 1mp8 h TYR 528 Ca 0.24 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1mp8 h TYR 528 Cb 0.02 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1mp8 h TYR 528 CO -0.01 0.81 0.37 1.96 -1.64 0.00 0.00 178.16 179.66 1mp8 h GLN 529 N 0.68 0.84 -0.87 1.82 4.20 -0.39 -1.69 115.11 119.70 1mp8 h GLN 529 Ca 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1mp8 h GLN 529 Cb 0.42 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1mp8 h GLN 529 CO 0.01 0.61 0.50 -0.07 -0.67 0.00 0.00 178.83 179.21 1mp8 h LEU 530 N 0.84 1.06 -1.43 1.46 3.38 -1.10 -1.77 115.31 117.75 1mp8 h LEU 530 Ca 0.22 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1mp8 h LEU 530 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1mp8 h LEU 530 CO -0.04 0.83 -0.04 0.77 0.09 0.00 0.00 178.44 180.06 1mp8 h SER 531 N 1.20 0.30 -0.55 -0.43 4.64 -0.37 0.66 113.55 119.01 1mp8 h SER 531 Ca 0.31 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 1mp8 h SER 531 Cb -0.01 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1mp8 h SER 531 CO -0.05 0.39 0.01 0.71 -0.87 0.00 0.00 176.83 177.02 1mp8 h THR 532 N 0.32 1.26 -0.73 2.95 1.35 -0.49 0.21 112.91 117.78 1mp8 h THR 532 Ca 0.07 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 1mp8 h THR 532 Cb 0.27 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 1mp8 h THR 532 CO 0.01 0.39 0.24 0.00 -0.25 0.00 0.00 175.52 175.91 1mp8 h ALA 533 N 0.96 1.04 -0.05 6.62 0.00 -0.81 -0.73 119.26 126.30 1mp8 h ALA 533 Ca 0.16 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1mp8 h ALA 533 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1mp8 h ALA 533 CO 0.03 0.65 -0.85 -0.07 0.00 0.00 0.00 179.25 179.01 1mp8 h LEU 534 N 1.08 0.58 -0.85 0.00 3.38 -0.61 -0.26 115.31 118.64 1mp8 h LEU 534 Ca 0.24 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1mp8 h LEU 534 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1mp8 h LEU 534 CO -0.01 1.20 0.23 0.00 0.09 0.00 0.00 178.44 179.95 1mp8 h ALA 535 N 0.77 1.07 -0.23 1.53 0.00 -0.41 0.11 119.26 122.10 1mp8 h ALA 535 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1mp8 h ALA 535 Cb 1.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1mp8 h ALA 535 CO 0.15 0.64 0.15 -0.92 0.00 0.00 0.00 179.25 179.26 1mp8 h TYR 536 N 1.04 0.29 -0.64 0.00 5.03 -0.92 -0.63 116.97 121.15 1mp8 h TYR 536 Ca 0.23 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.50 1mp8 h TYR 536 Cb 0.28 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 1mp8 h TYR 536 CO 0.02 0.20 0.22 -0.07 -1.32 0.00 0.00 178.16 177.21 1mp8 h LEU 537 N 0.30 0.89 -0.65 2.82 3.38 -0.54 -1.43 115.31 120.08 1mp8 h LEU 537 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1mp8 h LEU 537 Cb -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1mp8 h LEU 537 CO -0.02 0.82 0.24 -0.08 0.09 0.00 0.00 178.44 179.49 1mp8 h GLU 538 N 0.93 0.99 0.00 1.13 4.81 -0.59 -0.26 114.58 121.60 1mp8 h GLU 538 Ca 0.21 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1mp8 h GLU 538 Cb 0.23 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1mp8 h GLU 538 CO -0.01 0.85 -0.04 0.66 -0.73 0.00 0.00 179.01 179.73 1mp8 h SER 539 N 0.93 0.00 -0.13 1.04 4.64 -0.46 -0.22 113.55 119.35 1mp8 h SER 539 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1mp8 h SER 539 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1mp8 h SER 539 CO -0.01 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1mp8 n LYS 540 N -3.71 1.69 -3.48 4.77 4.76 -0.57 -4.92 118.16 116.69 1mp8 n LYS 540 Ca -0.03 -1.02 -0.25 0.00 -2.87 0.00 0.00 58.31 54.14 1mp8 n LYS 540 Cb 0.14 -1.41 0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1mp8 n LYS 540 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mp8 n ARG 541 N 0.24 -6.20 -4.06 1.97 1.74 -0.09 -4.98 116.66 105.29 1mp8 n ARG 541 Ca 0.17 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.68 1mp8 n ARG 541 Cb 0.33 -5.72 -0.14 0.00 -1.02 0.00 0.00 32.46 25.91 1mp8 n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1mp8 s PHE 542 N -3.24 2.96 -0.25 -1.55 2.19 -0.21 -5.03 117.98 112.84 1mp8 s PHE 542 Ca 0.51 -0.77 -0.14 0.00 0.33 0.00 0.00 56.93 56.86 1mp8 s PHE 542 Cb -0.24 -2.07 -0.04 0.00 -1.31 0.00 0.00 43.02 39.36 1mp8 s PHE 542 CO 0.63 -0.42 0.31 0.08 1.83 0.00 0.00 175.22 177.64 1mp8 s VAL 543 N 1.21 5.24 0.02 3.12 1.01 -1.26 -4.28 120.40 125.46 1mp8 s VAL 543 Ca 0.03 0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1mp8 s VAL 543 Cb -0.14 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.39 1mp8 s VAL 543 CO -0.01 0.22 1.17 -0.74 0.00 0.00 0.00 175.10 175.74 1mp8 h HIS 544 N 7.96 0.62 0.00 5.22 2.76 -1.97 -3.48 115.15 126.27 1mp8 h HIS 544 Ca -0.34 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.53 1mp8 h HIS 544 Cb 1.17 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1mp8 h HIS 