#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfk n SER 420 N 0.00 0.00 -4.67 2.61 3.41 -1.26 -4.83 113.62 108.88 2jfk n SER 420 Ca 0.00 0.19 -0.47 0.00 -0.26 0.00 0.00 58.87 58.33 2jfk n SER 420 Cb 0.00 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 2jfk n SER 420 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2jfk n MET 421 N -1.18 2.12 -4.18 4.33 0.00 -1.26 -4.92 117.12 112.03 2jfk n MET 421 Ca 0.00 0.77 -0.12 0.00 -0.00 0.00 0.00 57.70 58.35 2jfk n MET 421 Cb 0.01 -2.55 -0.10 0.00 0.00 0.00 0.00 33.22 30.58 2jfk n MET 421 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jfk s ARG 422 N 1.67 0.86 -0.16 2.12 1.81 -0.90 -5.00 118.95 119.34 2jfk s ARG 422 Ca 0.82 -1.29 -0.14 0.00 -1.72 0.00 0.00 55.73 53.40 2jfk s ARG 422 Cb -0.69 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.42 2jfk s ARG 422 CO 0.42 0.02 0.30 -1.17 -0.68 0.00 0.00 175.30 174.18 2jfk s LEU 423 N -2.87 4.24 -0.18 2.53 2.96 -1.26 -0.45 118.68 123.63 2jfk s LEU 423 Ca 0.10 0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2jfk s LEU 423 Cb 0.02 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 2jfk s LEU 423 CO -0.03 0.09 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.78 2jfk s LEU 424 N 0.54 2.74 0.02 -0.68 2.96 -0.19 -4.87 118.68 119.19 2jfk s LEU 424 Ca 0.17 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2jfk s LEU 424 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2jfk s LEU 424 CO 0.04 0.05 -0.06 0.00 -1.32 0.00 0.00 176.35 175.06 2jfk s ARG 425 N 1.06 2.52 0.07 1.98 1.70 -1.26 -0.83 118.95 124.20 2jfk s ARG 425 Ca 0.00 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.53 2jfk s ARG 425 Cb -0.15 -2.49 -0.03 0.00 -0.57 0.00 0.00 34.95 31.71 2jfk s ARG 425 CO -0.02 0.59 -0.08 0.00 -1.08 0.00 0.00 175.30 174.72 2jfk s ALA 426 N -1.05 0.83 0.03 7.88 0.00 0.41 -4.55 121.76 125.31 2jfk s ALA 426 Ca 0.18 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2jfk s ALA 426 Cb -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2jfk s ALA 426 CO 0.09 -0.11 0.01 -1.12 0.00 0.00 0.00 175.76 174.63 2jfk s SER 427 N -2.32 0.29 0.00 0.00 0.01 -1.26 -1.07 113.70 109.35 2jfk s SER 427 Ca 0.02 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2jfk s SER 427 Cb -0.02 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2jfk s SER 427 CO -0.02 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.81 2jfk n GLY 428 N 0.98 0.17 0.14 3.44 0.00 0.14 -4.71 105.19 105.36 2jfk n GLY 428 Ca -0.20 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.09 2jfk n GLY 428 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jfk h ARG 429 N 0.00 0.00 -4.09 1.61 3.08 -1.86 0.25 114.38 113.37 2jfk h ARG 429 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2jfk h ARG 429 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 2jfk h ARG 429 CO 0.00 0.00 -0.60 0.95 -1.07 0.00 0.00 179.97 179.25 2jfk s THR 430 N -3.16 0.19 0.29 2.04 -4.23 -1.26 -4.67 115.64 104.83 2jfk s THR 430 Ca 0.08 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 2jfk s THR 430 Cb 0.10 -1.32 0.28 0.00 1.34 0.00 0.00 72.50 72.90 2jfk s THR 430 CO 0.65 -0.85 1.78 -0.65 -0.54 0.00 0.00 174.62 175.01 2jfk h PRO 431 N 3.25 0.72 -0.42 3.99 0.11 -1.94 -1.96 132.00 135.75 2jfk h PRO 431 Ca -0.34 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 2jfk h PRO 431 Cb 1.16 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jfk h PRO 431 CO 0.60 0.48 -0.20 0.93 -0.21 0.00 0.00 178.00 179.60 2jfk h GLU 432 N 0.74 0.87 -0.94 1.05 3.07 -1.99 -0.46 114.58 116.93 2jfk h GLU 432 Ca 0.54 -0.38 0.18 0.00 -0.50 0.00 0.00 59.36 59.21 2jfk h GLU 432 Cb 0.80 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.58 2jfk h GLU 432 CO -0.37 1.02 0.52 0.00 -1.40 0.00 0.00 179.01 178.78 2jfk h ALA 433 N 0.82 1.51 -0.02 3.43 0.00 -1.77 0.40 119.26 123.65 2jfk h ALA 433 Ca 0.09 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2jfk h ALA 433 Cb 0.76 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jfk h ALA 433 CO 0.06 -0.12 -0.47 0.28 0.00 0.00 0.00 179.25 179.00 2jfk h VAL 434 N 0.65 1.45 -0.24 0.00 2.07 -1.03 -3.07 116.25 116.09 2jfk h VAL 434 Ca 0.54 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2jfk h VAL 434 Cb 0.86 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 2jfk h VAL 434 CO -0.40 0.57 0.05 1.56 0.02 0.00 0.00 177.57 179.37 2jfk h GLN 435 N -0.20 0.14 -0.92 1.57 4.20 -0.51 -0.95 115.11 118.45 2jfk h GLN 435 Ca -0.05 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.84 2jfk h GLN 435 Cb 1.18 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 2jfk h GLN 435 CO 0.09 0.09 0.60 0.87 -0.67 0.00 0.00 178.83 179.82 2jfk h LYS 436 N 0.15 0.51 -0.07 1.46 6.56 -1.01 -0.83 116.57 123.34 2jfk h LYS 436 Ca 0.11 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 2jfk h LYS 436 Cb 0.10 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2jfk h LYS 436 CO -0.14 0.34 -0.19 -0.07 -2.06 0.00 0.00 179.45 177.33 2jfk h LEU 437 N 0.53 0.30 -1.12 2.94 3.38 -1.16 -2.09 115.31 118.08 2jfk h LEU 437 Ca 0.49 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2jfk h LEU 437 Cb 1.04 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 2jfk h LEU 437 CO -0.22 0.83 0.60 -0.07 0.09 0.00 0.00 178.44 179.67 2jfk h LEU 438 N -0.23 0.93 -0.43 1.67 3.38 -0.46 -2.05 115.31 118.13 2jfk h LEU 438 Ca -0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2jfk h LEU 438 Cb 0.80 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jfk h LEU 438 CO 0.04 0.58 -0.24 -0.33 0.09 0.00 0.00 178.44 178.59 2jfk h GLU 439 N 1.04 0.92 -0.96 1.13 5.08 -1.05 -1.37 114.58 119.37 2jfk h GLU 439 Ca 0.41 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jfk h GLU 439 Cb 0.23 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2jfk h GLU 439 CO -0.16 1.07 0.58 1.96 -1.00 0.00 0.00 179.01 181.46 2jfk h GLN 440 N 0.75 1.30 -0.51 2.33 1.08 -0.90 -1.19 115.11 117.97 2jfk h GLN 440 Ca 0.09 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 2jfk h GLN 440 Cb 0.81 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2jfk h GLN 440 CO 0.07 0.90 -0.06 0.78 -0.95 0.00 0.00 178.83 179.57 2jfk h GLY 441 N 1.32 1.03 0.80 3.46 0.00 -1.29 -2.39 103.07 106.00 2jfk h GLY 441 Ca 0.34 -0.81 0.04 0.00 0.00 0.00 0.00 47.33 46.91 2jfk h GLY 441 CO -0.07 0.74 0.44 -2.00 0.00 0.00 0.00 176.54 175.65 2jfk h LEU 442 N 0.81 0.70 0.00 3.11 5.85 -0.90 -0.11 115.31 124.78 2jfk h LEU 442 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jfk h LEU 442 Cb 0.61 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2jfk h LEU 442 CO 0.04 0.47 0.00 0.54 -0.34 0.00 0.00 178.44 179.15 2jfk n ARG 443 N -4.69 0.21 -1.44 1.25 1.74 -0.48 -2.45 116.66 110.81 2jfk n ARG 443 Ca 0.09 0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 57.24 2jfk n ARG 443 Cb 0.12 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.16 2jfk n ARG 443 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2jfk n HIS 444 N -1.36 0.70 -0.36 -1.55 8.25 -0.73 -4.91 115.22 115.26 2jfk n HIS 444 Ca 0.09 -1.44 0.29 0.00 -0.26 0.00 0.00 57.72 56.40 2jfk n HIS 444 Cb 0.21 -0.24 0.60 0.00 1.12 0.00 0.00 29.99 31.68 2jfk n HIS 444 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jfk h SER 445 N 1.45 0.30 0.05 0.41 0.02 -0.71 -0.22 113.55 114.84 2jfk h SER 445 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jfk h SER 445 Cb 1.39 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2jfk h SER 445 CO 0.20 0.01 -0.10 0.00 -1.14 0.00 0.00 176.83 175.79 2jfk n GLN 446 N -4.54 1.52 -3.10 3.45 3.00 -1.26 -4.67 117.38 111.77 2jfk n GLN 446 Ca 0.28 -1.00 -0.45 0.00 -0.01 0.00 0.00 57.00 55.83 2jfk n GLN 446 Cb 1.10 -1.48 -0.04 0.00 0.00 0.00 0.00 30.24 29.83 2jfk n GLN 446 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jfk s ASP 447 N -2.17 6.39 0.10 1.08 -1.08 -0.10 -4.91 116.67 115.99 2jfk s ASP 447 Ca 0.31 -1.80 -0.14 0.00 -0.52 0.00 0.00 52.55 50.41 2jfk s ASP 447 Cb 0.20 -2.31 -0.10 0.00 -1.46 0.00 0.00 42.92 39.26 2jfk s ASP 447 CO 0.40 -1.01 1.40 -0.07 0.52 0.00 0.00 175.17 176.40 2jfk h LEU 448 N 9.70 0.82 -1.20 -1.34 3.38 -1.84 -1.42 115.31 123.41 2jfk h LEU 448 Ca -0.12 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.40 2jfk h LEU 448 Cb 1.