#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkk s ASP 414 N 0.00 5.83 0.00 0.55 -1.08 -1.26 -4.95 116.67 115.76 2jkk s ASP 414 Ca 0.00 -0.86 0.30 0.00 -0.52 0.00 0.00 52.55 51.47 2jkk s ASP 414 Cb 0.00 -2.06 1.40 0.00 -1.46 0.00 0.00 42.92 40.80 2jkk s ASP 414 CO 0.00 -0.36 1.96 -1.22 0.52 0.00 0.00 175.17 176.07 2jkk n TYR 415 N 5.04 0.00 -2.42 -5.34 4.01 -1.26 -4.87 117.16 112.32 2jkk n TYR 415 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 2jkk n TYR 415 Cb 0.47 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2jkk n TYR 415 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2jkk s GLU 416 N -2.35 4.44 -0.07 -0.72 2.56 -1.26 -0.77 118.70 120.53 2jkk s GLU 416 Ca 0.34 1.77 0.03 0.00 0.00 0.00 0.00 54.97 57.11 2jkk s GLU 416 Cb 0.21 -3.34 -0.02 0.00 2.00 0.00 0.00 34.13 32.98 2jkk s GLU 416 CO 0.44 -0.24 -0.17 0.42 -0.56 0.00 0.00 175.26 175.15 2jkk s ILE 417 N 0.98 2.79 0.17 -3.70 1.01 -0.13 -4.88 121.20 117.44 2jkk s ILE 417 Ca 0.58 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 2jkk s ILE 417 Cb -0.30 -2.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 2jkk s ILE 417 CO 0.30 0.57 1.45 -1.10 0.00 0.00 0.00 174.94 176.15 2jkk s GLN 418 N -0.30 4.28 0.43 2.79 -1.52 -1.26 -4.59 119.66 119.49 2jkk s GLN 418 Ca 0.02 2.21 0.11 0.00 -1.95 0.00 0.00 55.36 55.75 2jkk s GLN 418 Cb -0.13 -3.18 0.96 0.00 -0.22 0.00 0.00 33.01 30.44 2jkk s GLN 418 CO 0.03 -0.47 2.03 -0.09 -0.25 0.00 0.00 175.29 176.54 2jkk h ARG 419 N 6.26 0.44 0.00 2.91 2.43 -1.96 -1.30 114.38 123.16 2jkk h ARG 419 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jkk h ARG 419 Cb 1.21 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2jkk h ARG 419 CO 0.85 0.29 0.00 0.93 -1.51 0.00 0.00 179.97 180.53 2jkk h GLU 420 N 0.46 0.00 -0.00 0.20 3.07 -2.01 -0.99 114.58 115.31 2jkk h GLU 420 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2jkk h GLU 420 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2jkk h GLU 420 CO -0.05 0.00 -0.06 0.54 -1.40 0.00 0.00 179.01 178.04 2jkk n ARG 421 N -2.41 0.13 -4.38 2.33 1.74 -0.49 -4.83 116.66 108.75 2jkk n ARG 421 Ca -0.01 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.71 2jkk n ARG 421 Cb 0.06 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.88 2jkk n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jkk s ILE 422 N -2.88 3.97 -0.28 0.55 -1.09 -0.38 0.18 121.20 121.27 2jkk s ILE 422 Ca 0.18 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2jkk s ILE 422 Cb 0.19 -2.74 0.04 0.00 -1.58 0.00 0.00 42.46 38.38 2jkk s ILE 422 CO 0.53 0.50 -0.03 -0.70 -1.23 0.00 0.00 174.94 174.01 2jkk s GLU 423 N 0.28 2.56 0.06 2.79 2.12 -0.67 -4.98 118.70 120.87 2jkk s GLU 423 Ca -0.03 -1.17 -0.31 0.00 0.36 0.00 0.00 54.97 53.83 2jkk s GLU 423 Cb -0.14 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 2jkk s GLU 423 CO 0.03 -0.54 1.19 -0.51 -0.54 0.00 0.00 175.26 174.89 2jkk s LEU 424 N 1.27 4.37 0.00 2.70 1.43 -1.26 -1.58 118.68 125.61 2jkk s LEU 424 Ca -0.04 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2jkk s LEU 424 Cb -0.19 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2jkk s LEU 424 CO -0.03 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.71 2jkk n GLY 425 N 3.17 3.56 3.76 -3.19 0.00 0.20 -4.95 105.19 107.74 2jkk n GLY 425 Ca 0.09 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 2jkk n GLY 425 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jkk s ARG 426 N 2.89 3.45 0.18 1.61 1.70 -1.24 -4.57 118.95 122.97 2jkk s ARG 426 Ca 0.00 2.02 -0.32 0.00 -0.47 0.00 0.00 55.73 56.97 2jkk s ARG 426 Cb 0.00 -2.34 -0.11 0.00 -0.57 0.00 0.00 34.95 31.93 2jkk s ARG 426 CO 0.00 -0.88 1.64 0.00 -1.08 0.00 0.00 175.30 174.99 2jkk n ILE 428 N 3.99 0.50 -3.86 0.00 -5.35 0.47 -4.88 119.36 110.24 2jkk n ILE 428 Ca 0.15 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2jkk n ILE 428 Cb 0.37 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2jkk n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jkk n GLY 429 N -0.25 -1.14 3.37 3.28 0.00 -1.11 -4.98 105.19 104.36 2jkk n GLY 429 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 2jkk n GLY 429 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jkk s GLU 430 N -1.72 0.97 0.08 1.61 -1.05 -1.26 -1.16 118.70 116.17 2jkk s GLU 430 Ca 0.00 -0.21 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 2jkk s GLU 430 Cb 0.00 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2jkk s GLU 430 CO 0.00 -0.33 0.04 0.41 0.95 0.00 0.00 175.26 176.32 2jkk n GLY 431 N 0.58 3.90 0.36 -3.83 0.00 0.14 -4.88 105.19 101.46 2jkk n GLY 431 Ca -0.19 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.11 2jkk n GLY 431 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jkk h GLN 432 N 0.00 0.59 0.00 1.61 4.15 -1.97 -2.99 115.11 116.50 2jkk h GLN 432 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2jkk h GLN 432 Cb 0.24 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2jkk h GLN 432 CO 0.09 0.39 -1.52 1.19 -1.93 0.00 0.00 178.83 177.05 2jkk n PHE 433 N -4.81 0.16 -2.03 3.99 3.72 -1.26 -5.07 117.46 112.17 2jkk n PHE 433 Ca 0.26 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2jkk n PHE 433 Cb 0.71 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2jkk n PHE 433 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jkk n GLY 434 N 1.31 -1.97 3.77 1.37 0.00 -1.13 -1.15 105.19 107.39 2jkk n GLY 434 Ca -0.01 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 2jkk n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkk s ASP 435 N -2.11 5.38 -0.10 1.61 1.01 -1.26 -0.68 116.67 120.51 2jkk s ASP 435 Ca 0.00 2.13 0.02 0.00 0.71 0.00 0.00 52.55 55.40 2jkk s ASP 435 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2jkk s ASP 435 CO 0.00 -1.45 -0.15 -0.69 0.21 0.00 0.00 175.17 173.09 2jkk s VAL 436 N -2.00 2.88 0.18 -1.27 1.01 -0.31 -1.14 120.40 119.77 2jkk s VAL 436 Ca 0.71 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 62.05 2jkk s VAL 436 Cb -0.23 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2jkk s VAL 436 CO 0.34 0.55 -0.20 -1.00 0.00 0.00 0.00 175.10 174.78 2jkk s HIS 437 N 0.05 2.39 0.40 5.22 3.76 0.67 -0.39 115.29 127.39 2jkk s HIS 437 Ca -0.06 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 2jkk s HIS 437 Cb -0.15 -1.19 -0.06 0.00 1.11 0.00 0.00 32.58 32.29 2jkk s HIS 437 CO 0.05 0.49 0.75 1.14 -0.85 0.00 0.00 174.74 176.32 2jkk s GLN 438 N -2.65 3.76 0.00 1.40 -2.07 -0.12 0.36 119.66 120.34 2jkk s GLN 438 Ca 0.21 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 2jkk s GLN 438 Cb -0.08 -2.41 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 2jkk s GLN 438 CO 0.11 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.47 2jkk n GLY 439 N -1.29 1.94 3.07 2.60 0.00 0.10 0.58 105.19 112.19 2jkk n GLY 439 Ca 0.02 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 2jkk n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkk s ILE 440 N -2.70 0.88 -0.23 -0.61 -1.09 -0.61 -1.34 121.20 115.50 2jkk s ILE 440 Ca 0.00 -0.59 -0.05 0.00 -2.23 0.00 0.00 60.65 57.78 2jkk s ILE 440 Cb 0.00 -0.76 -0.02 0.00 -1.58 0.00 0.00 42.46 40.10 2jkk s ILE 440 CO 0.00 0.17 0.01 -0.47 -1.23 0.00 0.00 174.94 173.42 2jkk s TYR 441 N -0.41 3.02 -0.02 3.97 5.04 0.16 -1.66 117.35 127.45 2jkk s TYR 441 Ca 0.03 -0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 2jkk s TYR 441 Cb -0.05 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 2jkk s TYR 441 CO -0.00 -0.45 0.06 -1.64 -1.34 0.00 0.00 175.55 172.18 2jkk s MET 442 N 1.52 3.03 -0.04 4.97 -1.94 0.13 -0.84 119.30 126.13 2jkk s MET 442 Ca 0.06 -0.48 -0.16 0.00 -1.71 0.00 0.00 55.69 53.40 2jkk s MET 442 Cb -0.15 -2.84 0.03 0.00 2.01 0.00 0.00 34.83 33.88 2jkk s MET 442 CO 0.00 0.66 0.36 -1.54 -0.01 0.00 0.00 175.02 174.48 2jkk s SER 443 N -1.60 -0.27 0.27 3.03 1.04 -1.26 -4.70 113.70 110.22 2jkk s SER 443 Ca 0.21 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 2jkk s SER 443 Cb -0.12 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.28 2jkk s SER 443 CO 0.12 -0.42 1.50 -2.65 0.98 0.00 0.00 173.24 172.76 2jkk n PRO 444 N 1.46 2.38 -0.99 4.02 -0.02 -1.26 -2.31 135.00 138.29 2jkk n PRO 444 Ca -0.20 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2jkk n PRO 444 Cb 0.56 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2jkk n PRO 444 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jkk n GLU 445 N 2.00 -1.71 -4.34 -0.52 1.02 -1.26 -4.97 120.64 110.86 2jkk n GLU 445 Ca 0.10 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.36 2jkk n GLU 445 Cb 0.34 -4.75 -0.11 0.00 -0.02 0.00 0.00 31.44 26.91 2jkk n GLU 445 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jkk s ASN 446 N -2.00 4.21 0.58 1.62 0.01 -0.98 -5.12 114.94 113.26 2jkk s ASN 446 Ca 0.00 -0.40 -0.20 0.00 -0.71 0.00 0.00 52.86 51.54 2jkk s ASN 446 Cb 0.00 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 