544 CO 0.73 1.09 0.00 0.54 -1.30 0.00 0.00 177.93 178.99 1mp8 n ARG 545 N -4.26 0.00 -2.69 5.26 1.74 -1.26 -4.82 116.66 110.64 1mp8 n ARG 545 Ca -0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.92 1mp8 n ARG 545 Cb 0.61 -3.37 0.08 0.00 -1.02 0.00 0.00 32.46 28.76 1mp8 n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1mp8 n ASP 546 N 0.00 -0.21 -4.70 0.55 4.64 -1.26 -5.02 116.55 110.56 1mp8 n ASP 546 Ca 0.00 -2.54 -0.42 0.00 -1.38 0.00 0.00 54.79 50.45 1mp8 n ASP 546 Cb 0.00 0.23 -0.03 0.00 -1.04 0.00 0.00 41.12 40.28 1mp8 n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1mp8 s ILE 547 N -1.50 4.78 -0.17 5.18 1.01 -1.26 -4.81 121.20 124.44 1mp8 s ILE 547 Ca 0.24 2.02 -0.33 0.00 0.00 0.00 0.00 60.65 62.59 1mp8 s ILE 547 Cb 0.43 -4.30 0.14 0.00 0.01 0.00 0.00 42.46 38.73 1mp8 s ILE 547 CO -0.03 0.06 1.14 0.00 0.00 0.00 0.00 174.94 176.11 1mp8 s ALA 548 N 1.65 -2.01 0.32 9.38 0.00 -1.26 -4.61 121.76 125.23 1mp8 s ALA 548 Ca 0.50 1.54 0.19 0.00 0.00 0.00 0.00 51.96 54.19 1mp8 s ALA 548 Cb -0.20 -0.30 0.91 0.00 0.00 0.00 0.00 23.12 23.54 1mp8 s ALA 548 CO 0.22 -0.52 1.87 0.00 0.00 0.00 0.00 175.76 177.33 1mp8 h ALA 549 N 2.10 1.25 0.00 0.00 0.00 -1.93 -0.49 119.26 120.18 1mp8 h ALA 549 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1mp8 h ALA 549 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1mp8 h ALA 549 CO 0.25 0.37 0.00 0.07 0.00 0.00 0.00 179.25 179.95 1mp8 h ARG 550 N 0.00 0.00 -0.44 0.00 0.11 -1.96 -2.29 114.38 109.80 1mp8 h ARG 550 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1mp8 h ARG 550 Cb 0.63 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 1mp8 h ARG 550 CO 0.04 0.00 0.03 0.09 0.10 0.00 0.00 179.97 180.23 1mp8 n ASN 551 N -2.57 4.67 -4.30 0.08 3.02 -0.19 -4.84 115.26 111.13 1mp8 n ASN 551 Ca -0.01 -3.04 -0.31 0.00 -0.03 0.00 0.00 54.58 51.19 1mp8 n ASN 551 Cb 0.14 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.52 1mp8 n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mp8 s VAL 552 N -2.85 2.03 0.23 2.41 1.01 -0.86 -0.70 120.40 121.66 1mp8 s VAL 552 Ca 0.49 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1mp8 s VAL 552 Cb 0.39 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1mp8 s VAL 552 CO 0.12 0.57 -0.01 -0.76 0.00 0.00 0.00 175.10 175.02 1mp8 s LEU 553 N -0.53 3.20 -0.25 3.92 1.43 0.36 -1.38 118.68 125.44 1mp8 s LEU 553 Ca 0.08 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1mp8 s LEU 553 Cb -0.10 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1mp8 s LEU 553 CO -0.00 0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 175.87 1mp8 s VAL 554 N -2.04 2.90 0.02 -1.59 1.01 0.98 -0.70 120.40 120.96 1mp8 s VAL 554 Ca 0.29 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1mp8 s VAL 554 Cb -0.08 -2.47 -0.33 0.00 0.00 0.00 0.00 36.38 33.50 1mp8 s VAL 554 CO 0.19 0.21 0.93 0.28 0.00 0.00 0.00 175.10 176.70 1mp8 h SER 555 N 8.02 0.73 -5.04 3.32 0.02 -0.96 -0.47 113.55 119.16 1mp8 h SER 555 Ca -0.33 -0.85 -0.00 0.00 -0.84 0.00 0.00 61.79 59.77 1mp8 h SER 555 Cb 1.11 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1mp8 h SER 555 CO 0.58 1.68 0.21 -0.94 -1.14 0.00 0.00 176.83 177.22 1mp8 s SER 556 N -7.44 -0.05 0.65 3.07 1.04 -0.95 -4.02 113.70 106.02 1mp8 s SER 556 Ca -0.10 -0.96 0.40 0.00 0.48 0.00 0.00 55.95 55.77 1mp8 s SER 556 Cb 0.05 0.79 2.23 0.00 0.10 0.00 0.00 66.02 69.18 1mp8 s SER 556 CO 0.91 -1.52 2.30 0.78 0.98 0.00 0.00 173.24 176.69 1mp8 h ASN 557 N 2.02 0.00 -0.18 7.02 -0.26 -2.03 -1.84 115.58 120.31 1mp8 h ASN 557 Ca -0.27 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.42 1mp8 h ASN 557 Cb 1.25 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.48 1mp8 h ASN 557 CO 0.34 0.00 -0.09 -0.90 -1.06 0.00 0.00 177.43 175.72 1mp8 n ASP 558 N -3.21 2.76 -3.54 5.81 3.85 -1.26 -4.99 116.55 115.97 1mp8 n ASP 558 Ca -0.03 -3.39 -0.04 0.00 -0.71 0.00 0.00 54.79 50.63 1mp8 n ASP 558 Cb 0.12 -0.54 -0.06 0.00 -1.35 0.00 0.00 41.12 39.29 1mp8 n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mp8 s VAL 560 N 2.74 3.32 0.01 0.00 -7.23 -1.26 -0.33 120.40 117.64 1mp8 s VAL 560 Ca 0.02 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1mp8 s VAL 560 Cb -0.13 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1mp8 s VAL 560 CO -0.17 -0.24 0.01 -0.54 -0.31 0.00 0.00 175.10 173.85 1mp8 s LYS 561 N -3.24 0.22 0.31 4.82 1.02 0.12 -4.72 119.74 118.27 1mp8 s LYS 561 Ca 0.28 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 1mp8 s LYS 561 Cb -0.08 0.08 -0.10 0.00 -0.52 0.00 0.00 37.83 37.22 1mp8 s LYS 561 CO 0.18 -0.04 1.29 -0.51 -0.92 0.00 0.00 175.35 175.34 1mp8 s LEU 562 N -0.90 4.44 0.00 3.17 1.43 0.33 -0.49 118.68 126.66 1mp8 s LEU 562 Ca -0.10 2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1mp8 s LEU 562 Cb -0.06 