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2jfk h LEU 448 CO 1.04 1.17 0.56 0.00 0.09 0.00 0.00 178.44 181.29 2jfk h ALA 449 N 0.67 1.54 0.16 1.53 0.00 -1.93 0.25 119.26 121.47 2jfk h ALA 449 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jfk h ALA 449 Cb 0.99 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jfk h ALA 449 CO 0.09 0.35 -0.07 0.35 0.00 0.00 0.00 179.25 179.97 2jfk h PHE 450 N 0.99 -0.19 -0.30 0.00 3.57 -1.87 -2.39 116.94 116.74 2jfk h PHE 450 Ca 0.36 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 2jfk h PHE 450 Cb 0.15 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2jfk h PHE 450 CO -0.00 0.10 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.97 2jfk h LEU 451 N -0.49 0.50 -0.76 0.59 3.38 -0.83 -1.03 115.31 116.68 2jfk h LEU 451 Ca -0.02 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2jfk h LEU 451 Cb 0.38 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2jfk h LEU 451 CO 0.04 0.67 0.48 -1.28 0.09 0.00 0.00 178.44 178.43 2jfk h SER 452 N 0.48 0.78 -0.23 -0.43 0.87 -0.50 -1.27 113.55 113.25 2jfk h SER 452 Ca 0.09 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2jfk h SER 452 Cb 0.51 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jfk h SER 452 CO 0.03 0.54 -0.10 -0.03 -0.53 0.00 0.00 176.83 176.74 2jfk h MET 453 N 0.93 0.46 -0.19 2.24 1.85 -0.86 -2.04 114.93 117.31 2jfk h MET 453 Ca 0.31 -0.20 0.02 0.00 -0.61 0.00 0.00 59.70 59.22 2jfk h MET 453 Cb 0.03 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 2jfk h MET 453 CO -0.12 0.73 0.13 -0.07 -0.40 0.00 0.00 176.91 177.18 2jfk h LEU 454 N 0.18 0.15 -0.07 3.39 3.38 -0.97 -2.31 115.31 119.07 2jfk h LEU 454 Ca 0.05 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2jfk h LEU 454 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jfk h LEU 454 CO 0.03 0.11 -0.35 0.78 0.09 0.00 0.00 178.44 179.10 2jfk h ASN 455 N 0.18 0.42 -0.90 -0.43 2.35 -0.97 -3.04 115.58 113.19 2jfk h ASN 455 Ca 0.08 -0.66 0.16 0.00 -0.55 0.00 0.00 56.30 55.34 2jfk h ASN 455 Cb 0.09 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 2jfk h ASN 455 CO -0.01 1.01 0.58 0.44 -1.65 0.00 0.00 177.43 177.80 2jfk h ASP 456 N -0.14 0.59 -0.67 5.81 3.45 -1.11 -2.33 116.42 122.02 2jfk h ASP 456 Ca -0.02 0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 2jfk h ASP 456 Cb 1.01 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.68 2jfk h ASP 456 CO 0.07 0.27 0.16 0.40 -1.57 0.00 0.00 179.24 178.58 2jfk h ILE 457 N 0.61 1.26 0.00 0.35 2.04 -1.39 -3.27 117.51 117.10 2jfk h ILE 457 Ca 0.46 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2jfk h ILE 457 Cb 0.87 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2jfk h ILE 457 CO -0.21 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.30 2jfk h ALA 458 N 1.07 1.00 -0.43 1.87 0.00 -1.30 -3.35 119.26 118.12 2jfk h ALA 458 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.69 2jfk h ALA 458 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2jfk h ALA 458 CO 0.00 0.00 1.44 0.00 0.00 0.00 0.00 179.25 180.69 2jfk n ALA 459 N -1.94 2.32 -3.75 0.00 0.00 -1.24 -4.65 120.51 111.25 2jfk n ALA 459 Ca -0.02 -3.18 -0.22 0.00 0.00 0.00 0.00 53.44 50.01 2jfk n ALA 459 Cb 0.07 -3.52 -0.18 0.00 0.00 0.00 0.00 19.45 15.83 2jfk n ALA 459 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jfk s VAL 460 N 9.16 0.29 0.40 0.00 1.01 -1.26 -5.14 120.40 124.86 2jfk s VAL 460 Ca 0.65 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 2jfk s VAL 460 Cb 0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 36.38 35.82 2jfk s VAL 460 CO 0.12 0.25 0.88 -2.65 0.00 0.00 0.00 175.10 173.70 2jfk n PRO 461 N 5.17 1.10 -0.33 2.72 -0.02 -1.26 -4.59 135.00 137.80 2jfk n PRO 461 Ca -0.06 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2jfk n PRO 461 Cb 0.50 -1.85 0.33 0.00 -0.02 0.00 0.00 33.50 32.46 2jfk n PRO 461 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jfk h ALA 462 N 1.39 1.72 -0.80 3.55 0.00 -1.93 0.13 119.26 123.32 2jfk h ALA 462 Ca -0.42 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jfk h ALA 462 Cb 1.36 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 2jfk h ALA 462 CO 0.56 -0.02 -0.41 2.41 0.00 0.00 0.00 179.25 181.79 2jfk n THR 463 N -4.65 -0.49 -0.00 0.00 -1.04 -1.26 -1.65 114.28 105.18 2jfk n THR 463 Ca 0.20 1.91 -0.18 0.00 -2.04 0.00 0.00 64.05 63.94 2jfk n THR 463 Cb 0.50 -2.42 -0.14 0.00 -1.82 0.00 0.00 70.33 66.45 2jfk n THR 463 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jfk h ALA 464 N 0.68 -0.02 -3.07 2.41 0.00 -1.17 -3.42 119.26 114.66 2jfk h ALA 464 Ca 0.19 -0.68 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 2jfk h ALA 464 Cb 0.39 0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 2jfk h ALA 464 CO -0.77 0.29 -0.73 -1.64 0.00 0.00 0.00 179.25 176.41 2jfk s MET 465 N -2.35 1.31 0.00 0.00 -1.94 -0.04 -4.78 119.30 111.50 2jfk s MET 465 Ca -0.17 -1.98 0.19 0.00 -1.71 0.00 0.00 55.69 52.03 2jfk s MET 465 Cb -0.00 -2.44 1.08 0.00 2.01 0.00 0.00 34.83 35.48 2jfk s MET 465 CO 0.77 -1.13 1.57 -0.35 -0.01 0.00 0.00 175.02 175.87 2jfk n PRO 466 N 3.65 0.46 -5.09 2.03 -0.04 -0.66 -4.13 135.00 131.22 2jfk n PRO 466 Ca 0.07 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 2jfk n PRO 466 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 2jfk n PRO 466 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jfk s PHE 467 N -2.26 2.57 0.08 0.54 0.08 0.87 -0.12 117.98 119.74 2jfk s PHE 467 Ca 0.24 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.79 2jfk s PHE 467 Cb 0.13 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 2jfk s PHE 467 CO 0.25 -0.10 -0.11 1.03 -0.10 0.00 0.00 175.22 176.20 2jfk s ARG 468 N -0.25 0.80 0.23 0.44 0.52 -0.59 0.25 118.95 120.34 2jfk s ARG 468 Ca -0.00 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.04 2jfk s ARG 468 Cb -0.13 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.77 2jfk s ARG 468 CO 0.03 0.10 0.43 0.20 0.02 0.00 0.00 175.30 176.08 2jfk s GLY 469 N -2.16 0.54 0.07 -3.53 0.00 -0.23 -0.76 107.32 101.26 2jfk s GLY 469 Ca 0.01 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 2jfk s GLY 469 CO 0.01 -0.68 0.28 -2.52 0.00 0.00 0.00 173.10 170.18 2jfk s TYR 470 N -4.01 -0.03 -0.09 1.90 1.13 -0.19 -0.45 117.35 115.62 2jfk s TYR 470 Ca 0.22 -0.24 -0.07 0.00 -1.41 0.00 0.00 57.07 55.56 2jfk s TYR 470 Cb 0.01 0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 2jfk s TYR 470 CO 0.07 -0.55 0.23 0.00 -2.51 0.00 0.00 175.55 172.79 2jfk s ALA 471 N -3.24 -0.57 -0.53 9.51 0.00 -0.01 -1.59 121.76 125.34 2jfk s ALA 471 Ca -0.00 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 2jfk s ALA 471 Cb 0.02 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.76 2jfk s ALA 471 CO -0.08 -0.13 0.69 0.08 0.00 0.00 0.00 175.76 176.33 2jfk s VAL 472 N 0.37 4.77 0.12 0.00 1.01 -1.26 -1.03 120.40 124.39 2jfk s VAL 472 Ca -0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2jfk s VAL 472 Cb -0.03 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 2jfk s VAL 472 CO -0.02 -0.90 0.94 -0.76 0.00 0.00 0.00 175.10 174.37 2jfk s LEU 473 N 2.89 4.52 0.00 3.92 1.43 0.40 -4.50 118.68 127.33 2jfk s LEU 473 Ca 0.17 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2jfk s LEU 473 Cb -0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2jfk s LEU 473 CO 0.12 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2jfk n GLY 474 N 2.15 -1.02 0.28 -3.19 0.00 -1.26 -2.12 105.19 100.02 2jfk n GLY 474 Ca 0.01 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.49 2jfk n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfk n GLY 475 N -0.62 -2.74 0.00 -0.02 0.00 -1.26 -4.58 105.19 95.97 2jfk n GLY 475 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2jfk n GLY 475 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jfk n GLU 476 N -2.47 0.00 -0.17 1.61 0.00 -1.26 -3.17 120.64 115.18 2jfk n GLU 476 Ca -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 57.16 57.34 2jfk n GLU 476 Cb 0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 31.44 30.54 2jfk n GLU 476 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2jfk n ARG 477 N -1.12 0.34 -2.85 3.44 -4.01 -1.26 -4.72 116.66 106.48 2jfk n ARG 477 Ca 0.00 -0.08 -0.42 0.00 -1.04 0.00 0.00 57.85 56.31 2jfk n ARG 477 Cb 0.00 -1.46 -0.04 0.00 -3.04 0.00 0.00 32.46 27.93 2jfk n ARG 477 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2jfk s GLY 478 N 2.25 2.08 -0.25 2.89 0.00 -1.19 -4.87 107.32 108.22 2jfk s GLY 478 Ca 0.06 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 2jfk s GLY 478 CO 0.00 1.74 1.24 -0.32 0.00 0.00 0.00 173.10 175.76 2jfk s GLY 479 N 1.17 -0.01 0.28 0.20 0.00 -1.26 -5.02 107.32 102.67 2jfk s GLY 479 Ca 0.39 2.64 -0.24 0.00 0.00 0.00 0.00 44.72 47.51 2jfk s GLY 479 CO 0.12 1.18 0.85 2.56 0.00 0.00 0.00 173.10 177.82 2jfk s PRO 480 N -0.91 4.47 -0.13 2.90 0.04 -1.26 -4.64 135.00 135.46 2jfk s PRO 480 Ca 0.05 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2jfk s PRO 480 Cb -0.01 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 2jfk s PRO 480 CO -0.05 0.34 -0.14 -1.21 0.04 0.00 0.00 177.00 175.98 2jfk s GLU 481 N -1.96 3.35 0.07 4.56 2.02 -0.62 -4.99 118.70 121.14 2jfk s GLU 481 Ca 0.47 -0.70 0.08 0.00 0.02 0.00 0.00 54.97 54.84 2jfk s GLU 481 Cb -0.18 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 2jfk s GLU 481 CO 0.23 0.19 -0.22 0.08 0.02 0.00 0.00 175.26 175.56 2jfk s VAL 482 N 0.41 1.78 -0.29 2.63 1.01 -1.26 -1.02 120.40 123.67 2jfk s VAL 482 Ca -0.11 -1.40 -0.24 0.00 0.00 0.00 0.00 61.98 60.23 2jfk s VAL 482 Cb -0.16 -1.57 0.14 0.00 0.00 0.00 0.00 36.38 34.79 2jfk s VAL 482 CO 0.05 0.11 1.14 -1.58 0.00 0.00 0.00 175.10 174.82 2jfk s GLN 483 N -1.55 0.37 0.14 2.72 0.74 0.06 -4.99 119.66 117.17 2jfk s GLN 483 Ca 0.08 0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.63 2jfk s GLN 483 Cb -0.09 0.18 -0.08 0.00 1.10 0.00 0.00 33.01 34.11 2jfk s GLN 483 CO 0.03 -0.05 1.41 -1.14 -0.55 0.00 0.00 175.29 174.99 2jfk s GLN 484 N 0.23 4.31 -0.15 1.67 2.00 -1.26 -1.55 119.66 124.92 2jfk s GLN 484 Ca 0.04 2.13 -0.12 0.00 -2.00 0.00 0.00 55.36 55.41 2jfk s GLN 484 Cb -0.05 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 2jfk s GLN 484 CO -0.09 -0.43 0.23 0.08 -0.50 0.00 0.00 175.29 174.58 2jfk s VAL 485 N 0.88 5.34 0.50 1.34 1.01 0.84 -4.93 120.40 125.38 2jfk s VAL 485 Ca 0.64 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 2jfk s VAL 485 Cb -0.38 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 2jfk s VAL 485 CO 0.32 0.46 1.10 -2.16 0.00 0.00 0.00 175.10 174.82 2jfk s PRO 486 N 0.03 3.64 1.04 2.72 0.04 -1.26 -4.87 135.00 136.34 2jfk s PRO 486 Ca 0.15 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2jfk s PRO 486 Cb -0.13 -2.15 0.21 0.00 0.04 0.00 0.00 34.50 32.47 2jfk s PRO 486 CO 0.03 -0.60 1.11 0.00 0.04 0.00 0.00 177.00 177.58 2jfk s ALA 487 N -1.79 0.96 0.00 8.56 0.00 -1.26 -4.93 121.76 123.31 2jfk s ALA 487 Ca 0.68 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2jfk s ALA 487 Cb -0.22 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2jfk s ALA 487 CO 0.26 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.47 2jfk n GLY 488 N -1.25 0.98 3.82 0.00 0.00 -1.26 -4.99 105.19 102.49 2jfk n GLY 488 Ca 0.07 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2jfk n GLY 488 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jfk s GLU 489 N -3.55 3.91 -0.17 1.61 4.04 -1.26 -5.08 118.70 118.19 2jfk s GLU 489 Ca 0.00 0.28 -0.00 0.00 0.04 0.00 0.00 54.97 55.29 2jfk s GLU 489 Cb 0.00 -3.25 0.01 0.00 0.02 0.00 0.00 34.13 30.90 2jfk s GLU 489 CO 0.00 0.62 -0.16 1.03 -1.84 0.00 0.00 175.26 174.91 2jfk s ARG 490 N -0.77 3.15 0.33 -4.83 0.52 -1.26 -4.99 118.95 111.10 2jfk s ARG 490 Ca 0.21 -0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 54.39 2jfk s ARG 490 Cb -0.15 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 2jfk s ARG 490 CO 0.10 -0.10 1.02 -1.25 0.02 0.00 0.00 175.30 175.09 2jfk s PRO 491 N 1.09 4.48 -0.23 3.54 0.04 -1.26 -4.79 135.00 137.88 2jfk s PRO 491 Ca -0.00 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 2jfk s PRO 491 Cb -0.14 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2jfk s PRO 491 CO -0.05 0.14 0.12 -1.17 0.04 0.00 0.00 177.00 176.08 2jfk s LEU 492 N -2.01 3.90 -0.03 -3.56 2.96 -1.26 -0.26 118.68 118.42 2jfk s LEU 492 Ca 0.50 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2jfk s LEU 492 Cb -0.24 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2jfk s LEU 492 CO 0.30 0.07 -0.25 0.26 -1.32 0.00 0.00 176.35 175.41 2jfk s TRP 493 N 1.01 2.30 -0.20 5.38 0.52 0.19 0.07 118.94 128.21 2jfk s TRP 493 Ca 0.06 -0.47 -0.07 0.00 0.02 0.00 0.00 56.10 55.64 2jfk s TRP 493 Cb -0.14 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2jfk s TRP 493 CO 0.04 -0.07 0.06 -0.06 0.02 0.00 0.00 176.95 176.94 2jfk s PHE 494 N -0.53 3.16 -0.24 -1.98 2.99 -0.41 -1.04 117.98 119.93 2jfk s PHE 494 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 56.93 56.84 2jfk s PHE 494 Cb -0.10 -2.12 -0.00 0.00 0.00 0.00 0.00 43.02 40.79 2jfk s PHE 494 CO -0.00 -0.04 -0.01 0.42 -0.00 0.00 0.00 175.22 175.59 2jfk s ILE 495 N 0.80 3.53 -0.31 0.64 -1.09 -0.31 -1.06 121.20 123.40 2jfk s ILE 495 Ca 0.03 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 57.77 2jfk s ILE 495 Cb -0.14 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2jfk s ILE 495 CO 0.02 0.32 0.25 0.00 -1.23 0.00 0.00 174.94 174.31 2jfk s SER 497 N 1.73 4.92 0.00 0.00 0.01 -0.85 -1.26 113.70 118.25 2jfk s SER 497 Ca 0.08 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2jfk s SER 497 Cb -0.17 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2jfk s SER 497 CO 0.11 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 172.71 2jfk n GLY 498 N -3.08 2.10 3.87 3.44 0.00 -1.11 -3.07 105.19 107.34 2jfk n GLY 498 Ca 0.07 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2jfk n GLY 498 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jfk s MET 499 N 4.72 3.61 0.00 1.61 -1.94 -1.26 -4.14 119.30 121.90 2jfk s MET 499 Ca 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 2jfk s MET 499 Cb 0.00 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.76 2jfk s MET 499 CO 0.00 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.86 2jfk n GLY 500 N -2.72 0.48 0.54 -0.03 0.00 -1.26 -4.93 105.19 97.26 2jfk n GLY 500 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2jfk n GLY 500 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jfk n THR 501 N -2.00 0.06 -2.62 2.61 -2.24 -1.26 -4.92 114.28 103.91 2jfk n THR 501 Ca 0.00 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 2jfk n THR 501 Cb 0.00 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2jfk n THR 501 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfk s GLN 502 N -1.94 3.91 -0.01 -0.78 0.00 -1.26 -3.71 119.66 115.87 2jfk s GLN 502 Ca 0.36 1.30 -0.29 0.00 -0.00 0.00 0.00 55.36 56.73 2jfk s GLN 502 Cb 0.20 -2.12 0.08 0.00 0.00 0.00 0.00 33.01 31.18 2jfk s GLN 502 CO 0.32 -0.33 0.74 1.67 0.00 0.00 0.00 175.29 177.69 2jfk s TRP 503 N -2.03 -0.54 -0.10 9.60 1.48 -1.26 -5.06 118.94 121.03 2jfk s TRP 503 Ca 0.66 0.72 -0.30 0.00 -1.06 0.00 0.00 56.10 56.12 2jfk s TRP 503 Cb -0.14 0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 32.60 2jfk s TRP 503 CO 0.18 -0.61 1.47 0.50 -4.06 0.00 0.00 176.95 174.43 2jfk s ARG 504 N -2.07 4.21 0.00 3.25 3.52 -1.26 -2.03 118.95 124.57 2jfk s ARG 504 Ca -0.04 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.51 2jfk s ARG 504 Cb -0.00 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2jfk s ARG 504 CO 0.00 -0.76 0.00 0.41 -0.81 0.00 0.00 175.30 174.14 2jfk n GLY 505 N 3.87 0.57 2.33 8.12 0.00 -1.25 -4.91 105.19 113.92 2jfk n GLY 505 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2jfk n GLY 505 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jfk n MET 506 N -1.98 0.00 -0.87 1.61 2.81 -0.86 -2.33 117.12 115.50 2jfk n MET 506 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jfk n MET 506 Cb 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2jfk n MET 506 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfk n GLY 507 N 2.07 0.55 0.21 3.03 0.00 -1.26 -4.82 105.19 104.97 2jfk n GLY 507 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2jfk n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfk h LEU 508 N 0.00 0.36 -0.21 0.99 3.38 -1.82 -2.14 115.31 115.87 2jfk h LEU 508 Ca 0.00 -0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 2jfk h LEU 508 Cb 0.10 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jfk h LEU 508 CO 0.00 0.73 -0.78 -1.28 0.09 0.00 0.00 178.44 177.21 2jfk h SER 509 N 0.29 0.84 0.73 -0.43 0.87 -1.89 -2.97 113.55 110.98 2jfk h SER 509 Ca 0.03 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2jfk h SER 509 Cb 0.84 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2jfk h SER 509 CO 0.07 1.34 0.00 0.18 -0.53 0.00 0.00 176.83 177.89 2jfk n LEU 510 N -3.91 0.55 0.32 2.23 4.77 -1.15 -2.86 117.00 116.95 2jfk n LEU 510 Ca -0.07 0.63 0.20 0.00 -0.03 0.00 0.00 56.01 56.75 2jfk n LEU 510 Cb 0.74 -0.55 1.03 0.00 -2.33 0.00 0.00 43.42 42.32 2jfk n LEU 510 CO 0.52 -0.48 1.12 -0.03 -1.33 0.00 0.00 177.39 