#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0m n TYR 415 N 0.00 0.71 -2.04 2.11 4.02 -1.26 -4.98 117.16 115.72 2j0m n TYR 415 Ca 0.00 -0.37 -0.42 0.00 -0.01 0.00 0.00 57.90 57.10 2j0m n TYR 415 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2j0m n TYR 415 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2j0m s GLU 416 N -1.22 4.26 -0.02 -0.72 0.41 -1.25 0.74 118.70 120.90 2j0m s GLU 416 Ca 0.42 2.23 0.07 0.00 -0.41 0.00 0.00 54.97 57.28 2j0m s GLU 416 Cb 0.23 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.35 2j0m s GLU 416 CO 0.31 -0.54 -0.24 0.42 -0.49 0.00 0.00 175.26 174.73 2j0m s ILE 417 N 1.18 2.27 -0.15 -1.63 1.01 0.14 -4.84 121.20 119.18 2j0m s ILE 417 Ca 0.68 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 2j0m s ILE 417 Cb -0.40 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2j0m s ILE 417 CO 0.31 0.57 0.91 -1.10 0.00 0.00 0.00 174.94 175.62 2j0m s GLN 418 N -0.68 4.34 0.46 2.79 -0.21 -1.26 -4.41 119.66 120.70 2j0m s GLN 418 Ca 0.10 1.18 0.23 0.00 0.02 0.00 0.00 55.36 56.89 2j0m s GLN 418 Cb -0.10 -3.56 1.23 0.00 1.00 0.00 0.00 33.01 31.57 2j0m s GLN 418 CO -0.00 -0.33 1.87 -0.09 -2.12 0.00 0.00 175.29 174.61 2j0m h ARG 419 N 7.24 0.25 -0.97 2.91 2.43 -1.98 0.21 114.38 124.46 2j0m h ARG 419 Ca -0.29 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.14 2j0m h ARG 419 Cb 1.13 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 2j0m h ARG 419 CO 0.85 0.16 0.70 0.93 -1.51 0.00 0.00 179.97 181.11 2j0m h GLU 420 N 0.26 0.00 -0.16 0.20 3.07 -2.02 -0.48 114.58 115.44 2j0m h GLU 420 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2j0m h GLU 420 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2j0m h GLU 420 CO -0.12 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.03 2j0m n ARG 421 N -4.23 1.90 -4.06 2.33 1.74 0.74 -4.75 116.66 110.33 2j0m n ARG 421 Ca 0.20 -1.34 -0.34 0.00 -0.77 0.00 0.00 57.85 55.61 2j0m n ARG 421 Cb 1.04 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.89 2j0m n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2j0m s ILE 422 N -1.81 2.41 -0.37 0.55 -1.09 -0.19 -0.95 121.20 119.75 2j0m s ILE 422 Ca 0.34 -0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 57.74 2j0m s ILE 422 Cb 0.19 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2j0m s ILE 422 CO 0.29 0.48 0.45 -1.61 -1.23 0.00 0.00 174.94 173.32 2j0m s GLU 423 N 1.33 3.43 0.22 2.79 2.02 -0.44 -4.97 118.70 123.09 2j0m s GLU 423 Ca 0.05 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2j0m s GLU 423 Cb -0.14 -3.86 -0.09 0.00 0.10 0.00 0.00 34.13 30.14 2j0m s GLU 423 CO -0.10 -0.69 1.27 -1.17 0.02 0.00 0.00 175.26 174.59 2j0m s LEU 424 N 2.22 4.43 0.00 1.80 2.96 -1.26 -1.21 118.68 127.62 2j0m s LEU 424 Ca 0.15 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 2j0m s LEU 424 Cb -0.16 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.91 2j0m s LEU 424 CO 0.13 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 2j0m n GLY 425 N 2.01 5.75 3.38 7.98 0.00 0.25 -4.92 105.19 119.63 2j0m n GLY 425 Ca 0.04 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2j0m n GLY 425 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j0m n ARG 426 N 0.00 -0.40 -3.62 1.61 0.63 -1.23 -4.52 116.66 109.12 2j0m n ARG 426 Ca 0.00 -0.08 -0.38 0.00 -0.92 0.00 0.00 57.85 56.47 2j0m n ARG 426 Cb 0.00 -1.80 -0.06 0.00 0.45 0.00 0.00 32.46 31.05 2j0m n ARG 426 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j0m n ILE 428 N 1.91 0.00 -3.94 0.00 -5.35 0.22 -4.85 119.36 107.34 2j0m n ILE 428 Ca -0.16 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.05 2j0m n ILE 428 Cb 0.53 0.67 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 2j0m n ILE 428 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2j0m s GLY 429 N -1.20 0.46 -0.24 3.28 0.00 -0.99 -4.96 107.32 103.68 2j0m s GLY 429 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.95 2j0m s GLY 429 CO 0.00 -0.47 -0.09 -0.54 0.00 0.00 0.00 173.10 172.00 2j0m s GLU 430 N -3.56 1.95 0.01 2.90 2.02 -1.26 -1.59 118.70 119.16 2j0m s GLU 430 Ca 0.19 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2j0m s GLU 430 Cb -0.03 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2j0m s GLU 430 CO 0.10 -0.55 0.01 0.41 0.02 0.00 0.00 175.26 175.26 2j0m n GLY 431 N 4.59 0.42 2.87 -1.39 0.00 -1.23 -4.98 105.19 105.47 2j0m n GLY 431 Ca -0.13 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2j0m n GLY 431 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2j0m n GLN 432 N -1.02 3.61 0.00 1.61 -0.06 -1.26 -4.41 117.38 115.85 2j0m n GLN 432 Ca 0.00 -4.83 0.00 0.00 -2.00 0.00 0.00 57.00 50.18 2j0m n GLN 432 Cb 0.01 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 2j0m n GLN 432 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2j0m n PHE 433 N -0.16 -0.18 -3.59 3.69 3.01 -1.26 -5.11 117.46 113.86 2j0m n PHE 433 Ca 0.34 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.82 2j0m n PHE 433 Cb 0.37 0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2j0m n PHE 433 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2j0m s GLY 434 N -3.11 -0.45 0.78 1.37 0.00 -1.18 -1.52 107.32 103.20 2j0m s GLY 434 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 44.72 45.45 2j0m s GLY 434 CO 0.00 0.17 1.06 1.22 0.00 0.00 0.00 173.10 175.54 2j0m n ASP 435 N -0.48 0.62 -4.77 1.64 8.00 -1.26 -3.48 116.55 116.83 2j0m n ASP 435 Ca -0.09 0.61 -0.36 0.00 0.71 0.00 0.00 54.79 55.66 2j0m n ASP 435 Cb 0.63 -1.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 2j0m n ASP 435 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2j0m s VAL 436 N -2.00 5.30 0.18 2.53 1.01 -0.62 -2.13 120.40 124.67 2j0m s VAL 436 Ca 0.72 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.95 2j0m s VAL 436 Cb -0.31 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2j0m s VAL 436 CO 0.51 0.52 -0.19 -1.00 0.00 0.00 0.00 175.10 174.94 2j0m s HIS 437 N -0.24 2.42 0.13 5.22 3.76 0.15 0.70 115.29 127.43 2j0m s HIS 437 Ca 0.10 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 2j0m s HIS 437 Cb -0.12 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.31 2j0m s HIS 437 CO 0.01 0.49 0.47 -1.14 -0.85 0.00 0.00 174.74 173.73 2j0m s GLN 438 N -2.67 3.83 0.15 1.40 0.74 0.29 0.10 119.66 123.51 2j0m s GLN 438 Ca 0.22 0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.87 2j0m s GLN 438 Cb -0.08 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.14 2j0m s GLN 438 CO 0.11 0.48 0.26 0.41 -0.55 0.00 0.00 175.29 176.01 2j0m n GLY 439 N 0.63 2.09 3.30 2.59 0.00 0.82 -0.59 105.19 114.03 2j0m n GLY 439 Ca -0.05 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2j0m n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j0m s ILE 440 N -2.62 1.99 -0.27 -0.61 -1.09 -0.35 -2.04 121.20 116.21 2j0m s ILE 440 Ca 0.09 -1.12 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 2j0m s ILE 440 Cb -0.01 -1.66 0.07 0.00 -1.58 0.00 0.00 42.46 39.28 2j0m s ILE 440 CO 0.06 0.52 -0.06 -0.47 -1.23 0.00 0.00 174.94 173.76 2j0m s TYR 441 N -0.62 3.05 -1.26 3.97 5.04 0.29 -1.32 117.35 126.50 2j0m s TYR 441 Ca 0.10 -2.26 -0.19 0.00 -2.44 0.00 0.00 57.07 52.28 2j0m s TYR 441 Cb -0.10 -1.99 0.07 0.00 0.35 0.00 0.00 41.96 40.29 2j0m s TYR 441 CO -0.00 -0.86 1.70 -1.64 -1.34 0.00 0.00 175.55 173.40 2j0m s MET 442 N 1.17 3.92 0.55 4.97 -1.94 -0.13 -1.51 119.30 126.34 2j0m s MET 442 Ca -0.04 -1.86 -0.17 0.00 -1.71 0.00 0.00 55.69 51.91 2j0m s MET 442 Cb -0.19 -5.51 -0.06 0.00 2.01 0.00 0.00 34.83 31.08 2j0m s MET 442 CO -0.07 -2.26 1.03 0.45 -0.01 0.00 0.00 175.02 174.16 2j0m s SER 443 N 4.35 6.18 0.00 3.03 0.15 -1.26 -4.83 113.70 121.32 2j0m s SER 443 Ca 0.53 1.73 0.30 0.00 0.70 0.00 0.00 55.95 59.21 2j0m s SER 443 Cb 0.03 -2.53 1.57 0.00 -1.71 0.00 0.00 66.02 63.38 2j0m s SER 443 CO 0.05 -0.89 2.07 -0.81 1.20 0.00 0.00 173.24 174.86 2j0m n PRO 444 N -1.74 0.54 -0.03 5.44 -0.05 -1.26 -4.22 135.00 133.69 2j0m n PRO 444 Ca 0.08 -0.02 -0.07 0.00 -0.05 0.00 0.00 63.50 63.44 2j0m n PRO 444 Cb 0.53 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.43 2j0m n PRO 444 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 2j0m h GLU 445 N 0.05 -0.25 0.00 0.54 4.81 -1.98 -3.46 114.58 114.28 2j0m h GLU 445 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2j0m h GLU 445 Cb 0.24 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2j0m h GLU 445 CO 0.00 -0.16 0.00 -1.71 -0.73 0.00 0.00 179.01 176.41 2j0m n ASN 446 N -3.98 0.00 -1.65 1.04 5.15 -1.26 -5.18 115.26 109.39 2j0m n ASN 446 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2j0m n ASN 446 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2j0m n ASN 446 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2j0m n PRO 447 N 0.00 1.55 -2.01 1.20 -0.04 -1.26 -4.59 135.00 129.85 2j0m n PRO 447 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2j0m n PRO 447 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2j0m n PRO 447 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j0m s ALA 448 N -2.99 1.90 0.57 0.55 0.00 -1.26 -4.41 121.76 116.12 2j0m s ALA 448 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 2j0m s ALA 448 Cb 0.00 -4.