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.56 1mp8 s LEU 562 CO -0.00 -0.49 0.27 0.61 0.23 0.00 0.00 176.35 176.97 1mp8 n GLY 563 N 1.08 0.21 3.36 -3.19 0.00 0.12 -1.26 105.19 105.51 1mp8 n GLY 563 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1mp8 n GLY 563 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mp8 n ASP 564 N -3.04 0.00 -4.82 1.61 10.43 -1.26 -4.83 116.55 114.64 1mp8 n ASP 564 Ca 0.04 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.02 1mp8 n ASP 564 Cb 0.15 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.05 1mp8 n ASP 564 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1mp8 s LEU 584 N 0.00 4.49 -1.52 0.64 0.20 -1.26 -4.92 118.68 116.32 1mp8 s LEU 584 Ca 0.00 1.11 -0.11 0.00 0.69 0.00 0.00 54.13 55.82 1mp8 s LEU 584 Cb 0.00 -2.75 -0.06 0.00 -0.43 0.00 0.00 46.19 42.94 1mp8 s LEU 584 CO 0.00 0.28 2.74 -0.81 -0.29 0.00 0.00 176.35 178.27 1mp8 n PRO 585 N 1.88 3.37 -0.27 0.98 -0.04 -1.26 -4.72 135.00 134.94 1mp8 n PRO 585 Ca -0.12 -2.20 0.07 0.00 -0.04 0.00 0.00 63.50 61.22 1mp8 n PRO 585 Cb 0.51 -2.86 0.19 0.00 -0.04 0.00 0.00 33.50 31.31 1mp8 n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1mp8 h ILE 586 N 3.25 0.35 0.00 0.52 1.08 -1.96 -1.09 117.51 119.66 1mp8 h ILE 586 Ca 0.78 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 65.20 1mp8 h ILE 586 Cb 0.34 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1mp8 h ILE 586 CO 1.78 0.03 0.00 0.29 -0.69 0.00 0.00 178.15 179.56 1mp8 n LYS 587 N -5.29 0.12 0.00 2.37 5.02 -1.26 -1.00 118.16 118.11 1mp8 n LYS 587 Ca 0.16 0.55 0.07 0.00 -2.02 0.00 0.00 58.31 57.07 1mp8 n LYS 587 Cb 0.53 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1mp8 n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1mp8 n TRP 588 N -2.10 0.00 -3.16 2.13 8.01 -0.43 -4.93 117.44 116.95 1mp8 n TRP 588 Ca -0.00 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1mp8 n TRP 588 Cb 0.08 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 1mp8 n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1mp8 s MET 589 N -2.26 4.04 0.62 -0.99 -1.94 -0.17 -3.87 119.30 114.72 1mp8 s MET 589 Ca 0.08 0.67 -0.15 0.00 -1.71 0.00 0.00 55.69 54.58 1mp8 s MET 589 Cb 0.12 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 1mp8 s MET 589 CO 0.55 0.23 1.08 0.00 -0.01 0.00 0.00 175.02 176.88 1mp8 s ALA 590 N -1.85 2.65 0.22 3.03 0.00 -1.26 -4.83 121.76 119.73 1mp8 s ALA 590 Ca 0.50 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 1mp8 s ALA 590 Cb -0.12 -3.26 0.26 0.00 0.00 0.00 0.00 23.12 20.00 1mp8 s ALA 590 CO 0.19 -0.97 1.85 -1.35 0.00 0.00 0.00 175.76 175.48 1mp8 h PRO 591 N 0.30 0.90 0.00 0.00 0.11 -1.95 -0.61 132.00 130.75 1mp8 h PRO 591 Ca -0.47 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1mp8 h PRO 591 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1mp8 h PRO 591 CO 0.56 0.60 -0.20 1.05 -0.21 0.00 0.00 178.00 179.80 1mp8 h GLU 592 N 0.93 0.00 -0.03 1.05 9.09 -1.89 0.52 114.58 124.25 1mp8 h GLU 592 Ca 0.33 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.60 1mp8 h GLU 592 Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 1mp8 h GLU 592 CO -0.14 0.20 -0.51 0.77 0.05 0.00 0.00 179.01 179.38 1mp8 h SER 593 N 0.00 0.50 -0.08 3.06 0.02 -1.17 -1.51 113.55 114.37 1mp8 h SER 593 Ca -0.00 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 1mp8 h SER 593 Cb 0.46 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1mp8 h SER 593 CO 0.03 1.16 0.03 0.40 -1.14 0.00 0.00 176.83 177.30 1mp8 h ILE 594 N -0.11 1.17 -0.03 3.27 2.04 -0.82 -0.83 117.51 122.20 1mp8 h ILE 594 Ca -0.06 -0.51 -0.24 0.00 1.00 0.00 0.00 64.86 65.05 1mp8 h ILE 594 Cb 1.21 1.36 0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1mp8 h ILE 594 CO 0.10 0.15 -0.92 0.78 0.00 0.00 0.00 178.15 178.25 1mp8 h ASN 595 N -0.06 0.86 0.00 1.72 2.35 -1.03 -3.40 115.58 116.03 1mp8 h ASN 595 Ca 0.03 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1mp8 h ASN 595 Cb 0.21 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1mp8 h ASN 595 CO -0.00 1.46 0.00 0.49 -1.65 0.00 0.00 177.43 177.73 1mp8 n PHE 596 N -3.93 0.00 -2.77 1.19 3.72 -0.64 -5.00 117.46 110.02 1mp8 n PHE 596 Ca -0.10 -0.15 -0.20 0.00 -0.05 0.00 0.00 57.45 56.94 1mp8 n PHE 596 Cb 0.82 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.36 1mp8 n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1mp8 n ARG 597 N -0.15 -3.25 -2.96 -1.08 5.12 -0.32 -4.93 116.66 109.09 1mp8 n ARG 597 Ca 0.00 0.84 -0.41 0.00 -1.93 0.00 0.00 57.85 56.35 1mp8 n ARG 597 Cb 0.36 -5.58 -0.04 0.00 -1.16 0.00 0.00 32.46 26.04 1mp8 n ARG 597 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1mp8 s ARG 598 N -5.42 4.35 -0.11 5.56 3.52 -0.76 -4.93 118.95 121.16 1mp8 s ARG 598 Ca 0.17 0.94 -0.00 0.00 -0.13 0.00 0.00 55.73 56.71 1mp8 s ARG 598 Cb -0.08 