#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkq n TYR 415 N 0.00 0.00 -2.36 2.11 4.01 -1.26 -4.92 117.16 114.74 2jkq n TYR 415 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2jkq n TYR 415 Cb 0.00 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2jkq n TYR 415 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2jkq s GLU 416 N -2.02 4.29 -0.09 -0.72 2.56 -1.26 -0.44 118.70 121.03 2jkq s GLU 416 Ca 0.30 1.78 0.03 0.00 0.00 0.00 0.00 54.97 57.08 2jkq s GLU 416 Cb 0.20 -3.64 -0.01 0.00 2.00 0.00 0.00 34.13 32.68 2jkq s GLU 416 CO 0.32 -0.57 -0.17 0.42 -0.56 0.00 0.00 175.26 174.70 2jkq s ILE 417 N 2.68 2.72 0.20 -3.70 1.01 0.18 -4.91 121.20 119.39 2jkq s ILE 417 Ca 0.59 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 60.11 2jkq s ILE 417 Cb -0.26 -2.09 -0.12 0.00 0.01 0.00 0.00 42.46 40.00 2jkq s ILE 417 CO 0.22 0.55 1.73 0.00 0.00 0.00 0.00 174.94 177.44 2jkq n GLN 418 N 3.13 2.76 0.24 2.79 1.13 -1.26 -4.51 117.38 121.65 2jkq n GLN 418 Ca -0.18 1.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.94 2jkq n GLN 418 Cb 0.52 -2.84 0.55 0.00 0.11 0.00 0.00 30.24 28.58 2jkq n GLN 418 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2jkq h ARG 419 N 6.85 0.00 0.00 -1.09 2.43 -1.97 -2.16 114.38 118.44 2jkq h ARG 419 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2jkq h ARG 419 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jkq h ARG 419 CO 0.95 0.12 0.00 0.93 -1.51 0.00 0.00 179.97 180.47 2jkq h GLU 420 N 0.00 0.00 -0.00 0.20 3.07 -2.01 -1.18 114.58 114.66 2jkq h GLU 420 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jkq h GLU 420 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2jkq h GLU 420 CO 0.02 0.00 -0.02 0.54 -1.40 0.00 0.00 179.01 178.14 2jkq n ARG 421 N -2.57 0.06 -4.23 2.33 1.74 -0.81 -4.82 116.66 108.36 2jkq n ARG 421 Ca 0.01 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 2jkq n ARG 421 Cb 0.25 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 2jkq n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jkq s ILE 422 N -2.94 4.33 -0.21 0.55 -1.09 -0.45 0.25 121.20 121.64 2jkq s ILE 422 Ca 0.16 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.35 2jkq s ILE 422 Cb 0.19 -2.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2jkq s ILE 422 CO 0.53 0.50 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.95 2jkq s GLU 423 N 0.19 3.18 0.28 2.79 2.12 -0.37 -4.99 118.70 121.90 2jkq s GLU 423 Ca 0.01 -0.74 -0.28 0.00 0.36 0.00 0.00 54.97 54.32 2jkq s GLU 423 Cb -0.13 -2.88 -0.09 0.00 0.26 0.00 0.00 34.13 31.28 2jkq s GLU 423 CO 0.02 -0.24 0.97 -1.17 -0.54 0.00 0.00 175.26 174.30 2jkq s LEU 424 N 1.40 4.50 0.00 2.70 2.96 -1.26 -1.22 118.68 127.77 2jkq s LEU 424 Ca 0.05 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2jkq s LEU 424 Cb -0.14 -3.78 0.00 0.00 0.50 0.00 0.00 46.19 42.77 2jkq s LEU 424 CO -0.06 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 2jkq n GLY 425 N 1.07 6.48 3.70 7.98 0.00 0.14 -4.93 105.19 119.64 2jkq n GLY 425 Ca -0.00 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2jkq n GLY 425 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jkq n ARG 426 N 0.00 0.57 -2.56 1.61 1.85 -1.25 -4.41 116.66 112.47 2jkq n ARG 426 Ca 0.00 0.26 -0.41 0.00 -1.00 0.00 0.00 57.85 56.70 2jkq n ARG 426 Cb 0.00 -2.47 -0.04 0.00 -1.05 0.00 0.00 32.46 28.90 2jkq n ARG 426 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jkq n ILE 428 N 2.48 0.00 -1.98 0.00 -5.35 0.44 -4.90 119.36 110.05 2jkq n ILE 428 Ca 0.03 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2jkq n ILE 428 Cb 0.47 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 2jkq n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jkq n GLY 429 N 0.34 -2.02 2.84 3.28 0.00 -1.21 -4.99 105.19 103.43 2jkq n GLY 429 Ca 0.02 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2jkq n GLY 429 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jkq s GLU 430 N -1.86 -0.01 0.53 1.61 2.12 -1.26 -1.00 118.70 118.83 2jkq s GLU 430 Ca 0.00 0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.45 2jkq s GLU 430 Cb 0.00 -0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.32 2jkq s GLU 430 CO 0.00 -0.06 0.26 0.20 -0.54 0.00 0.00 175.26 175.12 2jkq s GLY 431 N 0.40 2.59 0.60 -1.50 0.00 0.14 -4.91 107.32 104.64 2jkq s GLY 431 Ca -0.03 -0.99 0.38 0.00 0.00 0.00 0.00 44.72 44.07 2jkq s GLY 431 CO -0.01 -2.02 2.16 -1.61 0.00 0.00 0.00 173.10 171.62 2jkq h GLN 432 N 0.98 0.00 0.00 2.90 4.15 -1.97 -3.17 115.11 117.99 2jkq h GLN 432 Ca -0.39 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 58.85 2jkq h GLN 432 Cb 1.30 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 2jkq h GLN 432 CO 0.63 0.01 -1.95 1.19 -1.93 0.00 0.00 178.83 176.79 2jkq n PHE 433 N -3.13 0.00 -3.42 3.99 3.01 -1.26 -5.03 117.46 111.61 2jkq n PHE 433 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jkq n PHE 433 Cb 0.20 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 2jkq n PHE 433 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jkq n GLY 434 N 1.85 -1.02 3.84 1.37 0.00 -1.20 -0.03 105.19 110.00 2jkq n GLY 434 Ca -0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2jkq n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkq s ASP 435 N -4.00 6.83 -0.14 1.61 1.01 -1.26 0.25 116.67 120.98 2jkq s ASP 435 Ca 0.00 1.46 -0.05 0.00 0.71 0.00 0.00 52.55 54.67 2jkq s ASP 435 Cb 0.00 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2jkq s ASP 435 CO 0.00 -0.29 0.03 -0.69 0.21 0.00 0.00 175.17 174.44 2jkq s VAL 436 N -2.10 4.56 0.15 -1.27 1.01 -0.17 -1.31 120.40 121.27 2jkq s VAL 436 Ca 0.58 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2jkq s VAL 436 Cb -0.10 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2jkq s VAL 436 CO 0.16 0.54 -0.24 -1.00 0.00 0.00 0.00 175.10 174.56 2jkq s HIS 437 N -0.26 2.15 0.35 5.22 3.76 0.22 -0.42 115.29 126.31 2jkq s HIS 437 Ca 0.07 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 2jkq s HIS 437 Cb -0.12 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 2jkq s HIS 437 CO 0.02 0.36 0.63 1.14 -0.85 0.00 0.00 174.74 176.03 2jkq s GLN 438 N -2.29 3.60 0.01 1.40 -2.07 -0.61 0.96 119.66 120.67 2jkq s GLN 438 Ca 0.15 0.04 -0.02 0.00 -1.82 0.00 0.00 55.36 53.70 2jkq s GLN 438 Cb -0.09 -2.56 0.01 0.00 -1.09 0.00 0.00 33.01 29.27 2jkq s GLN 438 CO 0.07 0.09 0.09 0.41 -1.32 0.00 0.00 175.29 174.63 2jkq n GLY 439 N -1.41 1.02 3.27 2.60 0.00 -0.57 0.23 105.19 110.35 2jkq n GLY 439 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2jkq n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkq s ILE 440 N -2.40 1.91 -0.25 -0.61 1.01 -0.35 -1.48 121.20 119.03 2jkq s ILE 440 Ca 0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 2jkq s ILE 440 Cb -0.00 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2jkq s ILE 440 CO 0.00 0.54 0.05 -0.47 0.00 0.00 0.00 174.94 175.06 2jkq s TYR 441 N -0.51 3.07 0.18 3.97 5.04 0.14 -1.24 117.35 128.01 2jkq s TYR 441 Ca 0.08 -0.66 0.04 0.00 -2.44 0.00 0.00 57.07 54.09 2jkq s TYR 441 Cb -0.10 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.96 2jkq s TYR 441 CO -0.00 -0.45 0.24 -1.64 -1.34 0.00 0.00 175.55 172.36 2jkq s MET 442 N 1.56 3.23 -0.24 4.97 -1.94 0.14 -0.96 119.30 126.06 2jkq s MET 442 Ca 0.05 -0.75 -0.24 0.00 -1.71 0.00 0.00 55.69 53.04 2jkq s MET 442 Cb -0.15 -2.82 0.07 0.00 2.01 0.00 0.00 34.83 33.93 2jkq s MET 442 CO 0.02 0.48 0.67 0.45 -0.01 0.00 0.00 175.02 176.63 2jkq s SER 443 N -3.39 -0.70 0.04 3.03 0.15 -1.26 -4.79 113.70 106.80 2jkq s SER 443 Ca 0.33 1.32 -0.30 0.00 0.70 0.00 0.00 55.95 58.00 2jkq s SER 443 Cb -0.10 1.33 -0.09 0.00 -1.71 0.00 0.00 66.02 65.45 2jkq s SER 443 CO 0.27 -0.25 1.96 -2.84 1.20 0.00 0.00 173.24 173.58 2jkq s PRO 444 N 0.27 4.14 0.00 5.44 0.02 -1.26 -4.65 135.00 138.96 2jkq s PRO 444 Ca -0.01 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.63 2jkq s PRO 444 Cb -0.04 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2jkq s PRO 444 CO 0.01 -0.95 0.00 0.39 -0.33 0.00 0.00 177.00 176.12 2jkq n GLU 445 N 7.43 0.00 -2.45 5.54 1.02 -1.26 -4.97 120.64 125.96 2jkq n GLU 445 Ca 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 2jkq n GLU 445 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.82 2jkq n GLU 445 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jkq n ASN 446 N 0.00 -4.99 0.00 1.62 4.13 -1.26 -5.05 115.26 109.71 2jkq n ASN 446 Ca 0.00 1.46 0.00 0.00 1.68 0.00 0.00 54.58 57.72 2jkq n ASN 446 Cb 0.00 -4.07 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 2jkq n ASN 446 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2jkq n PRO 447 N 1.94 0.00 0.00 3.52 -0.02 -1.26 -4.71 135.00 134.47 2jkq n PRO 447 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2jkq n PRO 447 Cb 0.18 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 2jkq n PRO 447 