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 2j0m s ALA 448 CO 0.00 -4.35 1.25 -1.17 0.00 0.00 0.00 175.76 171.49 2j0m s LEU 449 N 9.78 3.75 -0.32 0.00 2.96 -0.57 -4.77 118.68 129.50 2j0m s LEU 449 Ca 0.70 2.49 -0.11 0.00 -0.22 0.00 0.00 54.13 56.99 2j0m s LEU 449 Cb -0.10 -4.48 -0.01 0.00 0.50 0.00 0.00 46.19 42.09 2j0m s LEU 449 CO 0.12 -1.54 0.20 0.00 -1.32 0.00 0.00 176.35 173.81 2j0m s ALA 450 N -1.50 3.40 0.29 5.97 0.00 -1.26 -0.55 121.76 128.12 2j0m s ALA 450 Ca 0.75 -1.38 0.11 0.00 0.00 0.00 0.00 51.96 51.44 2j0m s ALA 450 Cb -0.33 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 2j0m s ALA 450 CO 0.37 -0.93 -0.10 0.14 0.00 0.00 0.00 175.76 175.25 2j0m s VAL 451 N 1.67 2.73 -0.11 0.00 -7.23 -0.87 -2.94 120.40 113.66 2j0m s VAL 451 Ca 0.05 -2.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.02 2j0m s VAL 451 Cb -0.17 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2j0m s VAL 451 CO 0.09 -0.33 0.01 0.00 -0.31 0.00 0.00 175.10 174.55 2j0m s ALA 452 N -2.47 3.30 -0.17 1.32 0.00 0.18 -0.13 121.76 123.78 2j0m s ALA 452 Ca 0.32 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2j0m s ALA 452 Cb -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.54 2j0m s ALA 452 CO 0.17 0.50 -0.19 0.42 0.00 0.00 0.00 175.76 176.66 2j0m s ILE 453 N -0.60 1.94 -0.18 0.00 1.01 0.28 -0.44 121.20 123.21 2j0m s ILE 453 Ca 0.10 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2j0m s ILE 453 Cb -0.12 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2j0m s ILE 453 CO 0.02 0.52 0.13 -0.75 0.00 0.00 0.00 174.94 174.86 2j0m s LYS 454 N 1.33 3.97 0.41 2.79 2.20 0.16 0.33 119.74 130.92 2j0m s LYS 454 Ca 0.05 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2j0m s LYS 454 Cb -0.13 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 2j0m s LYS 454 CO -0.12 0.43 0.02 0.95 -0.36 0.00 0.00 175.35 176.27 2j0m s THR 455 N -0.03 1.73 -0.03 3.43 -4.23 -0.91 -0.86 115.64 114.74 2j0m s THR 455 Ca 0.10 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2j0m s THR 455 Cb -0.11 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2j0m s THR 455 CO -0.00 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.99 2j0m h LYS 457 N 6.40 0.00 -1.55 0.00 1.57 -1.65 -3.38 116.57 117.97 2j0m h LYS 457 Ca -0.33 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.10 2j0m h LYS 457 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 2j0m h LYS 457 CO 0.49 0.91 0.42 0.09 -0.57 0.00 0.00 179.45 180.79 2j0m n ASN 458 N -4.59 6.50 -0.23 0.86 3.02 -1.26 -4.58 115.26 114.98 2j0m n ASN 458 Ca -0.13 -3.09 0.23 0.00 -0.03 0.00 0.00 54.58 51.56 2j0m n ASN 458 Cb 0.47 -1.07 0.59 0.00 -0.61 0.00 0.00 39.78 39.16 2j0m n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0m n THR 460 N -4.43 2.84 -3.65 0.00 5.66 -1.26 -4.63 114.28 108.80 2j0m n THR 460 Ca 0.20 -1.85 0.02 0.00 -3.05 0.00 0.00 64.05 59.37 2j0m n THR 460 Cb 0.82 -2.31 -0.06 0.00 -1.55 0.00 0.00 70.33 67.23 2j0m n THR 460 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2j0m s SER 461 N 3.36 -0.04 0.25 1.09 1.04 -1.12 -5.06 113.70 113.21 2j0m s SER 461 Ca 0.50 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 2j0m s SER 461 Cb 0.13 0.89 0.27 0.00 0.10 0.00 0.00 66.02 67.41 2j0m s SER 461 CO -0.02 -0.01 1.91 0.44 0.98 0.00 0.00 173.24 176.54 2j0m h ASP 462 N 4.83 1.09 0.20 7.02 3.32 -1.89 -2.99 116.42 128.00 2j0m h ASP 462 Ca -0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2j0m h ASP 462 Cb 1.16 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2j0m h ASP 462 CO 0.23 0.78 -0.10 0.77 -1.72 0.00 0.00 179.24 179.20 2j0m h SER 463 N 1.28 -0.23 -0.34 6.45 4.64 -1.96 -0.46 113.55 122.94 2j0m h SER 463 Ca 0.37 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2j0m h SER 463 Cb -0.10 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2j0m h SER 463 CO -0.09 -0.06 0.18 0.58 -0.87 0.00 0.00 176.83 176.58 2j0m h VAL 464 N -0.39 1.14 -0.10 0.95 2.07 -1.85 -2.88 116.25 115.19 2j0m h VAL 464 Ca -0.03 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2j0m h VAL 464 Cb 0.30 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2j0m h VAL 464 CO 0.05 0.14 0.01 -0.09 0.02 0.00 0.00 177.57 177.69 2j0m h ARG 465 N 0.42 0.04 -0.84 1.57 2.43 -1.47 0.81 114.38 117.34 2j0m h ARG 465 Ca 0.12 -0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.50 2j0m h ARG 465 Cb 0.06 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.46 2j0m h ARG 465 CO -0.02 0.03 0.09 0.93 -1.51 0.00 0.00 179.97 179.49 2j0m h GLU 466 N 0.04 0.12 0.05 0.20 5.08 -0.87 -0.04 114.58 119.17 2j0m h GLU 466 Ca 0.04 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2j0m h GLU 466 Cb 0.05 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2j0m h GLU 466 CO -0.07 0.08 -0.45 0.87 -1.00 0.00 0.00 179.01 178.44 2j0m h LYS 467 N 0.13 0.21 -0.69 2.33 6.56 -1.28 -2.87 116.57 120.96 2j0m h LYS 467 Ca 0.50 -0.30 0.14 0.00 -1.06 0.00 0.00 60.65 59.93 2j0m h LYS 467 Cb 0.95 0.10 -0.10 0.00 -0.57 0.00 0.00 32.23 32.61 2j0m h LYS 467 CO -0.71 1.08 0.16 0.35 -2.06 0.00 0.00 179.45 178.28 2j0m h PHE 468 N -0.52 0.25 -0.66 -1.35 3.57 -0.13 -1.10 116.94 117.00 2j0m h PHE 468 Ca -0.07 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 2j0m h PHE 468 Cb 1.29 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2j0m h PHE 468 CO 0.21 -0.06 0.12 1.25 -2.23 0.00 0.00 178.31 177.59 2j0m h LEU 469 N 0.27 1.04 -0.79 0.59 6.46 -1.12 -3.05 115.31 118.71 2j0m h LEU 469 Ca 0.38 -0.24 0.15 0.00 -0.12 0.00 0.00 57.88 58.05 2j0m h LEU 469 Cb 0.61 -0.27 -0.15 0.00 -0.73 0.00 0.00 40.66 40.12 2j0m h LEU 469 CO -0.47 1.02 -0.25 -0.61 -0.62 0.00 0.00 178.44 177.51 2j0m h GLN 470 N 1.02 -0.03 -0.91 1.25 5.75 -0.95 0.20 115.11 121.44 2j0m h GLN 470 Ca 0.20 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.88 2j0m h GLN 470 Cb 0.42 0.01 -0.17 0.00 1.07 0.00 0.00 27.48 28.81 2j0m h GLN 470 CO 0.01 -0.02 -0.24 0.39 -2.65 0.00 0.00 178.83 176.32 2j0m n GLU 471 N -5.51 -0.10 -0.08 1.69 1.02 -1.15 0.96 120.64 117.48 2j0m n GLU 471 Ca 0.10 1.41 -0.07 0.00 -0.02 0.00 0.00 57.16 58.59 2j0m n GLU 471 Cb 0.40 -2.11 0.11 0.00 -0.02 0.00 0.00 31.44 29.82 2j0m n GLU 471 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j0m h ALA 472 N 1.75 0.93 0.00 0.62 0.00 -0.80 -2.33 119.26 119.42 2j0m h ALA 472 Ca 0.42 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2j0m h ALA 472 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2j0m h ALA 472 CO -0.93 0.61 -0.25 1.25 0.00 0.00 0.00 179.25 179.93 2j0m h LEU 473 N 0.65 0.00 0.02 0.00 6.46 0.15 -2.30 115.31 120.30 2j0m h LEU 473 Ca 0.10 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2j0m h LEU 473 Cb 0.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2j0m h LEU 473 CO 0.05 0.25 -0.69 0.71 -0.62 0.00 0.00 178.44 178.14 2j0m h THR 474 N 0.00 1.34 -1.04 1.05 1.35 -0.59 -3.33 112.91 111.69 2j0m h THR 474 Ca -0.00 -2.29 0.30 0.00 -0.55 0.00 0.00 66.41 63.87 2j0m h THR 474 Cb 0.91 2.83 -0.04 0.00 -1.73 0.00 0.00 68.15 70.12 2j0m h THR 474 CO 0.03 0.50 0.95 0.24 -0.25 0.00 0.00 175.52 176.99 2j0m h MET 475 N -0.91 0.00 0.25 4.72 2.86 -1.37 0.32 114.93 120.80 2j0m h MET 475 Ca -0.18 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2j0m h MET 475 Cb 1.22 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 2j0m h MET 475 CO -0.08 0.00 -0.43 0.00 1.06 0.00 0.00 176.91 177.46 2j0m h ARG 476 N 0.00 -0.73 0.00 1.72 3.08 -1.52 -2.50 114.38 114.43 2j0m h ARG 476 Ca 0.50 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2j0m h ARG 476 Cb 2.39 0.17 0.00 0.00 0.08 0.00 0.00 29.97 32.61 2j0m h ARG 476 CO -0.01 -0.49 0.39 1.96 -1.07 0.00 0.00 179.97 180.76 2j0m h GLN 477 N -0.76 0.00 -5.43 0.04 4.20 -1.12 -3.41 115.11 108.63 2j0m h GLN 477 Ca -0.01 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.07 2j0m h GLN 477 Cb 0.73 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.41 2j0m h GLN 477 CO -0.17 0.00 -0.48 -0.06 -0.67 0.00 0.00 178.83 177.45 2j0m s PHE 478 N -3.39 3.49 -0.19 2.96 2.99 -0.94 -5.07 117.98 117.83 2j0m s PHE 478 Ca -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 56.93 57.29 2j0m s PHE 478 Cb 0.04 -2.07 0.07 0.00 0.00 0.00 0.00 43.02 41.05 2j0m s PHE 478 CO 0.12 0.48 0.09 0.34 -0.00 0.00 0.00 175.22 176.25 2j0m s ASP 479 N -0.22 2.57 -0.26 1.36 2.15 -1.26 -4.87 116.67 116.14 2j0m s ASP 479 Ca 0.11 -0.73 -0.20 0.00 0.43 0.00 0.00 52.55 52.15 2j0m s ASP 479 Cb -0.11 -0.28 0.07 0.00 -0.30 0.00 0.00 42.92 42.29 2j0m s ASP 479 CO 0.01 -0.36 0.68 -2.28 -0.17 0.00 0.00 175.17 