2jkk s ASN 446 CO 0.00 0.20 1.25 -0.81 -1.51 0.00 0.00 177.10 176.23 2jkk n PRO 447 N 0.95 1.35 -1.75 -0.60 -0.04 -1.26 -4.51 135.00 129.15 2jkk n PRO 447 Ca -0.15 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 2jkk n PRO 447 Cb 0.52 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2jkk n PRO 447 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkk n ALA 448 N -1.40 2.68 -2.80 0.55 0.00 -1.26 -4.72 120.51 113.56 2jkk n ALA 448 Ca 0.13 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 2jkk n ALA 448 Cb 0.46 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 2jkk n ALA 448 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jkk s MET 449 N -0.35 3.99 0.21 0.00 1.75 -0.02 -4.92 119.30 119.96 2jkk s MET 449 Ca 0.65 -0.33 -0.30 0.00 -1.25 0.00 0.00 55.69 54.46 2jkk s MET 449 Cb -0.49 -3.29 -0.09 0.00 2.84 0.00 0.00 34.83 33.80 2jkk s MET 449 CO 0.47 0.21 1.32 0.00 -0.65 0.00 0.00 175.02 176.37 2jkk s ALA 450 N 0.56 3.54 0.03 4.11 0.00 -1.26 0.39 121.76 129.12 2jkk s ALA 450 Ca 0.04 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 2jkk s ALA 450 Cb -0.13 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2jkk s ALA 450 CO 0.01 -0.56 0.01 0.14 0.00 0.00 0.00 175.76 175.35 2jkk s VAL 451 N 0.04 0.14 0.02 0.00 -7.23 -0.45 -3.03 120.40 109.88 2jkk s VAL 451 Ca 0.57 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 2jkk s VAL 451 Cb -0.37 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.83 2jkk s VAL 451 CO 0.39 -0.62 0.40 0.00 -0.31 0.00 0.00 175.10 174.96 2jkk s ALA 452 N -2.24 3.71 -0.18 1.32 0.00 -0.50 0.01 121.76 123.88 2jkk s ALA 452 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2jkk s ALA 452 Cb -0.04 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.77 2jkk s ALA 452 CO -0.04 0.50 -0.10 0.42 0.00 0.00 0.00 175.76 176.55 2jkk s ILE 453 N -1.16 1.50 -0.10 0.00 1.01 0.16 -0.68 121.20 121.93 2jkk s ILE 453 Ca 0.26 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 2jkk s ILE 453 Cb -0.16 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2jkk s ILE 453 CO 0.14 0.23 0.55 -0.54 0.00 0.00 0.00 174.94 175.32 2jkk s LYS 454 N 1.47 4.37 0.18 2.79 1.02 -0.12 -0.24 119.74 129.21 2jkk s LYS 454 Ca 0.01 0.60 0.08 0.00 0.02 0.00 0.00 55.97 56.67 2jkk s LYS 454 Cb -0.15 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2jkk s LYS 454 CO -0.09 0.14 -0.05 0.95 -0.92 0.00 0.00 175.35 175.39 2jkk s THR 455 N 0.63 3.43 -0.41 2.17 -4.23 -0.29 -1.19 115.64 115.75 2jkk s THR 455 Ca 0.30 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.18 2jkk s THR 455 Cb -0.16 -2.72 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2jkk s THR 455 CO 0.13 -0.13 0.21 0.00 -0.54 0.00 0.00 174.62 174.29 2jkk n LYS 457 N 4.69 0.00 -2.79 0.00 4.81 -0.30 -4.02 118.16 120.55 2jkk n LYS 457 Ca -0.05 0.08 -0.30 0.00 -0.87 0.00 0.00 58.31 57.16 2jkk n LYS 457 Cb 0.42 -0.80 -0.02 0.00 0.02 0.00 0.00 35.03 34.65 2jkk n LYS 457 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jkk n ASN 458 N -0.38 5.24 -4.53 3.14 3.02 -1.26 -5.00 115.26 115.49 2jkk n ASN 458 Ca 0.00 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.44 2jkk n ASN 458 Cb 0.00 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 2jkk n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkk n THR 460 N 6.44 2.43 -3.65 0.00 -2.24 -1.26 -4.84 114.28 111.17 2jkk n THR 460 Ca 0.16 -2.33 -0.13 0.00 -2.27 0.00 0.00 64.05 59.48 2jkk n THR 460 Cb 0.49 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2jkk n THR 460 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jkk s SER 461 N -2.25 -0.31 0.22 3.42 1.04 -1.26 -5.07 113.70 109.48 2jkk s SER 461 Ca 0.43 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 2jkk s SER 461 Cb 0.38 0.43 0.17 0.00 0.10 0.00 0.00 66.02 67.10 2jkk s SER 461 CO 0.04 -0.66 1.76 0.44 0.98 0.00 0.00 173.24 175.80 2jkk h ASP 462 N 3.01 1.06 -0.89 7.02 3.32 -1.98 -1.76 116.42 126.19 2jkk h ASP 462 Ca -0.31 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2jkk h ASP 462 Cb 1.20 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 2jkk h ASP 462 CO 0.43 0.98 0.49 0.77 -1.72 0.00 0.00 179.24 180.19 2jkk h SER 463 N 1.08 1.11 -0.05 6.45 4.64 -1.98 0.20 113.55 125.01 2jkk h SER 463 Ca 0.24 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 2jkk h SER 463 Cb 0.30 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jkk h SER 463 CO -0.01 0.89 -0.30 0.58 -0.87 0.00 0.00 176.83 177.12 2jkk h VAL 464 N 1.24 1.45 -0.95 0.95 2.07 -1.95 -2.12 116.25 116.95 2jkk h VAL 464 Ca 0.31 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 66.13 2jkk h VAL 464 Cb 0.02 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2jkk h VAL 464 CO -0.05 0.50 0.62 0.03 0.02 0.00 0.00 177.57 178.69 2jkk h ARG 465 N -0.24 1.11 -0.40 1.57 3.08 -1.20 -0.23 114.38 118.06 2jkk h ARG 465 Ca -0.02 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 2jkk h ARG 465 Cb 0.96 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2jkk h ARG 465 CO 0.06 0.73 -0.20 1.49 -1.07 0.00 0.00 179.97 180.98 2jkk h GLU 466 N 1.14 0.85 -0.73 0.04 4.22 -0.61 -1.72 114.58 117.77 2jkk h GLU 466 Ca 0.40 -0.37 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2jkk h GLU 466 Cb 0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2jkk h GLU 466 CO -0.14 1.01 0.34 0.87 -2.18 0.00 0.00 179.01 178.91 2jkk h LYS 467 N 0.66 1.05 0.12 1.92 1.57 -0.76 -1.87 116.57 119.26 2jkk h LYS 467 Ca 0.09 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2jkk h LYS 467 Cb 0.76 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2jkk h LYS 467 CO 0.06 0.82 -0.06 0.35 -0.57 0.00 0.00 179.45 180.05 2jkk h PHE 468 N 1.04 -0.15 0.00 -1.35 3.57 -0.93 -3.20 116.94 115.92 2jkk h PHE 468 Ca 0.25 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2jkk h PHE 468 Cb 0.12 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2jkk h PHE 468 CO 0.01 0.06 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.90 2jkk h LEU 469 N -0.34 0.00 -2.12 0.59 3.38 -1.18 -2.12 115.31 113.52 2jkk h LEU 469 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jkk h LEU 469 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jkk h LEU 469 CO 0.03 0.19 -0.08 1.56 0.09 0.00 0.00 178.44 180.23 2jkk h GLN 470 N 0.00 0.00 -0.39 1.13 1.08 -1.33 0.36 115.11 115.96 2jkk h GLN 470 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2jkk h GLN 470 Cb 0.50 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2jkk h GLN 470 CO 0.02 0.08 0.08 0.93 -0.95 0.00 0.00 178.83 178.99 2jkk h GLU 471 N 0.00 0.59 -0.32 1.46 5.08 -1.48 -1.40 114.58 118.51 2jkk h GLU 471 Ca -0.00 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2jkk h GLU 471 Cb 0.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jkk h GLU 471 CO 0.01 0.55 -0.14 0.00 -1.00 0.00 0.00 179.01 178.44 2jkk h ALA 472 N 1.52 0.45 -0.40 3.43 0.00 -1.07 -2.74 119.26 120.45 2jkk h ALA 472 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jkk h ALA 472 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jkk h ALA 472 CO -0.00 0.34 0.26 -0.07 0.00 0.00 0.00 179.25 179.79 2jkk h LEU 473 N 0.43 0.46 0.07 0.00 4.07 -1.16 -0.37 115.31 118.82 2jkk h LEU 473 Ca 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2jkk h LEU 473 Cb 0.66 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2jkk h LEU 473 CO 0.04 0.33 -0.03 0.74 -1.08 0.00 0.00 178.44 178.44 2jkk h THR 474 N 0.54 1.04 0.00 0.22 2.02 -1.21 -3.26 112.91 112.27 2jkk h THR 474 Ca 0.15 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 2jkk h THR 474 Cb -0.06 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2jkk h THR 474 CO -0.03 0.10 -0.37 0.24 0.37 0.00 0.00 175.52 175.82 2jkk h MET 475 N -0.27 0.00 0.00 6.66 2.86 -1.05 -2.44 114.93 120.69 2jkk h MET 475 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2jkk h MET 475 Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2jkk h MET 475 CO 0.02 0.37 -0.03 -0.09 1.06 0.00 0.00 176.91 178.24 2jkk h ARG 476 N 0.00 0.00 0.00 1.72 2.43 -1.13 -2.63 114.38 114.77 2jkk h ARG 476 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jkk h ARG 476 Cb 0.