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkq n ALA 448 N -3.00 0.00 -2.80 3.55 0.00 -1.26 -4.13 120.51 112.87 2jkq n ALA 448 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2jkq n ALA 448 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2jkq n ALA 448 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jkq s LEU 449 N 0.00 3.01 -0.03 0.00 2.96 -0.13 -4.92 118.68 119.57 2jkq s LEU 449 Ca 0.00 -0.16 -0.28 0.00 -0.22 0.00 0.00 54.13 53.47 2jkq s LEU 449 Cb 0.00 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2jkq s LEU 449 CO 0.00 0.26 0.91 0.00 -1.32 0.00 0.00 176.35 176.20 2jkq s ALA 450 N -0.18 3.23 0.09 5.97 0.00 -1.26 0.28 121.76 129.88 2jkq s ALA 450 Ca 0.02 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2jkq s ALA 450 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2jkq s ALA 450 CO 0.03 -0.24 -0.07 0.14 0.00 0.00 0.00 175.76 175.62 2jkq s VAL 451 N 1.07 0.66 -0.13 0.00 -7.23 -0.55 -2.78 120.40 111.44 2jkq s VAL 451 Ca 0.48 -1.78 -0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2jkq s VAL 451 Cb -0.20 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2jkq s VAL 451 CO 0.25 -0.78 0.14 0.00 -0.31 0.00 0.00 175.10 174.40 2jkq s ALA 452 N -3.21 3.84 -0.24 1.32 0.00 0.10 -1.51 121.76 122.06 2jkq s ALA 452 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2jkq s ALA 452 Cb 0.02 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.18 2jkq s ALA 452 CO -0.04 0.52 -0.12 0.42 0.00 0.00 0.00 175.76 176.54 2jkq s ILE 453 N -0.73 2.09 -0.09 0.00 1.01 0.27 -0.04 121.20 123.71 2jkq s ILE 453 Ca 0.14 -1.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.07 2jkq s ILE 453 Cb -0.12 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2jkq s ILE 453 CO 0.03 0.08 0.77 -0.54 0.00 0.00 0.00 174.94 175.28 2jkq s LYS 454 N 1.16 4.40 0.30 2.79 1.02 0.12 -0.61 119.74 128.93 2jkq s LYS 454 Ca -0.06 0.98 0.03 0.00 0.02 0.00 0.00 55.97 56.94 2jkq s LYS 454 Cb -0.19 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2jkq s LYS 454 CO -0.07 -0.08 0.25 0.25 -0.92 0.00 0.00 175.35 174.78 2jkq n THR 455 N 4.11 0.00 -3.24 2.17 -2.24 -0.43 -2.03 114.28 112.63 2jkq n THR 455 Ca 0.01 -1.19 -0.03 0.00 -2.27 0.00 0.00 64.05 60.57 2jkq n THR 455 Cb 0.50 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2jkq n THR 455 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jkq h LYS 457 N 8.09 -0.11 -0.51 0.00 1.57 -0.82 -3.22 116.57 121.57 2jkq h LYS 457 Ca -0.06 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2jkq h LYS 457 Cb 1.15 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 2jkq h LYS 457 CO 0.22 -0.07 0.06 0.09 -0.57 0.00 0.00 179.45 179.18 2jkq n ASN 458 N -5.16 4.86 0.00 0.86 3.02 -1.26 -4.55 115.26 113.03 2jkq n ASN 458 Ca -0.07 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 2jkq n ASN 458 Cb 0.09 -0.66 0.03 0.00 -0.61 0.00 0.00 39.78 38.63 2jkq n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkq h THR 460 N 0.00 1.10 -4.29 0.00 1.03 -1.87 -3.43 112.91 105.46 2jkq h THR 460 Ca 0.00 -0.29 -0.51 0.00 -0.01 0.00 0.00 66.41 65.60 2jkq h THR 460 Cb 0.00 1.08 0.12 0.00 -1.07 0.00 0.00 68.15 68.28 2jkq h THR 460 CO 0.00 0.09 0.32 -0.44 -0.01 0.00 0.00 175.52 175.49 2jkq s SER 461 N -5.43 4.57 0.06 0.00 0.01 -1.06 -4.99 113.70 106.86 2jkq s SER 461 Ca -0.13 1.70 0.17 0.00 1.31 0.00 0.00 55.95 59.00 2jkq s SER 461 Cb 0.07 -2.44 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 2jkq s SER 461 CO 0.69 -1.97 0.80 -0.67 0.41 0.00 0.00 173.24 172.50 2jkq n ASP 462 N -3.47 0.80 -0.10 2.44 2.03 -1.26 -3.16 116.55 113.83 2jkq n ASP 462 Ca 0.08 0.35 -0.13 0.00 0.52 0.00 0.00 54.79 55.61 2jkq n ASP 462 Cb 0.54 0.27 -0.04 0.00 -0.72 0.00 0.00 41.12 41.17 2jkq n ASP 462 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jkq h SER 463 N 0.00 0.74 -0.65 1.67 4.64 -1.96 -2.80 113.55 115.19 2jkq h SER 463 Ca -0.16 -0.44 -0.08 0.00 -0.47 0.00 0.00 61.79 60.63 2jkq h SER 463 Cb 1.54 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 2jkq h SER 463 CO 0.04 1.02 0.08 0.58 -0.87 0.00 0.00 176.83 177.68 2jkq h VAL 464 N 0.45 1.26 -0.65 0.95 2.07 -1.87 -2.62 116.25 115.84 2jkq h VAL 464 Ca 0.06 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2jkq h VAL 464 Cb 0.79 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2jkq h VAL 464 CO 0.06 0.40 0.41 -0.09 0.02 0.00 0.00 177.57 178.37 2jkq h ARG 465 N 1.02 0.88 0.00 1.57 2.43 -1.52 -0.15 114.38 118.61 2jkq h ARG 465 Ca 0.20 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2jkq h ARG 465 Cb 0.48 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2jkq h ARG 465 CO 0.02 0.62 -0.53 1.49 -1.51 0.00 0.00 179.97 180.05 2jkq h GLU 466 N 0.89 0.00 -0.22 0.20 4.81 -1.42 -1.04 114.58 117.80 2jkq h GLU 466 Ca 0.24 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2jkq h GLU 466 Cb -0.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2jkq h GLU 466 CO -0.05 0.53 -0.34 0.87 -0.73 0.00 0.00 179.01 179.29 2jkq h LYS 467 N 0.00 0.62 -0.52 1.92 1.57 -1.13 -2.73 116.57 116.30 2jkq h LYS 467 Ca -0.01 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 2jkq h LYS 467 Cb 1.04 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2jkq h LYS 467 CO 0.07 0.98 0.03 0.35 -0.57 0.00 0.00 179.45 180.31 2jkq h PHE 468 N 0.32 0.97 0.00 -1.35 3.57 -0.84 -3.22 116.94 116.39 2jkq h PHE 468 Ca 0.02 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 2jkq h PHE 468 Cb 0.93 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2jkq h PHE 468 CO 0.08 0.89 -0.67 -0.07 -2.23 0.00 0.00 178.31 176.32 2jkq h LEU 469 N 0.77 0.00 -2.08 0.59 3.38 -1.28 -2.86 115.31 113.83 2jkq h LEU 469 Ca 0.15 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2jkq h LEU 469 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jkq h LEU 469 CO 0.02 0.67 0.23 -0.61 0.09 0.00 0.00 178.44 178.84 2jkq h GLN 470 N 0.00 0.00 -0.56 1.13 5.75 -1.49 0.16 115.11 120.10 2jkq h GLN 470 Ca -0.01 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2jkq h GLN 470 Cb 1.46 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.99 2jkq h GLN 470 CO 0.09 0.00 -0.01 0.93 -2.65 0.00 0.00 178.83 177.18 2jkq h GLU 471 N 0.00 0.97 -0.25 1.69 5.08 -1.58 -1.47 114.58 119.01 2jkq h GLU 471 Ca 0.14 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2jkq h GLU 471 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jkq h GLU 471 CO -0.00 0.96 0.09 0.00 -1.00 0.00 0.00 179.01 179.06 2jkq h ALA 472 N 1.09 0.33 -0.99 3.43 0.00 -1.11 -2.88 119.26 119.13 2jkq h ALA 472 Ca 0.16 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2jkq h ALA 472 Cb 0.54 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2jkq h ALA 472 CO 0.03 -0.05 0.62 -0.07 0.00 0.00 0.00 179.25 179.78 2jkq h LEU 473 N 0.25 0.89 -0.12 0.00 4.07 -1.16 -1.72 115.31 117.51 2jkq h LEU 473 Ca 0.08 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2jkq h LEU 473 Cb 0.22 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2jkq h LEU 473 CO -0.00 0.46 0.06 0.74 -1.08 0.00 0.00 178.44 178.61 2jkq h THR 474 N 0.95 1.13 -0.24 0.22 2.02 -1.11 -3.08 112.91 112.80 2jkq h THR 474 Ca 0.49 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 2jkq h THR 474 Cb 0.53 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2jkq h THR 474 CO -0.26 0.12 -0.24 0.24 0.37 0.00 0.00 175.52 175.75 2jkq h MET 475 N 0.06 0.44 -0.27 6.66 2.86 -1.24 -2.55 114.93 120.89 2jkq h MET 475 Ca 0.04 -0.16 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2jkq h MET 475 Cb 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2jkq h MET 475 CO -0.00 0.65 0.19 -0.09 1.06 0.00 0.00 176.91 178.72 2jkq h ARG 476 N 0.39 0.00 0.00 1.72 2.43 -1.25 -1.43 114.38 116.25 2jkq h ARG 476 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2jkq h ARG 476 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2jkq h ARG 476 CO 0.05 0.00 0.00 1.96 -1.51 0.00 0.00 179.97 180.47 2jkq h GLN 477 N 0.00 0.00 -6.43 0.20 4.20 -1.40 -3.44 115.11 108.24 2jkq h GLN 477 Ca 0.13 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.14 2jkq h GLN 477 Cb 0.52 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.01 2jkq h GLN 477 CO -0.00 0.00 -0.86 -0.06 -0.67 0.00 0.00 178.83 177.23 2jkq s PHE 478 N -3.52 2.43 -0.37 2.96 0.40 -0.54 -5.08 117.98 114.27 2jkq s PHE 478 Ca 0.01 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2jkq s PHE 478 Cb 0.09 -1.55 0.14 0.00 0.51 0.00 0.00 43.02 42.21 2jkq s PHE 478 CO 0.35 -0.03 0.22 0.34 0.70 0.00 0.00 175.22 176.80 2jkq s ASP 479 N -0.54 3.06 -0.08 1.36 2.15 -1.26 -4.83 116.67 116.53 2jkq s ASP 479 Ca 0.07 -2.27 -0.07 0.00 0.43 0.00 0.00 52.55 50.71 2jkq s ASP 479 Cb -0.11 -0.50 0.02 0.00 -0.30 0.00 0.00 42.92 42.03 2jkq s ASP 479 CO 0.00 -0.30 0.21 -2.28 -0.17 0.00 0.00 175.17 172.63 2jkq s HIS 480 N 0.94 -0.23 0.49 -5.34 2.46 -1.26 -5.05 115.29 107.29 2jkq s HIS 480 Ca 0.18 0.56 