173.04 2j0m s HIS 480 N 2.11 -0.87 0.48 -5.34 2.46 -1.26 -5.05 115.29 107.82 2j0m s HIS 480 Ca 0.03 1.94 0.24 0.00 0.47 0.00 0.00 55.06 57.74 2j0m s HIS 480 Cb -0.16 0.40 1.33 0.00 -0.13 0.00 0.00 32.58 34.03 2j0m s HIS 480 CO -0.13 -0.43 1.72 -1.35 -2.47 0.00 0.00 174.74 172.08 2j0m h PRO 481 N 5.88 0.00 0.00 2.88 0.11 -1.99 -2.58 132.00 136.30 2j0m h PRO 481 Ca -0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2j0m h PRO 481 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2j0m h PRO 481 CO 0.11 0.00 -0.25 0.72 -0.21 0.00 0.00 178.00 178.38 2j0m n HIS 482 N -2.65 0.00 -4.57 0.65 8.25 -1.26 -4.89 115.22 110.76 2j0m n HIS 482 Ca -0.02 -0.68 -0.29 0.00 -0.26 0.00 0.00 57.72 56.47 2j0m n HIS 482 Cb 0.38 -0.12 -0.17 0.00 1.12 0.00 0.00 29.99 31.20 2j0m n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2j0m s ILE 483 N -1.83 1.54 0.16 1.59 1.01 -0.97 0.59 121.20 123.30 2j0m s ILE 483 Ca 0.22 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 59.85 2j0m s ILE 483 Cb 0.20 -1.40 -0.14 0.00 0.01 0.00 0.00 42.46 41.13 2j0m s ILE 483 CO 0.00 0.45 1.47 1.33 0.00 0.00 0.00 174.94 178.19 2j0m n VAL 484 N 4.07 0.23 -2.29 2.92 0.24 -0.90 -4.63 118.33 117.97 2j0m n VAL 484 Ca -0.20 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.34 61.71 2j0m n VAL 484 Cb 0.51 -1.33 -0.01 0.00 -1.47 0.00 0.00 33.84 31.55 2j0m n VAL 484 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2j0m s LYS 485 N 0.49 3.49 -0.28 7.34 1.02 -1.26 -4.93 119.74 125.61 2j0m s LYS 485 Ca 0.78 1.40 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 2j0m s LYS 485 Cb -0.74 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2j0m s LYS 485 CO 0.43 -0.69 0.49 -1.17 -0.92 0.00 0.00 175.35 173.48 2j0m s LEU 486 N -3.90 4.11 -0.10 3.17 2.96 -1.26 -2.79 118.68 120.86 2j0m s LEU 486 Ca 0.68 0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 54.71 2j0m s LEU 486 Cb -0.19 -2.60 -0.28 0.00 0.50 0.00 0.00 46.19 43.63 2j0m s LEU 486 CO 0.27 -0.31 0.74 0.40 -1.32 0.00 0.00 176.35 176.13 2j0m h ILE 487 N 5.45 1.48 -1.23 6.68 2.04 -1.29 -3.49 117.51 127.15 2j0m h ILE 487 Ca -0.29 -2.42 0.07 0.00 1.00 0.00 0.00 64.86 63.22 2j0m h ILE 487 Cb 1.14 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 40.31 2j0m h ILE 487 CO 0.71 0.64 0.19 0.61 0.00 0.00 0.00 178.15 180.30 2j0m n GLY 488 N 1.64 0.40 2.93 5.37 0.00 0.18 -4.93 105.19 110.78 2j0m n GLY 488 Ca -0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 2j0m n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j0m s VAL 489 N -2.04 0.46 -0.45 1.61 -7.23 0.23 0.12 120.40 113.09 2j0m s VAL 489 Ca 0.06 -0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.91 2j0m s VAL 489 Cb -0.00 -0.43 0.06 0.00 0.56 0.00 0.00 36.38 36.57 2j0m s VAL 489 CO -0.00 0.16 0.35 -0.63 -0.31 0.00 0.00 175.10 174.67 2j0m s ILE 490 N 0.30 5.10 -1.31 -0.62 1.01 -0.00 -0.68 121.20 125.00 2j0m s ILE 490 Ca -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.69 2j0m s ILE 490 Cb -0.07 -4.00 0.34 0.00 0.01 0.00 0.00 42.46 38.73 2j0m s ILE 490 CO -0.00 -0.50 1.15 0.35 0.00 0.00 0.00 174.94 175.94 2j0m n THR 491 N 5.16 0.86 -4.84 2.92 -2.24 -1.26 -1.09 114.28 113.79 2j0m n THR 491 Ca -0.12 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 2j0m n THR 491 Cb 0.44 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.44 2j0m n THR 491 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2j0m s GLU 492 N -1.68 2.07 0.19 -0.78 2.02 -1.26 -4.88 118.70 114.39 2j0m s GLU 492 Ca 0.24 -0.97 -0.32 0.00 0.02 0.00 0.00 54.97 53.94 2j0m s GLU 492 Cb 0.15 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 32.13 2j0m s GLU 492 CO 0.11 0.55 1.65 -0.80 0.02 0.00 0.00 175.26 176.79 2j0m s ASN 493 N -1.18 6.47 -0.02 -0.19 -0.87 -1.26 -2.95 114.94 114.94 2j0m s ASN 493 Ca 0.13 2.76 -0.30 0.00 -1.57 0.00 0.00 52.86 53.88 2j0m s ASN 493 Cb -0.10 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.50 2j0m s ASN 493 CO 0.03 -0.91 1.01 -2.84 -2.57 0.00 0.00 177.10 171.82 2j0m s PRO 494 N 1.14 4.52 0.30 -0.60 0.02 -1.26 -5.12 135.00 134.00 2j0m s PRO 494 Ca 0.73 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2j0m s PRO 494 Cb -0.47 -3.47 -0.11 0.00 0.02 0.00 0.00 34.50 30.47 2j0m s PRO 494 CO 0.32 -0.13 1.44 0.08 -0.33 0.00 0.00 177.00 178.38 2j0m s VAL 495 N 1.26 2.44 -0.01 3.83 1.01 -1.15 -4.92 120.40 122.86 2j0m s VAL 495 Ca 0.52 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2j0m s VAL 495 Cb -0.21 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2j0m s VAL 495 CO 0.26 0.08 -0.14 0.26 0.00 0.00 0.00 175.10 175.56 2j0m s TRP 496 N -0.50 1.27 -0.25 5.22 0.51 -0.25 -3.54 118.94 121.40 2j0m s TRP 496 Ca 0.56 -0.26 -0.06 0.00 -2.12 0.00 0.00 56.10 54.22 2j0m s TRP 496 Cb -0.43 -0.83 -0.02 0.00 -0.81 0.00 0.00 33.47 31.38 2j0m s TRP 496 CO 0.50 -0.04 0.04 0.42 -0.51 0.00 0.00 176.95 177.37 2j0m s ILE 497 N -0.26 4.07 -0.23 2.03 1.01 -0.04 -0.82 121.20 126.96 2j0m s ILE 497 Ca 0.04 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 2j0m s ILE 497 Cb -0.06 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 2j0m s ILE 497 CO -0.00 0.34 0.17 -0.63 0.00 0.00 0.00 174.94 174.82 2j0m s ILE 498 N 1.58 5.36 0.23 2.92 -1.09 0.32 -0.67 121.20 129.84 2j0m s ILE 498 Ca 0.06 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.67 2j0m s ILE 498 Cb -0.15 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2j0m s ILE 498 CO 0.02 0.35 0.24 0.00 -1.23 0.00 0.00 174.94 174.32 2j0m s MET 499 N 0.98 1.36 0.34 2.79 0.23 0.41 -0.65 119.30 124.76 2j0m s MET 499 Ca 0.08 -1.58 -0.27 0.00 -1.03 0.00 0.00 55.69 52.90 2j0m s MET 499 Cb -0.13 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.40 2j0m s MET 499 CO 0.04 -0.49 1.06 -1.83 -2.03 0.00 0.00 175.02 171.78 2j0m s GLU 500 N -4.02 4.41 -0.19 3.16 -1.05 -1.12 0.49 118.70 120.38 2j0m s GLU 500 Ca 0.35 1.63 -0.22 0.00 -0.15 0.00 0.00 54.97 56.58 2j0m s GLU 500 Cb 0.05 -2.86 -0.02 0.00 -0.44 0.00 0.00 34.13 30.85 2j0m s GLU 500 CO 0.13 0.05 0.71 -1.17 0.95 0.00 0.00 175.26 175.92 2j0m s LEU 501 N -2.05 4.16 -0.87 1.83 2.96 -1.15 -4.37 118.68 119.18 2j0m s LEU 501 Ca 0.51 0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 55.18 2j0m s LEU 501 Cb -0.26 -3.02 0.10 0.00 0.50 0.00 0.00 46.19 43.51 2j0m s LEU 501 CO 0.34 -0.32 1.13 0.00 -1.32 0.00 0.00 176.35 176.18 2j0m h THR 503 N 6.01 1.05 -0.16 0.00 2.02 -1.78 -0.96 112.91 119.08 2j0m h THR 503 Ca 0.05 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2j0m h THR 503 Cb 1.03 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2j0m h THR 503 CO 1.17 0.07 0.00 0.18 0.37 0.00 0.00 175.52 177.31 2j0m n LEU 504 N -4.49 1.11 0.00 2.58 4.77 -0.81 -5.00 117.00 115.16 2j0m n LEU 504 Ca 0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2j0m n LEU 504 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2j0m n LEU 504 CO 0.35 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2j0m n GLY 505 N 0.92 -0.96 3.75 -0.72 0.00 -0.36 -4.60 105.19 103.22 2j0m n GLY 505 Ca 0.11 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2j0m n GLY 505 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j0m s GLU 506 N 0.00 4.63 0.23 1.61 -1.05 -1.26 0.06 118.70 122.92 2j0m s GLU 506 Ca 0.00 1.74 -0.07 0.00 -0.15 0.00 0.00 54.97 56.49 2j0m s GLU 506 Cb 0.00 -3.24 0.32 0.00 -0.44 0.00 0.00 34.13 30.77 2j0m s GLU 506 CO 0.00 0.17 1.80 1.25 0.95 0.00 0.00 175.26 179.43 2j0m h LEU 507 N 4.49 0.56 -0.67 1.83 5.85 -1.43 -1.17 115.31 124.78 2j0m h LEU 507 Ca -0.45 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2j0m h LEU 507 Cb 1.21 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2j0m h LEU 507 CO 0.70 0.34 0.43 0.03 -0.34 0.00 0.00 178.44 179.60 2j0m h ARG 508 N 0.70 0.84 -0.02 1.25 3.08 -1.85 0.76 114.38 119.14 2j0m h ARG 508 Ca 0.34 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.20 2j0m h ARG 508 Cb 0.29 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2j0m h ARG 508 CO -0.23 0.55 -0.67 1.03 -1.07 0.00 0.00 179.97 179.58 2j0m h SER 509 N 0.86 0.09 -0.07 7.04 0.87 -1.82 -1.66 113.55 118.86 2j0m h SER 509 Ca 0.26 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2j0m h SER 509 Cb -0.05 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2j0m h SER 509 CO -0.08 0.73 -0.00 0.15 -0.53 0.00 0.00 176.83 177.10 2j0m h PHE 510 N 0.05 0.14 -0.42 2.24 3.57 -0.16 -2.69 116.94 119.68 2j0m h PHE 510 Ca -0.01 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 2j0m h PHE 510 Cb 1.20 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2j0m h PHE 510 CO 0.01 0.42 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.39 2j0m h LEU 511 N -0.17 0.76 -0.19 0.59 3.38 -0.82 -2.72 115.31 116.14 2j0m h LEU 511 Ca 0.02 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2j0m h LEU 511 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2j0m h LEU 511 CO 0.00 