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2jkk h ARG 476 CO 0.05 0.03 -0.12 1.96 -1.51 0.00 0.00 179.97 180.38 2jkk h GLN 477 N 0.00 0.00 -6.18 0.20 4.20 -1.49 -3.45 115.11 108.39 2jkk h GLN 477 Ca -0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.03 2jkk h GLN 477 Cb 0.07 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.69 2jkk h GLN 477 CO 0.00 0.12 -0.67 -0.06 -0.67 0.00 0.00 178.83 177.55 2jkk s PHE 478 N -3.85 2.99 -0.37 2.96 0.08 -0.99 -5.08 117.98 113.73 2jkk s PHE 478 Ca -0.01 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.10 2jkk s PHE 478 Cb 0.11 -1.67 0.15 0.00 -0.57 0.00 0.00 43.02 41.04 2jkk s PHE 478 CO 0.58 0.40 0.28 0.34 -0.10 0.00 0.00 175.22 176.72 2jkk s ASP 479 N -1.27 2.25 -0.13 1.36 2.15 -1.26 -4.88 116.67 114.90 2jkk s ASP 479 Ca 0.16 -2.18 -0.11 0.00 0.43 0.00 0.00 52.55 50.85 2jkk s ASP 479 Cb -0.11 -0.15 0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2jkk s ASP 479 CO 0.06 -0.27 0.33 -2.28 -0.17 0.00 0.00 175.17 172.85 2jkk s HIS 480 N 1.00 -0.37 0.65 -5.34 2.46 -1.26 -5.03 115.29 107.39 2jkk s HIS 480 Ca 0.20 0.90 0.37 0.00 0.47 0.00 0.00 55.06 57.00 2jkk s HIS 480 Cb -0.17 0.13 2.05 0.00 -0.13 0.00 0.00 32.58 34.45 2jkk s HIS 480 CO -0.03 -0.18 2.19 -1.00 -2.47 0.00 0.00 174.74 173.25 2jkk h PRO 481 N 5.65 0.00 -0.09 2.88 0.13 -1.99 -2.72 132.00 135.85 2jkk h PRO 481 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2jkk h PRO 481 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jkk h PRO 481 CO 0.30 0.00 -0.22 0.72 -0.23 0.00 0.00 178.00 178.57 2jkk n HIS 482 N -3.18 0.30 -4.48 1.56 8.25 -1.26 -4.91 115.22 111.50 2jkk n HIS 482 Ca -0.02 -1.31 -0.22 0.00 -0.26 0.00 0.00 57.72 55.91 2jkk n HIS 482 Cb 0.20 -0.27 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 2jkk n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jkk s ILE 483 N -3.10 0.93 0.40 1.59 1.01 -1.03 -1.32 121.20 119.68 2jkk s ILE 483 Ca 0.38 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 2jkk s ILE 483 Cb 0.35 -0.82 -0.10 0.00 0.01 0.00 0.00 42.46 41.90 2jkk s ILE 483 CO -0.01 0.29 1.42 0.68 0.00 0.00 0.00 174.94 177.31 2jkk s VAL 484 N 0.25 2.22 0.02 2.92 -7.23 -0.87 -4.60 120.40 113.11 2jkk s VAL 484 Ca -0.05 0.21 -0.09 0.00 -1.81 0.00 0.00 61.98 60.25 2jkk s VAL 484 Cb -0.10 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 2jkk s VAL 484 CO 0.01 0.04 0.31 -0.75 -0.31 0.00 0.00 175.10 174.41 2jkk s LYS 485 N -2.21 3.66 0.01 4.82 2.20 -1.26 -4.94 119.74 122.03 2jkk s LYS 485 Ca 0.56 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 2jkk s LYS 485 Cb -0.43 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2jkk s LYS 485 CO 0.57 0.64 1.17 -1.17 -0.36 0.00 0.00 175.35 176.21 2jkk s LEU 486 N -1.66 4.34 -0.20 5.43 2.96 -1.26 -1.55 118.68 126.74 2jkk s LEU 486 Ca 0.28 1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 55.95 2jkk s LEU 486 Cb -0.14 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.78 2jkk s LEU 486 CO 0.15 -0.48 0.15 -0.38 -1.32 0.00 0.00 176.35 174.47 2jkk n ILE 487 N 4.16 1.61 -3.21 6.68 2.08 -0.19 -4.91 119.36 125.58 2jkk n ILE 487 Ca 0.09 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.10 2jkk n ILE 487 Cb 0.47 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 2jkk n ILE 487 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jkk n GLY 488 N 1.63 -1.24 3.10 7.39 0.00 -0.92 -4.89 105.19 110.26 2jkk n GLY 488 Ca -0.36 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 2jkk n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jkk s VAL 489 N -3.00 0.35 -0.21 1.61 -7.23 0.05 -0.73 120.40 111.24 2jkk s VAL 489 Ca 0.00 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2jkk s VAL 489 Cb 0.00 -1.34 0.05 0.00 0.56 0.00 0.00 36.38 35.65 2jkk s VAL 489 CO 0.00 -0.86 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.20 2jkk s ILE 490 N -3.36 1.71 -2.01 -0.62 1.01 -0.19 -0.95 121.20 116.78 2jkk s ILE 490 Ca 0.04 -1.13 0.21 0.00 0.00 0.00 0.00 60.65 59.77 2jkk s ILE 490 Cb 0.04 -1.81 0.52 0.00 0.01 0.00 0.00 42.46 41.21 2jkk s ILE 490 CO -0.07 0.11 1.44 0.35 0.00 0.00 0.00 174.94 176.77 2jkk n THR 491 N 4.65 0.80 -3.88 2.92 -2.24 -1.26 -2.07 114.28 113.19 2jkk n THR 491 Ca -0.14 -0.90 -0.31 0.00 -2.27 0.00 0.00 64.05 60.43 2jkk n THR 491 Cb 0.46 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 2jkk n THR 491 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2jkk s GLU 492 N -1.17 3.47 0.18 -0.78 2.02 -1.26 -4.91 118.70 116.25 2jkk s GLU 492 Ca 0.42 -0.38 -0.31 0.00 0.02 0.00 0.00 54.97 54.71 2jkk s GLU 492 Cb 0.23 -3.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.35 2jkk s GLU 492 CO 0.30 0.59 1.50 -0.80 0.02 0.00 0.00 175.26 176.87 2jkk s ASN 493 N -2.50 6.65 0.17 -0.19 0.02 -1.26 -2.84 114.94 115.00 2jkk s ASN 493 Ca 0.36 2.57 -0.27 0.00 -1.02 0.00 0.00 52.86 54.49 2jkk s ASN 493 Cb -0.13 -2.60 -0.08 0.00 0.02 0.00 0.00 41.25 38.46 2jkk s ASN 493 CO 0.27 -0.76 0.85 -2.16 0.02 0.00 0.00 177.10 175.33 2jkk s PRO 494 N 0.74 4.67 0.07 -0.60 0.04 -1.26 -5.12 135.00 133.54 2jkk s PRO 494 Ca 0.66 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 2jkk s PRO 494 Cb -0.42 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 2jkk s PRO 494 CO 0.34 0.49 1.16 0.08 0.04 0.00 0.00 177.00 179.10 2jkk s VAL 495 N -0.92 4.11 0.10 -0.36 1.01 -1.13 -4.91 120.40 118.30 2jkk s VAL 495 Ca 0.39 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.01 2jkk s VAL 495 Cb -0.24 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2jkk s VAL 495 CO 0.28 0.14 -0.21 0.26 0.00 0.00 0.00 175.10 175.57 2jkk s TRP 496 N 0.85 1.83 -0.10 5.22 0.51 -0.88 -2.67 118.94 123.70 2jkk s TRP 496 Ca 0.56 -0.41 0.02 0.00 -2.12 0.00 0.00 56.10 54.15 2jkk s TRP 496 Cb -0.28 -1.01 -0.01 0.00 -0.81 0.00 0.00 33.47 31.35 2jkk s TRP 496 CO 0.30 0.20 -0.17 0.42 -0.51 0.00 0.00 176.95 177.19 2jkk s ILE 497 N -1.11 2.75 -0.17 2.03 1.01 -0.33 -1.02 121.20 124.36 2jkk s ILE 497 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2jkk s ILE 497 Cb -0.10 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 2jkk s ILE 497 CO 0.04 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.77 2jkk s ILE 498 N 0.08 2.83 0.23 2.92 -1.09 0.09 -0.95 121.20 125.32 2jkk s ILE 498 Ca -0.07 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 57.73 2jkk s ILE 498 Cb -0.15 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 2jkk s ILE 498 CO 0.05 0.50 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.06 2jkk s MET 499 N 0.96 1.44 0.39 2.79 -1.94 0.15 -1.02 119.30 122.06 2jkk s MET 499 Ca -0.02 -1.65 -0.27 0.00 -1.71 0.00 0.00 55.69 52.04 2jkk s MET 499 Cb -0.15 -1.31 -0.09 0.00 2.01 0.00 0.00 34.83 35.29 2jkk s MET 499 CO -0.02 0.22 1.33 -1.83 -0.01 0.00 0.00 175.02 174.72 2jkk s GLU 500 N -3.61 4.04 0.03 2.03 -1.05 -0.59 -1.40 118.70 118.15 2jkk s GLU 500 Ca 0.25 2.23 -0.21 0.00 -0.15 0.00 0.00 54.97 57.09 2jkk s GLU 500 Cb -0.02 -2.84 -0.06 0.00 -0.44 0.00 0.00 34.13 30.78 2jkk s GLU 500 CO 0.09 -0.46 0.63 -1.17 0.95 0.00 0.00 175.26 175.30 2jkk s LEU 501 N -2.29 4.46 -0.47 1.83 2.96 -1.17 -4.32 118.68 119.68 2jkk s LEU 501 Ca 0.55 1.26 -0.15 0.00 -0.22 0.00 0.00 54.13 55.57 2jkk s LEU 501 Cb -0.40 -2.99 0.08 0.00 0.50 0.00 0.00 46.19 43.39 2jkk s LEU 501 CO 0.52 0.14 0.39 0.00 -1.32 0.00 0.00 176.35 176.07 2jkk h THR 503 N 5.83 0.29 -0.08 0.00 1.03 -1.76 -2.55 112.91 115.67 2jkk h THR 503 Ca -0.28 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 2jkk h THR 503 Cb 1.10 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 2jkk h THR 503 CO 0.88 0.07 0.00 0.18 -0.01 0.00 0.00 175.52 176.65 2jkk n LEU 504 N -3.35 2.03 0.00 0.00 4.77 -0.58 -5.04 117.00 114.83 2jkk n LEU 504 Ca -0.01 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2jkk n LEU 504 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2jkk n LEU 504 CO 0.28 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2jkk n GLY 505 N 1.23 0.05 3.76 -0.72 0.00 -0.96 -4.73 105.19 103.83 2jkk n GLY 505 Ca 0.17 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 2jkk n GLY 505 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkk s GLU 506 N 0.00 4.39 0.23 1.61 2.02 -1.26 0.17 118.70 125.85 2jkk s GLU 506 Ca 0.00 0.88 -0.07 0.00 0.02 0.00 0.00 54.97 55.81 2jkk s GLU 506 Cb 0.00 -3.33 0.32 0.00 0.10 0.00 0.00 34.13 31.21 2jkk s GLU 506 CO 0.00 0.38 1.81 1.25 0.02 0.00 0.00 175.26 178.72 2jkk h LEU 507 N 5.44 0.62 -0.15 1.80 5.85 -1.41 -2.59 115.31 124.86 2jkk h LEU 507 Ca -0.45 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2jkk h LEU 507 Cb 1.20 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2jkk h LEU 507 CO 0.69 0.38 0.01 0.03 -0.34 0.00 0.00 178.44 179.21 2jkk h ARG 508 N 0.75 0.07 -0.47 1.25 3.08 -1.83 0.08 114.38 117.30 2jkk h ARG 508 Ca 0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2jkk h ARG 508 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2jkk h ARG 508 CO -0.21 0.04 0.30 1.03 -1.07 0.00 0.00 179.97 180.06 2jkk h SER 509 N 0.07 0.55 -0.47 7.04 0.87 -1.92 -2.09 113.55 117.60 2jkk h SER 509 Ca 0.07 -0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2jkk h SER 509 Cb 0.08 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 2jkk h SER 509 CO -0.11 0.42 0.11 0.15 -0.53 0.00 0.00 176.83 176.87 2jkk h PHE 510 N 0.64 0.19 -0.61 2.24 3.57 -1.02 -0.25 116.94 121.70 2jkk h PHE 510 Ca 0.17 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2jkk h PHE 510 Cb -0.05 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2jkk h PHE 510 CO -0.04 0.03 0.08 -0.07 -2.23 0.00 0.00 178.31 176.07 2jkk h LEU 511 N 0.26 0.97 -0.40 0.59 3.38 -0.72 -0.28 115.31 119.10 2jkk h LEU 511 Ca 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jkk h LEU 511 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jkk h LEU 511 CO -0.28 0.98 0.00 1.56 0.09 0.00 0.00 178.44 180.79 2jkk h GLN 512 N 0.94 0.71 -0.10 1.13 4.20 -1.06 -2.58 115.11 118.35 2jkk h GLN 512 Ca 0.19 -0.22 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 2jkk h GLN 512 Cb 0.44 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.17 2jkk h GLN 512 CO 0.01 0.79 -0.87 0.28 -0.67 0.00 0.00 178.83 178.37 2jkk h VAL 513 N 0.54 1.28 -0.60 -0.54 2.07 -0.93 -3.31 116.25 114.76 2jkk h VAL 513 Ca 0.11 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2jkk h VAL 513 Cb 0.47 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2jkk h VAL 513 CO 0.02 0.65 0.00 0.54 0.02 0.00 0.00 177.57 178.80 2jkk n ARG 514 N -3.90 4.28 -0.25 1.57 5.12 -0.13 -4.66 116.66 118.69 2jkk n ARG 514 Ca -0.09 -2.94 0.02 0.00 -1.93 0.00 0.00 57.85 52.92 2jkk n ARG 514 Cb 0.80 -2.08 0.15 0.00 -1.16 0.00 0.00 32.46 30.16 2jkk n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2jkk h LYS 515 N 3.95 0.55 -0.23 5.56 3.64 -1.55 -0.77 116.57 127.73 2jkk h LYS 515 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jkk h LYS 515 Cb 1.70 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2jkk h LYS 515 CO 0.36 0.37 0.00 1.19 -2.27 0.00 0.00 179.45 179.10 2jkk n PHE 516 N -4.89 0.25 -0.06 1.91 3.72 -1.26 -3.44 117.46 113.68 2jkk n PHE 516 Ca 0.12 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jkk n PHE 516 Cb 0.31 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2jkk n PHE 516 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jkk n SER 517 N 0.01 0.28 -4.52 4.37 7.64 -0.37 -5.04 113.62 115.99 2jkk n SER 517 Ca 0.06 -0.61 -0.33 0.00 1.01 0.00 0.00 58.87 59.00 2jkk n SER 517 Cb 0.17 0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 63.80 2jkk n SER 517 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jkk s LEU 518 N -1.10 2.89 0.38 -3.43 1.43 -0.74 -5.11 118.68 113.00 2jkk s LEU 518 Ca 0.00 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2jkk s LEU 518 Cb 0.00 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2jkk s LEU 518 CO 0.00 0.34 0.41 1.51 0.23 0.00 0.00 176.35 178.84 2jkk s ASP 519 N -0.87 5.39 0.28 2.29 -4.77 -1.26 -4.95 116.67 112.78 2jkk s ASP 519 Ca 0.13 -0.52 0.02 0.00 -3.30 0.00 0.00 52.55 48.88 2jkk s ASP 519 Cb -0.11 -0.81 0.60 0.00 -1.09 0.00 0.00 42.92 41.51 2jkk s ASP 519 CO 0.02 -0.55 1.79 0.25 0.70 0.00 0.00 175.17 177.38 2jkk h LEU 520 N 0.99 0.74 -0.99 2.11 5.85 -1.96 -1.67 115.31 120.38 2jkk h LEU 520 Ca -0.43 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2jkk h LEU 520 Cb 1.26 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 2jkk h LEU 520 CO 0.54 0.33 0.64 0.00 -0.34 0.00 0.00 178.44 179.61 2jkk h ALA 521 N 1.58 1.36 -0.46 1.25 0.00 -1.95 -0.58 119.26 120.45 2jkk h ALA 521 Ca 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2jkk h ALA 521 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jkk h ALA 521 CO -0.34 0.44 0.22 0.77 0.00 0.00 0.00 179.25 180.35 2jkk h SER 522 N 1.17 0.61 -0.75 0.00 0.02 -1.71 -0.11 113.55 112.78 2jkk h SER 522 Ca 0.42 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2jkk h SER 522 Cb 0.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2jkk h SER 522 CO -0.17 0.56 0.33 -0.07 -1.14 0.00 0.00 176.83 176.35 2jkk h LEU 523 N 0.61 1.01 -0.50 5.07 3.38 -1.19 -1.32 115.31 122.37 2jkk h LEU 523 Ca 0.16 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2jkk h LEU 523 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jkk h LEU 523 CO -0.02 0.89 -0.14 0.40 0.09 0.00 0.00 178.44 179.65 2jkk h ILE 524 N 1.07 1.27 -0.61 1.22 2.04 -1.01 -2.66 117.51 118.82 2jkk h ILE 524 Ca 0.25 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.87 2jkk h ILE 524 Cb 0.17 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2jkk h ILE 524 CO -0.03 0.45 0.33 0.25 0.00 0.00 0.00 178.15 179.16 2jkk h LEU 525 N 0.85 0.48 -0.66 1.44 5.85 -0.67 0.34 115.31 122.94 2jkk h LEU 525 Ca 0.12 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2jkk h LEU 525 Cb 0.71 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2jkk h LEU 525 CO 0.05 0.32 0.36 1.88 -0.34 0.00 0.00 178.44 180.71 2jkk h TYR 526 N 0.62 0.65 -0.36 1.25 0.05 -1.04 -0.74 116.97 117.40 2jkk h TYR 526 Ca 0.27 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 2jkk h TYR 526 Cb 0.17 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2jkk h TYR 526 CO -0.09 0.30 0.17 0.00 -1.05 0.00 0.00 178.16 177.49 2jkk h ALA 527 N 1.35 0.46 -0.04 3.88 0.00 -1.05 -2.26 119.26 121.60 2jkk h ALA 527 Ca 0.30 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jkk h ALA 527 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jkk h ALA 527 CO -0.19 0.03 -0.12 -0.92 0.00 0.00 0.00 179.25 178.05 2jkk h TYR 528 N 0.44 -0.30 -0.53 0.00 3.20 -0.59 -0.92 116.97 118.26 2jkk h TYR 528 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.05 2jkk h TYR 528 Cb 0.13 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2jkk h TYR 528 CO -0.01 -0.18 0.29 1.96 -1.64 0.00 0.00 178.16 178.57 2jkk h GLN 529 N -0.18 0.54 -0.79 1.82 4.20 -1.05 -1.39 115.11 118.25 2jkk h GLN 529 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2jkk h GLN 529 Cb 0.26 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2jkk h GLN 529 CO -0.15 0.36 0.45 -0.07 -0.67 0.00 0.00 178.83 178.74 2jkk h LEU 530 N 0.55 0.97 -1.88 1.46 3.38 -1.29 -2.28 115.31 116.22 2jkk h LEU 530 Ca 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jkk h LEU 530 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jkk h LEU 530 CO -0.15 0.78 0.08 0.77 0.09 0.00 0.00 178.44 180.02 2jkk h SER 531 N 1.09 0.14 0.21 -0.43 4.64 -0.14 -0.27 113.55 118.79 2jkk h SER 531 Ca 0.28 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.40 2jkk h SER 531 Cb 0.01 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2jkk h SER 531 CO -0.05 0.10 -0.78 0.71 -0.87 0.00 0.00 176.83 175.94 2jkk h THR 532 N 0.16 1.37 -0.62 2.95 1.35 -0.77 -0.08 112.91 117.27 2jkk h THR 532 Ca 0.05 -2.18 -0.07 0.00 -0.55 0.00 0.00 66.41 63.66 2jkk h THR 532 Cb -0.00 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 2jkk h THR 532 CO -0.01 0.66 0.12 0.00 -0.25 0.00 0.00 175.52 176.04 2jkk h ALA 533 N 0.83 0.82 0.01 6.62 0.00 -0.89 -2.21 119.26 124.45 2jkk h ALA 533 Ca -0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 2jkk h ALA 533 Cb 1.38 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jkk h ALA 533 CO 0.14 0.56 -0.94 -0.07 0.00 0.00 0.00 179.25 178.94 2jkk h LEU 534 N 0.92 0.37 -0.91 0.00 3.38 -0.98 -1.84 115.31 116.25 2jkk h LEU 534 Ca 0.19 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jkk h LEU 534 Cb 0.40 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2jkk h LEU 534 CO 0.01 1.12 0.60 0.00 0.09 0.00 0.00 178.44 180.26 2jkk h ALA 535 N 0.85 1.17 -0.17 1.53 0.00 -1.01 0.73 119.26 122.37 2jkk h ALA 535 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jkk h ALA 535 Cb 1.58 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2jkk h ALA 535 CO 0.15 0.51 0.07 -0.92 0.00 0.00 0.00 179.25 179.06 2jkk h TYR 536 N 1.19 0.12 -0.88 0.00 3.20 -1.23 -0.97 116.97 118.40 2jkk h TYR 536 Ca 0.35 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2jkk h TYR 536 Cb -0.08 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 2jkk h TYR 536 CO -0.01 0.07 0.50 -0.07 -1.64 0.00 0.00 178.16 177.00 2jkk h LEU 537 N 0.15 1.10 -0.98 2.82 3.38 -1.14 -2.72 115.31 117.91 2jkk h LEU 537 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jkk h LEU 537 Cb 0.03 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2jkk h LEU 537 CO -0.06 0.87 0.61 -0.08 0.09 0.00 0.00 178.44 179.87 2jkk h GLU 538 N 1.23 1.30 0.00 1.13 4.81 -0.57 -1.28 114.58 121.21 2jkk h GLU 538 Ca 0.31 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2jkk h GLU 538 Cb 0.01 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 2jkk h GLU 538 CO -0.05 0.89 -0.12 0.66 -0.73 0.00 0.00 179.01 179.66 2jkk h SER 539 N 1.33 0.00 0.06 1.04 4.64 -0.88 -1.27 113.55 118.48 2jkk h SER 539 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2jkk h SER 539 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2jkk h SER 539 CO -0.07 0.12 -0.11 0.29 -0.87 0.00 0.00 176.83 176.18 2jkk n LYS 540 N -3.41 1.45 -3.69 4.77 4.76 -0.69 -4.95 118.16 116.40 2jkk n LYS 540 Ca -0.01 -0.93 -0.24 0.00 -2.87 0.00 0.00 58.31 54.26 2jkk n LYS 540 Cb 0.29 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 32.05 2jkk n LYS 540 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jkk n ARG 541 N 0.04 -6.39 -3.97 1.97 1.74 -0.48 -5.00 116.66 104.57 2jkk n ARG 541 Ca 0.16 0.72 -0.35 0.00 -0.77 0.00 0.00 57.85 57.60 2jkk n ARG 541 Cb 0.39 -5.62 -0.13 0.00 -1.02 0.00 0.00 32.46 26.08 2jkk