0.16 0.00 0.47 0.00 0.00 55.06 56.43 2jkq s HIS 480 Cb -0.23 0.07 1.19 0.00 -0.13 0.00 0.00 32.58 33.48 2jkq s HIS 480 CO 0.01 -0.11 2.06 -1.35 -2.47 0.00 0.00 174.74 172.87 2jkq h PRO 481 N 5.88 0.17 -0.56 2.88 0.11 -2.00 -2.75 132.00 135.73 2jkq h PRO 481 Ca -0.26 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.60 2jkq h PRO 481 Cb 1.19 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 2jkq h PRO 481 CO 0.38 0.11 0.17 0.72 -0.21 0.00 0.00 178.00 179.17 2jkq n HIS 482 N -4.47 1.79 -4.23 0.65 8.25 -1.26 -4.86 115.22 111.09 2jkq n HIS 482 Ca 0.04 -1.48 -0.19 0.00 -0.26 0.00 0.00 57.72 55.83 2jkq n HIS 482 Cb 0.28 -0.61 -0.15 0.00 1.12 0.00 0.00 29.99 30.62 2jkq n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jkq s ILE 483 N -3.15 0.56 0.32 1.59 1.01 -1.04 -2.25 121.20 118.24 2jkq s ILE 483 Ca 0.49 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 2jkq s ILE 483 Cb 0.42 -0.53 -0.11 0.00 0.01 0.00 0.00 42.46 42.25 2jkq s ILE 483 CO 0.06 0.19 1.57 0.54 0.00 0.00 0.00 174.94 177.31 2jkq s VAL 484 N 0.36 2.00 0.08 2.92 0.11 -0.81 -4.58 120.40 120.49 2jkq s VAL 484 Ca -0.05 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 2jkq s VAL 484 Cb -0.09 -3.00 -0.06 0.00 -1.53 0.00 0.00 36.38 31.70 2jkq s VAL 484 CO 0.00 0.00 0.44 -0.75 -3.33 0.00 0.00 175.10 171.47 2jkq s LYS 485 N -1.04 3.85 0.05 1.54 2.47 -1.26 -4.94 119.74 120.41 2jkq s LYS 485 Ca 0.60 0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 55.02 2jkq s LYS 485 Cb -0.48 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 32.82 2jkq s LYS 485 CO 0.54 0.56 1.03 -1.17 0.16 0.00 0.00 175.35 176.47 2jkq s LEU 486 N -1.76 4.41 -0.22 5.43 2.96 -1.26 -1.82 118.68 126.41 2jkq s LEU 486 Ca 0.33 1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 55.86 2jkq s LEU 486 Cb -0.15 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 2jkq s LEU 486 CO 0.17 -0.26 -0.18 -0.38 -1.32 0.00 0.00 176.35 174.39 2jkq n ILE 487 N 3.56 1.51 -3.88 6.68 5.41 0.05 -4.91 119.36 127.80 2jkq n ILE 487 Ca 0.06 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2jkq n ILE 487 Cb 0.49 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 2jkq n ILE 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkq n GLY 488 N 1.39 0.57 3.15 7.39 0.00 -0.86 -4.88 105.19 111.94 2jkq n GLY 488 Ca -0.34 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 2jkq n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jkq s VAL 489 N -2.13 0.94 -0.25 1.61 -7.23 0.42 -0.18 120.40 113.58 2jkq s VAL 489 Ca 0.04 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2jkq s VAL 489 Cb -0.00 -1.03 0.06 0.00 0.56 0.00 0.00 36.38 35.96 2jkq s VAL 489 CO -0.00 -0.34 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.70 2jkq s ILE 490 N -1.58 2.12 -1.64 -0.62 1.01 0.70 -0.64 121.20 120.55 2jkq s ILE 490 Ca -0.02 -1.54 0.21 0.00 0.00 0.00 0.00 60.65 59.30 2jkq s ILE 490 Cb -0.08 -2.21 0.67 0.00 0.01 0.00 0.00 42.46 40.85 2jkq s ILE 490 CO 0.01 0.03 1.57 0.35 0.00 0.00 0.00 174.94 176.90 2jkq n THR 491 N 4.46 1.30 -3.89 2.92 -2.24 -1.26 -1.33 114.28 114.24 2jkq n THR 491 Ca -0.15 -1.08 -0.21 0.00 -2.27 0.00 0.00 64.05 60.35 2jkq n THR 491 Cb 0.43 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2jkq n THR 491 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2jkq s GLU 492 N -1.31 3.28 0.10 -0.78 -1.05 -1.26 -4.91 118.70 112.77 2jkq s GLU 492 Ca 0.49 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 54.14 2jkq s GLU 492 Cb 0.28 -2.82 -0.06 0.00 -0.44 0.00 0.00 34.13 31.10 2jkq s GLU 492 CO 0.30 0.34 1.07 -0.80 0.95 0.00 0.00 175.26 177.12 2jkq s ASN 493 N -4.00 7.30 0.08 0.83 -0.87 -1.26 -2.40 114.94 114.62 2jkq s ASN 493 Ca 0.36 1.92 -0.30 0.00 -1.57 0.00 0.00 52.86 53.27 2jkq s ASN 493 Cb -0.09 -2.59 -0.05 0.00 -0.02 0.00 0.00 41.25 38.50 2jkq s ASN 493 CO 0.29 -0.25 1.07 -2.16 -2.57 0.00 0.00 177.10 173.48 2jkq s PRO 494 N 0.32 4.55 0.15 -0.60 0.04 -1.26 -5.12 135.00 133.08 2jkq s PRO 494 Ca 0.52 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2jkq s PRO 494 Cb -0.26 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 2jkq s PRO 494 CO 0.31 -0.04 1.45 0.08 0.04 0.00 0.00 177.00 178.85 2jkq s VAL 495 N 0.55 3.01 -0.00 -0.36 1.01 -1.01 -4.89 120.40 118.70 2jkq s VAL 495 Ca 0.52 0.74 0.06 0.00 0.00 0.00 0.00 61.98 63.30 2jkq s VAL 495 Cb -0.26 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jkq s VAL 495 CO 0.30 0.06 -0.18 0.26 0.00 0.00 0.00 175.10 175.55 2jkq s TRP 496 N 0.98 1.60 -0.17 5.22 0.51 -0.44 -4.17 118.94 122.48 2jkq s TRP 496 Ca 0.66 -0.31 -0.03 0.00 -2.12 0.00 0.00 56.10 54.29 2jkq s TRP 496 Cb -0.40 -1.02 -0.02 0.00 -0.81 0.00 0.00 33.47 31.23 2jkq s TRP 496 CO 0.32 -0.01 -0.06 0.42 -0.51 0.00 0.00 176.95 177.11 2jkq s ILE 497 N -0.50 3.57 -0.34 2.03 1.01 -0.86 -0.21 121.20 125.90 2jkq s ILE 497 Ca 0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2jkq s ILE 497 Cb -0.07 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.86 2jkq s ILE 497 CO -0.00 0.48 0.12 -0.63 0.00 0.00 0.00 174.94 174.91 2jkq s ILE 498 N 0.63 4.02 0.31 2.92 -1.09 0.75 0.13 121.20 128.87 2jkq s ILE 498 Ca -0.04 -0.95 0.07 0.00 -2.23 0.00 0.00 60.65 57.50 2jkq s ILE 498 Cb -0.15 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2jkq s ILE 498 CO 0.03 -0.13 0.31 -0.04 -1.23 0.00 0.00 174.94 173.88 2jkq s MET 499 N 1.46 2.90 0.51 2.79 -1.94 0.94 -0.77 119.30 125.19 2jkq s MET 499 Ca 0.00 -1.15 -0.21 0.00 -1.71 0.00 0.00 55.69 52.62 2jkq s MET 499 Cb -0.19 -2.59 -0.06 0.00 2.01 0.00 0.00 34.83 34.00 2jkq s MET 499 CO 0.04 0.18 1.19 -1.83 -0.01 0.00 0.00 175.02 174.59 2jkq s GLU 500 N -3.99 3.48 0.05 2.03 -1.05 -0.75 0.00 118.70 118.46 2jkq s GLU 500 Ca 0.39 1.81 -0.19 0.00 -0.15 0.00 0.00 54.97 56.83 2jkq s GLU 500 Cb -0.07 -2.24 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 2jkq s GLU 500 CO 0.27 -0.79 0.57 -1.17 0.95 0.00 0.00 175.26 175.09 2jkq s LEU 501 N -3.40 4.50 -0.53 1.83 2.96 -1.12 -4.12 118.68 118.80 2jkq s LEU 501 Ca 0.68 1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 55.71 2jkq s LEU 501 Cb -0.29 -2.89 0.13 0.00 0.50 0.00 0.00 46.19 43.64 2jkq s LEU 501 CO 0.35 0.23 0.42 0.00 -1.32 0.00 0.00 176.35 176.03 2jkq h THR 503 N 5.91 0.98 -0.00 0.00 1.35 -1.74 -2.59 112.91 116.83 2jkq h THR 503 Ca -0.19 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jkq h THR 503 Cb 1.07 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2jkq h THR 503 CO 0.89 0.06 -0.33 0.18 -0.25 0.00 0.00 175.52 176.07 2jkq n LEU 504 N -4.48 0.34 0.00 3.87 4.77 -0.79 -5.04 117.00 115.67 2jkq n LEU 504 Ca 0.05 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2jkq n LEU 504 Cb 0.22 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2jkq n LEU 504 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2jkq n GLY 505 N 1.50 -0.78 3.79 -0.72 0.00 -0.98 -4.84 105.19 103.16 2jkq n GLY 505 Ca 0.06 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 2jkq n GLY 505 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkq s GLU 506 N 0.00 4.03 0.20 1.61 2.02 -1.26 -0.11 118.70 125.19 2jkq s GLU 506 Ca 0.00 1.46 -0.10 0.00 0.02 0.00 0.00 54.97 56.35 2jkq s GLU 506 Cb 0.00 -2.38 0.14 0.00 0.10 0.00 0.00 34.13 31.99 2jkq s GLU 506 CO 0.00 -0.25 1.80 1.25 0.02 0.00 0.00 175.26 178.08 2jkq h LEU 507 N 2.15 0.94 -0.22 1.80 5.85 -1.29 -2.94 115.31 121.59 2jkq h LEU 507 Ca -0.49 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.13 2jkq h LEU 507 Cb 1.22 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2jkq h LEU 507 CO 0.61 0.79 0.11 0.03 -0.34 0.00 0.00 178.44 179.64 2jkq h ARG 508 N 1.02 0.23 -0.66 1.25 3.08 -1.83 -1.26 114.38 116.21 2jkq h ARG 508 Ca 0.25 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 2jkq h ARG 508 Cb 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2jkq h ARG 508 CO -0.04 0.15 0.19 0.77 -1.07 0.00 0.00 179.97 179.98 2jkq h SER 509 N 0.24 0.95 -0.40 7.04 0.02 -1.93 -2.53 113.55 116.93 2jkq h SER 509 Ca 0.09 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 2jkq h SER 509 Cb 0.02 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2jkq h SER 509 CO -0.06 0.89 0.17 0.15 -1.14 0.00 0.00 176.83 176.84 2jkq h PHE 510 N 0.98 0.60 -0.24 3.45 3.57 -1.30 -1.76 116.94 122.24 2jkq h PHE 510 Ca 0.21 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 2jkq h PHE 510 Cb 0.30 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2jkq h PHE 510 CO 0.02 0.52 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.24 2jkq h LEU 511 N 0.50 0.49 -0.30 0.59 3.38 -1.13 0.12 115.31 118.96 2jkq h LEU 511 Ca 0.13 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2jkq h LEU 511 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jkq h LEU 511 CO -0.01 0.78 -0.27 1.56 0.09 0.00 0.00 178.44 180.58 2jkq h GLN 512 N 0.42 0.72 -0.00 1.13 4.20 -1.35 -2.72 115.11 117.51 2jkq h GLN 512 Ca 0.05 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2jkq h GLN 512 Cb 0.74 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2jkq h GLN 512 CO 0.06 0.99 -0.01 0.28 -0.67 0.00 0.00 178.83 179.48 2jkq h VAL 513 N 0.47 1.62 -0.56 -0.54 2.07 -1.23 -3.29 116.25 114.79 2jkq h VAL 513 Ca 0.05 -1.82 -0.32 0.00 0.82 0.00 0.00 66.70 65.43 2jkq h VAL 513 Cb 0.84 2.85 -0.17 0.00 -1.52 0.00 0.00 31.29 33.29 2jkq h VAL 513 CO 0.07 0.47 0.42 0.54 0.02 0.00 0.00 177.57 179.09 2jkq n ARG 514 N -4.71 1.79 0.01 1.57 1.74 0.02 -4.53 116.66 112.55 2jkq n ARG 514 Ca -0.09 -1.74 0.21 0.00 -0.77 0.00 0.00 57.85 55.46 2jkq n ARG 514 Cb 0.38 -1.68 0.71 0.00 -1.02 0.00 0.00 32.46 30.85 2jkq n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2jkq h LYS 515 N 0.96 0.00 -0.29 5.56 3.64 -1.56 -2.84 116.57 122.04 2jkq h LYS 515 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2jkq h LYS 515 Cb 1.