0.91 0.06 1.56 0.09 0.00 0.00 178.44 181.06 2j0m h GLN 512 N 0.59 0.14 -0.98 1.13 4.20 -1.32 0.25 115.11 119.13 2j0m h GLN 512 Ca 0.11 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2j0m h GLN 512 Cb 0.55 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 2j0m h GLN 512 CO 0.03 0.09 0.63 0.28 -0.67 0.00 0.00 178.83 179.20 2j0m h VAL 513 N 0.15 1.26 -0.53 -0.54 2.07 -1.49 -3.05 116.25 114.11 2j0m h VAL 513 Ca 0.08 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2j0m h VAL 513 Cb 0.05 -0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 29.57 2j0m h VAL 513 CO -0.09 0.25 0.12 0.54 0.02 0.00 0.00 177.57 178.42 2j0m n ARG 514 N -4.37 3.26 -0.38 1.57 1.74 -0.78 -4.71 116.66 112.99 2j0m n ARG 514 Ca 0.11 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 2j0m n ARG 514 Cb 0.03 -2.05 0.06 0.00 -1.02 0.00 0.00 32.46 29.47 2j0m n ARG 514 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2j0m n LYS 515 N -0.38 -0.21 -0.55 5.56 4.81 0.82 -1.65 118.16 126.57 2j0m n LYS 515 Ca 0.33 1.52 0.08 0.00 -0.87 0.00 0.00 58.31 59.37 2j0m n LYS 515 Cb 1.18 -2.26 0.31 0.00 0.02 0.00 0.00 35.03 34.28 2j0m n LYS 515 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2j0m n TYR 516 N -5.48 1.32 -0.36 5.64 4.01 -1.26 -4.09 117.16 116.93 2j0m n TYR 516 Ca 0.11 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 2j0m n TYR 516 Cb 0.41 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2j0m n TYR 516 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2j0m n SER 517 N 0.90 0.54 -4.39 7.72 3.41 -0.66 -5.02 113.62 116.13 2j0m n SER 517 Ca 0.22 -0.93 -0.34 0.00 -0.26 0.00 0.00 58.87 57.56 2j0m n SER 517 Cb 0.80 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.67 2j0m n SER 517 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2j0m s LEU 518 N -0.11 2.98 0.68 1.04 1.43 -0.99 -5.11 118.68 118.60 2j0m s LEU 518 Ca 0.00 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2j0m s LEU 518 Cb 0.00 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 2j0m s LEU 518 CO 0.00 0.08 1.05 1.51 0.23 0.00 0.00 176.35 179.23 2j0m s ASP 519 N 0.88 5.63 0.23 2.29 -4.77 -1.26 -4.93 116.67 114.74 2j0m s ASP 519 Ca -0.01 1.48 -0.06 0.00 -3.30 0.00 0.00 52.55 50.66 2j0m s ASP 519 Cb -0.15 -2.40 0.39 0.00 -1.09 0.00 0.00 42.92 39.67 2j0m s ASP 519 CO 0.01 -1.26 1.74 0.25 0.70 0.00 0.00 175.17 176.61 2j0m h LEU 520 N -0.59 0.28 -0.88 2.11 5.85 -1.99 -1.96 115.31 118.13 2j0m h LEU 520 Ca -0.44 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2j0m h LEU 520 Cb 1.21 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2j0m h LEU 520 CO 0.59 0.13 0.52 0.00 -0.34 0.00 0.00 178.44 179.35 2j0m h ALA 521 N 1.50 1.30 -0.37 1.25 0.00 -1.93 0.18 119.26 121.18 2j0m h ALA 521 Ca 0.38 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 2j0m h ALA 521 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2j0m h ALA 521 CO -0.36 0.12 -0.14 0.77 0.00 0.00 0.00 179.25 179.63 2j0m h SER 522 N 0.83 0.77 -0.19 0.00 0.02 -1.75 0.12 113.55 113.36 2j0m h SER 522 Ca 0.44 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2j0m h SER 522 Cb 0.44 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2j0m h SER 522 CO -0.27 0.98 0.09 -0.07 -1.14 0.00 0.00 176.83 176.42 2j0m h LEU 523 N 0.55 0.12 -1.58 5.07 3.38 -0.85 -0.62 115.31 121.38 2j0m h LEU 523 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2j0m h LEU 523 Cb 0.68 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2j0m h LEU 523 CO 0.05 0.10 -0.12 0.40 0.09 0.00 0.00 178.44 178.96 2j0m h ILE 524 N 0.19 1.13 -0.23 1.22 1.08 -0.54 -2.52 117.51 117.84 2j0m h ILE 524 Ca 0.08 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 2j0m h ILE 524 Cb 0.03 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2j0m h ILE 524 CO -0.07 0.18 0.08 0.25 -0.69 0.00 0.00 178.15 177.91 2j0m h LEU 525 N 0.12 0.33 0.29 1.44 5.85 0.57 -1.47 115.31 122.44 2j0m h LEU 525 Ca 0.03 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2j0m h LEU 525 Cb 0.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2j0m h LEU 525 CO 0.02 0.43 -0.19 1.88 -0.34 0.00 0.00 178.44 180.23 2j0m h TYR 526 N 0.21 -0.50 -0.63 1.25 0.05 -0.80 0.71 116.97 117.26 2j0m h TYR 526 Ca 0.08 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.97 2j0m h TYR 526 Cb 0.21 0.18 -0.12 0.00 1.01 0.00 0.00 36.73 38.01 2j0m h TYR 526 CO -0.00 -0.30 -0.26 0.00 -1.05 0.00 0.00 178.16 176.55 2j0m h ALA 527 N 0.21 0.18 -0.02 3.88 0.00 -1.41 0.19 119.26 122.29 2j0m h ALA 527 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2j0m h ALA 527 Cb 0.40 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2j0m h ALA 527 CO 0.02 -0.56 -0.05 -0.92 0.00 0.00 0.00 179.25 177.74 2j0m h TYR 528 N -0.09 -0.13 -0.19 0.00 3.20 -0.76 -0.93 116.97 118.06 2j0m h TYR 528 Ca 0.28 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.20 2j0m h TYR 528 Cb 0.53 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 2j0m h TYR 528 CO -0.60 -0.09 -0.15 1.96 -1.64 0.00 0.00 178.16 177.65 2j0m h GLN 529 N -0.08 -0.14 -1.06 1.82 4.20 0.14 0.70 115.11 120.68 2j0m h GLN 529 Ca 0.03 0.01 0.29 0.00 0.06 0.00 0.00 58.65 59.05 2j0m h GLN 529 Cb 0.13 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 2j0m h GLN 529 CO -0.08 -0.10 0.66 -0.07 -0.67 0.00 0.00 178.83 178.58 2j0m h LEU 530 N -0.15 0.49 0.00 1.46 -0.00 -0.35 -0.04 115.31 116.71 2j0m h LEU 530 Ca 0.12 0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 57.98 2j0m h LEU 530 Cb 0.32 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2j0m h LEU 530 CO -0.28 0.01 -0.67 0.77 -0.00 0.00 0.00 178.44 178.27 2j0m h SER 531 N 0.38 0.00 -0.48 -0.43 4.64 0.49 -1.69 113.55 116.46 2j0m h SER 531 Ca 0.66 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.92 2j0m h SER 531 Cb 1.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.69 2j0m h SER 531 CO -0.41 0.65 0.06 0.71 -0.87 0.00 0.00 176.83 176.97 2j0m h THR 532 N 0.00 1.25 0.22 2.95 1.35 0.41 0.44 112.91 119.54 2j0m h THR 532 Ca -0.01 -0.95 0.01 0.00 -0.55 0.00 0.00 66.41 64.91 2j0m h THR 532 Cb 1.50 0.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.83 2j0m h THR 532 CO 0.08 0.34 -0.40 0.00 -0.25 0.00 0.00 175.52 175.29 2j0m h ALA 533 N 0.95 -0.77 -0.34 6.62 0.00 -1.27 0.71 119.26 125.17 2j0m h ALA 533 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2j0m h ALA 533 Cb 0.42 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2j0m h ALA 533 CO 0.01 -0.99 -0.11 -0.07 0.00 0.00 0.00 179.25 178.10 2j0m h LEU 534 N -0.70 0.57 -0.39 0.00 3.38 -1.22 -0.86 115.31 116.10 2j0m h LEU 534 Ca 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2j0m h LEU 534 Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2j0m h LEU 534 CO -0.17 0.72 0.11 0.00 0.09 0.00 0.00 178.44 179.19 2j0m h ALA 535 N 1.34 0.51 -0.49 1.53 0.00 -0.84 -1.63 119.26 119.68 2j0m h ALA 535 Ca 0.10 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2j0m h ALA 535 Cb 0.52 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2j0m h ALA 535 CO 0.03 0.17 -0.03 -0.92 0.00 0.00 0.00 179.25 178.50 2j0m h TYR 536 N 0.48 -0.08 -0.57 0.00 5.03 -0.20 -2.15 116.97 119.47 2j0m h TYR 536 Ca 0.12 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.38 2j0m h TYR 536 Cb 0.29 0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2j0m h TYR 536 CO 0.01 -0.13 0.02 -0.07 -1.32 0.00 0.00 178.16 176.67 2j0m h LEU 537 N 0.09 0.95 -0.90 2.82 3.38 -0.91 -2.65 115.31 118.09 2j0m h LEU 537 Ca 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2j0m h LEU 537 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2j0m h LEU 537 CO -0.43 1.00 0.19 1.05 0.09 0.00 0.00 178.44 180.34 2j0m h GLU 538 N 0.90 1.00 0.00 1.13 4.11 -0.98 -0.13 114.58 120.61 2j0m h GLU 538 Ca 0.17 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2j0m h GLU 538 Cb 0.51 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2j0m h GLU 538 CO 0.02 0.87 0.02 -1.13 0.07 0.00 0.00 179.01 178.86 2j0m n SER 539 N -4.26 0.40 -0.69 3.06 3.41 -0.84 0.15 113.62 114.85 2j0m n SER 539 Ca 0.05 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 2j0m n SER 539 Cb 0.22 -0.72 0.19 0.00 -0.26 0.00 0.00 64.21 63.64 2j0m n SER 539 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2j0m n LYS 540 N -2.05 2.82 -1.02 4.33 5.02 -0.17 -4.98 118.16 122.12 2j0m n LYS 540 Ca -0.01 -2.41 -0.05 0.00 -2.02 0.00 0.00 58.31 53.82 2j0m n LYS 540 Cb 0.05 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 2j0m n LYS 540 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j0m n ARG 541 N -0.12 -1.79 -3.29 1.97 1.74 0.12 -4.95 116.66 110.34 2j0m n ARG 541 Ca 0.16 0.59 -0.39 0.00 -0.77 0.00 0.00 57.85 57.44 2j0m n ARG 541 Cb 0.64 -4.75 -0.07 0.00 -1.02 0.00 0.00 32.46 27.26 2j0m n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2j0m s PHE 542 N -1.33 3.42 -0.24 -1.55 2.19 -0.59 -4.97 117.98 114.91 2j0m s PHE 542 Ca 0.00 0.78 -0.11 0.00 0.33 0.00 0.00 56.93 57.93 2j0m s PHE 542 Cb 0.00 -2.61 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 2j0m s PHE 542 CO 0.00 0.00 0.20 0.08 1.83 0.00 0.00 175.22 177.33 2j0m s VAL 543 N 1.25 5.33 -0.03 3.12 1.01 -1.26 -4.29 120.40 125.54 2j0m s VAL 543 Ca 0.24 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 2j0m s VAL 543 Cb -0.15 -3.54 -0.20 0.00 0.00 0.00 0.00 36.38 32.48 2j0m s VAL 543 CO 0.09 0.32 1.21 -0.74 0.00 0.00 0.00 175.10 175.99 2j0m h HIS 544 N 7.53 0.07 0.00 5.22 2.76 -1.96 -3.48 115.15 125.29 2j0m h HIS 544 Ca -0.37 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2j0m h HIS 544 Cb 1.