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1mp8 s ARG 598 CO 0.21 -0.17 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.40 1mp8 s PHE 599 N 1.59 1.44 0.31 5.12 0.40 -1.26 -3.33 117.98 122.24 1mp8 s PHE 599 Ca 0.38 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1mp8 s PHE 599 Cb -0.17 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1mp8 s PHE 599 CO 0.15 -0.48 0.36 0.95 0.70 0.00 0.00 175.22 176.90 1mp8 s THR 600 N 1.60 0.00 0.48 0.64 -4.23 -1.26 -4.98 115.64 107.89 1mp8 s THR 600 Ca 0.03 -1.77 0.17 0.00 -1.18 0.00 0.00 61.69 58.94 1mp8 s THR 600 Cb -0.13 -2.54 0.33 0.00 1.34 0.00 0.00 72.50 71.51 1mp8 s THR 600 CO -0.07 0.00 2.02 0.28 -0.54 0.00 0.00 174.62 176.31 1mp8 h SER 601 N 2.21 0.20 -0.22 3.99 0.02 -1.98 -1.14 113.55 116.63 1mp8 h SER 601 Ca -0.28 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 1mp8 h SER 601 Cb 1.24 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1mp8 h SER 601 CO 0.40 0.12 -0.24 0.00 -1.14 0.00 0.00 176.83 175.97 1mp8 h ALA 602 N 1.77 0.94 -0.06 3.77 0.00 -1.93 -0.68 119.26 123.05 1mp8 h ALA 602 Ca 0.21 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1mp8 h ALA 602 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mp8 h ALA 602 CO -0.04 0.61 -0.58 0.66 0.00 0.00 0.00 179.25 179.90 1mp8 h SER 603 N 0.60 0.23 -0.77 0.00 4.64 -1.64 -2.27 113.55 114.33 1mp8 h SER 603 Ca 0.08 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1mp8 h SER 603 Cb 0.72 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 1mp8 h SER 603 CO 0.06 0.76 0.47 0.44 -0.87 0.00 0.00 176.83 177.69 1mp8 h ASP 604 N 0.15 0.92 -0.72 4.97 3.45 -0.84 -2.38 116.42 121.98 1mp8 h ASP 604 Ca -0.00 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1mp8 h ASP 604 Cb 1.06 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.57 1mp8 h ASP 604 CO 0.09 0.71 0.31 0.58 -1.57 0.00 0.00 179.24 179.35 1mp8 h VAL 605 N 1.07 1.24 -0.24 -1.35 2.07 -0.57 0.12 116.25 118.59 1mp8 h VAL 605 Ca 0.28 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1mp8 h VAL 605 Cb -0.05 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1mp8 h VAL 605 CO -0.05 0.30 0.04 -0.25 0.02 0.00 0.00 177.57 177.63 1mp8 h TRP 606 N 1.02 0.07 -0.70 1.57 2.91 -1.10 0.17 115.95 119.88 1mp8 h TRP 606 Ca 0.24 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.23 1mp8 h TRP 606 Cb 0.17 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 1mp8 h TRP 606 CO 0.01 0.01 0.27 0.52 -1.03 0.00 0.00 178.44 178.22 1mp8 h MET 607 N 0.13 1.05 -0.72 2.65 0.00 -0.90 -1.57 114.93 115.57 1mp8 h MET 607 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 59.70 59.58 1mp8 h MET 607 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 31.60 31.51 1mp8 h MET 607 CO -0.15 0.87 0.27 0.35 0.00 0.00 0.00 176.91 178.24 1mp8 h PHE 608 N 1.02 1.08 -0.71 -0.22 3.04 -0.37 0.14 116.94 120.94 1mp8 h PHE 608 Ca 0.24 -0.08 0.09 0.00 3.98 0.00 0.00 57.97 62.20 1mp8 h PHE 608 Cb 0.22 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 38.33 1mp8 h PHE 608 CO 0.02 0.83 0.36 0.78 -2.02 0.00 0.00 178.31 178.28 1mp8 h GLY 609 N 1.10 1.06 1.04 2.40 0.00 -0.01 0.23 103.07 108.88 1mp8 h GLY 609 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1mp8 h GLY 609 CO -0.02 0.07 -0.13 -2.08 0.00 0.00 0.00 176.54 174.38 1mp8 h VAL 610 N 0.61 1.27 -0.72 4.60 2.07 -0.65 -1.69 116.25 121.74 1mp8 h VAL 610 Ca 0.34 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.66 1mp8 h VAL 610 Cb 0.35 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1mp8 h VAL 610 CO -0.26 0.43 0.41 0.00 0.02 0.00 0.00 177.57 178.17 1mp8 h MET 612 N 0.74 1.20 -0.50 0.00 2.86 -0.24 -0.81 114.93 118.19 1mp8 h MET 612 Ca 0.32 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1mp8 h MET 612 Cb 0.21 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1mp8 h MET 612 CO -0.19 0.91 0.31 2.35 1.06 0.00 0.00 176.91 181.35 1mp8 h TRP 613 N 1.19 0.59 -0.69 -0.22 7.01 -0.54 -0.33 115.95 122.97 1mp8 h TRP 613 Ca 0.29 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.38 1mp8 h TRP 613 Cb 0.08 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.89 1mp8 h TRP 613 CO 0.01 0.35 0.38 0.93 -2.79 0.00 0.00 178.44 177.32 1mp8 h GLU 614 N 0.63 0.66 -0.33 2.65 5.08 -0.40 0.51 114.58 123.38 1mp8 h GLU 614 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1mp8 h GLU 614 Cb -0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1mp8 h GLU 614 CO -0.07 0.44 0.06 0.82 -1.00 0.00 0.00 179.01 179.26 1mp8 h ILE 615 N 0.68 1.23 0.00 3.13 2.04 -0.20 0.26 117.51 124.65 1mp8 h ILE 615 Ca 0.32 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1mp8 h ILE 615 Cb 0.23 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1mp8 h ILE 615 CO -0.20 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.15 1mp8 h LEU 616 N 0.39 0.00 -1.60 1.44 -0.00 -0.70 -1.50 115.31 