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2jkq h LYS 515 CO 0.73 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.57 2jkq n TYR 516 N -4.26 0.39 -0.94 1.91 4.01 -1.26 -4.39 117.16 112.62 2jkq n TYR 516 Ca 0.10 -0.50 0.01 0.00 -0.16 0.00 0.00 57.90 57.35 2jkq n TYR 516 Cb 0.62 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.63 2jkq n TYR 516 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2jkq n SER 517 N 0.34 0.78 -4.17 7.72 3.41 -1.09 -5.00 113.62 115.62 2jkq n SER 517 Ca 0.10 -1.68 -0.35 0.00 -0.26 0.00 0.00 58.87 56.68 2jkq n SER 517 Cb 0.40 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 2jkq n SER 517 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jkq s LEU 518 N -0.58 3.72 0.74 1.04 1.43 -1.10 -5.11 118.68 118.82 2jkq s LEU 518 Ca 0.04 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.81 2jkq s LEU 518 Cb 0.03 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jkq s LEU 518 CO 0.00 -0.23 1.08 1.51 0.23 0.00 0.00 176.35 178.94 2jkq s ASP 519 N 1.25 4.87 0.46 2.29 3.84 -1.26 -4.92 116.67 123.19 2jkq s ASP 519 Ca -0.05 1.76 0.20 0.00 -0.00 0.00 0.00 52.55 54.46 2jkq s ASP 519 Cb -0.19 -2.51 1.19 0.00 -1.38 0.00 0.00 42.92 40.02 2jkq s ASP 519 CO -0.02 -1.79 1.91 0.25 -0.00 0.00 0.00 175.17 175.52 2jkq h LEU 520 N -0.90 0.27 -1.71 2.11 5.85 -1.99 -1.42 115.31 117.52 2jkq h LEU 520 Ca -0.44 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2jkq h LEU 520 Cb 1.22 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2jkq h LEU 520 CO 0.53 0.12 0.34 0.00 -0.34 0.00 0.00 178.44 179.10 2jkq h ALA 521 N 1.64 2.02 0.07 1.25 0.00 -1.91 -2.58 119.26 119.75 2jkq h ALA 521 Ca 0.38 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.03 2jkq h ALA 521 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jkq h ALA 521 CO -0.10 -0.12 -1.10 0.77 0.00 0.00 0.00 179.25 178.70 2jkq h SER 522 N 0.35 0.42 -0.55 0.00 0.02 -1.61 -2.56 113.55 109.61 2jkq h SER 522 Ca 0.23 -0.40 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 2jkq h SER 522 Cb 0.45 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2jkq h SER 522 CO -0.05 1.26 0.02 -0.07 -1.14 0.00 0.00 176.83 176.84 2jkq h LEU 523 N 0.12 0.96 -0.66 5.07 3.38 -1.52 -2.35 115.31 120.31 2jkq h LEU 523 Ca -0.10 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 2jkq h LEU 523 Cb 1.79 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 2jkq h LEU 523 CO 0.18 1.01 -0.16 0.40 0.09 0.00 0.00 178.44 179.96 2jkq h ILE 524 N 0.91 1.27 -0.43 1.22 2.04 -1.52 -2.56 117.51 118.44 2jkq h ILE 524 Ca 0.17 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.81 2jkq h ILE 524 Cb 0.51 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2jkq h ILE 524 CO 0.02 0.44 0.13 0.25 0.00 0.00 0.00 178.15 178.99 2jkq h LEU 525 N 0.77 0.10 -0.29 1.44 5.85 -1.21 0.11 115.31 122.08 2jkq h LEU 525 Ca 0.12 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2jkq h LEU 525 Cb 0.69 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2jkq h LEU 525 CO 0.05 0.09 0.17 1.88 -0.34 0.00 0.00 178.44 180.29 2jkq h TYR 526 N 0.28 0.31 -0.56 1.25 0.05 -1.25 0.16 116.97 117.20 2jkq h TYR 526 Ca 0.21 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.01 2jkq h TYR 526 Cb 0.23 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2jkq h TYR 526 CO -0.18 0.19 0.36 0.00 -1.05 0.00 0.00 178.16 177.48 2jkq h ALA 527 N 1.13 0.72 0.34 3.88 0.00 -1.14 -1.34 119.26 122.85 2jkq h ALA 527 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jkq h ALA 527 Cb -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jkq h ALA 527 CO -0.05 0.11 -0.16 -0.92 0.00 0.00 0.00 179.25 178.22 2jkq h TYR 528 N 0.72 -0.42 -0.37 0.00 3.20 -0.66 -2.19 116.97 117.25 2jkq h TYR 528 Ca 0.22 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 2jkq h TYR 528 Cb -0.03 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 2jkq h TYR 528 CO -0.05 -0.20 -0.11 1.96 -1.64 0.00 0.00 178.16 178.12 2jkq h GLN 529 N -0.55 -0.03 -0.94 1.82 4.20 -0.54 -0.43 115.11 118.65 2jkq h GLN 529 Ca -0.05 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.74 2jkq h GLN 529 Cb 0.41 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 2jkq h GLN 529 CO 0.08 -0.02 0.61 -0.07 -0.67 0.00 0.00 178.83 178.76 2jkq h LEU 530 N -0.03 0.94 -1.07 1.46 3.38 -1.27 -2.04 115.31 116.69 2jkq h LEU 530 Ca 0.18 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2jkq h LEU 530 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jkq h LEU 530 CO -0.40 0.59 -0.42 0.77 0.09 0.00 0.00 178.44 179.08 2jkq h SER 531 N 1.06 0.10 -0.34 -0.43 4.64 -0.46 0.10 113.55 118.22 2jkq h SER 531 Ca 0.41 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 2jkq h SER 531 Cb 0.22 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2jkq h SER 531 CO -0.16 0.51 0.07 0.71 -0.87 0.00 0.00 176.83 177.08 2jkq h THR 532 N 0.08 1.23 -1.00 2.95 1.35 -0.51 0.29 112.91 117.29 2jkq h THR 532 Ca 0.00 -0.79 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 2jkq h THR 532 Cb 0.78 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.24 2jkq h THR 532 CO 0.06 0.27 0.67 0.00 -0.25 0.00 0.00 175.52 176.26 2jkq h ALA 533 N 0.91 1.28 0.00 6.62 0.00 -0.86 -1.64 119.26 125.56 2jkq h ALA 533 Ca 0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2jkq h ALA 533 Cb 0.33 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jkq h ALA 533 CO 0.00 0.66 -0.79 -0.07 0.00 0.00 0.00 179.25 179.05 2jkq h LEU 534 N 1.36 0.00 -0.82 0.00 3.38 -0.59 -1.53 115.31 117.11 2jkq h LEU 534 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 2jkq h LEU 534 Cb -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2jkq h LEU 534 CO -0.08 0.79 0.01 0.00 0.09 0.00 0.00 178.44 179.25 2jkq h ALA 535 N 1.21 1.02 0.18 1.53 0.00 -0.71 0.29 119.26 122.78 2jkq h ALA 535 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jkq h ALA 535 Cb 1.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jkq h ALA 535 CO 0.10 0.61 -0.09 -0.92 0.00 0.00 0.00 179.25 178.95 2jkq h TYR 536 N 0.83 -0.23 -0.50 0.00 5.03 -0.92 -0.83 116.97 120.34 2jkq h TYR 536 Ca 0.16 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.46 2jkq h TYR 536 Cb 0.48 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 2jkq h TYR 536 CO 0.03 -0.04 0.32 -0.07 -1.32 0.00 0.00 178.16 177.07 2jkq h LEU 537 N -0.37 0.58 -0.26 2.82 3.38 -1.22 -2.28 115.31 117.96 2jkq h LEU 537 Ca -0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jkq h LEU 537 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jkq h LEU 537 CO 0.04 0.43 0.10 -0.08 0.09 0.00 0.00 178.44 179.02 2jkq h GLU 538 N 0.68 0.39 0.00 1.13 4.81 -0.73 0.27 114.58 121.13 2jkq h GLU 538 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2jkq h GLU 538 Cb -0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2jkq h GLU 538 CO -0.04 0.44 0.00 0.66 -0.73 0.00 0.00 179.01 179.34 2jkq h SER 539 N 0.27 0.00 0.30 1.04 4.64 -0.63 0.38 113.55 119.56 2jkq h SER 539 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jkq h SER 539 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2jkq h SER 539 CO -0.01 0.00 -0.56 0.29 -0.87 0.00 0.00 176.83 175.68 2jkq n LYS 540 N -3.02 0.25 -3.48 4.77 4.76 -0.91 -4.97 118.16 115.56 2jkq n LYS 540 Ca -0.01 -0.17 -0.21 0.00 -2.87 0.00 0.00 58.31 55.05 2jkq n LYS 540 Cb 0.19 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.96 2jkq n LYS 540 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jkq n ARG 541 N -1.23 -7.14 -3.74 1.97 1.74 0.13 -5.01 116.66 103.39 2jkq n ARG 541 Ca 0.07 0.75 -0.36 0.00 -0.77 0.00 0.00 57.85 57.53 2jkq n ARG 541 Cb 0.35 -5.55 -0.11 0.00 -1.02 0.00 0.00 32.46 26.14 2jkq n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2jkq s PHE 542 N -3.29 3.23 -0.35 -1.55 2.19 0.85 -5.01 117.98 114.05 2jkq s PHE 542 Ca 0.51 0.04 -0.15 0.00 0.33 0.00 0.00 56.93 57.65 2jkq s PHE 542 Cb -0.22 -2.25 -0.01 0.00 -1.31 0.00 0.00 43.02 39.23 2jkq s PHE 542 CO 0.66 -0.06 0.37 0.08 