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2j0m h HIS 544 CO 0.68 0.61 0.00 0.54 -1.30 0.00 0.00 177.93 178.45 2j0m n ARG 545 N -4.77 0.00 -2.72 5.26 1.74 -1.26 -4.84 116.66 110.08 2j0m n ARG 545 Ca -0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 2j0m n ARG 545 Cb 0.31 -2.03 0.10 0.00 -1.02 0.00 0.00 32.46 29.82 2j0m n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2j0m n ASP 546 N 0.00 -2.17 -4.68 0.55 4.64 -1.26 -5.05 116.55 108.58 2j0m n ASP 546 Ca 0.00 -3.25 -0.42 0.00 -1.38 0.00 0.00 54.79 49.74 2j0m n ASP 546 Cb 0.00 1.62 -0.03 0.00 -1.04 0.00 0.00 41.12 41.67 2j0m n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2j0m s ILE 547 N 0.24 4.35 -0.12 5.18 1.09 -1.26 -4.80 121.20 125.88 2j0m s ILE 547 Ca 0.22 1.66 -0.31 0.00 -1.10 0.00 0.00 60.65 61.12 2j0m s ILE 547 Cb 0.32 -4.07 0.13 0.00 -1.06 0.00 0.00 42.46 37.78 2j0m s ILE 547 CO -0.07 -0.04 1.04 0.00 -0.10 0.00 0.00 174.94 175.78 2j0m s ALA 548 N 2.49 -1.94 0.24 9.38 0.00 -1.26 -4.54 121.76 126.13 2j0m s ALA 548 Ca 0.54 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.87 2j0m s ALA 548 Cb -0.23 -0.24 0.41 0.00 0.00 0.00 0.00 23.12 23.07 2j0m s ALA 548 CO 0.19 -0.50 1.76 0.00 0.00 0.00 0.00 175.76 177.21 2j0m h ALA 549 N 2.19 1.07 0.00 0.00 0.00 -1.93 -1.08 119.26 119.51 2j0m h ALA 549 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2j0m h ALA 549 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2j0m h ALA 549 CO 0.28 -0.09 0.12 0.07 0.00 0.00 0.00 179.25 179.63 2j0m h ARG 550 N 0.57 0.00 -0.59 0.00 0.11 -1.96 0.34 114.38 112.85 2j0m h ARG 550 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2j0m h ARG 550 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2j0m h ARG 550 CO -0.32 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.84 2j0m n ASN 551 N -2.89 4.80 -4.34 0.08 3.02 -0.41 -4.90 115.26 110.63 2j0m n ASN 551 Ca -0.02 -2.56 -0.34 0.00 -0.03 0.00 0.00 54.58 51.63 2j0m n ASN 551 Cb 0.18 -0.58 -0.14 0.00 -0.61 0.00 0.00 39.78 38.62 2j0m n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j0m s VAL 552 N -2.06 3.13 0.13 2.41 1.01 0.12 -1.92 120.40 123.22 2j0m s VAL 552 Ca 0.50 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2j0m s VAL 552 Cb 0.34 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2j0m s VAL 552 CO 0.21 0.49 0.08 -0.76 0.00 0.00 0.00 175.10 175.13 2j0m s LEU 553 N 0.81 3.70 -0.26 3.92 1.43 0.34 -1.46 118.68 127.17 2j0m s LEU 553 Ca -0.03 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2j0m s LEU 553 Cb -0.15 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2j0m s LEU 553 CO 0.01 0.12 0.09 -0.69 0.23 0.00 0.00 176.35 176.11 2j0m s VAL 554 N -1.58 4.50 -0.10 -1.59 1.01 0.11 -0.72 120.40 122.04 2j0m s VAL 554 Ca 0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 2j0m s VAL 554 Cb -0.11 -3.12 -0.28 0.00 0.00 0.00 0.00 36.38 32.88 2j0m s VAL 554 CO 0.22 0.31 0.48 -1.28 0.00 0.00 0.00 175.10 174.83 2j0m h SER 555 N 8.27 0.47 -5.51 3.32 0.87 -0.94 -2.14 113.55 117.88 2j0m h SER 555 Ca -0.38 -0.92 -0.27 0.00 -1.23 0.00 0.00 61.79 58.99 2j0m h SER 555 Cb 1.18 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 2j0m h SER 555 CO 0.57 1.80 -0.17 -0.55 -0.53 0.00 0.00 176.83 177.95 2j0m s SER 556 N -7.12 0.89 0.18 6.23 0.15 -0.58 -4.47 113.70 108.98 2j0m s SER 556 Ca -0.20 -1.48 -0.15 0.00 0.70 0.00 0.00 55.95 54.82 2j0m s SER 556 Cb 0.06 0.67 0.14 0.00 -1.71 0.00 0.00 66.02 65.18 2j0m s SER 556 CO 0.79 -1.31 1.69 0.78 1.20 0.00 0.00 173.24 176.38 2j0m h ASN 557 N 2.10 -0.22 -0.93 5.45 -0.26 -2.02 -2.71 115.58 116.98 2j0m h ASN 557 Ca -0.28 0.11 -0.48 0.00 -0.56 0.00 0.00 56.30 55.09 2j0m h ASN 557 Cb 1.24 0.20 -0.29 0.00 -1.06 0.00 0.00 38.32 38.41 2j0m h ASN 557 CO 0.39 -0.07 0.58 -0.90 -1.06 0.00 0.00 177.43 176.36 2j0m n ASP 558 N -5.23 3.67 -3.15 5.81 3.85 -1.26 -4.87 116.55 115.37 2j0m n ASP 558 Ca 0.04 -3.61 0.04 0.00 -0.71 0.00 0.00 54.79 50.55 2j0m n ASP 558 Cb 0.24 -0.82 -0.01 0.00 -1.35 0.00 0.00 41.12 39.18 2j0m n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2j0m s VAL 560 N 2.86 4.20 0.01 0.00 -7.23 -1.26 -0.27 120.40 118.70 2j0m s VAL 560 Ca 0.19 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2j0m s VAL 560 Cb -0.14 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 2j0m s VAL 560 CO -0.22 -0.21 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.78 2j0m s LYS 561 N -3.35 0.36 0.00 4.82 1.02 0.11 -4.59 119.74 118.11 2j0m s LYS 561 Ca 0.31 -0.37 -0.22 0.00 0.02 0.00 0.00 55.97 55.71 2j0m s LYS 561 Cb -0.09 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.94 2j0m s LYS 561 CO 0.22 0.05 0.64 -1.17 -0.92 0.00 0.00 175.35 174.18 2j0m s LEU 562 N -0.68 4.41 0.35 3.17 0.20 0.20 -0.50 118.68 125.83 2j0m s LEU 562 Ca -0.04 1.22 0.07 0.00 0.69 0.00 0.00 54.13 56.07 2j0m s LEU 562 Cb -0.05 -3.00 -0.07 0.00 -0.43 0.00 0.00 46.19 42.64 2j0m s LEU 562 CO -0.00 0.06 -0.02 -0.83 -0.29 0.00 0.00 176.35 175.27 2j0m s GLY 563 N -0.07 2.21 0.00 7.98 0.00 -0.81 -2.13 107.32 114.50 2j0m s GLY 563 Ca 0.33 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2j0m s GLY 563 CO 0.18 -1.97 0.00 1.34 0.00 0.00 0.00 173.10 172.65 2j0m n ASP 564 N -0.79 0.00 -3.92 1.64 4.64 -1.26 -4.87 116.55 111.99 2j0m n ASP 564 Ca -0.05 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.06 2j0m n ASP 564 Cb 0.65 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.58 2j0m n ASP 564 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2j0m s PHE 565 N -2.83 3.02 0.09 -0.67 0.40 -1.26 -5.05 117.98 111.67 2j0m s PHE 565 Ca 0.00 -2.53 0.04 0.00 -0.60 0.00 0.00 56.93 53.84 2j0m s PHE 565 Cb 0.00 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2j0m s PHE 565 CO 0.00 -0.92 -0.11 0.20 0.70 0.00 0.00 175.22 175.09 2j0m s GLY 566 N 1.16 0.84 -0.20 4.36 0.00 -1.26 -4.60 107.32 107.62 2j0m s GLY 566 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2j0m s GLY 566 CO -0.14 -1.20 -0.17 1.08 0.00 0.00 0.00 173.10 172.68 2j0m s LEU 567 N -2.28 2.39 -0.05 0.66 1.02 -1.26 -5.07 118.68 114.10 2j0m s LEU 567 Ca 0.03 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.52 2j0m s LEU 567 Cb -0.05 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.65 2j0m s LEU 567 CO 0.01 -0.02 -0.11 -0.76 0.02 0.00 0.00 176.35 175.48 2j0m s LEU 584 N 1.30 1.67 -1.38 1.79 1.43 -1.26 -5.12 118.68 117.11 2j0m s LEU 584 Ca 0.04 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2j0m s LEU 584 Cb -0.14 -0.71 0.09 0.00 0.03 0.00 0.00 46.19 45.46 2j0m s LEU 584 CO -0.11 0.05 2.21 -0.81 0.23 0.00 0.00 176.35 177.92 2j0m n PRO 585 N 3.62 3.60 -0.24 1.29 -0.04 -1.26 -4.78 135.00 137.18 2j0m n PRO 585 Ca -0.21 -3.08 0.03 0.00 -0.04 0.00 0.00 63.50 60.19 2j0m n PRO 585 Cb 0.52 -2.96 0.15 0.00 -0.04 0.00 0.00 33.50 31.18 2j0m n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2j0m h ILE 586 N 3.51 0.73 0.00 0.52 1.08 -1.98 -1.81 117.51 119.56 2j0m h ILE 586 Ca 0.56 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 2j0m h ILE 586 Cb 0.53 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2j0m h ILE 586 CO 1.70 0.08 0.00 0.29 -0.69 0.00 0.00 178.15 179.53 2j0m n LYS 587 N -4.97 0.06 -0.01 2.37 5.02 -1.26 -1.98 118.16 117.38 2j0m n LYS 587 Ca 0.12 0.43 0.07 0.00 -2.02 0.00 0.00 58.31 56.91 2j0m n LYS 587 Cb 0.34 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 2j0m n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2j0m n TRP 588 N -1.77 0.00 -2.99 2.13 8.01 -0.70 -4.90 117.44 117.22 2j0m n TRP 588 Ca 0.01 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.83 2j0m n TRP 588 Cb 0.10 -0.37 -0.06 0.00 -2.01 0.00 0.00 31.31 28.97 2j0m n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2j0m s MET 589 N -3.05 4.41 0.60 -0.99 -1.94 -0.84 -4.13 119.30 113.37 2j0m s MET 589 Ca -0.06 1.05 -0.20 0.00 -1.71 0.00 0.00 55.69 54.78 2j0m s MET 589 Cb 0.10 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 2j0m s MET 589 CO 0.64 0.40 1.32 0.00 -0.01 0.00 0.00 175.02 177.37 2j0m s ALA 590 N -1.47 2.57 0.19 3.03 0.00 -1.26 -4.86 121.76 119.95 2j0m s ALA 590 Ca 0.43 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 2j0m s ALA 590 Cb -0.19 