113.34 1mp8 h LEU 616 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1mp8 h LEU 616 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1mp8 h LEU 616 CO 0.01 0.00 0.00 0.23 -0.00 0.00 0.00 178.44 178.68 1mp8 n MET 617 N -2.82 2.01 -2.98 1.13 2.81 0.13 -4.78 117.12 112.62 1mp8 n MET 617 Ca 0.01 -1.56 -0.20 0.00 -1.81 0.00 0.00 57.70 54.14 1mp8 n MET 617 Cb 0.31 -1.37 0.04 0.00 -0.71 0.00 0.00 33.22 31.48 1mp8 n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1mp8 n HIS 618 N 0.77 -1.80 -0.67 2.03 8.25 -0.57 -3.10 115.22 120.13 1mp8 n HIS 618 Ca 0.16 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1mp8 n HIS 618 Cb 0.39 -4.10 0.00 0.00 1.12 0.00 0.00 29.99 27.40 1mp8 n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mp8 n GLY 619 N -1.47 0.59 3.75 -1.41 0.00 0.04 -3.28 105.19 103.41 1mp8 n GLY 619 Ca -0.09 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1mp8 n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mp8 s VAL 620 N -2.00 4.16 0.56 1.61 1.01 -1.18 -4.92 120.40 119.64 1mp8 s VAL 620 Ca 0.00 2.00 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1mp8 s VAL 620 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1mp8 s VAL 620 CO 0.00 0.50 1.01 -0.54 0.00 0.00 0.00 175.10 176.06 1mp8 s LYS 621 N -1.11 3.77 0.52 2.72 1.02 -1.26 -4.64 119.74 120.76 1mp8 s LYS 621 Ca 0.40 0.89 -0.20 0.00 0.02 0.00 0.00 55.97 57.08 1mp8 s LYS 621 Cb -0.25 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1mp8 s LYS 621 CO 0.31 -0.42 1.09 -1.25 -0.92 0.00 0.00 175.35 174.15 1mp8 s PRO 622 N -4.51 3.52 -1.35 -1.68 0.04 -1.26 -4.01 135.00 125.76 1mp8 s PRO 622 Ca 0.58 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 1mp8 s PRO 622 Cb -0.11 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1mp8 s PRO 622 CO 0.40 -0.69 1.03 1.19 0.04 0.00 0.00 177.00 178.98 1mp8 n PHE 623 N -1.20 -2.46 -1.83 0.56 3.01 -1.26 -4.90 117.46 109.37 1mp8 n PHE 623 Ca 0.11 0.95 -0.41 0.00 1.01 0.00 0.00 57.45 59.10 1mp8 n PHE 623 Cb 0.52 -4.73 -0.02 0.00 -0.01 0.00 0.00 39.48 35.24 1mp8 n PHE 623 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1mp8 s GLN 624 N -6.12 4.15 0.00 -1.08 1.11 -1.26 -1.86 119.66 114.61 1mp8 s GLN 624 Ca 0.39 2.52 0.00 0.00 0.01 0.00 0.00 55.36 58.27 1mp8 s GLN 624 Cb -0.18 -3.04 0.00 0.00 -1.01 0.00 0.00 33.01 28.78 1mp8 s GLN 624 CO 0.76 -0.58 0.00 0.41 0.01 0.00 0.00 175.29 175.89 1mp8 n GLY 625 N 2.08 0.44 3.49 3.09 0.00 -1.26 -5.01 105.19 108.01 1mp8 n GLY 625 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1mp8 n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mp8 s VAL 626 N -1.92 3.39 0.34 1.61 1.01 -0.78 -5.09 120.40 118.97 1mp8 s VAL 626 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1mp8 s VAL 626 Cb 0.00 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1mp8 s VAL 626 CO 0.00 0.56 1.17 -0.54 0.00 0.00 0.00 175.10 176.30 1mp8 s LYS 627 N -0.30 4.33 0.25 2.72 1.02 -1.26 -4.93 119.74 121.57 1mp8 s LYS 627 Ca 0.03 1.91 -0.05 0.00 0.02 0.00 0.00 55.97 57.88 1mp8 s LYS 627 Cb -0.13 -2.94 0.47 0.00 -0.52 0.00 0.00 37.83 34.71 1mp8 s LYS 627 CO 0.03 -0.10 1.69 -0.91 -0.92 0.00 0.00 175.35 175.13 1mp8 h ASN 628 N 3.21 0.04 0.32 2.83 2.35 -1.98 0.79 115.58 123.14 1mp8 h ASN 628 Ca -0.48 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1mp8 h ASN 628 Cb 1.22 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1mp8 h ASN 628 CO 0.65 -0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.99 1mp8 n ASN 629 N -5.14 0.39 -0.47 5.81 3.02 -1.26 -1.89 115.26 115.72 1mp8 n ASN 629 Ca 0.14 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.45 1mp8 n ASN 629 Cb 0.46 -0.70 0.15 0.00 -0.61 0.00 0.00 39.78 39.08 1mp8 n ASN 629 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1mp8 n ASP 630 N -1.98 1.80 0.02 6.41 10.43 0.27 -4.46 116.55 129.04 1mp8 n ASP 630 Ca 0.01 -1.38 -0.13 0.00 2.57 0.00 0.00 54.79 55.86 1mp8 n ASP 630 Cb 0.11 0.31 -0.08 0.00 1.84 0.00 0.00 41.12 43.30 1mp8 n ASP 630 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1mp8 h VAL 631 N 2.29 1.16 -0.53 2.53 2.07 -1.38 -2.77 116.25 119.62 1mp8 h VAL 631 Ca 0.00 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1mp8 h VAL 631 Cb 0.69 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1mp8 h VAL 631 CO 0.00 0.13 0.35 -0.29 0.02 0.00 0.00 177.57 177.79 1mp8 h ILE 632 N -0.24 1.11 -0.50 4.57 6.09 -1.78 -1.06 117.51 125.70 1mp8 h ILE 632 Ca -0.00 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 63.23 1mp8 h ILE 632 Cb 0.23 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 37.87 1mp8 h ILE 632 CO 0.00 0.12 0.21 1.23 -3.07 0.00 0.00 178.15 176.65 1mp8 h GLY 633 N 0.68 0.79 0.98 8.18 0.00 -1.75 0.13 103.07 112.08 1mp8 h GLY 633 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1mp8 h GLY 633 CO -0.05 0.40 0.04 3.21 