1.83 0.00 0.00 175.22 178.10 2jkq s VAL 543 N 1.19 5.16 0.02 3.12 1.01 -1.26 -4.30 120.40 125.34 2jkq s VAL 543 Ca 0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 2jkq s VAL 543 Cb -0.14 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 2jkq s VAL 543 CO 0.05 -0.14 1.35 -0.74 0.00 0.00 0.00 175.10 175.61 2jkq h HIS 544 N 8.51 -0.25 0.00 5.22 2.76 -1.95 -3.47 115.15 125.96 2jkq h HIS 544 Ca -0.29 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2jkq h HIS 544 Cb 1.14 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2jkq h HIS 544 CO 0.68 0.06 0.00 0.54 -1.30 0.00 0.00 177.93 177.91 2jkq n ARG 545 N -5.08 0.00 -2.45 5.26 1.74 -1.26 -4.79 116.66 110.08 2jkq n ARG 545 Ca -0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 2jkq n ARG 545 Cb 0.23 -1.63 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 2jkq n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jkq n ASP 546 N 0.00 2.07 -4.61 0.55 4.64 -1.26 -5.00 116.55 112.93 2jkq n ASP 546 Ca 0.00 -2.37 -0.43 0.00 -1.38 0.00 0.00 54.79 50.61 2jkq n ASP 546 Cb 0.00 -0.43 -0.02 0.00 -1.04 0.00 0.00 41.12 39.62 2jkq n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2jkq s ILE 547 N -3.42 3.89 -0.04 5.18 1.01 -1.26 -4.83 121.20 121.73 2jkq s ILE 547 Ca 0.32 0.96 -0.31 0.00 0.00 0.00 0.00 60.65 61.62 2jkq s ILE 547 Cb 0.35 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2jkq s ILE 547 CO -0.04 -0.57 0.68 0.00 0.00 0.00 0.00 174.94 175.00 2jkq s ALA 548 N 5.24 -1.76 0.46 9.38 0.00 -1.26 -4.55 121.76 129.26 2jkq s ALA 548 Ca 0.63 1.28 0.19 0.00 0.00 0.00 0.00 51.96 54.07 2jkq s ALA 548 Cb -0.17 0.03 1.16 0.00 0.00 0.00 0.00 23.12 24.14 2jkq s ALA 548 CO 0.30 -0.39 1.93 0.00 0.00 0.00 0.00 175.76 177.60 2jkq h ALA 549 N 2.95 2.25 -0.46 0.00 0.00 -1.92 0.19 119.26 122.27 2jkq h ALA 549 Ca -0.27 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2jkq h ALA 549 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2jkq h ALA 549 CO 0.39 -0.45 0.38 0.07 0.00 0.00 0.00 179.25 179.64 2jkq h ARG 550 N 0.30 0.00 -0.05 0.00 0.11 -1.96 -0.92 114.38 111.85 2jkq h ARG 550 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 2jkq h ARG 550 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2jkq h ARG 550 CO -0.09 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.07 2jkq n ASN 551 N -4.10 2.42 -4.84 0.08 3.02 0.66 -4.81 115.26 107.71 2jkq n ASN 551 Ca 0.08 -1.81 -0.37 0.00 -0.03 0.00 0.00 54.58 52.45 2jkq n ASN 551 Cb 0.58 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 2jkq n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jkq s VAL 552 N -1.97 5.29 0.26 2.41 1.01 -0.35 -0.97 120.40 126.08 2jkq s VAL 552 Ca 0.32 0.50 0.12 0.00 0.00 0.00 0.00 61.98 62.93 2jkq s VAL 552 Cb 0.20 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2jkq s VAL 552 CO 0.31 0.56 -0.20 -0.76 0.00 0.00 0.00 175.10 175.01 2jkq s LEU 553 N -0.77 2.58 -0.23 3.92 1.43 0.25 -1.10 118.68 124.75 2jkq s LEU 553 Ca 0.18 -0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2jkq s LEU 553 Cb -0.14 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2jkq s LEU 553 CO 0.07 0.05 -0.07 -0.69 0.23 0.00 0.00 176.35 175.95 2jkq s VAL 554 N -2.36 2.90 -0.15 -1.59 1.01 0.84 0.33 120.40 121.39 2jkq s VAL 554 Ca 0.28 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2jkq s VAL 554 Cb -0.06 -2.41 -0.25 0.00 0.00 0.00 0.00 36.38 33.67 2jkq s VAL 554 CO 0.14 0.29 0.57 0.28 0.00 0.00 0.00 175.10 176.38 2jkq h SER 555 N 8.03 0.11 -3.34 3.32 0.02 -0.90 -2.08 113.55 118.70 2jkq h SER 555 Ca -0.36 -0.82 -0.21 0.00 -0.84 0.00 0.00 61.79 59.56 2jkq h SER 555 Cb 1.12 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 2jkq h SER 555 CO 0.59 1.30 -0.12 -1.54 -1.14 0.00 0.00 176.83 175.92 2jkq n SER 556 N -4.39 -0.94 -0.19 3.07 3.41 -1.03 -4.25 113.62 109.30 2jkq n SER 556 Ca -0.20 -2.36 0.14 0.00 -0.26 0.00 0.00 58.87 56.19 2jkq n SER 556 Cb 0.65 1.77 0.46 0.00 -0.26 0.00 0.00 64.21 66.83 2jkq n SER 556 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2jkq h ASN 557 N 1.41 0.48 -0.36 4.04 -0.26 -2.03 -2.14 115.58 116.71 2jkq h ASN 557 Ca -0.19 0.03 -0.18 0.00 -0.56 0.00 0.00 56.30 55.40 2jkq h ASN 557 Cb 0.85 -0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.93 2jkq h ASN 557 CO 0.26 0.25 -0.05 -0.90 -1.06 0.00 0.00 177.43 175.93 2jkq n ASP 558 N -4.50 2.63 -3.25 5.81 3.85 -1.26 -4.94 116.55 114.89 2jkq n ASP 558 Ca 0.15 -3.71 -0.03 0.00 -0.71 0.00 0.00 54.79 50.49 2jkq n ASP 558 Cb 0.50 -0.63 -0.04 0.00 -1.35 0.00 0.00 41.12 39.59 2jkq n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jkq s VAL 560 N 2.68 5.05 -0.04 0.00 -7.23 -1.26 -0.21 120.40 119.39 2jkq s VAL 560 Ca 0.14 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2jkq s VAL 560 Cb -0.14 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.21 2jkq s VAL 560 CO -0.22 -0.11 0.15 -0.54 -0.31 0.00 0.00 175.10 174.07 2jkq s LYS 561 N -3.23 0.30 0.22 4.82 1.02 0.15 -4.75 119.74 118.27 2jkq s LYS 561 Ca 0.33 -0.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.99 2jkq s LYS 561 Cb -0.11 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.23 2jkq s LYS 561 CO 0.27 -0.06 1.59 -0.51 -0.92 0.00 0.00 175.35 175.72 2jkq s LEU 562 N -0.48 4.37 1.10 3.17 1.43 -0.95 0.87 118.68 128.18 2jkq s LEU 562 Ca -0.06 2.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.64 2jkq s LEU 562 Cb -0.04 -3.61 0.26 0.00 0.03 0.00 0.00 46.19 42.83 2jkq s LEU 562 CO 0.01 -0.87 1.26 -0.83 0.23 0.00 0.00 176.35 176.15 2jkq s GLY 563 N 0.85 1.73 -0.06 -3.19 0.00 -0.14 -1.93 107.32 104.59 2jkq s GLY 563 Ca 0.68 -1.23 -0.36 0.00 0.00 0.00 0.00 44.72 43.81 2jkq s GLY 563 CO 0.38 -0.35 1.66 1.34 0.00 0.00 0.00 173.10 176.12 2jkq n ASP 564 N -4.28 2.64 -0.18 1.64 2.03 -1.26 -4.74 116.55 112.40 2jkq n ASP 564 Ca 0.16 1.06 0.02 0.00 0.52 0.00 0.00 54.79 56.55 2jkq n ASP 564 Cb 0.59 -1.27 0.29 0.00 -0.72 0.00 0.00 41.12 40.02 2jkq n ASP 564 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2jkq h PHE 565 N 6.89 0.85 -0.86 -0.67 -1.00 -1.94 -2.05 116.94 118.16 2jkq h PHE 565 Ca -0.47 0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.48 2jkq h PHE 565 Cb 1.30 -0.28 -0.10 0.00 3.61 0.00 0.00 35.95 40.48 2jkq h PHE 565 CO 0.73 0.51 0.44 0.78 -1.61 0.00 0.00 178.31 179.17 2jkq h GLY 566 N 0.89 1.40 -2.14 -1.45 0.00 -1.89 -2.23 103.07 97.66 2jkq h GLY 566 Ca 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jkq h GLY 566 CO -0.07 -0.04 0.00 1.04 0.00 0.00 0.00 176.54 177.47 2jkq n LEU 567 N -4.87 3.12 -4.00 3.11 4.77 -0.77 -4.87 117.00 113.48 2jkq n LEU 567 Ca 0.17 -1.58 -0.31 0.00 -0.03 0.00 0.00 56.01 54.26 2jkq n LEU 567 Cb 0.45 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 2jkq n LEU 567 CO 0.21 0.42 -0.40 -0.44 -1.33 0.00 0.00 177.39 175.85 2jkq s SER 568 N -0.34 4.36 0.02 -1.43 0.01 -0.84 -5.00 113.70 110.47 2jkq s SER 568 Ca 0.24 -1.58 -0.25 0.00 1.31 0.00 0.00 55.95 55.67 2jkq s SER 568 Cb 0.18 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.94 2jkq s SER 568 CO 0.07 -0.27 0.76 -0.22 0.41 0.00 0.00 173.24 173.99 2jkq s LEU 584 N 1.16 4.41 -1.50 2.44 2.96 -1.26 -5.04 118.68 121.85 2jkq s LEU 584 Ca -0.01 1.40 -0.12 0.00 -0.22 0.00 0.00 54.13 55.18 2jkq s LEU 584 Cb -0.19 -3.21 0.01 0.00 0.50 0.00 0.00 46.19 43.29 2jkq s LEU 584 CO -0.08 -0.03 2.48 -0.81 -1.32 0.00 0.00 176.35 176.60 2jkq n PRO 585 N 3.08 3.35 -0.27 0.98 -0.04 -1.26 -4.81 135.00 136.03 2jkq n PRO 585 Ca -0.02 -2.59 0.08 0.00 -0.04 0.00 0.00 63.50 60.93 2jkq n PRO 585 Cb 0.50 -3.03 0.21 0.00 -0.04 0.00 0.00 33.50 31.14 2jkq n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jkq h ILE 586 N 3.52 0.45 0.00 0.52 1.08 -1.95 0.15 117.51 121.27 2jkq h ILE 586 Ca 0.68 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 2jkq h ILE 586 Cb 0.48 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2jkq h ILE 586 CO 1.80 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 179.60 2jkq n LYS 587 N -5.18 0.11 -0.00 2.37 5.02 -1.26 -2.29 118.16 116.92 2jkq n LYS 587 Ca 0.16 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.71 2jkq n LYS 587 Cb 0.53 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 2jkq n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2jkq n TRP 588 N -1.38 0.00 -2.87 2.13 8.01 0.48 -4.92 117.44 118.88 2jkq n TRP 588 Ca 0.05 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.89 2jkq n TRP 588 Cb 0.13 -0.18 -0.06 0.00 -2.01 0.00 0.00 31.31 29.19 2jkq n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2jkq s MET 589 N -2.55 4.40 0.58 -0.99 -1.94 -0.97 -3.93 119.30 113.90 2jkq s MET 589 Ca -0.02 1.15 -0.18 0.00 -1.71 0.00 0.00 55.69 54.93 2jkq s MET 589 Cb 0.07 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 2jkq s MET 589 CO 0.45 0.21 1.12 0.00 -0.01 0.00 0.00 175.02 176.80 2jkq s ALA 590 N -1.77 2.62 0.21 3.03 0.00 -1.26 -4.88 121.76 