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.53 2j0m s ALA 590 CO 0.23 -1.48 1.62 -1.35 0.00 0.00 0.00 175.76 174.78 2j0m h PRO 591 N 0.94 -0.09 -0.20 0.00 0.11 -1.95 -0.74 132.00 130.08 2j0m h PRO 591 Ca -0.51 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.66 2j0m h PRO 591 Cb 1.32 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2j0m h PRO 591 CO 0.55 -0.06 0.19 1.05 -0.21 0.00 0.00 178.00 179.52 2j0m h GLU 592 N -0.09 0.00 -0.05 1.05 9.09 -1.89 0.49 114.58 123.18 2j0m h GLU 592 Ca 0.24 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.50 2j0m h GLU 592 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 2j0m h GLU 592 CO -0.57 0.00 -0.62 0.77 0.05 0.00 0.00 179.01 178.64 2j0m h SER 593 N 0.00 0.22 0.00 3.06 0.02 -1.20 -1.05 113.55 114.60 2j0m h SER 593 Ca 0.09 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2j0m h SER 593 Cb 0.47 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2j0m h SER 593 CO -0.00 0.78 -0.00 0.40 -1.14 0.00 0.00 176.83 176.87 2j0m h ILE 594 N 0.14 1.73 0.36 3.27 2.04 0.09 -2.95 117.51 122.18 2j0m h ILE 594 Ca -0.01 -2.14 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 2j0m h ILE 594 Cb 1.13 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 2j0m h ILE 594 CO 0.09 0.55 -0.17 0.78 0.00 0.00 0.00 178.15 179.41 2j0m h ASN 595 N -0.91 -0.40 0.00 1.72 2.35 -0.48 -3.38 115.58 114.47 2j0m h ASN 595 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2j0m h ASN 595 Cb 0.91 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2j0m h ASN 595 CO 0.00 -0.03 -0.08 0.49 -1.65 0.00 0.00 177.43 176.15 2j0m n PHE 596 N -5.16 0.00 -2.13 1.19 3.72 -0.50 -5.01 117.46 109.57 2j0m n PHE 596 Ca -0.10 -0.59 -0.15 0.00 -0.05 0.00 0.00 57.45 56.57 2j0m n PHE 596 Cb 0.28 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2j0m n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2j0m n ARG 597 N -0.78 -1.84 -3.20 -1.08 1.74 -0.59 -4.92 116.66 105.99 2j0m n ARG 597 Ca 0.07 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.54 2j0m n ARG 597 Cb 0.53 -5.30 -0.06 0.00 -1.02 0.00 0.00 32.46 26.61 2j0m n ARG 597 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2j0m s ARG 598 N -4.51 4.27 -0.17 5.56 1.81 -1.09 -4.94 118.95 119.88 2j0m s ARG 598 Ca 0.00 0.54 0.01 0.00 -1.72 0.00 0.00 55.73 54.56 2j0m s ARG 598 Cb 0.00 -3.52 0.01 0.00 -0.45 0.00 0.00 34.95 30.99 2j0m s ARG 598 CO 0.00 -0.07 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.31 2j0m s PHE 599 N 1.35 2.78 0.34 -0.53 0.40 -1.26 -3.58 117.98 117.48 2j0m s PHE 599 Ca 0.28 -1.43 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 2j0m s PHE 599 Cb -0.16 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2j0m s PHE 599 CO 0.11 -0.70 0.25 0.95 0.70 0.00 0.00 175.22 176.53 2j0m s THR 600 N 1.16 0.09 0.28 0.64 -4.23 -1.26 -4.99 115.64 107.32 2j0m s THR 600 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2j0m s THR 600 Cb -0.14 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.49 2j0m s THR 600 CO -0.08 0.00 1.77 0.28 -0.54 0.00 0.00 174.62 176.05 2j0m h SER 601 N 2.09 0.63 0.60 3.99 0.02 -1.97 -0.49 113.55 118.43 2j0m h SER 601 Ca -0.27 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 2j0m h SER 601 Cb 1.24 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 2j0m h SER 601 CO 0.40 0.25 -0.72 0.00 -1.14 0.00 0.00 176.83 175.63 2j0m h ALA 602 N 1.59 0.78 -0.36 3.77 0.00 -1.94 -0.82 119.26 122.27 2j0m h ALA 602 Ca 0.50 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2j0m h ALA 602 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2j0m h ALA 602 CO -0.36 0.85 -0.34 0.66 0.00 0.00 0.00 179.25 180.06 2j0m h SER 603 N 0.06 0.86 -0.33 0.00 4.64 -1.81 -2.51 113.55 114.46 2j0m h SER 603 Ca -0.01 -0.37 0.06 0.00 -0.47 0.00 0.00 61.79 61.00 2j0m h SER 603 Cb 1.27 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2j0m h SER 603 CO 0.10 1.12 -0.04 0.44 -0.87 0.00 0.00 176.83 177.57 2j0m h ASP 604 N 0.68 -0.23 -0.84 4.97 3.45 -0.65 -1.61 116.42 122.19 2j0m h ASP 604 Ca 0.07 0.09 0.09 0.00 0.43 0.00 0.00 57.03 57.70 2j0m h ASP 604 Cb 0.90 0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 39.77 2j0m h ASP 604 CO 0.08 -0.07 0.50 0.58 -1.57 0.00 0.00 179.24 178.75 2j0m h VAL 605 N 0.04 0.95 -0.27 -1.35 2.07 -1.10 0.33 116.25 116.92 2j0m h VAL 605 Ca 0.16 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2j0m h VAL 605 Cb 0.23 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 2j0m h VAL 605 CO -0.31 0.15 -0.10 -0.25 0.02 0.00 0.00 177.57 177.09 2j0m h TRP 606 N 0.85 -0.24 -0.44 1.57 2.91 -0.87 -1.99 115.95 117.74 2j0m h TRP 606 Ca 0.40 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.31 2j0m h TRP 606 Cb 0.32 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 2j0m h TRP 606 CO -0.05 -0.16 -0.26 0.52 -1.03 0.00 0.00 178.44 177.45 2j0m h MET 607 N -0.05 0.93 -0.83 2.65 0.00 -0.34 -1.89 114.93 115.40 2j0m h MET 607 Ca 0.14 -0.42 0.18 0.00 0.00 0.00 0.00 59.70 59.60 2j0m h MET 607 Cb 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 31.60 31.79 2j0m h MET 607 CO -0.31 1.08 0.55 0.35 0.00 0.00 0.00 176.91 178.58 2j0m h PHE 608 N 0.79 0.50 0.10 -0.22 3.04 -0.16 0.60 116.94 121.59 2j0m h PHE 608 Ca 0.09 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 2j0m h PHE 608 Cb 0.83 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2j0m h PHE 608 CO 0.05 0.16 -0.05 0.78 -2.02 0.00 0.00 178.31 177.24 2j0m h GLY 609 N 0.40 -0.15 0.19 2.40 0.00 -0.58 0.81 103.07 106.15 2j0m h GLY 609 Ca 0.42 0.05 0.17 0.00 0.00 0.00 0.00 47.33 47.97 2j0m h GLY 609 CO -0.14 -0.05 0.58 -2.08 0.00 0.00 0.00 176.54 174.84 2j0m h VAL 610 N -0.45 0.74 0.06 4.60 2.07 -1.29 -0.72 116.25 121.24 2j0m h VAL 610 Ca -0.01 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2j0m h VAL 610 Cb 0.37 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2j0m h VAL 610 CO 0.02 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 2j0m h MET 612 N -0.21 0.66 -0.30 0.00 2.86 -0.37 0.42 114.93 117.98 2j0m h MET 612 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2j0m h MET 612 Cb 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2j0m h MET 612 CO 0.01 0.43 0.17 2.35 1.06 0.00 0.00 176.91 180.94 2j0m h TRP 613 N 0.68 0.41 -0.56 -0.22 7.01 -0.12 0.24 115.95 123.39 2j0m h TRP 613 Ca 0.53 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.55 2j0m h TRP 613 Cb 0.82 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 2j0m h TRP 613 CO -0.05 0.33 0.34 0.93 -2.79 0.00 0.00 178.44 177.20 2j0m h GLU 614 N 0.37 0.67 0.84 2.65 5.08 0.04 0.27 114.58 124.50 2j0m h GLU 614 Ca 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2j0m h GLU 614 Cb 0.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j0m h GLU 614 CO -0.02 0.44 -0.47 0.82 -1.00 0.00 0.00 179.01 178.78 2j0m h ILE 615 N 0.69 0.05 0.00 3.13 2.04 -0.57 0.10 117.51 122.94 2j0m h ILE 615 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 2j0m h ILE 615 Cb -0.01 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2j0m h ILE 615 CO -0.08 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 177.99 2j0m h LEU 616 N -1.22 0.00 -1.40 1.44 -0.00 -0.33 0.21 115.31 114.01 2j0m h LEU 616 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2j0m h LEU 616 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 2j0m h LEU 616 CO 0.14 0.00 0.00 0.23 -0.00 0.00 0.00 178.44 178.81 2j0m n MET 617 N -3.18 1.90 -3.34 1.13 2.81 0.93 -4.87 117.12 112.50 2j0m n MET 617 Ca -0.03 -1.38 -0.17 0.00 -1.81 0.00 0.00 57.70 54.31 2j0m n MET 617 Cb 0.09 -1.35 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 2j0m n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2j0m n HIS 618 N 0.61 -2.73 -4.07 2.03 -0.00 0.72 -3.81 115.22 107.96 2j0m n HIS 618 Ca 0.15 1.10 -0.45 0.00 -0.00 0.00 0.00 57.72 58.51 2j0m n HIS 618 Cb 0.35 -3.23 0.01 0.00 -0.00 0.00 0.00 29.99 27.12 2j0m n HIS 618 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2j0m n GLY 619 N -1.14 -0.78 3.30 -1.41 0.00 0.32 -4.27 105.19 101.21 2j0m n GLY 619 Ca -0.10 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2j0m n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j0m s VAL 620 N -3.60 2.54 0.39 1.61 1.01 -1.25 -4.84 120.40 116.26 2j0m s VAL 620 Ca 0.45 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 2j0m s VAL 620 Cb -0.24 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 2j0m s VAL 620 CO 0.97 0.55 1.22 -0.54 0.00 0.00 0.00 175.10 177.30 2j0m s LYS 621 N 0.26 4.08 0.29 2.72 1.02 -1.26 -4.65 119.74 122.20 2j0m s LYS 621 Ca -0.13 1.97 -0.29 0.00 0.02 0.00 0.00 55.97 57.54 2j0m s LYS 621 Cb -0.16 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 2j0m s LYS 621 CO 0.07 -0.34 1.43 -1.25 -0.92 0.00 0.00 175.35 174.34 2j0m s PRO 622 N -2.19 4.25 -1.17 -1.68 0.04 -1.26 -3.28 135.00 129.71 2j0m s PRO 622 Ca 0.56 2.34 -0.07 0.00 0.04 