177.19 2jfk h MET 511 N 0.00 0.00 0.00 3.23 4.05 -1.21 -1.46 114.93 119.53 2jfk h MET 511 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2jfk h MET 511 Cb 0.36 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2jfk h MET 511 CO 0.00 0.01 -0.08 0.00 0.23 0.00 0.00 176.91 177.07 2jfk h ARG 512 N 0.00 0.00 -6.10 0.39 3.08 -1.70 -3.39 114.38 106.65 2jfk h ARG 512 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2jfk h ARG 512 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2jfk h ARG 512 CO 0.00 0.08 0.31 -0.51 -1.07 0.00 0.00 179.97 178.78 2jfk s LEU 513 N -7.72 4.27 0.22 3.04 1.43 -0.55 -4.96 118.68 114.41 2jfk s LEU 513 Ca -0.04 1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 2jfk s LEU 513 Cb 0.14 -3.29 0.18 0.00 0.03 0.00 0.00 46.19 43.25 2jfk s LEU 513 CO 0.59 -0.29 1.82 0.44 0.23 0.00 0.00 176.35 179.14 2jfk h ASP 514 N 7.02 1.12 0.03 2.29 3.32 -1.79 -1.72 116.42 126.69 2jfk h ASP 514 Ca -0.36 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2jfk h ASP 514 Cb 1.17 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2jfk h ASP 514 CO 0.79 0.94 -0.12 -0.09 -1.72 0.00 0.00 179.24 179.05 2jfk h ARG 515 N 1.22 0.21 0.33 3.56 9.65 -1.93 0.32 114.38 127.74 2jfk h ARG 515 Ca 0.29 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 2jfk h ARG 515 Cb 0.12 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2jfk h ARG 515 CO -0.04 0.34 -0.16 0.35 2.80 0.00 0.00 179.97 183.27 2jfk h PHE 516 N 0.20 -0.41 -0.17 2.20 3.04 -1.64 -1.80 116.94 118.37 2jfk h PHE 516 Ca 0.04 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2jfk h PHE 516 Cb 0.34 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 2jfk h PHE 516 CO 0.00 -0.08 -0.21 0.07 -2.02 0.00 0.00 178.31 176.07 2jfk h ARG 517 N -0.96 0.30 -0.31 1.11 -0.00 -1.12 0.22 114.38 113.62 2jfk h ARG 517 Ca -0.05 -0.09 0.03 0.00 -0.00 0.00 0.00 59.98 59.88 2jfk h ARG 517 Cb 0.51 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 30.42 2jfk h ARG 517 CO 0.07 0.50 0.11 -0.44 -0.00 0.00 0.00 179.97 180.21 2jfk h ASP 518 N 0.27 0.12 -0.72 0.08 3.45 -0.44 -0.35 116.42 118.84 2jfk h ASP 518 Ca 0.05 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 2jfk h ASP 518 Cb 0.53 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.29 2jfk h ASP 518 CO 0.04 0.10 0.34 -1.28 -1.57 0.00 0.00 179.24 176.87 2jfk h SER 519 N 0.24 0.96 -0.41 6.45 0.87 -0.13 -0.63 113.55 120.91 2jfk h SER 519 Ca 0.14 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 2jfk h SER 519 Cb 0.10 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2jfk h SER 519 CO -0.14 0.82 -0.33 0.40 -0.53 0.00 0.00 176.83 177.06 2jfk h ILE 520 N 1.05 1.27 -0.65 2.23 2.04 -0.81 -1.63 117.51 121.00 2jfk h ILE 520 Ca 0.25 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 2jfk h ILE 520 Cb 0.12 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2jfk h ILE 520 CO -0.03 0.51 0.20 -0.07 0.00 0.00 0.00 178.15 178.76 2jfk h LEU 521 N 0.79 0.96 -1.20 1.44 3.38 -0.84 0.20 115.31 120.03 2jfk h LEU 521 Ca 0.08 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2jfk h LEU 521 Cb 0.92 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2jfk h LEU 521 CO 0.09 0.91 0.54 -0.09 0.09 0.00 0.00 178.44 179.98 2jfk h ARG 522 N 0.95 1.06 -0.31 1.13 9.65 -1.02 -2.09 114.38 123.74 2jfk h ARG 522 Ca 0.21 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.94 2jfk h ARG 522 Cb 0.30 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2jfk h ARG 522 CO -0.01 0.70 -0.14 0.77 2.80 0.00 0.00 179.97 184.10 2jfk h SER 523 N 1.09 0.66 -0.96 -3.80 0.02 -0.77 -2.69 113.55 107.10 2jfk h SER 523 Ca 0.31 -0.40 0.26 0.00 -0.84 0.00 0.00 61.79 61.12 2jfk h SER 523 Cb -0.10 -0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.13 2jfk h SER 523 CO -0.07 0.92 0.49 0.44 -1.14 0.00 0.00 176.83 177.47 2jfk h ASP 524 N 0.41 0.46 -0.66 3.07 3.32 -0.45 -0.67 116.42 121.89 2jfk h ASP 524 Ca 0.07 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2jfk h ASP 524 Cb 0.66 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2jfk h ASP 524 CO 0.04 -0.03 0.15 -0.33 -1.72 0.00 0.00 179.24 177.36 2jfk h GLU 525 N 0.41 1.08 -0.14 3.56 4.39 -1.06 0.28 114.58 123.10 2jfk h GLU 525 Ca 0.64 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 60.12 2jfk h GLU 525 Cb 1.31 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2jfk h GLU 525 CO -0.55 0.96 0.11 0.00 -1.16 0.00 0.00 179.01 178.37 2jfk h ALA 526 N 1.13 2.08 -0.24 3.43 0.00 -0.98 -2.91 119.26 121.76 2jfk h ALA 526 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jfk h ALA 526 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jfk h ALA 526 CO 0.00 -0.18 0.00 0.28 0.00 0.00 0.00 179.25 179.35 2jfk n VAL 527 N -4.40 1.33 -0.08 0.00 0.31 -0.48 -4.59 118.33 110.42 2jfk n VAL 527 Ca 0.00 -1.27 -0.06 0.00 -0.01 0.00 0.00 64.34 63.00 2jfk n VAL 527 Cb 0.23 0.29 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2jfk n VAL 527 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2jfk h LYS 528 N 1.48 -0.03 -7.37 5.55 1.57 -0.29 -2.01 116.57 115.46 2jfk h LYS 528 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.29 2jfk h LYS 528 Cb 0.86 0.01 0.11 0.00 0.08 0.00 0.00 32.23 33.29 2jfk h LYS 528 CO 0.05 -0.02 0.33 -1.25 -0.57 0.00 0.00 179.45 177.99 2jfk s PRO 529 N -6.20 2.22 0.00 3.15 0.04 -1.26 -2.04 135.00 130.90 2jfk s PRO 529 Ca -0.14 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2jfk s PRO 529 Cb 0.13 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2jfk s PRO 529 CO 0.70 -1.57 0.00 1.19 0.04 0.00 0.00 177.00 177.36 2jfk n PHE 530 N -3.43 0.00 -3.05 0.56 3.01 -1.26 -4.33 117.46 108.97 2jfk n PHE 530 Ca 0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.41 2jfk n PHE 530 Cb 0.55 -0.17 0.05 0.00 -0.01 0.00 0.00 39.48 39.90 2jfk n PHE 530 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jfk n GLY 531 N -1.91 0.01 3.18 1.37 0.00 -0.87 -5.04 105.19 101.93 2jfk n GLY 531 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2jfk n GLY 531 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 532 N -4.76 2.13 -0.22 0.99 1.43 -0.76 -5.06 118.68 112.44 2jfk s LEU 532 Ca 0.21 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2jfk s LEU 532 Cb -0.09 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.39 2jfk s LEU 532 CO 0.44 0.12 -0.08 -0.54 0.23 0.00 0.00 176.35 176.53 2jfk s LYS 533 N -0.95 1.84 0.15 1.70 -0.14 -1.26 -3.70 119.74 117.39 2jfk s LYS 533 Ca 0.05 -0.97 -0.22 0.00 -1.36 0.00 0.00 55.97 53.47 2jfk s LYS 533 Cb -0.08 -2.55 0.03 0.00 -1.68 0.00 0.00 37.83 33.56 2jfk s LYS 533 CO 0.01 -0.53 1.63 0.28 -0.76 0.00 0.00 175.35 175.98 2jfk h VAL 534 N 6.57 0.37 -1.10 3.17 2.07 -1.87 -0.67 116.25 124.79 2jfk h VAL 534 Ca -0.22 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.61 2jfk h VAL 534 Cb 1.08 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 2jfk h VAL 534 CO 0.44 0.00 0.70 0.77 0.02 0.00 0.00 177.57 179.50 2jfk h SER 535 N -0.25 0.41 0.74 0.57 4.64 -1.96 0.11 113.55 117.81 2jfk h SER 535 Ca 0.14 0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.37 2jfk h SER 535 Cb 0.47 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2jfk h SER 535 CO -0.40 0.01 -0.91 1.56 -0.87 0.00 0.00 176.83 176.22 2jfk h GLN 536 N 0.32 0.10 -0.21 4.77 4.20 -1.57 -1.72 115.11 121.01 2jfk h GLN 536 Ca 0.66 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 59.24 2jfk h GLN 536 Cb 1.75 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.56 2jfk h GLN 536 CO -0.35 0.93 0.11 -0.07 -0.67 0.00 0.00 178.83 178.78 2jfk h LEU 537 N 0.05 0.26 -0.72 1.46 3.38 -0.25 -0.56 115.31 118.92 2jfk h LEU 537 Ca -0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2jfk h LEU 537 Cb 1.57 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2jfk h LEU 537 CO 0.13 0.29 0.46 -0.07 0.09 0.00 0.00 178.44 179.34 2jfk h LEU 538 N 0.21 0.76 -1.23 1.67 3.38 -1.08 -2.68 115.31 116.35 2jfk h LEU 538 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jfk h LEU 538 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jfk h LEU 538 CO -0.01 0.53 -0.21 -0.07 0.09 0.00 0.00 178.44 178.77 2jfk h LEU 539 N 0.90 0.00 -9.27 1.67 3.38 -1.04 -3.34 115.31 107.61 2jfk h LEU 539 Ca 0.28 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.58 2jfk h LEU 539 Cb -0.01 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.79 2jfk h LEU 539 CO -0.10 0.21 0.57 -0.24 0.09 0.00 0.00 178.44 178.97 2jfk n SER 540 N -3.41 1.95 -0.79 -0.43 2.88 -0.24 -4.86 113.62 108.71 2jfk n SER 540 Ca -0.00 1.10 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 2jfk n SER 540 Cb 0.40 -1.21 0.22 0.00 -0.75 0.00 0.00 64.21 62.87 2jfk n SER 540 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jfk n THR 541 N 3.00 0.54 -2.65 2.46 -2.24 -1.26 -4.63 114.28 109.50 2jfk n THR 541 Ca 0.20 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 2jfk n THR 541 Cb 0.19 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2jfk n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jfk s ASP 542 N -1.09 6.86 0.48 3.42 2.15 -1.26 -4.93 116.67 122.30 2jfk s ASP 542 Ca 0.30 0.91 0.20 0.00 0.43 0.00 0.00 52.55 54.39 2jfk s ASP 542 Cb 0.16 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.47 2jfk s ASP 542 CO 0.21 -0.95 1.97 1.05 -0.17 0.00 0.00 175.17 177.28 2jfk h GLU 543 N 8.33 0.19 -0.52 4.34 4.11 -2.02 -2.34 114.58 126.67 2jfk h GLU 543 Ca -0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2jfk h GLU 543 Cb 1.