0.00 0.00 0.00 176.54 180.14 1mp8 h ARG 634 N 0.67 0.80 -0.56 4.80 3.08 -0.98 -1.73 114.38 120.45 1mp8 h ARG 634 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1mp8 h ARG 634 Cb 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1mp8 h ARG 634 CO -0.02 0.83 0.32 0.82 -1.07 0.00 0.00 179.97 180.85 1mp8 h ILE 635 N 0.66 1.18 0.00 2.04 2.04 -0.98 -1.12 117.51 121.34 1mp8 h ILE 635 Ca 0.14 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1mp8 h ILE 635 Cb 0.44 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1mp8 h ILE 635 CO 0.02 0.19 -0.19 -0.33 0.00 0.00 0.00 178.15 177.84 1mp8 h GLU 636 N 0.75 0.00 0.00 2.37 5.08 -0.81 -1.22 114.58 120.75 1mp8 h GLU 636 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1mp8 h GLU 636 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1mp8 h GLU 636 CO -0.03 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.26 1mp8 n ASN 637 N -3.96 0.00 0.00 1.42 5.03 -0.67 -4.88 115.26 112.20 1mp8 n ASN 637 Ca -0.02 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1mp8 n ASN 637 Cb 0.27 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1mp8 n ASN 637 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mp8 n GLY 638 N 0.69 0.69 3.78 7.41 0.00 -0.46 -5.06 105.19 112.25 1mp8 n GLY 638 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1mp8 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mp8 s GLU 639 N -0.66 3.85 0.05 1.61 2.02 -0.51 -5.00 118.70 120.06 1mp8 s GLU 639 Ca 0.00 1.62 -0.02 0.00 0.02 0.00 0.00 54.97 56.58 1mp8 s GLU 639 Cb 0.00 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1mp8 s GLU 639 CO 0.00 -0.44 0.01 1.03 0.02 0.00 0.00 175.26 175.89 1mp8 s ARG 640 N -2.77 0.59 0.25 1.61 1.81 -1.26 -4.25 118.95 114.93 1mp8 s ARG 640 Ca 0.63 -1.03 -0.30 0.00 -1.72 0.00 0.00 55.73 53.30 1mp8 s ARG 640 Cb -0.24 0.21 -0.14 0.00 -0.45 0.00 0.00 34.95 34.33 1mp8 s ARG 640 CO 0.30 -0.13 1.28 1.28 -0.68 0.00 0.00 175.30 177.35 1mp8 n LEU 641 N 0.40 2.70 -4.86 2.53 4.77 -1.26 -4.93 117.00 116.35 1mp8 n LEU 641 Ca -0.16 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 1mp8 n LEU 641 Cb 0.60 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1mp8 n LEU 641 CO 0.25 -0.77 0.73 -2.16 -1.33 0.00 0.00 177.39 174.11 1mp8 s PRO 642 N -0.85 3.19 0.03 3.23 0.04 -1.26 -4.96 135.00 134.41 1mp8 s PRO 642 Ca 0.65 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1mp8 s PRO 642 Cb -0.68 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 1mp8 s PRO 642 CO 0.54 -0.85 1.92 -0.12 0.04 0.00 0.00 177.00 178.53 1mp8 n MET 643 N -2.92 2.68 -1.91 4.56 0.00 -1.26 -4.93 117.12 113.33 1mp8 n MET 643 Ca 0.07 0.98 -0.40 0.00 -0.00 0.00 0.00 57.70 58.35 1mp8 n MET 643 Cb 0.55 -2.90 0.01 0.00 0.00 0.00 0.00 33.22 30.88 1mp8 n MET 643 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1mp8 s PRO 644 N 3.98 3.87 0.29 2.12 0.02 -1.26 -4.92 135.00 139.09 1mp8 s PRO 644 Ca 0.88 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.93 1mp8 s PRO 644 Cb -0.51 -2.74 -0.13 0.00 0.02 0.00 0.00 34.50 31.14 1mp8 s PRO 644 CO 0.43 -0.64 1.38 -2.30 -0.33 0.00 0.00 177.00 175.54 1mp8 n PRO 645 N 0.04 2.14 -0.91 5.54 -0.02 -1.26 -1.78 135.00 138.75 1mp8 n PRO 645 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1mp8 n PRO 645 Cb 0.42 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1mp8 n PRO 645 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mp8 n ASN 646 N 1.57 -1.48 -4.72 2.55 3.02 -1.26 -4.95 115.26 109.99 1mp8 n ASN 646 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 1mp8 n ASN 646 Cb 0.34 -0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1mp8 n ASN 646 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mp8 n PRO 648 N 3.60 2.68 -0.24 0.00 -0.02 -1.26 -4.83 135.00 134.92 1mp8 n PRO 648 Ca 0.06 0.95 0.07 0.00 -2.02 0.00 0.00 63.50 62.55 1mp8 n PRO 648 Cb 0.49 -2.70 0.32 0.00 -0.02 0.00 0.00 33.50 31.59 1mp8 n PRO 648 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1mp8 h PRO 649 N 3.91 0.80 -0.66 0.52 0.13 -1.98 -1.10 132.00 133.62 1mp8 h PRO 649 Ca -0.49 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1mp8 h PRO 649 Cb 1.23 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1mp8 h PRO 649 CO 0.72 0.53 0.40 1.79 -0.23 0.00 0.00 178.00 181.22 1mp8 h THR 650 N 0.83 1.18 -0.12 1.56 1.35 -1.99 0.43 112.91 116.16 1mp8 h THR 650 Ca 0.37 -0.40 -0.16 0.00 -0.55 0.00 0.00 66.41 65.66 1mp8 h THR 650 Cb 0.34 0.24 0.01 0.00 -1.73 0.00 0.00 68.15 67.01 1mp8 h THR 650 CO -0.14 0.19 -0.56 0.25 -0.25 0.00 0.00 175.52 175.01 1mp8 h LEU 651 N 0.91 0.71 -0.68 3.87 5.85 -1.67 -2.22 115.31 122.09 1mp8 h LEU 651 Ca 0.24 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1mp8 h LEU 651 Cb -0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1mp8 h LEU 651 CO -0.05 1.22 0.38 0.22 -0.34 0.00 0.00 