n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2jkk s PHE 542 N -3.39 3.00 -0.27 -1.55 5.36 -0.57 -5.03 117.98 115.54 2jkk s PHE 542 Ca 0.40 -0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 55.56 2jkk s PHE 542 Cb -0.19 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2jkk s PHE 542 CO 0.78 -0.39 0.38 0.08 -1.46 0.00 0.00 175.22 174.60 2jkk s VAL 543 N 1.29 5.17 0.00 3.12 1.01 -1.26 -4.36 120.40 125.38 2jkk s VAL 543 Ca 0.04 0.58 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 2jkk s VAL 543 Cb -0.15 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 2jkk s VAL 543 CO 0.00 0.16 1.21 -0.74 0.00 0.00 0.00 175.10 175.73 2jkk h HIS 544 N 8.15 -0.37 0.00 5.22 2.76 -1.96 -3.48 115.15 125.47 2jkk h HIS 544 Ca -0.32 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 2jkk h HIS 544 Cb 1.16 0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2jkk h HIS 544 CO 0.76 -0.03 0.00 0.54 -1.30 0.00 0.00 177.93 177.89 2jkk n ARG 545 N -5.12 0.00 -2.56 5.26 1.74 -1.26 -4.82 116.66 109.89 2jkk n ARG 545 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 2jkk n ARG 545 Cb 0.26 -1.32 0.03 0.00 -1.02 0.00 0.00 32.46 30.41 2jkk n ARG 545 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2jkk n ASP 546 N 0.00 2.74 -4.62 0.55 8.00 -1.26 -5.00 116.55 116.97 2jkk n ASP 546 Ca 0.00 -2.89 -0.42 0.00 0.71 0.00 0.00 54.79 52.19 2jkk n ASP 546 Cb 0.00 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 2jkk n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jkk s ILE 547 N -4.06 4.84 -0.13 0.53 1.01 -1.26 -4.83 121.20 117.29 2jkk s ILE 547 Ca 0.35 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 2jkk s ILE 547 Cb 0.40 -4.10 0.10 0.00 0.01 0.00 0.00 42.46 38.87 2jkk s ILE 547 CO -0.03 -0.18 0.86 0.00 0.00 0.00 0.00 174.94 175.59 2jkk s ALA 548 N 2.84 -1.86 0.43 9.38 0.00 -1.26 -4.64 121.76 126.64 2jkk s ALA 548 Ca 0.31 1.54 0.22 0.00 0.00 0.00 0.00 51.96 54.02 2jkk s ALA 548 Cb -0.15 -0.53 1.19 0.00 0.00 0.00 0.00 23.12 23.63 2jkk s ALA 548 CO 0.11 -0.33 1.79 0.00 0.00 0.00 0.00 175.76 177.33 2jkk h ALA 549 N 3.04 2.39 0.00 0.00 0.00 -1.92 -1.06 119.26 121.71 2jkk h ALA 549 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jkk h ALA 549 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jkk h ALA 549 CO 0.31 -0.77 0.00 0.07 0.00 0.00 0.00 179.25 178.85 2jkk h ARG 550 N 0.32 0.00 -0.65 0.00 0.11 -1.96 -1.88 114.38 110.31 2jkk h ARG 550 Ca 0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.66 2jkk h ARG 550 Cb 1.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.69 2jkk h ARG 550 CO -0.23 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.93 2jkk n ASN 551 N -3.02 3.85 -4.69 0.08 3.02 -0.40 -4.86 115.26 109.24 2jkk n ASN 551 Ca -0.01 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 2jkk n ASN 551 Cb 0.17 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.82 2jkk n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jkk s VAL 552 N -1.11 4.85 0.17 2.41 1.01 -0.70 -0.98 120.40 126.04 2jkk s VAL 552 Ca 0.47 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2jkk s VAL 552 Cb 0.25 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2jkk s VAL 552 CO 0.33 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 175.27 2jkk s LEU 553 N -0.09 3.61 -0.33 3.92 1.43 0.39 -1.31 118.68 126.30 2jkk s LEU 553 Ca 0.07 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2jkk s LEU 553 Cb -0.12 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2jkk s LEU 553 CO 0.01 0.07 0.14 -0.69 0.23 0.00 0.00 176.35 176.11 2jkk s VAL 554 N -1.76 4.22 -0.02 -1.59 1.01 0.13 -1.51 120.40 120.87 2jkk s VAL 554 Ca 0.30 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2jkk s VAL 554 Cb -0.10 -3.28 -0.30 0.00 0.00 0.00 0.00 36.38 32.71 2jkk s VAL 554 CO 0.22 -0.08 0.77 -1.28 0.00 0.00 0.00 175.10 174.72 2jkk h SER 555 N 8.31 0.52 -5.13 3.32 0.87 -0.99 -1.55 113.55 118.92 2jkk h SER 555 Ca -0.28 -0.75 -0.00 0.00 -1.23 0.00 0.00 61.79 59.53 2jkk h SER 555 Cb 1.11 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.84 2jkk h SER 555 CO 0.63 1.62 0.06 0.00 -0.53 0.00 0.00 176.83 178.61 2jkk s ALA 556 N -2.60 -0.69 0.64 6.23 0.00 -0.88 -4.39 121.76 120.07 2jkk s ALA 556 Ca -0.12 -0.63 0.39 0.00 0.00 0.00 0.00 51.96 51.59 2jkk s ALA 556 Cb 0.06 0.95 2.19 0.00 0.00 0.00 0.00 23.12 26.32 2jkk s ALA 556 CO 0.86 -0.95 2.33 1.79 0.00 0.00 0.00 175.76 179.79 2jkk h THR 557 N 2.12 0.21 -0.28 0.00 1.35 -2.03 -1.49 112.91 112.79 2jkk h THR 557 Ca -0.23 -0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.51 2jkk h THR 557 Cb 1.25 1.00 -0.07 0.00 -1.73 0.00 0.00 68.15 68.60 2jkk h THR 557 CO 0.30 0.00 -0.10 -0.90 -0.25 0.00 0.00 175.52 174.58 2jkk n ASP 558 N -3.39 2.67 -3.60 5.36 5.75 -1.26 -4.98 116.55 117.10 2jkk n ASP 558 Ca -0.03 -3.59 -0.06 0.00 -0.01 0.00 0.00 54.79 51.09 2jkk n ASP 558 Cb 0.08 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 2jkk n ASP 558 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jkk s VAL 560 N 2.68 2.69 -0.05 0.00 -7.23 -1.26 -0.33 120.40 116.91 2jkk s VAL 560 Ca -0.00 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2jkk s VAL 560 Cb -0.12 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2jkk s VAL 560 CO -0.15 -0.22 0.20 -0.54 -0.31 0.00 0.00 175.10 174.08 2jkk s LYS 561 N -3.04 0.36 0.22 4.82 1.02 -0.57 -4.71 119.74 117.84 2jkk s LYS 561 Ca 0.25 0.04 -0.32 0.00 0.02 0.00 0.00 55.97 55.97 2jkk s LYS 561 Cb -0.07 0.16 -0.12 0.00 -0.52 0.00 0.00 37.83 37.28 2jkk s LYS 561 CO 0.13 -0.07 1.67 1.28 -0.92 0.00 0.00 175.35 177.44 2jkk n LEU 562 N 2.34 3.93 0.00 3.17 4.77 -0.44 -0.46 117.00 130.32 2jkk n LEU 562 Ca -0.17 1.09 -0.05 0.00 -0.03 0.00 0.00 56.01 56.85 2jkk n LEU 562 Cb 0.57 -1.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.15 2jkk n LEU 562 CO 0.20 0.09 0.13 0.61 -1.33 0.00 0.00 177.39 177.09 2jkk n GLY 563 N 3.43 -1.82 3.75 -0.72 0.00 -0.15 -2.05 105.19 107.62 2jkk n GLY 563 Ca 0.14 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2jkk n GLY 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkk s ASP 564 N -1.94 6.50 0.20 1.61 2.15 -1.26 -4.70 116.67 119.23 2jkk s ASP 564 Ca 0.13 2.83 -0.04 0.00 0.43 0.00 0.00 52.55 55.89 2jkk s ASP 564 Cb -0.01 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 40.12 2jkk s ASP 564 CO 0.09 -0.81 1.55 -0.26 -0.17 0.00 0.00 175.17 175.57 2jkk h PHE 565 N 4.82 0.79 -0.30 -5.34 -1.00 -1.93 -1.04 116.94 112.94 2jkk h PHE 565 Ca -0.47 -0.24 0.02 0.00 2.81 0.00 0.00 57.97 60.09 2jkk h PHE 565 Cb 1.22 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 2jkk h PHE 565 CO 0.59 0.97 0.15 0.78 -1.61 0.00 0.00 178.31 179.19 2jkk h GLY 566 N 0.99 0.41 2.00 -1.45 0.00 -1.91 -2.74 103.07 100.37 2jkk h GLY 566 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2jkk h GLY 566 CO 0.09 0.09 -0.01 1.41 0.00 0.00 0.00 176.54 178.11 2jkk h LEU 567 N 0.32 0.00 -1.08 3.11 3.38 -1.89 -2.83 115.31 116.33 2jkk h LEU 567 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jkk h LEU 567 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jkk h LEU 567 CO -0.08 0.01 -0.04 0.28 0.09 0.00 0.00 178.44 178.69 2jkk h SER 568 N 0.00 0.00 -3.16 -0.43 0.02 -0.87 -3.49 113.55 105.62 2jkk h SER 568 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2jkk h SER 568 Cb 0.53 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2jkk h SER 568 CO 0.00 0.04 -0.22 -0.13 -1.14 0.00 0.00 176.83 175.38 2jkk s ARG 569 N -3.56 3.78 -0.07 3.45 1.81 -1.07 -4.89 118.95 118.40 2jkk s ARG 569 Ca 0.02 0.20 -0.24 0.00 -1.72 0.00 0.00 55.73 53.99 2jkk s ARG 569 Cb 0.08 -2.96 -0.03 0.00 -0.45 0.00 0.00 34.95 31.59 2jkk s ARG 569 CO 0.59 0.53 0.74 -0.51 -0.68 0.00 0.00 175.30 175.96 2jkk s LEU 584 N -2.03 4.31 -1.50 2.53 1.43 -1.26 -5.13 118.68 117.03 2jkk s LEU 584 Ca 0.35 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 2jkk s LEU 584 Cb -0.14 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2jkk s LEU 584 CO 0.19 -0.15 2.48 -0.81 0.23 0.00 0.00 176.35 178.29 2jkk n PRO 585 N 3.89 3.31 -0.33 1.29 -0.04 -1.26 -4.81 135.00 137.05 2jkk n PRO 585 Ca -0.00 -2.57 0.04 0.00 -0.04 0.00 0.00 63.50 60.93 2jkk n PRO 585 Cb 0.51 -3.05 0.11 0.00 -0.04 0.00 0.00 33.50 31.04 2jkk n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jkk h ILE 586 N 3.55 0.08 0.00 0.52 1.08 -1.95 -1.46 117.51 119.32 2jkk h ILE 586 Ca 0.68 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.15 2jkk h ILE 586 Cb 0.49 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2jkk h ILE 586 CO 1.81 0.00 0.00 0.11 -0.69 0.00 0.00 178.15 179.38 2jkk h LYS 587 N -0.00 0.00 0.00 2.37 1.57 -1.92 -2.08 116.57 116.51 2jkk h LYS 587 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2jkk h LYS 587 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2jkk h LYS 587 CO -0.94 0.00 -1.24 0.91 -0.57 0.00 0.00 179.45 177.61 2jkk n TRP 