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jfk h GLU 543 CO 1.05 0.13 0.00 -1.13 0.07 0.00 0.00 179.01 179.12 2jfk n SER 544 N -4.43 3.21 -0.37 3.06 3.41 -1.26 -4.53 113.62 112.72 2jfk n SER 544 Ca 0.11 -1.97 -0.02 0.00 -0.26 0.00 0.00 58.87 56.74 2jfk n SER 544 Cb 0.55 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 64.28 2jfk n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfk h THR 545 N 3.73 1.25 -0.44 6.66 1.03 -1.83 -1.50 112.91 121.81 2jfk h THR 545 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 2jfk h THR 545 Cb 0.84 -0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 2jfk h THR 545 CO 0.00 0.24 0.00 0.49 -0.01 0.00 0.00 175.52 176.24 2jfk n PHE 546 N -4.39 0.63 0.23 0.00 3.01 -1.26 -3.54 117.46 112.15 2jfk n PHE 546 Ca 0.12 -0.30 0.11 0.00 1.01 0.00 0.00 57.45 58.38 2jfk n PHE 546 Cb 0.02 -0.02 0.51 0.00 -0.01 0.00 0.00 39.48 39.98 2jfk n PHE 546 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2jfk h ASP 547 N 2.57 0.00 -2.96 4.37 3.32 -1.57 -3.41 116.42 118.74 2jfk h ASP 547 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2jfk h ASP 547 Cb 0.64 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2jfk h ASP 547 CO 0.02 0.18 0.83 -0.62 -1.72 0.00 0.00 179.24 177.93 2jfk s ASP 548 N -6.12 6.96 0.39 6.45 3.68 -1.23 -4.94 116.67 121.86 2jfk s ASP 548 Ca 0.00 1.80 0.05 0.00 2.13 0.00 0.00 52.55 56.54 2jfk s ASP 548 Cb 0.10 -2.55 0.78 0.00 -1.45 0.00 0.00 42.92 39.81 2jfk s ASP 548 CO 0.62 -0.70 2.04 -0.29 0.13 0.00 0.00 175.17 176.97 2jfk h ILE 549 N 5.25 1.13 0.03 4.11 2.10 -1.92 -1.63 117.51 126.58 2jfk h ILE 549 Ca -0.31 -0.24 -0.00 0.00 1.08 0.00 0.00 64.86 65.39 2jfk h ILE 549 Cb 1.14 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 2jfk h ILE 549 CO 0.93 0.12 -0.01 0.58 -1.08 0.00 0.00 178.15 178.69 2jfk h VAL 550 N 0.65 1.35 -0.45 2.19 2.07 -1.92 -1.05 116.25 119.10 2jfk h VAL 550 Ca 0.18 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.52 2jfk h VAL 550 Cb -0.07 2.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.79 2jfk h VAL 550 CO -0.04 0.32 -0.28 0.45 0.02 0.00 0.00 177.57 178.04 2jfk h HIS 551 N -0.60 -0.76 0.37 1.57 3.86 -1.78 -1.16 115.15 116.66 2jfk h HIS 551 Ca -0.00 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2jfk h HIS 551 Cb 0.55 0.40 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 2jfk h HIS 551 CO 0.11 -0.35 -0.25 0.77 0.86 0.00 0.00 177.93 179.07 2jfk h SER 552 N -0.19 -0.66 -0.64 2.45 0.02 -1.32 -1.61 113.55 111.61 2jfk h SER 552 Ca 0.20 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.32 2jfk h SER 552 Cb 0.51 0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.13 2jfk h SER 552 CO -0.56 -0.38 -0.15 -0.26 -1.14 0.00 0.00 176.83 174.35 2jfk h PHE 553 N -0.59 -0.32 -0.46 3.45 -1.00 -0.99 0.18 116.94 117.21 2jfk h PHE 553 Ca -0.05 0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2jfk h PHE 553 Cb 0.48 0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 2jfk h PHE 553 CO -0.04 -0.27 0.14 0.28 -1.61 0.00 0.00 178.31 176.81 2jfk h VAL 554 N 0.01 1.22 -0.11 -0.55 2.07 -1.25 -2.61 116.25 115.03 2jfk h VAL 554 Ca 0.31 -0.74 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 2jfk h VAL 554 Cb 0.47 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2jfk h VAL 554 CO -0.65 0.27 -0.67 0.28 0.02 0.00 0.00 177.57 176.81 2jfk h SER 555 N 0.60 0.51 0.40 0.57 0.02 0.11 0.18 113.55 115.94 2jfk h SER 555 Ca 0.15 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2jfk h SER 555 Cb 0.26 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2jfk h SER 555 CO -0.00 1.04 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.17 2jfk h LEU 556 N 0.31 -1.35 -1.02 5.07 3.38 -0.77 -0.56 115.31 120.38 2jfk h LEU 556 Ca -0.02 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2jfk h LEU 556 Cb 1.23 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 2jfk h LEU 556 CO 0.12 -0.62 0.15 0.74 0.09 0.00 0.00 178.44 178.92 2jfk h THR 557 N -0.91 1.23 -0.46 0.22 2.02 -1.31 0.99 112.91 114.69 2jfk h THR 557 Ca -0.04 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 2jfk h THR 557 Cb 0.82 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2jfk h THR 557 CO -0.11 0.30 0.20 0.00 0.37 0.00 0.00 175.52 176.29 2jfk h ALA 558 N 1.33 0.59 -0.35 6.16 0.00 -0.88 -0.44 119.26 125.68 2jfk h ALA 558 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jfk h ALA 558 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jfk h ALA 558 CO -0.00 0.18 -0.16 0.82 0.00 0.00 0.00 179.25 180.08 2jfk h ILE 559 N 0.60 1.25 -0.87 0.00 2.04 -0.09 -1.27 117.51 119.18 2jfk h ILE 559 Ca 0.16 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 2jfk h ILE 559 Cb 0.15 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2jfk h ILE 559 CO -0.02 0.39 0.48 1.56 0.00 0.00 0.00 178.15 180.56 2jfk h GLN 560 N 0.57 1.20 -0.48 2.37 4.20 -0.56 -1.56 115.11 120.86 2jfk h GLN 560 Ca 0.09 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2jfk h GLN 560 Cb 0.60 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2jfk h GLN 560 CO 0.04 0.88 -0.04 0.82 -0.67 0.00 0.00 178.83 179.86 2jfk h ILE 561 N 1.21 1.25 0.52 2.54 2.04 -0.48 -0.42 117.51 124.16 2jfk h ILE 561 Ca 0.31 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2jfk h ILE 561 Cb 0.02 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2jfk h ILE 561 CO -0.05 0.38 -0.25 1.23 0.00 0.00 0.00 178.15 179.46 2jfk h GLY 562 N 0.98 -0.72 -0.23 5.37 0.00 -0.99 0.12 103.07 107.60 2jfk h GLY 562 Ca 0.14 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.83 2jfk h GLY 562 CO 0.03 -0.26 -0.28 1.41 0.00 0.00 0.00 176.54 177.44 2jfk h LEU 563 N -0.76 -0.94 -1.26 3.11 3.38 -1.14 0.10 115.31 117.80 2jfk h LEU 563 Ca -0.07 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2jfk h LEU 563 Cb 0.56 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2jfk h LEU 563 CO 0.12 -0.28 0.51 0.40 0.09 0.00 0.00 178.44 179.28 2jfk h ILE 564 N -0.16 1.14 -0.39 1.22 2.04 -0.80 -0.61 117.51 119.95 2jfk h ILE 564 Ca 0.22 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2jfk h ILE 564 Cb 0.51 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2jfk h ILE 564 CO -0.59 0.18 0.09 0.44 0.00 0.00 0.00 178.15 178.27 2jfk h ASP 565 N 0.97 0.59 -0.81 1.72 3.32 0.80 0.27 116.42 123.28 2jfk h ASP 565 Ca 0.31 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2jfk h ASP 565 Cb 0.02 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 2jfk h ASP 565 CO -0.09 0.67 0.53 -0.07 -1.72 0.00 0.00 179.24 178.56 2jfk h LEU 566 N 0.49 0.89 -0.17 1.55 3.38 0.18 0.60 115.31 122.24 2jfk h LEU 566 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jfk h LEU 566 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jfk h LEU 566 CO 0.00 0.63 0.09 -0.07 0.09 0.00 0.00 178.44 179.18 2jfk h LEU 567 N 1.05 0.21 -1.27 1.67 3.38 -0.98 -3.01 115.31 116.36 2jfk h LEU 567 Ca 0.31 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2jfk h LEU 567 Cb -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jfk h LEU 567 CO -0.09 0.22 -0.29 0.77 0.09 0.00 0.00 178.44 179.14 2jfk h SER 568 N 0.18 0.11 0.46 -0.43 4.64 -0.52 -1.95 113.55 116.05 2jfk h SER 568 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jfk h SER 568 Cb 0.