178.44 179.88 1mp8 h TYR 652 N 0.24 0.93 -0.89 1.25 3.20 -0.75 -1.62 116.97 119.33 1mp8 h TYR 652 Ca -0.04 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 61.99 1mp8 h TYR 652 Cb 1.20 -0.30 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1mp8 h TYR 652 CO 0.11 0.65 0.45 1.03 -1.64 0.00 0.00 178.16 178.76 1mp8 h SER 653 N 0.93 0.51 -0.58 -2.11 0.87 -0.11 -0.50 113.55 112.56 1mp8 h SER 653 Ca 0.24 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1mp8 h SER 653 Cb 0.03 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1mp8 h SER 653 CO -0.04 0.16 0.27 0.25 -0.53 0.00 0.00 176.83 176.94 1mp8 h LEU 654 N 0.57 0.78 -0.59 2.23 5.85 -0.74 -1.90 115.31 121.51 1mp8 h LEU 654 Ca 0.51 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1mp8 h LEU 654 Cb 0.82 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1mp8 h LEU 654 CO -0.42 0.70 0.32 0.24 -0.34 0.00 0.00 178.44 178.95 1mp8 h MET 655 N 0.80 0.59 0.00 1.25 2.86 -0.26 -2.42 114.93 117.75 1mp8 h MET 655 Ca 0.20 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1mp8 h MET 655 Cb 0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1mp8 h MET 655 CO -0.02 0.39 -0.34 1.79 1.06 0.00 0.00 176.91 179.79 1mp8 h THR 656 N 0.61 1.10 0.00 2.22 1.35 -0.68 -0.27 112.91 117.24 1mp8 h THR 656 Ca 0.26 -1.24 -0.05 0.00 -0.55 0.00 0.00 66.41 64.83 1mp8 h THR 656 Cb 0.14 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1mp8 h THR 656 CO -0.16 0.34 -0.25 0.11 -0.25 0.00 0.00 175.52 175.31 1mp8 h LYS 657 N 0.00 0.00 0.00 4.72 1.57 -0.88 -1.78 116.57 120.19 1mp8 h LYS 657 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mp8 h LYS 657 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1mp8 h LYS 657 CO 0.04 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1mp8 n TRP 659 N -3.02 1.97 -1.79 0.00 8.01 -0.68 -3.59 117.44 118.34 1mp8 n TRP 659 Ca 0.01 -1.45 -0.41 0.00 -1.31 0.00 0.00 57.50 54.34 1mp8 n TRP 659 Cb 0.33 -0.64 -0.02 0.00 -2.01 0.00 0.00 31.31 28.97 1mp8 n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1mp8 s ALA 660 N -3.13 3.75 0.19 6.99 0.00 -1.09 -4.89 121.76 123.57 1mp8 s ALA 660 Ca 0.51 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.91 1mp8 s ALA 660 Cb 0.43 -3.65 0.11 0.00 0.00 0.00 0.00 23.12 20.01 1mp8 s ALA 660 CO 0.08 -0.97 1.79 -0.92 0.00 0.00 0.00 175.76 175.74 1mp8 h TYR 661 N 4.95 0.91 -3.31 0.00 5.03 -1.93 -3.39 116.97 119.23 1mp8 h TYR 661 Ca -0.47 -0.03 -0.58 0.00 2.58 0.00 0.00 58.73 60.24 1mp8 h TYR 661 Cb 1.22 -0.29 -0.07 0.00 1.55 0.00 0.00 36.73 39.14 1mp8 h TYR 661 CO 0.59 0.66 0.76 0.34 -1.32 0.00 0.00 178.16 179.19 1mp8 s ASP 662 N -5.99 6.90 0.45 -2.11 3.68 -1.26 -4.86 116.67 113.47 1mp8 s ASP 662 Ca -0.13 1.00 0.14 0.00 2.13 0.00 0.00 52.55 55.70 1mp8 s ASP 662 Cb 0.14 -2.52 1.07 0.00 -1.45 0.00 0.00 42.92 40.16 1mp8 s ASP 662 CO 0.79 -0.82 2.02 1.55 0.13 0.00 0.00 175.17 178.84 1mp8 h PRO 663 N 8.05 0.32 0.00 4.34 0.13 -1.96 -0.16 132.00 142.73 1mp8 h PRO 663 Ca -0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1mp8 h PRO 663 Cb 1.07 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1mp8 h PRO 663 CO 1.00 0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.86 1mp8 n SER 664 N -4.47 0.68 -0.33 1.44 3.41 -1.26 -2.23 113.62 110.85 1mp8 n SER 664 Ca 0.07 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1mp8 n SER 664 Cb 0.30 -0.83 0.22 0.00 -0.26 0.00 0.00 64.21 63.64 1mp8 n SER 664 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mp8 n ARG 665 N -2.29 0.96 -2.61 4.33 5.12 -0.07 -4.92 116.66 117.18 1mp8 n ARG 665 Ca 0.01 -0.67 -0.32 0.00 -1.93 0.00 0.00 57.85 54.94 1mp8 n ARG 665 Cb 0.18 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.95 1mp8 n ARG 665 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1mp8 s ARG 666 N -2.51 4.07 0.68 5.56 0.52 -0.95 -4.91 118.95 121.42 1mp8 s ARG 666 Ca 0.22 1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 56.28 1mp8 s ARG 666 Cb 0.19 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.50 1mp8 s ARG 666 CO 0.55 -0.15 1.15 -1.25 0.02 0.00 0.00 175.30 175.62 1mp8 s PRO 667 N -3.66 2.54 0.66 3.54 0.04 -1.26 -5.02 135.00 131.83 1mp8 s PRO 667 Ca 0.60 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 1mp8 s PRO 667 Cb -0.10 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1mp8 s PRO 667 CO 0.23 -1.48 1.05 1.03 0.04 0.00 0.00 177.00 177.87 1mp8 s ARG 668 N -3.97 3.24 0.40 4.56 1.81 -1.26 -4.90 118.95 118.83 1mp8 s ARG 668 Ca 0.70 0.59 0.07 0.00 -1.72 0.00 0.00 55.73 55.37 1mp8 s ARG 668 Cb -0.24 -2.06 0.83 0.00 -0.45 0.00 0.00 34.95 33.03 1mp8 s ARG 668 CO 0.42 -0.78 2.03 0.74 -0.68 0.00 0.00 175.30 177.03 1mp8 h PHE 669 N -0.46 0.49 -0.05 -0.53 0.04 -1.92 -1.42 116.94 113.09 1mp8 h PHE 669 Ca -0.45 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 1mp8 h PHE 669 