588 N -2.67 0.00 -3.10 -1.35 8.01 -0.57 -4.92 117.44 112.84 2jkk n TRP 588 Ca -0.01 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.82 2jkk n TRP 588 Cb 0.15 -0.16 -0.06 0.00 -2.01 0.00 0.00 31.31 29.24 2jkk n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2jkk s MET 589 N -2.98 4.27 0.60 -0.99 -1.94 -0.78 -3.95 119.30 113.53 2jkk s MET 589 Ca 0.02 0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 54.70 2jkk s MET 589 Cb 0.14 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 2jkk s MET 589 CO 0.79 0.43 1.18 0.00 -0.01 0.00 0.00 175.02 177.40 2jkk s ALA 590 N -1.46 2.54 0.28 3.03 0.00 -1.26 -4.83 121.76 120.05 2jkk s ALA 590 Ca 0.41 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2jkk s ALA 590 Cb -0.17 -3.42 0.51 0.00 0.00 0.00 0.00 23.12 20.04 2jkk s ALA 590 CO 0.21 -1.14 1.84 -1.00 0.00 0.00 0.00 175.76 175.67 2jkk h PRO 591 N 0.77 0.98 -0.04 0.00 0.13 -1.95 -1.18 132.00 130.69 2jkk h PRO 591 Ca -0.50 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2jkk h PRO 591 Cb 1.28 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jkk h PRO 591 CO 0.55 0.65 0.01 1.05 -0.23 0.00 0.00 178.00 180.02 2jkk h GLU 592 N 1.01 0.06 -0.05 0.86 4.11 -1.89 0.29 114.58 118.97 2jkk h GLU 592 Ca 0.48 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.73 2jkk h GLU 592 Cb 0.42 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.67 2jkk h GLU 592 CO -0.25 0.06 -0.64 0.77 0.07 0.00 0.00 179.01 179.03 2jkk h SER 593 N 0.06 0.64 0.08 3.06 0.02 -1.23 -1.78 113.55 114.40 2jkk h SER 593 Ca 0.02 -0.70 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2jkk h SER 593 Cb 0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2jkk h SER 593 CO -0.00 1.26 -0.04 0.40 -1.14 0.00 0.00 176.83 177.31 2jkk h ILE 594 N 0.09 1.06 0.00 3.27 2.04 -0.93 -1.95 117.51 121.10 2jkk h ILE 594 Ca -0.07 -0.51 -0.22 0.00 1.00 0.00 0.00 64.86 65.07 2jkk h ILE 594 Cb 1.31 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2jkk h ILE 594 CO 0.13 0.13 -0.92 0.78 0.00 0.00 0.00 178.15 178.26 2jkk h ASN 595 N -0.34 0.45 0.00 1.72 -0.26 -0.55 -3.39 115.58 113.21 2jkk h ASN 595 Ca -0.01 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 2jkk h ASN 595 Cb 0.29 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2jkk h ASN 595 CO 0.02 1.16 0.00 0.49 -1.06 0.00 0.00 177.43 178.04 2jkk n PHE 596 N -3.72 0.00 -3.04 1.19 3.72 -0.71 -5.01 117.46 109.90 2jkk n PHE 596 Ca -0.06 -0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 57.03 2jkk n PHE 596 Cb 0.83 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 2jkk n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2jkk n ARG 597 N -0.10 -3.74 -3.43 -1.08 1.74 -0.73 -4.94 116.66 104.38 2jkk n ARG 597 Ca 0.00 0.70 -0.37 0.00 -0.77 0.00 0.00 57.85 57.41 2jkk n ARG 597 Cb 0.27 -5.45 -0.07 0.00 -1.02 0.00 0.00 32.46 26.19 2jkk n ARG 597 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jkk s ARG 598 N -5.69 4.27 -0.17 5.56 0.52 -0.97 -4.93 118.95 117.54 2jkk s ARG 598 Ca 0.28 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 2jkk s ARG 598 Cb -0.14 -3.45 0.04 0.00 0.52 0.00 0.00 34.95 31.92 2jkk s ARG 598 CO 0.35 0.16 -0.08 -0.06 0.02 0.00 0.00 175.30 175.68 2jkk s PHE 599 N 0.69 1.98 0.33 -0.53 0.08 -1.26 -3.28 117.98 115.98 2jkk s PHE 599 Ca 0.20 -1.23 0.05 0.00 0.12 0.00 0.00 56.93 56.07 2jkk s PHE 599 Cb -0.14 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2jkk s PHE 599 CO 0.07 -0.65 0.22 0.95 -0.10 0.00 0.00 175.22 175.70 2jkk s THR 600 N 1.54 0.15 0.41 0.64 -4.23 -1.26 -4.99 115.64 107.91 2jkk s THR 600 Ca 0.01 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 2jkk s THR 600 Cb -0.15 -2.47 0.25 0.00 1.34 0.00 0.00 72.50 71.47 2jkk s THR 600 CO -0.08 0.00 2.05 0.28 -0.54 0.00 0.00 174.62 176.32 2jkk h SER 601 N 2.14 0.42 -0.25 3.99 0.02 -1.99 0.84 113.55 118.72 2jkk h SER 601 Ca -0.29 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 2jkk h SER 601 Cb 1.24 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2jkk h SER 601 CO 0.44 0.33 -0.18 0.00 -1.14 0.00 0.00 176.83 176.27 2jkk h ALA 602 N 1.75 0.99 -0.05 3.77 0.00 -1.93 0.13 119.26 123.92 2jkk h ALA 602 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2jkk h ALA 602 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jkk h ALA 602 CO -0.02 0.60 -0.72 0.66 0.00 0.00 0.00 179.25 179.76 2jkk h SER 603 N 0.62 0.31 -0.68 0.00 4.64 -1.70 -2.62 113.55 114.11 2jkk h SER 603 Ca 0.10 -0.21 0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2jkk h SER 603 Cb 0.65 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.57 2jkk h SER 603 CO 0.05 0.93 0.30 0.44 -0.87 0.00 0.00 176.83 177.67 2jkk h ASP 604 N 0.18 0.34 -0.36 4.97 3.32 -0.28 -2.43 116.42 122.15 2jkk h ASP 604 Ca -0.02 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2jkk h ASP 604 Cb 1.29 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 2jkk h ASP 604 CO 0.11 0.18 0.16 0.58 -1.72 0.00 0.00 179.24 178.56 2jkk h VAL 605 N 0.50 0.95 -0.38 -1.35 2.07 -0.67 -0.41 116.25 116.96 2jkk h VAL 605 Ca 0.35 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.83 2jkk h VAL 605 Cb 0.42 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2jkk h VAL 605 CO -0.31 0.06 -0.24 -0.25 0.02 0.00 0.00 177.57 176.85 2jkk h TRP 606 N 0.34 -0.63 -0.67 1.57 2.91 -1.24 -1.22 115.95 117.00 2jkk h TRP 606 Ca 0.16 0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 2jkk h TRP 606 Cb 0.09 0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.05 2jkk h TRP 606 CO -0.11 -0.32 0.31 0.52 -1.03 0.00 0.00 178.44 177.81 2jkk h MET 607 N -0.18 0.96 -0.69 2.65 0.00 -0.84 -2.01 114.93 114.82 2jkk h MET 607 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 59.70 59.69 2jkk h MET 607 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 31.60 31.86 2jkk h MET 607 CO -0.49 0.75 0.21 0.35 0.00 0.00 0.00 176.91 177.74 2jkk h PHE 608 N 0.96 1.10 -0.48 -0.22 3.57 -0.71 0.45 116.94 121.60 2jkk h PHE 608 Ca 0.23 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.72 2jkk h PHE 608 Cb 0.12 -0.32 -0.08 0.00 2.79 0.00 0.00 35.95 38.46 2jkk h PHE 608 CO 0.01 0.87 -0.05 0.78 -2.23 0.00 0.00 178.31 177.69 2jkk h GLY 609 N 1.08 0.43 1.02 2.40 0.00 -0.50 0.11 103.07 107.60 2jkk h GLY 609 Ca 0.22 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 2jkk h GLY 609 CO -0.01 -0.16 0.27 -2.08 0.00 0.00 0.00 176.54 174.57 2jkk h VAL 610 N 0.06 1.24 -0.83 4.60 2.07 -1.00 -2.08 116.25 120.32 2jkk h VAL 610 Ca 0.24 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2jkk h VAL 610 Cb 0.36 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2jkk h VAL 610 CO -0.44 0.30 0.48 0.00 0.02 0.00 0.00 177.57 177.93 2jkk h MET 612 N 1.15 0.97 -0.27 0.00 2.86 -0.65 -1.10 114.93 117.89 2jkk h MET 612 Ca 0.30 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2jkk h MET 612 Cb -0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2jkk h MET 612 CO -0.05 0.90 0.08 2.35 1.06 0.00 0.00 176.91 181.25 2jkk h TRP 613 N 0.88 0.14 -0.71 -0.22 7.01 -0.98 -1.18 115.95 120.89 2jkk h TRP 613 Ca 0.18 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.29 2jkk h TRP 613 Cb 0.38 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.35 2jkk h TRP 613 CO 0.03 0.06 0.36 0.93 -2.79 0.00 0.00 178.44 177.03 2jkk h GLU 614 N 0.19 0.60 0.29 2.65 5.08 -0.79 -0.70 114.58 121.90 2jkk h GLU 614 Ca 0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jkk h GLU 614 Cb 0.10 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2jkk h GLU 614 CO -0.14 0.40 -0.14 0.82 -1.00 0.00 0.00 179.01 178.95 2jkk h ILE 615 N 0.62 0.74 -0.01 3.13 2.04 -0.94 0.19 117.51 123.28 2jkk h ILE 615 Ca 0.35 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2jkk h ILE 615 Cb 0.36 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2jkk h ILE 615 CO -0.26 0.04 0.01 -0.07 0.00 0.00 0.00 178.15 177.86 2jkk h LEU 616 N -0.47 0.00 -1.37 1.44 3.38 -1.04 -0.76 115.31 116.49 2jkk h LEU 616 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jkk h LEU 616 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jkk h LEU 616 CO 0.06 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.82 2jkk n MET 617 N -4.42 1.95 -3.80 1.13 2.81 -0.29 -4.88 117.12 109.63 2jkk n MET 617 Ca -0.03 -1.13 -0.27 0.00 -1.81 0.00 0.00 57.70 54.46 2jkk n MET 617 Cb 0.10 -1.40 0.04 0.00 -0.71 0.00 0.00 33.22 31.25 2jkk n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2jkk n HIS 618 N 0.33 -2.42 -0.94 2.03 8.25 -0.29 -3.04 115.22 119.14 2jkk n HIS 618 Ca 0.10 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 2jkk n HIS 618 Cb 0.36 -4.33 0.00 0.00 1.12 0.00 0.00 29.99 27.15 2jkk n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jkk n GLY 619 N -1.75 0.56 3.75 -1.41 0.00 0.03 -3.58 105.19 102.78 2jkk n GLY 619 Ca -0.01 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 2jkk