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jfk h SER 568 CO -0.01 0.41 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 2jfk n MET 570 N -2.11 3.40 -1.39 0.00 2.81 -0.75 -4.79 117.12 114.30 2jfk n MET 570 Ca 0.01 -2.71 -0.06 0.00 -1.81 0.00 0.00 57.70 53.13 2jfk n MET 570 Cb 0.16 -1.75 -0.02 0.00 -0.71 0.00 0.00 33.22 30.90 2jfk n MET 570 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfk n GLY 571 N 0.80 0.66 3.56 3.03 0.00 0.92 -4.58 105.19 109.58 2jfk n GLY 571 Ca 0.22 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2jfk n GLY 571 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 572 N -1.38 4.07 -0.23 0.99 1.43 -1.09 -5.02 118.68 117.45 2jfk s LEU 572 Ca 0.00 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 2jfk s LEU 572 Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 2jfk s LEU 572 CO 0.00 -1.01 0.19 0.00 0.23 0.00 0.00 176.35 175.77 2jfk s ARG 573 N 3.62 4.09 0.33 1.70 3.03 -1.26 -4.40 118.95 126.05 2jfk s ARG 573 Ca 0.35 -0.20 -0.28 0.00 2.03 0.00 0.00 55.73 57.62 2jfk s ARG 573 Cb -0.11 -3.53 -0.10 0.00 -1.03 0.00 0.00 34.95 30.18 2jfk s ARG 573 CO 0.25 0.06 1.24 -1.25 -1.13 0.00 0.00 175.30 174.47 2jfk s PRO 574 N 1.06 4.39 0.19 3.89 0.04 -1.26 -4.86 135.00 138.45 2jfk s PRO 574 Ca 0.09 2.07 0.14 0.00 0.04 0.00 0.00 61.00 63.34 2jfk s PRO 574 Cb -0.14 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2jfk s PRO 574 CO 0.05 -0.10 1.25 -0.44 0.04 0.00 0.00 177.00 177.79 2jfk h ASP 575 N 3.40 0.00 -5.05 6.66 3.32 -0.74 -3.47 116.42 120.53 2jfk h ASP 575 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 2jfk h ASP 575 Cb 1.22 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 2jfk h ASP 575 CO 0.65 0.63 -0.38 -0.83 -1.72 0.00 0.00 179.24 177.59 2jfk s GLY 576 N -4.60 0.01 -0.01 2.75 0.00 -1.03 -4.67 107.32 99.77 2jfk s GLY 576 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.55 2jfk s GLY 576 CO 0.78 -0.37 -0.02 -0.42 0.00 0.00 0.00 173.10 173.07 2jfk s ILE 577 N -2.33 0.18 -0.11 0.90 1.01 -0.45 -1.29 121.20 119.12 2jfk s ILE 577 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2jfk s ILE 577 Cb -0.02 -0.19 0.04 0.00 0.01 0.00 0.00 42.46 42.30 2jfk s ILE 577 CO -0.03 0.07 0.26 -0.69 0.00 0.00 0.00 174.94 174.56 2jfk s VAL 578 N 0.20 -0.02 0.29 2.92 1.01 -0.22 -1.66 120.40 122.91 2jfk s VAL 578 Ca -0.02 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.15 2jfk s VAL 578 Cb -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2jfk s VAL 578 CO -0.01 0.04 -0.00 -0.83 0.00 0.00 0.00 175.10 174.30 2jfk s GLY 579 N 0.87 1.81 -0.18 4.51 0.00 -1.26 -0.89 107.32 112.19 2jfk s GLY 579 Ca -0.06 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.89 2jfk s GLY 579 CO -0.06 -1.79 -0.07 -1.58 0.00 0.00 0.00 173.10 169.60 2jfk s HIS 580 N -2.40 1.97 0.00 1.90 2.46 -0.39 -4.65 115.29 114.19 2jfk s HIS 580 Ca 0.33 -1.28 0.00 0.00 0.47 0.00 0.00 55.06 54.58 2jfk s HIS 580 Cb -0.04 -1.44 0.00 0.00 -0.13 0.00 0.00 32.58 30.97 2jfk s HIS 580 CO 0.20 -0.67 0.00 -1.13 -2.47 0.00 0.00 174.74 170.67 2jfk n SER 581 N 4.80 0.00 0.12 9.88 3.41 -1.26 -0.46 113.62 130.11 2jfk n SER 581 Ca -0.13 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.62 2jfk n SER 581 Cb 0.47 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.08 2jfk n SER 581 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jfk h LEU 582 N 0.00 0.01 -1.88 1.04 5.85 -1.92 -0.88 115.31 117.53 2jfk h LEU 582 Ca 0.00 0.00 0.41 0.00 0.84 0.00 0.00 57.88 59.13 2jfk h LEU 582 Cb 0.00 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2jfk h LEU 582 CO 0.00 0.01 0.99 1.23 -0.34 0.00 0.00 178.44 180.32 2jfk h GLY 583 N 0.01 0.25 2.00 3.75 0.00 -0.69 0.64 103.07 109.03 2jfk h GLY 583 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jfk h GLY 583 CO -0.00 -0.06 0.00 0.83 0.00 0.00 0.00 176.54 177.31 2jfk h GLU 584 N 0.05 0.00 0.56 4.80 5.08 -1.32 -1.24 114.58 122.51 2jfk h GLU 584 Ca 0.69 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.02 2jfk h GLU 584 Cb 2.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.88 2jfk h GLU 584 CO -0.08 0.00 -0.27 0.28 -1.00 0.00 0.00 179.01 177.94 2jfk h VAL 585 N 0.00 0.00 -0.97 3.13 2.07 -1.08 -2.96 116.25 116.44 2jfk h VAL 585 Ca 0.00 -0.24 0.30 0.00 0.82 0.00 0.00 66.70 67.58 2jfk h VAL 585 Cb 0.15 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.78 2jfk h VAL 585 CO 0.00 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.06 2jfk h ALA 586 N -1.41 1.78 -0.93 1.67 0.00 -1.57 0.53 119.26 119.33 2jfk h ALA 586 Ca -0.08 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2jfk h ALA 586 Cb 0.57 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 2jfk h ALA 586 CO 0.13 -0.56 0.57 0.00 0.00 0.00 0.00 179.25 179.38 2jfk h GLY 588 N 0.92 0.87 0.82 0.00 0.00 -0.72 0.69 103.07 105.65 2jfk h GLY 588 Ca 0.45 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.38 2jfk h GLY 588 CO -0.25 0.40 -0.02 -1.82 0.00 0.00 0.00 176.54 174.84 2jfk h TYR 589 N 0.77 -0.05 0.00 5.60 -0.00 -1.25 -0.02 116.97 122.02 2jfk h TYR 589 Ca 0.20 0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.90 2jfk h TYR 589 Cb 0.10 0.04 -0.00 0.00 -0.00 0.00 0.00 36.73 36.86 2jfk h TYR 589 CO -0.01 -0.04 -0.14 0.00 -0.00 0.00 0.00 178.16 177.97 2jfk h ALA 590 N 1.09 1.66 0.00 1.82 0.00 -0.83 -2.56 119.26 120.44 2jfk h ALA 590 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jfk h ALA 590 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jfk h ALA 590 CO -0.09 0.18 -0.43 -3.47 0.00 0.00 0.00 179.25 175.43 2jfk n ASP 591 N -4.22 0.68 0.00 0.00 2.03 0.20 -4.94 116.55 110.31 2jfk n ASP 591 Ca -0.02 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2jfk n ASP 591 Cb 0.21 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2jfk n ASP 591 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jfk n GLY 592 N 1.35 0.50 0.09 0.27 0.00 -0.70 -4.81 105.19 101.89 2jfk n GLY 592 Ca 0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2jfk n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfk s LEU 594 N -8.01 2.80 0.84 0.00 0.05 -1.00 -4.42 118.68 108.94 2jfk s LEU 594 Ca -0.21 -0.17 -0.12 0.00 0.05 0.00 0.00 54.13 53.68 2jfk s LEU 594 Cb 0.00 -1.58 0.10 0.00 -2.05 0.00 0.00 46.19 42.66 2jfk s LEU 594 CO 0.69 0.34 1.10 -0.94 -0.55 0.00 0.00 176.35 177.00 2jfk s SER 595 N -0.78 4.08 0.21 1.48 1.04 -1.26 -3.77 113.70 114.70 2jfk s SER 595 Ca 0.12 1.29 -0.09 0.00 0.48 0.00 0.00 55.95 57.74 2jfk s SER 595 Cb -0.11 -1.98 0.29 0.00 0.10 0.00 0.00 66.02 64.32 2jfk s SER 595 CO 0.01 -2.23 1.73 -0.61 0.98 0.00 0.00 173.24 173.12 2jfk h GLN 596 N -1.27 0.34 -0.51 4.02 4.15 -1.98 0.12 115.11 119.98 2jfk h GLN 596 Ca -0.48 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 58.82 2jfk h GLN 596 Cb 1.28 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2jfk h GLN 596 CO 0.59 0.23 -0.06 0.93 -1.93 0.00 0.00 178.83 178.58 2jfk h GLU 597 N 0.35 0.95 -0.23 1.69 3.07 -1.94 -0.23 114.58 118.24 2jfk h GLU 597 Ca 0.31 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2jfk h GLU 597 Cb 0.42 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2jfk h GLU 597 CO -0.34 0.99 -0.04 0.93 -1.40 0.00 0.00 179.01 179.15 2jfk h GLU 598 N 0.81 0.43 -0.32 2.33 5.08 -1.80 -2.16 114.58 118.94 2jfk h GLU 598 Ca 0.14 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jfk h GLU 598 Cb 0.60 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jfk h GLU 598 CO 0.04 0.65 0.18 0.00 -1.00 0.00 0.00 179.01 178.88 2jfk h ALA 599 N 0.76 0.40 -0.19 3.43 0.00 -0.56 -0.32 119.26 122.79 2jfk h ALA 599 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jfk h ALA 599 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jfk h ALA 599 CO 0.02 -0.19 0.04 0.28 0.00 0.00 0.00 179.25 179.40 2jfk h VAL 600 N 0.37 1.21 -0.67 0.00 2.07 -1.05 -2.50 116.25 115.68 2jfk h VAL 600 Ca 0.13 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2jfk h VAL 600 Cb 0.02 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2jfk h VAL 600 CO -0.07 0.21 0.38 -0.07 0.02 0.00 0.00 177.57 178.04 2jfk h LEU 601 N 0.11 0.81 -0.74 2.57 3.38 -1.16 -0.37 115.31 119.90 2jfk h LEU 601 Ca 0.06 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jfk h LEU 601 Cb 0.29 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2jfk h LEU 601 CO 0.00 0.64 0.47 0.00 0.09 0.00 0.00 178.44 179.64 2jfk h ALA 602 N 1.49 0.98 -0.78 1.53 0.00 -0.85 0.67 119.26 122.30 2jfk h ALA 602 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jfk h ALA 602 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jfk h ALA 602 CO -0.04 0.25 0.33 0.00 0.00 0.00 0.00 179.25 179.79 2jfk h ALA 603 N 1.32 1.02 0.49 0.00 0.00 -0.84 -1.97 119.26 119.27 2jfk h ALA 603 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jfk