119.71 2jkq s ALA 590 Ca 0.52 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 2jkq s ALA 590 Cb -0.15 -3.35 0.28 0.00 0.00 0.00 0.00 23.12 19.90 2jkq s ALA 590 CO 0.20 -0.94 1.67 -1.35 0.00 0.00 0.00 175.76 175.34 2jkq h PRO 591 N 0.80 0.12 0.00 0.00 0.11 -1.97 -2.00 132.00 129.06 2jkq h PRO 591 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jkq h PRO 591 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jkq h PRO 591 CO 0.56 0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.48 2jkq h GLU 592 N 0.12 0.00 0.15 1.05 9.09 -1.90 0.28 114.58 123.37 2jkq h GLU 592 Ca 0.31 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.41 2jkq h GLU 592 Cb 0.50 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.63 2jkq h GLU 592 CO -0.51 0.00 -1.30 0.77 0.05 0.00 0.00 179.01 178.03 2jkq h SER 593 N 0.00 0.88 0.47 3.06 0.02 -1.39 -1.03 113.55 115.56 2jkq h SER 593 Ca 0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.09 2jkq h SER 593 Cb 0.47 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2jkq h SER 593 CO 0.00 1.63 -0.23 0.40 -1.14 0.00 0.00 176.83 177.50 2jkq h ILE 594 N 0.25 0.40 -0.26 3.27 2.04 -0.66 -1.30 117.51 121.27 2jkq h ILE 594 Ca -0.20 -0.46 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 2jkq h ILE 594 Cb 1.97 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2jkq h ILE 594 CO 0.25 0.06 -0.50 0.78 0.00 0.00 0.00 178.15 178.74 2jkq h ASN 595 N -0.95 0.79 0.00 1.72 2.35 -0.63 -3.38 115.58 115.48 2jkq h ASN 595 Ca -0.06 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2jkq h ASN 595 Cb 0.59 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2jkq h ASN 595 CO 0.11 1.15 -0.16 0.49 -1.65 0.00 0.00 177.43 177.36 2jkq n PHE 596 N -4.00 0.00 -1.31 1.19 3.72 -0.42 -5.00 117.46 111.64 2jkq n PHE 596 Ca -0.03 -0.34 -0.11 0.00 -0.05 0.00 0.00 57.45 56.92 2jkq n PHE 596 Cb 0.59 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 2jkq n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2jkq n ARG 597 N -0.44 -1.24 -2.62 -1.08 5.12 -0.49 -4.88 116.66 111.03 2jkq n ARG 597 Ca 0.04 0.64 -0.43 0.00 -1.93 0.00 0.00 57.85 56.17 2jkq n ARG 597 Cb 0.55 -4.84 -0.02 0.00 -1.16 0.00 0.00 32.46 26.99 2jkq n ARG 597 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jkq s ARG 598 N -2.91 3.63 -0.29 5.56 3.52 -1.01 -4.92 118.95 122.52 2jkq s ARG 598 Ca 0.00 0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.94 2jkq s ARG 598 Cb 0.00 -3.95 0.01 0.00 -1.56 0.00 0.00 34.95 29.45 2jkq s ARG 598 CO 0.00 -1.48 0.07 -0.06 -0.81 0.00 0.00 175.30 173.01 2jkq s PHE 599 N 4.57 3.15 0.25 5.12 0.40 -1.26 -3.36 117.98 126.86 2jkq s PHE 599 Ca 0.45 -1.10 0.05 0.00 -0.60 0.00 0.00 56.93 55.73 2jkq s PHE 599 Cb -0.08 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 2jkq s PHE 599 CO 0.29 -0.61 0.17 0.25 0.70 0.00 0.00 175.22 176.02 2jkq n THR 600 N 4.84 0.00 0.18 0.64 -2.24 -1.26 -5.01 114.28 111.43 2jkq n THR 600 Ca -0.14 -1.72 0.02 0.00 -2.27 0.00 0.00 64.05 59.94 2jkq n THR 600 Cb 0.47 0.78 0.34 0.00 -2.10 0.00 0.00 70.33 69.83 2jkq n THR 600 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jkq h SER 601 N 1.35 0.01 0.61 3.42 0.02 -1.98 -1.09 113.55 115.89 2jkq h SER 601 Ca -0.19 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2jkq h SER 601 Cb 0.86 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2jkq h SER 601 CO 0.28 0.39 -0.39 0.00 -1.14 0.00 0.00 176.83 175.98 2jkq h ALA 602 N 1.61 1.14 0.03 3.77 0.00 -1.96 -0.55 119.26 123.29 2jkq h ALA 602 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 2jkq h ALA 602 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jkq h ALA 602 CO 0.05 0.48 -0.99 0.66 0.00 0.00 0.00 179.25 179.45 2jkq h SER 603 N 0.00 0.47 -0.97 0.00 4.64 -1.69 -3.02 113.55 112.98 2jkq h SER 603 Ca -0.00 -0.40 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 2jkq h SER 603 Cb 0.80 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 2jkq h SER 603 CO 0.05 1.22 0.64 0.44 -0.87 0.00 0.00 176.83 178.31 2jkq h ASP 604 N 0.18 1.09 -0.63 4.97 3.45 -0.90 -2.37 116.42 122.21 2jkq h ASP 604 Ca -0.09 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.39 2jkq h ASP 604 Cb 1.65 -0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 40.11 2jkq h ASP 604 CO 0.17 0.78 0.37 0.58 -1.57 0.00 0.00 179.24 179.57 2jkq h VAL 605 N 1.28 1.03 -0.11 -1.35 2.07 -1.05 0.25 116.25 118.38 2jkq h VAL 605 Ca 0.37 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2jkq h VAL 605 Cb -0.10 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 2jkq h VAL 605 CO -0.09 0.13 -0.07 -0.25 0.02 0.00 0.00 177.57 177.30 2jkq h TRP 606 N 0.72 -0.18 -0.76 1.57 2.91 -1.38 0.82 115.95 119.64 2jkq h TRP 606 Ca 0.26 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.33 2jkq h TRP 606 Cb 0.08 0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.78 2jkq h TRP 606 CO -0.06 -0.12 0.48 0.52 -1.03 0.00 0.00 178.44 178.23 2jkq h MET 607 N -0.08 0.90 -0.79 2.65 0.00 -0.82 -0.57 114.93 116.23 2jkq h MET 607 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 59.70 59.72 2jkq h MET 607 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 31.60 31.54 2jkq h MET 607 CO -0.16 0.60 0.52 0.35 0.00 0.00 0.00 176.91 178.22 2jkq h PHE 608 N 0.93 1.00 -0.29 -0.22 3.04 -0.16 -1.07 116.94 120.17 2jkq h PHE 608 Ca 0.31 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.35 2jkq h PHE 608 Cb 0.04 -0.34 -0.07 0.00 2.56 0.00 0.00 35.95 38.14 2jkq h PHE 608 CO -0.04 0.63 -0.22 0.78 -2.02 0.00 0.00 178.31 177.44 2jkq h GLY 609 N 1.07 -0.08 0.37 2.40 0.00 0.66 0.14 103.07 107.63 2jkq h GLY 609 Ca 0.29 0.28 0.11 0.00 0.00 0.00 0.00 47.33 48.01 2jkq h GLY 609 CO -0.06 -0.19 0.32 -2.08 0.00 0.00 0.00 176.54 174.53 2jkq h VAL 610 N -0.21 0.78 -0.46 4.60 2.07 -0.83 -2.42 116.25 119.79 2jkq h VAL 610 Ca 0.15 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2jkq h VAL 610 Cb 0.44 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2jkq h VAL 610 CO -0.41 0.10 0.14 0.00 0.02 0.00 0.00 177.57 177.42 2jkq h MET 612 N 0.60 0.62 -0.02 0.00 2.86 -0.51 -1.26 114.93 117.22 2jkq h MET 612 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2jkq h MET 612 Cb 0.27 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2jkq h MET 612 CO -0.00 0.41 0.01 2.35 1.06 0.00 0.00 176.91 180.73 2jkq h TRP 613 N 0.64 0.03 -0.57 -0.22 7.01 -0.86 -1.91 115.95 120.07 2jkq h TRP 613 Ca 0.26 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.36 2jkq h TRP 613 Cb 0.22 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.19 2jkq h TRP 613 CO -0.00 0.22 0.13 0.93 -2.79 0.00 0.00 178.44 176.93 2jkq h GLU 614 N -0.17 0.26 0.22 2.65 5.08 -0.60 0.88 114.58 122.90 2jkq h GLU 614 Ca 0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jkq h GLU 614 Cb 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jkq h GLU 614 CO -0.00 0.17 -0.17 0.82 -1.00 0.00 0.00 179.01 178.82 2jkq h ILE 615 N 0.26 0.62 0.00 3.13 2.04 -1.16 0.51 117.51 122.92 2jkq h ILE 615 Ca 0.29 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 2jkq h ILE 615 Cb 0.42 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2jkq h ILE 615 CO -0.37 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.61 2jkq h LEU 616 N -0.41 0.00 -0.80 1.44 -0.00 -0.95 -0.95 115.31 113.64 2jkq h LEU 616 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2jkq h LEU 616 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2jkq h LEU 616 CO -0.01 0.10 0.00 0.23 -0.00 0.00 0.00 178.44 178.76 2jkq n MET 617 N -4.12 1.51 -3.77 1.13 2.81 0.27 -4.90 117.12 110.05 2jkq n MET 617 Ca -0.03 -0.79 -0.24 0.00 -1.81 0.00 0.00 57.70 54.84 2jkq n MET 617 Cb 0.18 -1.22 0.03 0.00 -0.71 0.00 0.00 33.22 31.50 2jkq n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2jkq n HIS 618 N 0.11 -2.02 -0.90 2.03 8.25 -0.36 -3.34 115.22 118.98 2jkq n HIS 618 Ca 0.09 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 2jkq n HIS 618 Cb 0.20 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.04 2jkq n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jkq n GLY 619 N -1.63 0.56 3.78 -1.41 0.00 0.12 -3.80 105.19 102.82 2jkq n GLY 619 Ca -0.21 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2jkq n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkq s VAL 620 N -2.00 4.51 0.26 1.61 1.01 -1.21 -4.97 120.40 119.61 2jkq s VAL 620 Ca 0.00 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 2jkq s VAL 620 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2jkq s VAL 620 CO 0.00 0.52 0.93 -0.54 0.00 0.00 0.00 175.10 176.01 2jkq s LYS 621 N -1.06 4.74 0.46 2.72 1.02 -1.26 -4.55 119.74 121.81 2jkq s LYS 621 Ca 0.34 1.40 -0.24 0.00 0.02 0.00 0.00 55.97 57.49 2jkq s LYS 621 Cb -0.22 -3.10 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 2jkq s LYS 621 CO 0.24 0.44 1.29 -1.25 -0.92 0.00 0.00 175.35 175.14 2jkq s PRO 622 N -1.50 3.67 -1.05 -1.68 0.04 -1.26 -4.01 135.00 129.21 2jkq s PRO 622 Ca 0.44 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 63.42 2jkq s PRO 622 Cb -0.23 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 2jkq s PRO 622 CO 0.29 -0.71 0.79 1.19 0.04 0.00 0.00 177.00 178.59 2jkq n PHE 623 N -0.37 -2.13 -1.96 0.56 3.01 -1.26 -4.93 117.46 110.38 2jkq n PHE 623 Ca 0.07 0.62 -0.41 0.00 1.01 0.00 0.00 57.45 58.73 2jkq n PHE 623 Cb 0.45 -3.57 -0.02 0.00 -0.01 0.00 0.00 39.48 36.33 2jkq n PHE 623 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2jkq s GLN 624 N -5.30 4.23 0.00 -1.08 1.11 -1.26 -2.99 119.66 114.38 2jkq s GLN 624 Ca 0.39 2.37 0.00 0.00 0.01 0.00 0.00 55.36 58.13 2jkq s GLN 624 Cb -0.12 -3.07 0.00 0.00 -1.01 0.00 0.00 33.01 28.81 2jkq s GLN 624 CO 0.83 -0.45 0.00 0.41 0.01 0.00 0.00 175.29 176.10 2jkq n GLY 625 N 1.85 0.95 3.63 3.09 0.00 -1.26 -4.96 105.19 108.48 2jkq n GLY 625 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2jkq n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkq s VAL 626 N -2.39 5.10 0.41 1.61 1.01 -1.16 -5.06 120.40 119.92 2jkq s VAL 626 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 2jkq s VAL 626 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2jkq s VAL 626 CO 0.00 0.12 1.29 -0.54 0.00 0.00 0.00 175.10 175.97 2jkq s LYS 627 N 2.07 3.96 0.56 2.72 1.02 -1.26 -4.90 119.74 123.92 2jkq s LYS 627 Ca 0.21 2.12 0.34 0.00 0.02 0.00 0.00 55.97 58.66 2jkq s LYS 627 Cb -0.16 -2.74 1.46 0.00 -0.52 0.00 0.00 37.83 35.88 2jkq s LYS 627 CO 0.09 -0.49 1.76 -0.91 -0.92 0.00 0.00 175.35 174.89 2jkq h ASN 628 N 2.65 0.00 0.30 2.83 4.21 -1.97 -0.04 115.58 123.55 2jkq h ASN 628 Ca -0.50 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 56.82 2jkq h ASN 628 Cb 1.25 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2jkq h ASN 628 CO 0.62 0.00 -0.77 0.78 -1.29 0.00 0.00 177.43 176.77 2jkq h ASN 629 N 0.00 0.47 0.57 5.81 2.35 -2.03 -3.19 115.58 119.56 2jkq h ASN 629 Ca 0.47 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2jkq h ASN 629 Cb 2.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.31 2jkq h ASN 629 CO -0.00 1.08 -0.27 0.44 -1.65 0.00 0.00 177.43 177.02 2jkq h ASP 630 N 0.25 0.00 -0.01 5.81 3.45 -1.36 -3.34 116.42 121.22 2jkq h ASP 630 Ca -0.04 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.45 2jkq h ASP 630 Cb 1.36 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.08 2jkq h ASP 630 CO 0.13 0.27 -0.38 0.58 -1.57 0.00 0.00 179.24 178.27 2jkq h VAL 631 N 0.00 0.21 -0.44 -1.35 2.07 -1.53 -2.90 116.25 112.30 2jkq h VAL 631 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2jkq h VAL 631 Cb 0.62 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2jkq h VAL 631 CO 0.03 0.00 -0.04 -0.29 0.02 0.00 0.00 177.57 177.29 2jkq h ILE 632 N -0.53 1.27 -0.97 4.57 6.09 -1.76 -1.80 117.51 124.38 2jkq h ILE 632 Ca 0.06 -1.12 0.07 0.00 -1.37 0.00 0.00 64.86 62.50 2jkq h ILE 632 Cb 0.62 1.10 -0.07 0.00 0.47 0.00 0.00 36.82 38.94 2jkq h ILE 632 CO -0.31 0.38 0.63 1.23 -3.07 0.00 0.00 178.15 177.01 2jkq h GLY 633 N 0.64 1.47 1.20 8.18 0.00 -1.75 -0.58 103.07 112.23 2jkq h GLY 633 Ca 0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 2jkq h GLY 633 CO 0.03 0.31 -0.24 3.21 0.00 0.00 0.00 176.54 179.85 2jkq h ARG 634 N 1.11 0.91 -0.25 4.80 3.08 -1.26 -1.03 114.38 121.74 2jkq h ARG 634 Ca 0.43 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2jkq h ARG 634 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2jkq h ARG 634 CO -0.17 1.05 -0.19 0.82 -1.07 0.00 0.00 179.97 180.41 2jkq h ILE 635 N 0.79 1.24 0.00 2.04 2.04 -0.57 -1.16 117.51 121.89 2jkq h ILE 635 Ca 0.10 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 2jkq h ILE 635 Cb 0.80 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2jkq h ILE 635 CO 0.07 0.36 -0.66 -0.33 0.00 0.00 0.00 178.15 177.58 2jkq h GLU 636 N 0.40 0.00 0.00 2.37 5.08 -1.06 -2.98 114.58 118.40 2jkq h GLU 636 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jkq h GLU 636 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jkq h GLU 636 CO 0.04 0.66 0.00 -0.91 -1.00 0.00 0.00 179.01 177.80 2jkq h ASN 637 N 0.00 0.00 0.00 1.42 -0.26 -0.87 -3.47 115.58 112.41 2jkq h ASN 637 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2jkq h ASN 637 Cb 1.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.66 2jkq h ASN 637 CO 0.09 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.07 2jkq n GLY 638 N -0.14 0.76 3.71 2.83 0.00 -0.97 -5.08 105.19 106.30 2jkq n GLY 638 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jkq n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkq s GLU 639 N -0.50 4.24 0.17 1.61 2.02 -0.48 -4.98 118.70 120.79 2jkq s GLU 639 Ca 0.00 2.29 0.08 0.00 0.02 0.00 0.00 54.97 57.35 2jkq s GLU 639 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2jkq s GLU 639 CO 0.00 -0.58 -0.16 1.03 0.02 0.00 0.00 175.26 175.57 2jkq s ARG 640 N 1.32 1.26 0.26 1.61 1.81 -1.26 -4.29 118.95 119.66 2jkq s ARG 640 Ca 0.69 -1.45 -0.31 0.00 -1.72 0.00 0.00 55.73 52.94 2jkq s ARG 640 Cb -0.42 -1.20 -0.12 0.00 -0.45 0.00 0.00 34.95 32.76 2jkq s ARG 640 CO 0.31 0.23 1.53 1.28 -0.68 0.00 0.00 175.30 177.96 2jkq n LEU 641 N 0.08 3.81 -4.68 2.53 4.77 -1.26 -4.95 117.00 117.29 2jkq n LEU 641 Ca -0.12 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.67 2jkq n LEU 641 Cb 0.58 -1.52 0.13 0.00 -2.33 0.00 0.00 43.42 40.29 2jkq n LEU 641 CO 0.31 -0.11 0.72 -0.81 -1.33 0.00 0.00 177.39 176.17 2jkq n PRO 642 N 2.24 0.06 -2.01 3.23 -0.04 -1.26 -4.96 135.00 132.26 2jkq n PRO 642 Ca 0.10 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 2jkq n PRO 642 Cb 0.34 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 2jkq n PRO 642 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2jkq s MET 643 N -4.17 4.23 0.49 0.54 -2.45 -1.26 -4.98 119.30 111.69 2jkq s MET 643 Ca 0.72 2.24 -0.22 0.00 -1.25 0.00 0.00 55.69 57.18 2jkq s MET 643 Cb -0.28 -3.49 -0.07 0.00 1.25 0.00 0.00 34.83 32.25 2jkq s MET 643 CO 0.52 -0.66 1.20 -2.14 1.05 0.00 0.00 175.02 175.00 2jkq s PRO 644 N 2.20 3.57 0.43 4.11 0.02 -1.26 -4.96 135.00 139.12 2jkq s PRO 644 Ca 0.70 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 63.31 2jkq s PRO 644 Cb -0.39 -2.32 -0.09 0.00 0.02 0.00 0.00 34.50 31.72 2jkq s PRO 644 CO 0.31 -0.73 1.30 -2.30 -0.33 0.00 0.00 177.00 175.25 2jkq n PRO 645 N -0.71 1.97 -0.51 5.54 -0.02 -1.26 -1.83 135.00 138.18 2jkq n PRO 645 Ca 0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2jkq n PRO 645 Cb 0.48 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2jkq n PRO 645 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jkq n ASN 646 N 0.09 0.00 -4.69 2.55 2.04 -1.26 -4.98 115.26 109.00 2jkq n ASN 646 Ca 0.06 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.78 2jkq n ASN 646 Cb 0.40 -1.20 -0.03 0.00 -2.53 0.00 0.00 39.78 36.43 2jkq n ASN 646 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jkq s PRO 648 N 2.23 4.26 0.16 0.00 0.02 -1.26 -4.87 135.00 135.54 2jkq s PRO 648 Ca 0.69 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.81 2jkq s PRO 648 Cb -0.37 -3.30 0.19 0.00 0.02 0.00 0.00 34.50 31.03 2jkq s PRO 648 CO 0.30 -0.56 1.05 -2.30 -0.33 0.00 0.00 177.00 175.16 2jkq n PRO 649 N 4.37 -0.14 0.13 5.54 -0.01 -1.26 -0.56 135.00 143.07 2jkq n PRO 649 Ca 0.13 1.05 0.07 0.00 -0.01 0.00 0.00 63.50 64.74 2jkq n PRO 649 Cb 0.41 -1.56 0.55 0.00 -0.01 0.00 0.00 33.50 32.89 2jkq n PRO 649 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 175.50 177.28 2jkq h THR 650 N 0.00 1.03 -0.04 3.45 1.35 -2.00 -1.12 112.91 115.58 2jkq h THR 650 Ca 0.25 -0.08 -0.19 0.00 -0.55 0.00 0.00 66.41 65.84 2jkq h THR 650 Cb 0.42 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2jkq h THR 650 CO -0.68 0.04 -0.78 0.25 -0.25 0.00 0.00 175.52 174.11 2jkq h LEU 651 N 0.24 0.39 -0.25 3.87 5.85 -1.20 -2.68 115.31 121.53 2jkq h LEU 651 Ca 0.08 -0.27 -0.20 0.00 0.84 0.00 0.00 57.88 58.33 2jkq h LEU 651 Cb 0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2jkq h LEU 651 CO -0.02 1.02 -0.90 0.22 -0.34 0.00 0.00 178.44 178.43 2jkq h TYR 652 N 0.21 0.21 -0.65 1.25 3.20 -1.17 -1.88 116.97 118.14 2jkq h TYR 652 Ca -0.04 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.79 2jkq h TYR 652 Cb 1.36 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.55 2jkq h TYR 652 CO 0.04 0.96 0.32 1.03 -1.64 0.00 0.00 178.16 178.87 2jkq h SER 653 N 0.07 0.44 -0.65 -2.11 0.87 -1.26 -0.27 113.55 110.64 2jkq h SER 653 Ca -0.04 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2jkq h SER 653 Cb 1.54 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.45 2jkq h SER 653 CO 0.13 0.27 0.18 0.25 -0.53 0.00 0.00 176.83 177.14 2jkq h LEU 654 N 0.58 0.96 -0.51 2.23 5.85 -1.23 -1.86 115.31 121.33 2jkq h LEU 654 Ca 0.30 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jkq h LEU 654 