n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkk s VAL 620 N -2.00 3.80 0.43 1.61 1.01 -1.17 -4.98 120.40 119.10 2jkk s VAL 620 Ca 0.00 1.80 -0.22 0.00 0.00 0.00 0.00 61.98 63.57 2jkk s VAL 620 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2jkk s VAL 620 CO 0.00 0.43 0.99 -0.54 0.00 0.00 0.00 175.10 175.97 2jkk s LYS 621 N -1.27 4.13 0.42 2.72 1.02 -1.26 -4.58 119.74 120.92 2jkk s LYS 621 Ca 0.43 1.25 -0.24 0.00 0.02 0.00 0.00 55.97 57.43 2jkk s LYS 621 Cb -0.29 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 2jkk s LYS 621 CO 0.36 -0.13 1.14 -1.25 -0.92 0.00 0.00 175.35 174.56 2jkk s PRO 622 N -3.01 3.96 -1.45 -1.68 0.04 -1.26 -3.86 135.00 127.73 2jkk s PRO 622 Ca 0.62 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 2jkk s PRO 622 Cb -0.13 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 31.92 2jkk s PRO 622 CO 0.18 -0.37 0.95 1.19 0.04 0.00 0.00 177.00 178.98 2jkk n PHE 623 N -0.18 -2.30 -1.79 0.56 3.72 -1.26 -4.91 117.46 111.30 2jkk n PHE 623 Ca 0.06 0.91 -0.42 0.00 -0.05 0.00 0.00 57.45 57.95 2jkk n PHE 623 Cb 0.48 -4.25 -0.02 0.00 -0.94 0.00 0.00 39.48 34.75 2jkk n PHE 623 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2jkk s GLN 624 N -6.41 4.14 0.00 -1.08 0.74 -1.25 -2.14 119.66 113.65 2jkk s GLN 624 Ca 0.49 2.56 0.00 0.00 0.05 0.00 0.00 55.36 58.46 2jkk s GLN 624 Cb -0.24 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.81 2jkk s GLN 624 CO 0.81 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 2jkk n GLY 625 N 3.02 0.63 3.48 2.59 0.00 -1.26 -5.02 105.19 108.63 2jkk n GLY 625 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2jkk n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkk s VAL 626 N -2.44 3.27 0.34 1.61 1.01 -0.91 -5.11 120.40 118.17 2jkk s VAL 626 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 2jkk s VAL 626 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 2jkk s VAL 626 CO 0.00 0.57 0.96 -0.54 0.00 0.00 0.00 175.10 176.10 2jkk s LYS 627 N -0.46 4.49 0.18 2.72 1.02 -1.26 -4.98 119.74 121.46 2jkk s LYS 627 Ca 0.06 1.35 -0.15 0.00 0.02 0.00 0.00 55.97 57.25 2jkk s LYS 627 Cb -0.12 -2.71 0.16 0.00 -0.52 0.00 0.00 37.83 34.64 2jkk s LYS 627 CO 0.02 0.19 1.68 -0.91 -0.92 0.00 0.00 175.35 175.40 2jkk h ASN 628 N 2.97 -0.28 0.06 2.83 2.35 -1.99 -1.45 115.58 120.07 2jkk h ASN 628 Ca -0.47 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2jkk h ASN 628 Cb 1.19 0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.79 2jkk h ASN 628 CO 0.64 -0.10 -0.01 0.78 -1.65 0.00 0.00 177.43 177.09 2jkk h ASN 629 N 0.07 0.00 1.04 5.81 2.35 -2.02 -1.58 115.58 121.26 2jkk h ASN 629 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2jkk h ASN 629 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2jkk h ASN 629 CO -0.42 0.01 -0.31 0.47 -1.65 0.00 0.00 177.43 175.53 2jkk n ASP 630 N -3.56 0.61 -0.08 5.81 8.00 -0.55 -4.33 116.55 122.46 2jkk n ASP 630 Ca -0.03 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 2jkk n ASP 630 Cb 0.10 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2jkk n ASP 630 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jkk h VAL 631 N 0.00 1.21 -0.28 2.53 2.07 -1.17 -2.80 116.25 117.81 2jkk h VAL 631 Ca 0.00 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2jkk h VAL 631 Cb 0.68 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2jkk h VAL 631 CO 0.00 0.22 -0.10 -0.29 0.02 0.00 0.00 177.57 177.42 2jkk h ILE 632 N 0.22 1.22 -0.56 4.57 6.09 -1.75 -2.07 117.51 125.23 2jkk h ILE 632 Ca 0.08 -0.95 0.02 0.00 -1.37 0.00 0.00 64.86 62.64 2jkk h ILE 632 Cb 0.28 1.12 -0.03 0.00 0.47 0.00 0.00 36.82 38.65 2jkk h ILE 632 CO 0.00 0.31 0.35 1.23 -3.07 0.00 0.00 178.15 176.97 2jkk h GLY 633 N 0.89 0.79 0.91 8.18 0.00 -1.73 -0.07 103.07 112.03 2jkk h GLY 633 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2jkk h GLY 633 CO 0.02 0.23 0.06 3.21 0.00 0.00 0.00 176.54 180.07 2jkk h ARG 634 N 0.69 0.56 -0.63 4.80 3.08 -1.24 -1.43 114.38 120.21 2jkk h ARG 634 Ca 0.22 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2jkk h ARG 634 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2jkk h ARG 634 CO -0.08 0.64 0.12 0.82 -1.07 0.00 0.00 179.97 180.39 2jkk h ILE 635 N 0.40 1.25 0.00 2.04 2.04 -1.15 -0.12 117.51 121.97 2jkk h ILE 635 Ca 0.10 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 2jkk h ILE 635 Cb 0.35 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2jkk h ILE 635 CO 0.01 0.36 -0.39 -0.33 0.00 0.00 0.00 178.15 177.80 2jkk h GLU 636 N 0.96 0.00 0.00 2.37 5.08 -0.98 -2.54 114.58 119.47 2jkk h GLU 636 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jkk h GLU 636 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2jkk h GLU 636 CO 0.01 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 2jkk n ASN 637 N -3.40 0.00 0.00 1.42 3.02 -0.54 -4.90 115.26 110.85 2jkk n ASN 637 Ca 0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 2jkk n ASN 637 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 2jkk n ASN 637 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkk n GLY 638 N 0.71 0.66 3.77 7.41 0.00 -0.96 -5.05 105.19 111.72 2jkk n GLY 638 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2jkk n GLY 638 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jkk s GLU 639 N -0.28 4.53 0.08 1.61 2.12 -0.08 -4.99 118.70 121.69 2jkk s GLU 639 Ca 0.00 1.63 0.02 0.00 0.36 0.00 0.00 54.97 56.98 2jkk s GLU 639 Cb 0.00 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2jkk s GLU 639 CO 0.00 0.16 -0.07 1.03 -0.54 0.00 0.00 175.26 175.84 2jkk s ARG 640 N -1.76 0.76 0.26 4.30 1.81 -1.26 -4.31 118.95 118.75 2jkk s ARG 640 Ca 0.48 -1.20 -0.30 0.00 -1.72 0.00 0.00 55.73 52.99 2jkk s ARG 640 Cb -0.27 -0.22 -0.13 0.00 -0.45 0.00 0.00 34.95 33.88 2jkk s ARG 640 CO 0.34 -0.00 1.32 1.28 -0.68 0.00 0.00 175.30 177.56 2jkk n LEU 641 N 0.31 2.97 -4.80 2.53 4.77 -1.26 -4.94 117.00 116.59 2jkk n LEU 641 Ca -0.15 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.69 2jkk n LEU 641 Cb 0.59 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.36 2jkk n LEU 641 CO 0.28 -0.63 0.71 -2.16 -1.33 0.00 0.00 177.39 174.25 2jkk s PRO 642 N -0.87 2.21 0.01 3.23 0.04 -1.26 -4.95 135.00 133.41 2jkk s PRO 642 Ca 0.64 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 2jkk s PRO 642 Cb -0.65 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 2jkk s PRO 642 CO 0.54 -1.56 1.68 1.41 0.04 0.00 0.00 177.00 179.10 2jkk s MET 643 N -5.09 4.19 0.54 4.56 -2.45 -1.26 -4.97 119.30 114.82 2jkk s MET 643 Ca 0.60 2.29 -0.22 0.00 -1.25 0.00 0.00 55.69 57.11 2jkk s MET 643 Cb -0.15 -3.82 -0.05 0.00 1.25 0.00 0.00 34.83 32.05 2jkk s MET 643 CO 0.55 -0.80 1.28 -2.30 1.05 0.00 0.00 175.02 174.80 2jkk n PRO 644 N 6.45 1.56 -1.73 4.11 -0.02 -1.26 -4.95 135.00 139.16 2jkk n PRO 644 Ca 0.17 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2jkk n PRO 644 Cb 0.42 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 2jkk n PRO 644 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jkk n PRO 645 N -0.90 2.53 -1.16 0.52 -0.02 -1.26 -2.10 135.00 132.61 2jkk n PRO 645 Ca 0.11 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.43 2jkk n PRO 645 Cb 0.44 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 2jkk n PRO 645 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jkk n ASN 646 N 1.92 -5.77 -4.72 2.55 5.03 -1.26 -4.99 115.26 108.02 2jkk n ASN 646 Ca 0.08 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 2jkk n ASN 646 Cb 0.36 -3.76 -0.03 0.00 -1.02 0.00 0.00 39.78 35.33 2jkk n ASN 646 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jkk s PRO 648 N 0.53 4.23 0.40 0.00 0.02 -1.26 -4.86 135.00 134.04 2jkk s PRO 648 Ca 0.58 2.35 0.11 0.00 0.02 0.00 0.00 61.00 64.06 2jkk s PRO 648 Cb -0.33 -3.01 0.91 0.00 0.02 0.00 0.00 34.50 32.09 2jkk s PRO 648 CO 0.33 -0.35 1.95 -1.35 -0.33 0.00 0.00 177.00 177.25 2jkk h PRO 649 N 3.17 0.55 -0.04 5.54 0.11 -1.99 -0.41 132.00 138.94 2jkk h PRO 649 Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2jkk h PRO 649 Cb 1.