0.00 0.00 61.00 63.87 2j0m s PRO 622 Cb -0.34 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.14 2j0m s PRO 622 CO 0.43 -0.40 1.01 1.19 0.04 0.00 0.00 177.00 179.28 2j0m n PHE 623 N 1.67 -2.44 -1.81 0.56 0.99 -1.26 -4.94 117.46 110.23 2j0m n PHE 623 Ca 0.04 0.88 -0.41 0.00 -0.00 0.00 0.00 57.45 57.97 2j0m n PHE 623 Cb 0.40 -4.57 -0.00 0.00 -1.00 0.00 0.00 39.48 34.31 2j0m n PHE 623 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2j0m s GLN 624 N -6.01 4.12 -0.07 -1.08 -0.21 -1.21 -1.62 119.66 113.58 2j0m s GLN 624 Ca 0.44 2.56 0.00 0.00 0.02 0.00 0.00 55.36 58.38 2j0m s GLN 624 Cb -0.19 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2j0m s GLN 624 CO 0.64 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 2j0m n GLY 625 N 0.53 0.44 3.12 3.09 0.00 -1.26 -5.01 105.19 106.10 2j0m n GLY 625 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2j0m n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j0m s VAL 626 N -1.84 2.08 0.46 1.61 1.01 -0.64 -5.10 120.40 117.97 2j0m s VAL 626 Ca 0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 2j0m s VAL 626 Cb 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 2j0m s VAL 626 CO 0.00 0.50 1.41 -0.54 0.00 0.00 0.00 175.10 176.48 2j0m s LYS 627 N 1.28 3.65 0.22 2.72 1.02 -1.26 -4.81 119.74 122.56 2j0m s LYS 627 Ca 0.04 2.38 -0.11 0.00 0.02 0.00 0.00 55.97 58.30 2j0m s LYS 627 Cb -0.13 -2.62 0.29 0.00 -0.52 0.00 0.00 37.83 34.85 2j0m s LYS 627 CO -0.12 -0.83 1.64 -0.91 -0.92 0.00 0.00 175.35 174.21 2j0m h ASN 628 N 2.26 -0.41 0.25 2.83 4.21 -1.99 -1.95 115.58 120.79 2j0m h ASN 628 Ca -0.51 0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.13 2j0m h ASN 628 Cb 1.27 0.33 -0.01 0.00 -1.12 0.00 0.00 38.32 38.79 2j0m h ASN 628 CO 0.61 -0.16 -0.21 0.78 -1.29 0.00 0.00 177.43 177.16 2j0m h ASN 629 N 0.07 0.00 -0.00 5.81 2.35 -2.02 -2.68 115.58 119.11 2j0m h ASN 629 Ca 0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2j0m h ASN 629 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2j0m h ASN 629 CO -0.60 0.21 -0.00 0.44 -1.65 0.00 0.00 177.43 175.83 2j0m h ASP 630 N 0.00 0.00 -0.98 5.81 3.45 -1.74 -3.28 116.42 119.68 2j0m h ASP 630 Ca -0.00 -0.71 0.38 0.00 0.43 0.00 0.00 57.03 57.12 2j0m h ASP 630 Cb 0.39 -0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 38.98 2j0m h ASP 630 CO 0.03 0.71 0.41 0.52 -1.57 0.00 0.00 179.24 179.34 2j0m n VAL 631 N -4.75 -0.41 0.05 -1.35 0.31 -0.85 0.61 118.33 111.94 2j0m n VAL 631 Ca -0.09 2.02 -0.01 0.00 -0.01 0.00 0.00 64.34 66.25 2j0m n VAL 631 Cb 0.35 -3.21 0.26 0.00 -0.91 0.00 0.00 33.84 30.34 2j0m n VAL 631 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2j0m h ILE 632 N 0.00 1.24 0.11 2.52 3.07 -1.56 -2.61 117.51 120.29 2j0m h ILE 632 Ca 0.78 -1.14 -0.16 0.00 1.55 0.00 0.00 64.86 65.89 2j0m h ILE 632 Cb 1.97 1.33 0.02 0.00 -0.27 0.00 0.00 36.82 39.87 2j0m h ILE 632 CO -0.79 0.36 -0.69 1.23 -1.05 0.00 0.00 178.15 177.21 2j0m h GLY 633 N 0.97 0.31 -0.21 0.16 0.00 0.08 -2.37 103.07 102.02 2j0m h GLY 633 Ca 0.06 -0.76 0.09 0.00 0.00 0.00 0.00 47.33 46.71 2j0m h GLY 633 CO 0.04 0.67 -0.31 3.21 0.00 0.00 0.00 176.54 180.14 2j0m h ARG 634 N -0.41 -0.21 -0.76 4.80 3.08 -1.04 -1.23 114.38 118.60 2j0m h ARG 634 Ca -0.12 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2j0m h ARG 634 Cb 1.52 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 2j0m h ARG 634 CO 0.13 -0.14 0.26 0.82 -1.07 0.00 0.00 179.97 179.97 2j0m h ILE 635 N -0.22 1.26 -0.34 2.04 2.04 -1.53 -0.50 117.51 120.26 2j0m h ILE 635 Ca 0.19 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.26 2j0m h ILE 635 Cb 0.53 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2j0m h ILE 635 CO -0.57 0.35 0.33 -0.08 0.00 0.00 0.00 178.15 178.19 2j0m h GLU 636 N 1.13 0.00 -0.60 2.37 4.57 -0.79 -2.45 114.58 118.80 2j0m h GLU 636 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2j0m h GLU 636 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2j0m h GLU 636 CO -0.01 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.91 2j0m n ASN 637 N -3.87 5.53 0.00 1.04 5.03 -0.23 -4.92 115.26 117.84 2j0m n ASN 637 Ca 0.05 -2.81 0.00 0.00 0.87 0.00 0.00 54.58 52.69 2j0m n ASN 637 Cb 0.49 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 2j0m n ASN 637 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j0m n GLY 638 N 0.77 0.80 3.83 7.41 0.00 -0.92 -5.03 105.19 112.04 2j0m n GLY 638 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2j0m n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j0m s GLU 639 N -0.10 4.16 0.26 1.61 2.02 -1.02 -5.03 118.70 120.60 2j0m s GLU 639 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 54.97 55.89 2j0m s GLU 639 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2j0m s GLU 639 CO 0.00 0.16 0.16 1.03 0.02 0.00 0.00 175.26 176.63 2j0m s ARG 640 N -2.78 1.42 0.33 1.61 1.81 -1.26 -4.28 118.95 115.81 2j0m s ARG 640 Ca 0.54 -1.78 -0.28 0.00 -1.72 0.00 0.00 55.73 52.48 2j0m s ARG 640 Cb -0.12 0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 34.42 2j0m s ARG 640 CO 0.17 -0.44 1.22 -0.51 -0.68 0.00 0.00 175.30 175.06 2j0m s LEU 641 N -3.27 4.40 0.96 2.53 1.43 -1.26 -4.99 118.68 118.48 2j0m s LEU 641 Ca 0.38 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.87 2j0m s LEU 641 Cb 0.06 -3.73 0.17 0.00 0.03 0.00 0.00 46.19 42.71 2j0m s LEU 641 CO 0.16 -0.47 1.12 -2.16 0.23 0.00 0.00 176.35 175.23 2j0m s PRO 642 N -1.82 0.67 -0.20 1.29 0.04 -1.26 -4.92 135.00 128.79 2j0m s PRO 642 Ca 0.50 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2j0m s PRO 642 Cb -0.36 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2j0m s PRO 642 CO 0.46 -2.81 1.40 1.41 0.04 0.00 0.00 177.00 177.50 2j0m s MET 643 N -4.63 4.05 0.30 4.56 -2.45 -1.26 -4.99 119.30 114.88 2j0m s MET 643 Ca 0.67 1.63 -0.30 0.00 -1.25 0.00 0.00 55.69 56.44 2j0m s MET 643 Cb -0.23 -3.88 -0.12 0.00 1.25 0.00 0.00 34.83 31.85 2j0m s MET 643 CO 0.59 -0.95 1.50 -0.35 1.05 0.00 0.00 175.02 176.87 2j0m n PRO 644 N 7.08 2.48 -1.83 4.11 -0.04 -1.26 -4.92 135.00 140.63 2j0m n PRO 644 Ca 0.16 0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 64.08 2j0m n PRO 644 Cb 0.45 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 2j0m n PRO 644 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2j0m s PRO 645 N -0.85 4.15 0.00 0.54 0.04 -1.26 -2.17 135.00 135.44 2j0m s PRO 645 Ca 0.63 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2j0m s PRO 645 Cb -0.54 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2j0m s PRO 645 CO 0.52 -0.58 0.00 0.09 0.04 0.00 0.00 177.00 177.08 2j0m n ASN 646 N 1.97 0.00 -4.75 6.66 3.02 -1.26 -5.02 115.26 115.89 2j0m n ASN 646 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 2j0m n ASN 646 Cb 0.38 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 2j0m n ASN 646 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0m s PRO 648 N -0.34 4.38 0.29 0.00 0.04 -1.26 -4.90 135.00 133.22 2j0m s PRO 648 Ca 0.62 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2j0m s PRO 648 Cb -0.44 -3.50 0.83 0.00 0.04 0.00 0.00 34.50 31.43 2j0m s PRO 648 CO 0.44 -0.10 1.36 -2.30 0.04 0.00 0.00 177.00 176.45 2j0m n PRO 649 N 4.36 -0.06 -0.25 0.56 -0.01 -1.26 0.25 135.00 138.59 2j0m n PRO 649 Ca 0.01 1.26 0.05 0.00 -0.01 0.00 0.00 63.50 64.81 2j0m n PRO 649 Cb 0.50 -2.09 0.17 0.00 -0.01 0.00 0.00 33.50 32.08 2j0m n PRO 649 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 175.50 177.28 2j0m h THR 650 N 0.00 0.63 -0.10 3.45 1.35 -1.99 0.11 112.91 116.36 2j0m h THR 650 Ca 0.60 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 66.29 2j0m h THR 650 Cb 1.38 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2j0m h THR 650 CO -0.76 0.07 -0.06 0.25 -0.25 0.00 0.00 175.52 174.76 2j0m h LEU 651 N 0.38 0.23 -1.55 3.87 5.85 -0.59 -0.86 115.31 122.64 2j0m h LEU 651 Ca 0.40 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2j0m h LEU 651 Cb 0.62 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2j0m h LEU 651 CO -0.42 0.62 0.24 0.22 -0.34 0.00 0.00 178.44 178.75 2j0m h TYR 652 N -0.16 0.52 -0.88 1.25 3.20 -1.42 0.46 116.97 119.94 2j0m h TYR 652 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2j0m h TYR 652 Cb 0.54 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2j0m h TYR 652 CO 0.07 0.35 0.52 1.03 -1.64 0.00 0.00 178.16 178.50 2j0m h SER 653 N 0.55 1.07 -0.54 -2.11 0.87 -0.59 -1.76 113.55 111.04 2j0m h SER 653 Ca 0.15 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2j0m h SER 653 Cb -0.01 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2j0m h SER 653 CO -0.03 0.83 0.17 0.25 -0.53 0.00 0.00 176.83 177.52 2j0m h LEU 654 N 1.21 0.79 -0.17 2.23 5.85 0.13 -2.70 115.31 122.65 2j0m h LEU 654 Ca 0.31 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2j0m h LEU 654 Cb -0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2j0m h