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2jkq h LEU 654 CO -0.23 0.93 0.31 0.24 -0.34 0.00 0.00 178.44 179.35 2jkq h MET 655 N 0.95 0.68 0.00 1.25 2.86 -1.01 -1.69 114.93 117.97 2jkq h MET 655 Ca 0.21 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2jkq h MET 655 Cb 0.32 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2jkq h MET 655 CO -0.00 0.48 -0.20 1.79 1.06 0.00 0.00 176.91 180.04 2jkq h THR 656 N 0.68 0.82 -0.04 2.22 1.35 -0.76 -1.63 112.91 115.55 2jkq h THR 656 Ca 0.18 -0.78 -0.17 0.00 -0.55 0.00 0.00 66.41 65.09 2jkq h THR 656 Cb -0.03 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 2jkq h THR 656 CO -0.04 0.20 -0.73 0.11 -0.25 0.00 0.00 175.52 174.81 2jkq h LYS 657 N 0.00 0.24 0.00 4.72 1.57 -0.89 -2.66 116.57 119.56 2jkq h LYS 657 Ca -0.00 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2jkq h LYS 657 Cb 0.45 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2jkq h LYS 657 CO 0.03 0.87 -0.06 0.00 -0.57 0.00 0.00 179.45 179.71 2jkq n TRP 659 N -3.36 2.33 -2.10 0.00 8.01 -0.99 -3.75 117.44 117.58 2jkq n TRP 659 Ca -0.01 -2.09 -0.42 0.00 -1.31 0.00 0.00 57.50 53.67 2jkq n TRP 659 Cb 0.22 -0.81 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 2jkq n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jkq s ALA 660 N -3.45 3.62 0.15 6.99 0.00 -1.13 -4.92 121.76 123.02 2jkq s ALA 660 Ca 0.53 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 2jkq s ALA 660 Cb 0.45 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.95 2jkq s ALA 660 CO 0.03 -1.11 1.68 -0.92 0.00 0.00 0.00 175.76 175.44 2jkq h TYR 661 N 8.44 -0.23 -3.03 0.00 5.03 -1.93 -3.35 116.97 121.91 2jkq h TYR 661 Ca -0.39 0.03 -0.57 0.00 2.58 0.00 0.00 58.73 60.38 2jkq h TYR 661 Cb 1.18 0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.56 2jkq h TYR 661 CO 0.80 -0.16 1.01 0.34 -1.32 0.00 0.00 178.16 178.82 2jkq s ASP 662 N -5.18 6.61 0.00 -2.11 3.68 -1.26 -4.88 116.67 113.53 2jkq s ASP 662 Ca -0.14 1.35 0.08 0.00 2.13 0.00 0.00 52.55 55.97 2jkq s ASP 662 Cb 0.12 -2.54 0.35 0.00 -1.45 0.00 0.00 42.92 39.41 2jkq s ASP 662 CO 0.70 -1.11 1.26 -0.81 0.13 0.00 0.00 175.17 175.34 2jkq n PRO 663 N 7.36 0.00 0.03 4.34 -0.04 -1.26 -2.22 135.00 143.22 2jkq n PRO 663 Ca 0.16 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 2jkq n PRO 663 Cb 0.46 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.81 2jkq n PRO 663 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jkq n SER 664 N -1.49 0.41 0.00 3.54 3.41 -1.26 -3.39 113.62 114.83 2jkq n SER 664 Ca 0.02 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.94 2jkq n SER 664 Cb 0.10 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2jkq n SER 664 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jkq n ARG 665 N -1.72 0.05 -2.36 4.33 5.12 -0.94 -4.91 116.66 116.22 2jkq n ARG 665 Ca 0.06 -0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.57 2jkq n ARG 665 Cb 0.37 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 2jkq n ARG 665 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jkq s ARG 666 N -3.03 4.50 0.38 5.56 0.52 -1.22 -4.94 118.95 120.71 2jkq s ARG 666 Ca 0.08 1.91 -0.25 0.00 -0.52 0.00 0.00 55.73 56.96 2jkq s ARG 666 Cb 0.16 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.45 2jkq s ARG 666 CO 0.80 0.05 1.06 -1.25 0.02 0.00 0.00 175.30 175.98 2jkq s PRO 667 N -1.65 4.24 0.99 3.54 0.04 -1.26 -5.04 135.00 135.86 2jkq s PRO 667 Ca 0.47 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2jkq s PRO 667 Cb -0.34 -2.66 0.18 0.00 0.04 0.00 0.00 34.50 31.73 2jkq s PRO 667 CO 0.44 -0.09 1.08 1.03 0.04 0.00 0.00 177.00 179.50 2jkq s ARG 668 N -2.30 0.50 0.40 4.56 0.52 -1.26 -4.83 118.95 116.54 2jkq s ARG 668 Ca 0.55 0.88 0.18 0.00 -0.52 0.00 0.00 55.73 56.83 2jkq s ARG 668 Cb -0.24 -1.72 0.84 0.00 0.52 0.00 0.00 34.95 34.36 2jkq s ARG 668 CO 0.30 -2.78 1.84 0.74 0.02 0.00 0.00 175.30 175.42 2jkq h PHE 669 N -1.94 0.00 0.00 -0.53 0.04 -1.92 -2.12 116.94 110.46 2jkq h PHE 669 Ca -0.53 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.13 2jkq h PHE 669 Cb 1.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.44 2jkq h PHE 669 CO 0.37 0.33 -0.53 0.00 -0.60 0.00 0.00 178.31 177.89 2jkq h THR 670 N 0.00 1.34 -0.08 -1.55 1.03 -1.90 -2.10 112.91 109.65 2jkq h THR 670 Ca -0.00 -1.82 -0.04 0.00 -0.01 0.00 0.00 66.41 64.54 2jkq h THR 670 Cb 0.69 1.99 -0.00 0.00 -1.07 0.00 0.00 68.15 69.77 2jkq h THR 670 CO 0.04 0.51 -0.09 -0.08 -0.01 0.00 0.00 175.52 175.89 2jkq h GLU 671 N 0.00 0.20 -0.98 0.00 4.81 -1.77 -2.99 114.58 113.85 2jkq h GLU 671 Ca -0.01 -0.11 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2jkq h GLU 671 Cb 0.95 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.26 2jkq h GLU 671 CO 0.07 0.65 0.62 -0.07 -0.73 0.00 0.00 179.01 179.55 2jkq h LEU 672 N -0.23 0.94 -0.50 1.64 3.38 -1.36 -2.07 115.31 117.10 2jkq h LEU 672 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jkq h LEU 672 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2jkq h LEU 672 CO 0.02 0.54 0.25 0.50 0.09 0.00 0.00 178.44 179.84 2jkq h LYS 673 N 1.04 0.71 0.00 1.13 3.64 -1.37 0.13 116.57 121.84 2jkq h LYS 673 Ca 0.46 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 2jkq h LYS 673 Cb 0.35 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2jkq h LYS 673 CO -0.23 0.59 -0.47 0.00 -2.27 0.00 0.00 179.45 177.07 2jkq h ALA 674 N 1.09 0.96 0.23 5.00 0.00 -1.34 -1.98 119.26 123.22 2jkq h ALA 674 Ca 0.17 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.34 2jkq h ALA 674 Cb 0.11 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jkq h ALA 674 CO -0.02 0.59 -1.43 1.96 0.00 0.00 0.00 179.25 180.35 2jkq h GLN 675 N 0.00 0.49 0.00 0.00 1.08 -1.11 -3.16 115.11 112.41 2jkq h GLN 675 Ca -0.00 -0.84 -0.05 0.00 -1.45 0.00 0.00 58.65 56.30 2jkq h GLN 675 Cb 1.00 0.31 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 2jkq h GLN 675 CO 0.06 1.40 -0.23 -0.07 -0.95 0.00 0.00 178.83 179.05 2jkq h LEU 676 N 0.07 0.00 -0.05 1.46 3.38 -0.75 -0.97 115.31 118.45 2jkq h LEU 676 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jkq h LEU 676 Cb 2.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 2jkq h LEU 676 CO 0.25 0.23 0.00 -1.28 0.09 0.00 0.00 178.44 177.73 2jkq h SER 677 N 0.00 0.09 -0.25 -0.43 0.87 -1.44 -1.70 113.55 110.69 2jkq h SER 677 Ca -0.00 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2jkq h SER 677 Cb 0.67 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2jkq h SER 677 CO 0.03 0.38 -0.28 0.71 -0.53 0.00 0.00 176.83 177.14 2jkq h THR 678 N -0.20 1.31 -0.58 2.23 1.35 -1.48 -2.40 112.91 113.15 2jkq h THR 678 Ca 0.02 -1.45 0.10 0.00 -0.55 0.00 0.00 66.41 64.52 2jkq h THR 678 Cb 0.33 1.67 -0.08 0.00 -1.73 0.00 0.00 68.15 68.34 2jkq h THR 678 CO 0.00 0.46 0.15 0.40 -0.25 0.00 0.00 175.52 176.28 2jkq h ILE 679 N 0.35 0.69 -0.04 6.82 2.04 -1.24 -1.40 117.51 124.73 2jkq h ILE 679 Ca 0.04 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2jkq h ILE 679 Cb 0.85 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jkq h ILE 679 CO 0.07 0.05 0.01 0.25 0.00 0.00 0.00 178.15 178.53 2jkq h LEU 680 N 0.29 0.06 -0.65 1.44 5.85 -1.26 -2.44 115.31 118.60 2jkq h LEU 680 Ca 0.30 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2jkq h LEU 680 Cb 0.42 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2jkq h LEU 680 CO -0.36 0.29 0.27 -0.33 -0.34 0.00 0.00 178.44 177.97 2jkq h GLU 681 N -0.17 0.45 -0.86 1.25 4.39 -1.24 0.21 114.58 118.61 2jkq h GLU 681 Ca 0.01 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.82 2jkq h GLU 681 Cb 0.25 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 2jkq h GLU 681 CO 0.00 0.30 0.56 1.49 -1.16 0.00 0.00 179.01 180.19 2jkq h GLU 682 N 0.46 0.65 0.06 2.33 4.57 -1.13 -2.61 114.58 118.91 2jkq h GLU 682 Ca 0.33 -0.04 -0.28 0.00 -1.18 0.00 0.00 59.36 58.19 2jkq h GLU 682 Cb 0.41 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 2jkq h GLU 682 CO -0.31 0.43 -1.49 1.49 -1.18 0.00 0.00 179.01 177.95 2jkq h GLU 683 N 0.67 0.12 0.00 1.92 4.57 -0.60 -2.83 114.58 118.43 2jkq h GLU 683 Ca 0.43 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2jkq h GLU 683 Cb 0.69 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2jkq h GLU 683 CO -0.19 0.91 0.00 0.87 -1.18 0.00 0.00 179.01 179.42 2jkq h LYS 684 N 0.03 0.00 0.07 1.92 1.57 -0.36 -0.12 116.57 119.68 2jkq h LYS 684 Ca -0.21 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.25 2jkq h LYS 684 Cb 1.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.24 2jkq h LYS 684 CO 0.13 0.00 -1.80 -0.07 -0.57 0.00 0.00 179.45 177.14 2jkq h LEU 685 N 0.00 0.22 0.00 2.94 -0.00 -1.47 -3.51 115.31 113.49 2jkq h LEU 685 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2jkq h LEU 685 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2jkq h LEU 685 CO 0.00 1.41 0.00 1.67 -0.00 0.00 0.00 178.44 181.52