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2jkk h PRO 649 CO 0.65 0.36 -0.20 0.00 -0.21 0.00 0.00 178.00 178.59 2jkk h THR 650 N 0.56 1.17 0.21 -1.15 1.03 -1.99 -0.39 112.91 112.35 2jkk h THR 650 Ca 0.32 -0.79 -0.31 0.00 -0.01 0.00 0.00 66.41 65.62 2jkk h THR 650 Cb 0.51 1.37 0.03 0.00 -1.07 0.00 0.00 68.15 68.99 2jkk h THR 650 CO -0.11 0.23 -1.43 0.25 -0.01 0.00 0.00 175.52 174.45 2jkk h LEU 651 N 0.06 0.71 -1.07 0.00 5.85 -1.47 -2.83 115.31 116.56 2jkk h LEU 651 Ca 0.01 -0.93 0.03 0.00 0.84 0.00 0.00 57.88 57.84 2jkk h LEU 651 Cb 0.40 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2jkk h LEU 651 CO 0.03 1.68 0.63 0.22 -0.34 0.00 0.00 178.44 180.65 2jkk h TYR 652 N 0.02 1.17 -0.96 1.25 3.20 -1.14 -1.66 116.97 118.85 2jkk h TYR 652 Ca -0.26 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.65 2jkk h TYR 652 Cb 2.04 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.88 2jkk h TYR 652 CO 0.13 0.68 0.64 1.03 -1.64 0.00 0.00 178.16 179.00 2jkk h SER 653 N 1.21 1.10 -0.59 -2.11 0.87 -1.11 -0.51 113.55 112.42 2jkk h SER 653 Ca 0.38 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2jkk h SER 653 Cb -0.00 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2jkk h SER 653 CO -0.11 0.80 0.11 0.25 -0.53 0.00 0.00 176.83 177.34 2jkk h LEU 654 N 1.30 0.93 -0.51 2.23 5.85 -1.20 -2.23 115.31 121.68 2jkk h LEU 654 Ca 0.35 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2jkk h LEU 654 Cb -0.15 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 2jkk h LEU 654 CO -0.08 0.95 0.33 0.24 -0.34 0.00 0.00 178.44 179.53 2jkk h MET 655 N 0.87 0.64 0.00 1.25 2.86 -0.76 -2.27 114.93 117.53 2jkk h MET 655 Ca 0.18 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2jkk h MET 655 Cb 0.41 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2jkk h MET 655 CO 0.01 0.42 -0.22 1.79 1.06 0.00 0.00 176.91 179.97 2jkk h THR 656 N 0.66 1.08 -0.47 2.22 1.35 -0.98 -2.13 112.91 114.64 2jkk h THR 656 Ca 0.19 -0.78 -0.12 0.00 -0.55 0.00 0.00 66.41 65.15 2jkk h THR 656 Cb -0.04 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2jkk h THR 656 CO -0.06 0.22 -0.19 0.11 -0.25 0.00 0.00 175.52 175.34 2jkk h LYS 657 N 0.00 0.94 -0.08 4.72 1.57 -0.99 -2.53 116.57 120.19 2jkk h LYS 657 Ca -0.00 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2jkk h LYS 657 Cb 0.41 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jkk h LYS 657 CO 0.03 1.04 0.08 0.00 -0.57 0.00 0.00 179.45 180.03 2jkk n TRP 659 N -4.04 2.38 -1.84 0.00 8.01 -0.96 -3.61 117.44 117.38 2jkk n TRP 659 Ca -0.01 -1.57 -0.42 0.00 -1.31 0.00 0.00 57.50 54.19 2jkk n TRP 659 Cb 0.18 -0.75 -0.03 0.00 -2.01 0.00 0.00 31.31 28.71 2jkk n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jkk s ALA 660 N -3.18 3.82 0.25 6.99 0.00 -1.12 -4.89 121.76 123.63 2jkk s ALA 660 Ca 0.53 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.94 2jkk s ALA 660 Cb 0.45 -3.65 0.40 0.00 0.00 0.00 0.00 23.12 20.31 2jkk s ALA 660 CO 0.09 -0.86 1.85 -0.92 0.00 0.00 0.00 175.76 175.92 2jkk h TYR 661 N 6.34 1.04 -3.34 0.00 3.20 -1.93 -3.39 116.97 118.90 2jkk h TYR 661 Ca -0.44 0.03 -0.59 0.00 3.14 0.00 0.00 58.73 60.87 2jkk h TYR 661 Cb 1.21 -0.33 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 2jkk h TYR 661 CO 0.63 0.49 0.60 0.34 -1.64 0.00 0.00 178.16 178.59 2jkk s ASP 662 N -5.76 6.82 0.41 -2.11 -1.08 -1.26 -4.85 116.67 108.84 2jkk s ASP 662 Ca -0.12 0.91 0.16 0.00 -0.52 0.00 0.00 52.55 52.97 2jkk s ASP 662 Cb 0.20 -2.47 1.04 0.00 -1.46 0.00 0.00 42.92 40.22 2jkk s ASP 662 CO 0.80 -0.70 1.87 -0.65 0.52 0.00 0.00 175.17 177.01 2jkk h PRO 663 N 7.99 0.43 0.00 4.34 0.11 -1.96 -1.05 132.00 141.87 2jkk h PRO 663 Ca -0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jkk h PRO 663 Cb 1.08 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jkk h PRO 663 CO 0.95 0.29 -0.01 0.77 -0.21 0.00 0.00 178.00 179.78 2jkk h SER 664 N 0.45 0.00 0.33 -2.05 0.02 -1.93 -2.79 113.55 107.57 2jkk h SER 664 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2jkk h SER 664 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2jkk h SER 664 CO -0.17 0.01 -0.77 0.54 -1.14 0.00 0.00 176.83 175.30 2jkk n ARG 665 N -3.16 0.07 -2.54 3.45 1.74 -0.40 -4.94 116.66 110.89 2jkk n ARG 665 Ca -0.02 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 2jkk n ARG 665 Cb 0.15 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 2jkk n ARG 665 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jkk s ARG 666 N -3.04 3.98 0.65 5.56 0.52 -1.06 -4.94 118.95 120.63 2jkk s ARG 666 Ca 0.08 1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 56.58 2jkk s ARG 666 Cb 0.16 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 2jkk s ARG 666 CO 0.78 -0.29 1.18 -2.14 0.02 0.00 0.00 175.30 174.84 2jkk s PRO 667 N -2.85 2.67 0.67 3.54 0.02 -1.26 -5.04 135.00 132.75 2jkk s PRO 667 Ca 0.62 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 63.21 2jkk s PRO 667 Cb -0.19 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2jkk s PRO 667 CO 0.24 -1.41 1.06 1.03 -0.33 0.00 0.00 177.00 177.60 2jkk s ARG 668 N -3.73 3.15 0.48 5.54 0.52 -1.26 -4.90 118.95 118.75 2jkk s ARG 668 Ca 0.73 0.65 0.17 0.00 -0.52 0.00 0.00 55.73 56.76 2jkk s ARG 668 Cb -0.27 -2.04 1.16 0.00 0.52 0.00 0.00 34.95 34.33 2jkk s ARG 668 CO 0.39 -0.87 2.05 0.74 0.02 0.00 0.00 175.30 177.63 2jkk h PHE 669 N -0.54 0.00 -0.51 -0.53 0.04 -1.92 -1.43 116.94 112.05 2jkk h PHE 669 Ca -0.45 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.34 2jkk h PHE 669 Cb 1.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.34 2jkk h PHE 669 CO 0.58 0.13 0.32 1.15 -0.60 0.00 0.00 178.31 179.89 2jkk h THR 670 N 0.00 1.07 -0.39 -1.55 2.02 -1.90 -1.02 112.91 111.14 2jkk h THR 670 Ca -0.00 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2jkk h THR 670 Cb 0.24 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2jkk h THR 670 CO 0.02 0.12 0.15 -0.33 0.37 0.00 0.00 175.52 175.84 2jkk h GLU 671 N 0.63 0.58 -0.23 6.66 5.08 -1.71 -3.04 114.58 122.56 2jkk h GLU 671 Ca 0.20 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2jkk h GLU 671 Cb -0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2jkk h GLU 671 CO -0.08 0.56 0.00 -0.07 -1.00 0.00 0.00 179.01 178.42 2jkk h LEU 672 N 0.48 -0.08 -0.70 1.33 3.38 -1.03 -1.68 115.31 117.02 2jkk h LEU 672 Ca 0.13 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2jkk h LEU 672 Cb 0.20 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2jkk h LEU 672 CO -0.01 -0.01 0.41 0.50 0.09 0.00 0.00 178.44 179.42 2jkk h LYS 673 N 0.08 0.75 -0.49 1.13 3.64 -1.22 0.18 116.57 120.63 2jkk h LYS 673 Ca 0.11 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2jkk h LYS 673 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2jkk h LYS 673 CO -0.18 0.49 0.11 0.00 -2.27 0.00 0.00 179.45 177.61 2jkk h ALA 674 N 1.34 0.64 -0.17 5.00 0.00 -1.37 -0.98 119.26 123.72 2jkk h ALA 674 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jkk h ALA 674 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jkk h ALA 674 CO -0.16 0.35 0.01 0.37 0.00 0.00 0.00 179.25 179.82 2jkk h GLN 675 N 0.67 0.29 -0.69 0.00 5.75 -0.99 -2.49 115.11 117.66 2jkk h GLN 675 Ca 0.15 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2jkk h GLN 675 Cb 0.35 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 2jkk h GLN 675 CO 0.00 0.50 0.38 -0.07 -2.65 0.00 0.00 178.83 176.99 2jkk h LEU 676 N 0.06 0.85 -0.36 -2.39 3.38 -0.60 -1.56 115.31 114.69 2jkk h LEU 676 Ca 0.05 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jkk h LEU 676 Cb 0.36 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2jkk h LEU 676 CO 0.01 0.68 0.14 -1.28 0.09 0.00 0.00 178.44 178.07 2jkk h SER 677 N 0.96 0.17 -0.36 -0.43 0.87 -1.03 -0.15 113.55 113.58 2jkk h SER 677 Ca 0.25 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2jkk h SER 677 Cb 0.02 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2jkk h SER 677 CO -0.04 0.13 0.17 0.74 -0.53 0.00 0.00 176.83 177.30 2jkk h THR 678 N 0.30 1.17 -0.81 2.23 2.02 -1.08 -2.26 112.91 114.47 2jkk h THR 678 Ca 0.16 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 2jkk h THR 678 Cb 0.12 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2jkk h THR 678 CO -0.15 0.18 0.34 0.40 0.37 0.00 0.00 175.52 176.66 2jkk h ILE 679 N 0.44 1.26 0.09 3.11 2.04 -1.11 -0.70 117.51 122.64 2jkk h ILE 679 Ca 0.12 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2jkk h ILE 679 Cb 0.13 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2jkk h ILE 679 CO -0.01 0.33 -0.04 0.25 0.00 0.00 0.00 178.15 178.68 2jkk h LEU 680 N 1.18 -0.10 -0.67 1.44 5.85 -1.00 -1.23 115.31 120.78 2jkk h LEU 680 Ca 0.27 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2jkk h LEU 680 Cb 0.19 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2jkk h LEU 680 CO -0.03 0.06 0.33 -0.33 -0.34 0.00 0.00 178.44 178.13 2jkk h GLU 681 N -0.25 0.56 -0.96 1.25 4.39 -1.27 -1.07 114.58 117.23 2jkk h GLU 681 Ca -0.01 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.72 2jkk h GLU 681 Cb 0.21 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 2jkk h GLU 681 CO 0.02 0.37 0.61 0.93 -1.16 0.00 0.00 179.01 179.78 2jkk h GLU 682 N 0.58 1.06 0.00 2.33 5.08 -0.97 -3.09 114.58 119.57 2jkk h GLU 682 Ca 0.32 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2jkk h GLU 682 Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jkk h GLU 682 CO -0.25 0.70 -0.40 1.49 -1.00 0.00 0.00 179.01 179.55 2jkk h GLU 683 N 1.09 0.00 0.00 2.33 4.57 -0.21 -3.51 114.58 118.85 2jkk h GLU 683 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 2jkk h GLU 683 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2jkk h GLU 683 CO -0.18 0.23 0.00 1.63 -1.18 0.00 0.00 179.01 179.51