LEU 654 CO -0.06 0.78 0.10 0.24 -0.34 0.00 0.00 178.44 179.17 2j0m h MET 655 N 0.75 0.23 -0.71 1.25 2.86 -0.51 -2.64 114.93 116.16 2j0m h MET 655 Ca 0.17 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 2j0m h MET 655 Cb 0.28 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 2j0m h MET 655 CO -0.01 0.18 0.47 1.79 1.06 0.00 0.00 176.91 180.40 2j0m h THR 656 N 0.20 0.92 -0.91 2.22 1.35 -1.20 0.13 112.91 115.63 2j0m h THR 656 Ca 0.06 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 2j0m h THR 656 Cb 0.01 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 66.68 2j0m h THR 656 CO -0.01 0.11 0.50 0.11 -0.25 0.00 0.00 175.52 175.98 2j0m h LYS 657 N 0.58 1.26 0.00 4.72 1.57 -1.14 -1.15 116.57 122.40 2j0m h LYS 657 Ca 0.33 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2j0m h LYS 657 Cb 0.49 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2j0m h LYS 657 CO -0.11 0.91 -0.01 0.00 -0.57 0.00 0.00 179.45 179.68 2j0m n TRP 659 N -3.20 1.85 -1.71 0.00 8.01 -0.44 -3.82 117.44 118.14 2j0m n TRP 659 Ca -0.03 -1.00 -0.43 0.00 -1.31 0.00 0.00 57.50 54.73 2j0m n TRP 659 Cb 0.10 -0.52 -0.02 0.00 -2.01 0.00 0.00 31.31 28.86 2j0m n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2j0m n ALA 660 N -0.08 1.90 -0.03 6.99 0.00 -1.02 -4.89 120.51 123.37 2j0m n ALA 660 Ca 0.31 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2j0m n ALA 660 Cb 1.18 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 2j0m n ALA 660 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2j0m h TYR 661 N 4.83 0.19 -2.79 0.00 5.03 -1.92 -3.40 116.97 118.89 2j0m h TYR 661 Ca -0.46 -0.05 -0.57 0.00 2.58 0.00 0.00 58.73 60.23 2j0m h TYR 661 Cb 1.25 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.45 2j0m h TYR 661 CO 0.58 0.56 1.16 0.34 -1.32 0.00 0.00 178.16 179.48 2j0m s ASP 662 N -5.83 6.24 0.47 -2.11 3.68 -1.26 -4.86 116.67 113.01 2j0m s ASP 662 Ca -0.15 1.45 0.23 0.00 2.13 0.00 0.00 52.55 56.22 2j0m s ASP 662 Cb 0.04 -2.53 1.25 0.00 -1.45 0.00 0.00 42.92 40.23 2j0m s ASP 662 CO 0.71 -1.40 1.88 1.55 0.13 0.00 0.00 175.17 178.04 2j0m h PRO 663 N 11.31 0.22 0.00 4.34 0.13 -1.96 -1.43 132.00 144.61 2j0m h PRO 663 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2j0m h PRO 663 Cb 1.15 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2j0m h PRO 663 CO 1.02 0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 177.80 2j0m n SER 664 N -4.41 0.34 -0.03 1.44 3.41 -1.26 -2.69 113.62 110.41 2j0m n SER 664 Ca 0.18 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 2j0m n SER 664 Cb 0.79 -0.65 0.21 0.00 -0.26 0.00 0.00 64.21 64.30 2j0m n SER 664 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j0m n ARG 665 N -1.87 0.11 -2.73 4.33 1.74 -0.54 -4.90 116.66 112.81 2j0m n ARG 665 Ca 0.03 -0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.67 2j0m n ARG 665 Cb 0.22 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 2j0m n ARG 665 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2j0m s ARG 666 N -2.94 4.50 0.73 5.56 0.52 -1.09 -4.92 118.95 121.30 2j0m s ARG 666 Ca 0.12 1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 56.56 2j0m s ARG 666 Cb 0.18 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.93 2j0m s ARG 666 CO 0.70 0.19 1.18 -1.25 0.02 0.00 0.00 175.30 176.14 2j0m s PRO 667 N -2.14 2.21 0.56 3.54 0.04 -1.26 -5.03 135.00 132.93 2j0m s PRO 667 Ca 0.52 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 2j0m s PRO 667 Cb -0.20 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2j0m s PRO 667 CO 0.25 -1.76 1.04 1.03 0.04 0.00 0.00 177.00 177.60 2j0m s ARG 668 N -4.02 3.50 0.41 4.56 1.81 -1.26 -4.93 118.95 119.02 2j0m s ARG 668 Ca 0.72 1.19 0.09 0.00 -1.72 0.00 0.00 55.73 56.01 2j0m s ARG 668 Cb -0.27 -2.06 0.91 0.00 -0.45 0.00 0.00 34.95 33.09 2j0m s ARG 668 CO 0.45 -0.66 2.02 0.74 -0.68 0.00 0.00 175.30 177.17 2j0m h PHE 669 N 0.68 0.51 -0.13 -0.53 0.04 -1.93 -1.55 116.94 114.04 2j0m h PHE 669 Ca -0.47 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 2j0m h PHE 669 Cb 1.21 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 2j0m h PHE 669 CO 0.59 0.29 0.04 0.00 -0.60 0.00 0.00 178.31 178.63 2j0m h THR 670 N 0.52 1.06 0.18 -1.55 1.03 -1.92 -1.36 112.91 110.88 2j0m h THR 670 Ca 0.22 -0.21 -0.32 0.00 -0.01 0.00 0.00 66.41 66.08 2j0m h THR 670 Cb 0.20 0.92 0.01 0.00 -1.07 0.00 0.00 68.15 68.22 2j0m h THR 670 CO -0.06 0.08 -1.55 -0.08 -0.01 0.00 0.00 175.52 173.90 2j0m h GLU 671 N 0.18 0.38 -0.53 0.00 4.57 -1.68 -3.20 114.58 114.31 2j0m h GLU 671 Ca 0.05 -0.65 0.11 0.00 -1.18 0.00 0.00 59.36 57.69 2j0m h GLU 671 Cb 0.06 0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 2j0m h GLU 671 CO -0.00 1.28 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.98 2j0m h LEU 672 N 0.10 -0.34 -0.07 1.64 3.38 -1.25 0.62 115.31 119.40 2j0m h LEU 672 Ca -0.26 0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2j0m h LEU 672 Cb 2.08 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 43.04 2j0m h LEU 672 CO 0.21 -0.12 -0.51 0.50 0.09 0.00 0.00 178.44 178.60 2j0m h LYS 673 N 0.06 -0.59 -0.62 1.13 3.64 -1.29 0.41 116.57 119.32 2j0m h LYS 673 Ca 0.26 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2j0m h LYS 673 Cb 0.41 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2j0m h LYS 673 CO -0.49 -0.39 0.17 0.00 -2.27 0.00 0.00 179.45 176.48 2j0m h ALA 674 N -0.26 1.13 0.46 5.00 0.00 -1.52 -0.66 119.26 123.42 2j0m h ALA 674 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2j0m h ALA 674 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2j0m h ALA 674 CO -0.39 0.59 -0.29 1.96 0.00 0.00 0.00 179.25 181.12 2j0m h GLN 675 N 0.93 -0.69 -0.31 0.00 1.08 -0.26 -2.70 115.11 113.15 2j0m h GLN 675 Ca 0.20 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.52 2j0m h GLN 675 Cb 0.30 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2j0m h GLN 675 CO -0.00 -0.46 0.22 -0.07 -0.95 0.00 0.00 178.83 177.56 2j0m h LEU 676 N -0.72 0.07 0.37 1.46 3.38 0.00 -2.17 115.31 117.71 2j0m h LEU 676 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2j0m h LEU 676 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2j0m h LEU 676 CO 0.05 0.05 -0.18 -1.28 0.09 0.00 0.00 178.44 177.17 2j0m h SER 677 N 0.08 -0.43 -0.68 -0.43 0.87 -0.81 -0.94 113.55 111.22 2j0m h SER 677 Ca 0.14 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2j0m h SER 677 Cb 0.46 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2j0m h SER 677 CO -0.01 -0.11 0.38 0.71 -0.53 0.00 0.00 176.83 177.27 2j0m h THR 678 N -0.76 1.21 -0.73 2.23 1.35 -1.31 0.10 112.91 115.00 2j0m h THR 678 Ca -0.05 -0.50 0.14 0.00 -0.55 0.00 0.00 66.41 65.44 2j0m h THR 678 Cb 0.51 0.30 -0.09 0.00 -1.73 0.00 0.00 68.15 67.14 2j0m h THR 678 CO 0.08 0.22 0.28 0.40 -0.25 0.00 0.00 175.52 176.25 2j0m h ILE 679 N 0.93 0.66 0.03 6.82 2.04 -1.39 0.80 117.51 127.40 2j0m h ILE 679 Ca 0.24 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2j0m h ILE 679 Cb 0.02 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2j0m h ILE 679 CO -0.04 0.08 -0.01 0.25 0.00 0.00 0.00 178.15 178.42 2j0m h LEU 680 N 0.42 -0.03 -1.49 1.44 5.85 -0.71 -2.01 115.31 118.78 2j0m h LEU 680 Ca 0.40 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2j0m h LEU 680 Cb 0.60 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2j0m h LEU 680 CO -0.40 0.37 0.36 -0.33 -0.34 0.00 0.00 178.44 178.10 2j0m h GLU 681 N -0.44 0.67 -0.10 1.25 4.39 -0.28 0.28 114.58 120.36 2j0m h GLU 681 Ca -0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2j0m h GLU 681 Cb 0.42 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2j0m h GLU 681 CO 0.01 0.44 -0.00 1.49 -1.16 0.00 0.00 179.01 179.79 2j0m h GLU 682 N 0.69 0.03 -0.39 2.33 4.57 0.66 0.41 114.58 122.87 2j0m h GLU 682 Ca 0.20 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2j0m h GLU 682 Cb -0.02 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2j0m h GLU 682 CO -0.05 0.02 -0.18 1.49 -1.18 0.00 0.00 179.01 179.11 2j0m h GLU 683 N 0.03 0.81 -0.37 1.92 4.57 -0.45 -3.15 114.58 117.94 2j0m h GLU 683 Ca 0.04 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2j0m h GLU 683 Cb 0.05 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2j0m h GLU 683 CO -0.08 0.98 0.17 0.87 -1.18 0.00 0.00 179.01 179.77 2j0m h LYS 684 N 0.62 0.54 -1.54 1.92 1.57 -0.39 -2.83 116.57 116.45 2j0m h LYS 684 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2j0m h LYS 684 Cb 0.73 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2j0m h LYS 684 CO 0.06 0.49 0.00 1.28 -0.57 0.00 0.00 179.45 180.70 2j0m n LEU 685 N -4.71 0.01 0.00 2.94 7.99 0.14 -5.08 117.00 118.29 2j0m n LEU 685 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2j0m n LEU 685 Cb 0.12 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2j0m n LEU 685 CO 0.36 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.24