h ALA 603 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jfk h ALA 603 CO -0.12 0.63 -0.23 -0.92 0.00 0.00 0.00 179.25 178.60 2jfk h TYR 604 N 1.13 -0.61 -0.46 0.00 3.20 -0.38 -2.74 116.97 117.11 2jfk h TYR 604 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 2jfk h TYR 604 Cb 0.19 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2jfk h TYR 604 CO 0.02 -0.34 0.03 -1.49 -1.64 0.00 0.00 178.16 174.74 2jfk h TRP 605 N -0.74 0.86 -0.70 -3.82 -0.00 -0.89 0.32 115.95 110.98 2jfk h TRP 605 Ca -0.07 -0.14 0.14 0.00 -0.00 0.00 0.00 58.89 58.82 2jfk h TRP 605 Cb 0.54 -0.23 -0.13 0.00 -0.00 0.00 0.00 29.16 29.34 2jfk h TRP 605 CO -0.02 0.82 -0.21 -0.09 -0.00 0.00 0.00 178.44 178.93 2jfk h ARG 606 N 0.65 -0.03 -0.04 0.49 2.43 -1.42 0.33 114.38 116.79 2jfk h ARG 606 Ca 0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2jfk h ARG 606 Cb 0.46 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2jfk h ARG 606 CO 0.02 -0.02 -0.06 0.78 -1.51 0.00 0.00 179.97 179.18 2jfk h GLY 607 N -0.03 0.12 1.04 2.80 0.00 -1.08 -3.08 103.07 102.83 2jfk h GLY 607 Ca 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2jfk h GLY 607 CO -0.74 0.12 0.20 -1.61 0.00 0.00 0.00 176.54 174.51 2jfk h GLN 608 N -0.38 1.05 -0.48 4.80 5.75 -0.03 -0.97 115.11 124.86 2jfk h GLN 608 Ca 0.00 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.31 2jfk h GLN 608 Cb 0.60 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 2jfk h GLN 608 CO 0.01 0.92 0.24 0.00 -2.65 0.00 0.00 178.83 177.36 2jfk h ILE 610 N 0.48 0.70 -0.67 0.00 2.04 -1.39 -2.28 117.51 116.39 2jfk h ILE 610 Ca 0.21 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 66.09 2jfk h ILE 610 Cb 0.11 0.77 -0.12 0.00 -0.74 0.00 0.00 36.82 36.84 2jfk h ILE 610 CO -0.14 0.03 -0.03 0.50 0.00 0.00 0.00 178.15 178.51 2jfk h LYS 611 N -0.49 0.09 -0.32 2.37 3.64 -1.04 0.10 116.57 120.92 2jfk h LYS 611 Ca -0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2jfk h LYS 611 Cb 0.37 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jfk h LYS 611 CO 0.07 0.06 0.07 0.93 -2.27 0.00 0.00 179.45 178.31 2jfk h GLU 612 N 0.09 0.46 0.00 1.90 5.08 -1.30 -3.28 114.58 117.53 2jfk h GLU 612 Ca 0.35 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jfk h GLU 612 Cb 0.58 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jfk h GLU 612 CO -0.60 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 2jfk h ALA 613 N 1.62 1.00 -5.58 3.43 0.00 -0.18 -3.47 119.26 116.08 2jfk h ALA 613 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 2jfk h ALA 613 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jfk h ALA 613 CO -0.00 0.00 -0.59 0.72 0.00 0.00 0.00 179.25 179.38 2jfk n HIS 614 N -3.03 -1.12 -2.09 0.00 8.25 -1.24 -4.96 115.22 111.03 2jfk n HIS 614 Ca -0.02 0.46 -0.28 0.00 -0.26 0.00 0.00 57.72 57.63 2jfk n HIS 614 Cb 0.16 -1.30 0.06 0.00 1.12 0.00 0.00 29.99 30.02 2jfk n HIS 614 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jfk s LEU 615 N -3.04 2.87 0.91 2.41 1.43 -1.26 -5.07 118.68 116.93 2jfk s LEU 615 Ca 0.04 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2jfk s LEU 615 Cb -0.00 -3.49 0.14 0.00 0.03 0.00 0.00 46.19 42.87 2jfk s LEU 615 CO 0.46 -1.46 1.09 -2.84 0.23 0.00 0.00 176.35 173.83 2jfk s PRO 616 N -5.29 1.16 -0.05 1.29 0.02 -1.26 -4.92 135.00 125.95 2jfk s PRO 616 Ca 0.58 0.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 2jfk s PRO 616 Cb -0.11 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 2jfk s PRO 616 CO 0.48 -2.29 1.32 -1.25 -0.33 0.00 0.00 177.00 174.92 2jfk s PRO 617 N -4.95 4.29 0.50 5.54 0.04 -1.26 -4.92 135.00 134.25 2jfk s PRO 617 Ca 0.64 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.51 2jfk s PRO 617 Cb -0.18 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 2jfk s PRO 617 CO 0.57 -0.56 0.02 0.20 0.04 0.00 0.00 177.00 177.26 2jfk s GLY 618 N 1.83 3.02 0.04 0.56 0.00 0.13 -2.54 107.32 110.36 2jfk s GLY 618 Ca 0.60 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 2jfk s GLY 618 CO 0.23 -2.16 0.66 0.00 0.00 0.00 0.00 173.10 171.83 2jfk s ALA 619 N -2.93 -1.70 0.14 3.20 0.00 0.47 -3.79 121.76 117.16 2jfk s ALA 619 Ca 0.06 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.06 2jfk s ALA 619 Cb 0.01 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2jfk s ALA 619 CO 0.04 -0.56 -0.20 -1.64 0.00 0.00 0.00 175.76 173.40 2jfk s MET 620 N -2.39 1.24 -0.08 0.00 -1.94 -1.26 -1.67 119.30 113.21 2jfk s MET 620 Ca -0.05 -1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 52.55 2jfk s MET 620 Cb -0.00 -1.40 0.03 0.00 2.01 0.00 0.00 34.83 35.46 2jfk s MET 620 CO -0.01 0.30 0.19 0.00 -0.01 0.00 0.00 175.02 175.50 2jfk s ALA 621 N -1.67 -0.46 0.03 3.03 0.00 -0.70 -2.57 121.76 119.43 2jfk s ALA 621 Ca 0.13 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2jfk s ALA 621 Cb -0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2jfk s ALA 621 CO 0.06 -0.12 0.98 0.00 0.00 0.00 0.00 175.76 176.68 2jfk s ALA 622 N 0.45 3.19 -0.00 0.00 0.00 0.22 -1.55 121.76 124.07 2jfk s ALA 622 Ca -0.03 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2jfk s ALA 622 Cb -0.04 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 2jfk s ALA 622 CO -0.02 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.61 2jfk s VAL 623 N 0.76 0.17 -0.40 0.00 1.01 -0.36 -1.55 120.40 120.02 2jfk s VAL 623 Ca 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jfk s VAL 623 Cb -0.22 -0.16 0.34 0.00 0.00 0.00 0.00 36.38 36.34 2jfk s VAL 623 CO 0.29 0.05 1.91 0.61 0.00 0.00 0.00 175.10 177.96 2jfk n GLY 624 N 3.06 4.44 3.81 4.51 0.00 0.12 -2.14 105.19 118.99 2jfk n GLY 624 Ca -0.13 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 2jfk n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 625 N -2.44 3.36 0.69 0.99 1.43 -1.25 -4.79 118.68 116.67 2jfk s LEU 625 Ca 0.42 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2jfk s LEU 625 Cb 0.33 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.69 2jfk s LEU 625 CO 0.02 -0.46 1.03 -0.94 0.23 0.00 0.00 176.35 176.22 2jfk s SER 626 N -3.98 5.14 0.10 2.29 1.04 -1.26 -3.34 113.70 113.68 2jfk s SER 626 Ca 0.42 0.74 -0.28 0.00 0.48 0.00 0.00 55.95 57.31 2jfk s SER 626 Cb -0.02 -1.50 -0.12 0.00 0.10 0.00 0.00 66.02 64.47 2jfk s SER 626 CO 0.25 -1.43 1.65 -0.25 0.98 0.00 0.00 173.24 174.43 2jfk h TRP 627 N -0.56 -0.67 -0.83 5.02 2.91 -1.88 0.16 115.95 120.09 2jfk h TRP 627 Ca -0.45 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.54 2jfk h TRP 627 Cb 1.29 0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 30.16 2jfk h TRP 627 CO 0.41 -0.37 0.37 0.93 -1.03 0.00 0.00 178.44 178.75 2jfk h GLU 628 N -0.55 1.21 -0.63 2.65 4.39 -1.95 0.70 114.58 120.41 2jfk h GLU 628 Ca -0.01 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 2jfk h GLU 628 Cb 0.50 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2jfk h GLU 628 CO -0.05 0.95 0.13 1.49 -1.16 0.00 0.00 179.01 180.36 2jfk h GLU 629 N 1.19 1.01 0.39 2.33 4.81 -1.90 -1.25 114.58 121.16 2jfk h GLU 629 Ca 0.28 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jfk h GLU 629 Cb 0.16 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2jfk h GLU 629 CO -0.03 0.91 -0.19 0.00 -0.73 0.00 0.00 179.01 178.97 2jfk h LYS 631 N -0.62 -0.09 0.20 0.00 6.56 -0.54 0.49 116.57 122.56 2jfk h LYS 631 Ca -0.05 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2jfk h LYS 631 Cb 0.46 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2jfk h LYS 631 CO 0.09 -0.06 -0.09 1.96 -2.06 0.00 0.00 179.45 179.28 2jfk h GLN 632 N -0.10 -0.25 0.00 3.15 4.20 -1.15 -3.27 115.11 117.68 2jfk h GLN 632 Ca 0.28 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2jfk h GLN 632 Cb 0.57 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2jfk h GLN 632 CO -0.81 -0.03 -0.07 -0.09 -0.67 0.00 0.00 178.83 177.15 2jfk h ARG 633 N -0.44 0.00 -6.72 1.46 9.65 -0.13 -3.46 114.38 114.74 2jfk h ARG 633 Ca -0.03 0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.33 2jfk h ARG 633 Cb 0.34 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 28.96 2jfk h ARG 633 CO 0.04 0.06 0.69 0.00 2.80 0.00 0.00 179.97 183.57 2jfk s PRO 635 N -0.32 2.23 0.38 0.00 0.04 -1.26 -4.91 135.00 131.16 2jfk s PRO 635 Ca 0.57 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 2jfk s PRO 635 Cb -0.39 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2jfk s PRO 635 CO 0.41 -1.69 1.36 -1.25 0.04 0.00 0.00 177.00 175.88 2jfk s PRO 636 N -4.53 4.11 0.00 