Cb 1.22 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1mp8 h PHE 669 CO 0.58 0.35 -0.22 0.00 -0.60 0.00 0.00 178.31 178.42 1mp8 h THR 670 N 0.51 1.18 -0.26 -1.55 1.03 -1.90 0.47 112.91 112.41 1mp8 h THR 670 Ca 0.13 -0.86 -0.17 0.00 -0.01 0.00 0.00 66.41 65.50 1mp8 h THR 670 Cb 0.01 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1mp8 h THR 670 CO -0.02 0.25 -0.50 -0.08 -0.01 0.00 0.00 175.52 175.16 1mp8 h GLU 671 N 0.08 0.80 -0.82 0.00 4.57 -1.67 -1.92 114.58 115.61 1mp8 h GLU 671 Ca 0.01 -0.51 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 1mp8 h GLU 671 Cb 0.44 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1mp8 h GLU 671 CO 0.03 1.14 0.39 -0.07 -1.18 0.00 0.00 179.01 179.33 1mp8 h LEU 672 N 0.55 1.08 -0.09 1.64 3.38 -0.66 -0.27 115.31 120.94 1mp8 h LEU 672 Ca 0.01 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1mp8 h LEU 672 Cb 1.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1mp8 h LEU 672 CO 0.11 0.91 -0.07 0.50 0.09 0.00 0.00 178.44 179.99 1mp8 h LYS 673 N 1.17 -0.07 -0.35 1.13 3.64 -0.86 0.32 116.57 121.55 1mp8 h LYS 673 Ca 0.28 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1mp8 h LYS 673 Cb 0.12 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1mp8 h LYS 673 CO -0.04 -0.05 0.17 0.00 -2.27 0.00 0.00 179.45 177.26 1mp8 h ALA 674 N 1.00 0.43 -0.37 5.00 0.00 -0.89 -0.09 119.26 124.34 1mp8 h ALA 674 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1mp8 h ALA 674 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1mp8 h ALA 674 CO -0.14 -0.21 -0.35 1.96 0.00 0.00 0.00 179.25 180.51 1mp8 h GLN 675 N 0.34 0.86 -0.19 0.00 1.08 -0.85 -2.81 115.11 113.56 1mp8 h GLN 675 Ca 0.15 -0.43 -0.09 0.00 -1.45 0.00 0.00 58.65 56.83 1mp8 h GLN 675 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1mp8 h GLN 675 CO -0.12 1.07 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.48 1mp8 h LEU 676 N 0.71 0.36 -0.21 1.46 3.38 -0.07 -1.86 115.31 119.08 1mp8 h LEU 676 Ca 0.07 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1mp8 h LEU 676 Cb 0.92 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1mp8 h LEU 676 CO 0.09 0.64 -0.05 -1.28 0.09 0.00 0.00 178.44 177.93 1mp8 h SER 677 N 0.31 -0.19 -0.76 -0.43 0.87 -0.82 0.47 113.55 113.00 1mp8 h SER 677 Ca 0.04 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1mp8 h SER 677 Cb 0.67 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1mp8 h SER 677 CO 0.05 -0.07 0.30 0.71 -0.53 0.00 0.00 176.83 177.30 1mp8 h THR 678 N 0.00 1.26 -0.72 2.23 1.35 -1.24 0.36 112.91 116.14 1mp8 h THR 678 Ca 0.10 -0.81 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1mp8 h THR 678 Cb 0.15 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 1mp8 h THR 678 CO -0.22 0.33 0.26 0.40 -0.25 0.00 0.00 175.52 176.04 1mp8 h ILE 679 N 1.11 1.25 -0.21 6.82 2.04 -1.05 -0.52 117.51 126.95 1mp8 h ILE 679 Ca 0.25 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1mp8 h ILE 679 Cb 0.22 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1mp8 h ILE 679 CO -0.02 0.33 0.07 0.25 0.00 0.00 0.00 178.15 178.78 1mp8 h LEU 680 N 1.05 0.31 -0.62 1.44 5.85 -0.73 -0.78 115.31 121.82 1mp8 h LEU 680 Ca 0.24 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1mp8 h LEU 680 Cb 0.25 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1mp8 h LEU 680 CO -0.01 0.42 0.34 -0.33 -0.34 0.00 0.00 178.44 178.52 1mp8 h GLU 681 N 0.18 0.87 -0.70 1.25 4.39 -0.65 0.60 114.58 120.52 1mp8 h GLU 681 Ca 0.07 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1mp8 h GLU 681 Cb 0.22 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1mp8 h GLU 681 CO -0.00 0.65 0.46 1.49 -1.16 0.00 0.00 179.01 180.45 1mp8 h GLU 682 N 0.85 0.91 -0.33 2.33 4.57 -0.97 -1.86 114.58 120.07 1mp8 h GLU 682 Ca 0.22 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1mp8 h GLU 682 Cb 0.04 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1mp8 h GLU 682 CO -0.04 0.60 -0.37 1.49 -1.18 0.00 0.00 179.01 179.51 1mp8 h GLU 683 N 0.94 0.78 0.00 1.92 4.57 -0.52 -1.75 114.58 120.51 1mp8 h GLU 683 Ca 0.26 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1mp8 h GLU 683 Cb -0.10 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1mp8 h GLU 683 CO -0.06 1.02 -0.02 0.87 -1.18 0.00 0.00 179.01 179.64 1mp8 h LYS 684 N 0.64 0.00 0.00 1.92 1.57 -0.66 -0.60 116.57 119.44 1mp8 h LYS 684 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1mp8 h LYS 684 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1mp8 h LYS 684 CO 0.08 0.02 -0.18 0.00 -0.57 0.00 0.00 179.45 178.81 1mp8 h ALA 685 N 1.98 0.91 0.00 3.86 0.00 -0.48 -3.51 119.26 122.01 1mp8 h ALA 685 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mp8 h ALA 685 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mp8 h ALA 685 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.19