0.56 0.04 -1.26 -1.74 135.00 132.18 2jfk s PRO 636 Ca 0.65 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2jfk s PRO 636 Cb -0.20 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2jfk s PRO 636 CO 0.51 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2jfk n GLY 637 N 0.65 1.50 3.39 0.56 0.00 -1.26 -5.01 105.19 105.01 2jfk n GLY 637 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2jfk n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 638 N -2.80 2.87 0.04 1.61 1.01 -0.71 -4.20 120.40 118.23 2jfk s VAL 638 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2jfk s VAL 638 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2jfk s VAL 638 CO 0.00 0.56 -0.09 0.68 0.00 0.00 0.00 175.10 176.25 2jfk s VAL 639 N -0.11 0.61 0.24 2.92 -7.23 -0.09 -4.54 120.40 112.19 2jfk s VAL 639 Ca -0.02 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 2jfk s VAL 639 Cb -0.14 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.05 2jfk s VAL 639 CO 0.04 -0.35 1.19 -2.16 -0.31 0.00 0.00 175.10 173.51 2jfk s PRO 640 N -1.56 4.52 0.00 4.82 0.04 -1.26 -0.18 135.00 141.38 2jfk s PRO 640 Ca -0.09 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2jfk s PRO 640 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2jfk s PRO 640 CO 0.01 -0.01 0.54 0.00 0.04 0.00 0.00 177.00 177.57 2jfk n ALA 641 N 1.85 2.24 -3.07 8.56 0.00 0.16 -4.85 120.51 125.40 2jfk n ALA 641 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 53.44 52.96 2jfk n ALA 641 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 2jfk n ALA 641 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jfk s HIS 643 N -0.14 -0.96 -0.16 0.00 2.46 -0.17 0.21 115.29 116.52 2jfk s HIS 643 Ca 0.00 0.41 0.08 0.00 0.47 0.00 0.00 55.06 56.02 2jfk s HIS 643 Cb 0.00 0.17 -0.23 0.00 -0.13 0.00 0.00 32.58 32.39 2jfk s HIS 643 CO 0.00 -0.59 0.19 0.09 -2.47 0.00 0.00 174.74 171.95 2jfk n ASN 644 N 4.75 1.14 -3.44 9.88 4.13 -0.49 -0.88 115.26 130.35 2jfk n ASN 644 Ca 0.08 0.10 -0.11 0.00 1.68 0.00 0.00 54.58 56.33 2jfk n ASN 644 Cb 0.58 0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.81 2jfk n ASN 644 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2jfk s SER 645 N -6.21 0.25 0.53 6.41 1.04 -0.83 -4.11 113.70 110.79 2jfk s SER 645 Ca -0.18 -1.14 0.26 0.00 0.48 0.00 0.00 55.95 55.37 2jfk s SER 645 Cb 0.07 0.70 1.41 0.00 0.10 0.00 0.00 66.02 68.30 2jfk s SER 645 CO 0.76 -1.37 1.99 0.07 0.98 0.00 0.00 173.24 175.67 2jfk h LYS 646 N 2.11 0.00 -0.12 4.02 -0.00 -1.95 -2.24 116.57 118.39 2jfk h LYS 646 Ca -0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.21 2jfk h LYS 646 Cb 1.25 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 33.21 2jfk h LYS 646 CO 0.37 0.00 -0.84 -0.40 -0.00 0.00 0.00 179.45 178.57 2jfk n ASP 647 N -4.35 1.69 -3.68 7.07 5.68 -1.26 -4.11 116.55 117.59 2jfk n ASP 647 Ca 0.10 -2.82 -0.28 0.00 -0.50 0.00 0.00 54.79 51.29 2jfk n ASP 647 Cb 0.64 -0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 40.06 2jfk n ASP 647 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2jfk s THR 648 N -2.02 0.42 -0.07 2.12 2.01 -0.84 -3.84 115.64 113.42 2jfk s THR 648 Ca 0.36 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.67 2jfk s THR 648 Cb 0.38 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2jfk s THR 648 CO -0.10 -0.42 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.51 2jfk s VAL 649 N 1.88 2.42 -0.21 3.82 1.01 -0.91 -1.39 120.40 127.02 2jfk s VAL 649 Ca 0.04 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 2jfk s VAL 649 Cb -0.17 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2jfk s VAL 649 CO -0.17 0.57 0.44 -0.89 0.00 0.00 0.00 175.10 175.05 2jfk s THR 650 N -0.22 5.16 0.32 3.92 2.01 -1.26 -1.23 115.64 124.34 2jfk s THR 650 Ca -0.01 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.81 2jfk s THR 650 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2jfk s THR 650 CO 0.03 0.21 0.49 0.27 -0.69 0.00 0.00 174.62 174.93 2jfk s ILE 651 N 1.53 4.97 -0.02 1.82 -4.36 -0.60 0.40 121.20 124.95 2jfk s ILE 651 Ca 0.21 -0.68 -0.06 0.00 -0.26 0.00 0.00 60.65 59.85 2jfk s ILE 651 Cb -0.15 -3.79 0.01 0.00 1.25 0.00 0.00 42.46 39.78 2jfk s ILE 651 CO 0.09 -0.43 0.14 -0.55 0.24 0.00 0.00 174.94 174.42 2jfk s SER 652 N -4.05 -0.04 0.00 4.36 0.15 0.75 -1.71 113.70 113.17 2jfk s SER 652 Ca 0.39 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2jfk s SER 652 Cb -0.09 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2jfk s SER 652 CO 0.34 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2jfk n GLY 653 N 2.06 -0.85 3.77 9.45 0.00 -0.67 -0.91 105.19 118.04 2jfk n GLY 653 Ca -0.19 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 2jfk n GLY 653 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jfk s PRO 654 N -0.71 4.09 0.16 1.61 0.02 -1.26 -0.39 135.00 138.52 2jfk s PRO 654 Ca 0.00 2.37 -0.27 0.00 0.02 0.00 0.00 61.00 63.12 2jfk s PRO 654 Cb 0.00 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.61 2jfk s PRO 654 CO 0.00 -0.47 1.57 0.37 -0.33 0.00 0.00 177.00 178.14 2jfk h GLN 655 N 2.95 -0.27 0.15 5.54 4.15 -1.69 -3.07 115.11 122.87 2jfk h GLN 655 Ca -0.50 0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.95 2jfk h GLN 655 Cb 1.24 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.95 2jfk h GLN 655 CO 0.64 -0.18 -0.48 0.00 -1.93 0.00 0.00 178.83 176.87 2jfk h ALA 656 N 0.48 -0.98 -0.34 3.38 0.00 -1.92 -0.48 119.26 119.39 2jfk h ALA 656 Ca 0.15 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2jfk h ALA 656 Cb 0.57 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2jfk h ALA 656 CO -0.64 -1.09 0.24 -1.00 0.00 0.00 0.00 179.25 176.76 2jfk h PRO 657 N -0.72 0.10 -0.16 0.00 0.13 -1.96 0.42 132.00 129.80 2jfk h PRO 657 Ca -0.01 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.90 2jfk h PRO 657 Cb 0.71 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.83 2jfk h PRO 657 CO -0.24 0.06 -0.71 0.28 -0.23 0.00 0.00 178.00 177.16 2jfk h VAL 658 N 0.10 1.29 -0.24 1.56 2.07 -1.26 0.25 116.25 120.02 2jfk h VAL 658 Ca 0.16 -1.92 -0.11 0.00 0.82 0.00 0.00 66.70 65.65 2jfk h VAL 658 Cb 0.51 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2jfk h VAL 658 CO -0.02 0.61 -0.33 -0.26 0.02 0.00 0.00 177.57 177.59 2jfk h PHE 659 N 0.49 0.58 -0.17 1.57 0.04 -0.45 -2.71 116.94 116.30 2jfk h PHE 659 Ca -0.04 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.42 2jfk h PHE 659 Cb 1.34 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 2jfk h PHE 659 CO 0.09 0.77 -0.58 1.49 -0.60 0.00 0.00 178.31 179.48 2jfk h GLU 660 N 0.43 0.53 -0.25 1.51 4.81 -0.87 -2.72 114.58 118.02 2jfk h GLU 660 Ca 0.05 -0.35 -0.18 0.00 -0.13 0.00 0.00 59.36 58.74 2jfk h GLU 660 Cb 0.78 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2jfk h GLU 660 CO 0.06 0.96 -0.57 0.35 -0.73 0.00 0.00 179.01 179.08 2jfk h PHE 661 N 0.40 1.00 -0.64 0.92 3.57 -0.91 -1.15 116.94 120.13 2jfk h PHE 661 Ca 0.00 -0.37 -0.06 0.00 3.53 0.00 0.00 57.97 61.07 2jfk h PHE 661 Cb 1.13 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2jfk h PHE 661 CO 0.05 1.18 0.16 0.28 -2.23 0.00 0.00 178.31 177.74 2jfk h VAL 662 N 0.60 1.25 -0.05 1.41 2.07 -1.49 -1.82 116.25 118.22 2jfk h VAL 662 Ca 0.01 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2jfk h VAL 662 Cb 1.17 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2jfk h VAL 662 CO 0.12 0.34 0.03 -0.33 0.02 0.00 0.00 177.57 177.75 2jfk h GLU 663 N 0.96 0.07 -0.61 1.57 4.39 -1.15 0.15 114.58 119.96 2jfk h GLU 663 Ca 0.21 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.02 2jfk h GLU 663 Cb 0.33 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 2jfk h GLU 663 CO -0.00 0.15 -0.01 0.37 -1.16 0.00 0.00 179.01 178.35 2jfk h GLN 664 N -0.03 0.10 -0.25 2.33 5.75 -1.06 -1.96 115.11 119.99 2jfk h GLN 664 Ca 0.02 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 2jfk h GLN 664 Cb 0.10 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 2jfk h GLN 664 CO -0.00 0.07 -0.28 -0.07 -2.65 0.00 0.00 178.83 175.89 2jfk h LEU 665 N 0.10 0.68 -0.51 -2.39 3.38 -0.98 -2.77 115.31 112.82 2jfk h LEU 665 Ca 0.32 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jfk h LEU 665 Cb 0.51 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2jfk h LEU 665 CO -0.54 1.03 0.20 0.03 0.09 0.00 0.00 178.44 179.26 2jfk h ARG 666 N 0.35 0.38 -0.01 1.13 2.47 -0.56 -0.76 114.38 117.39 2jfk h ARG 666 Ca 0.04 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2jfk h ARG 666 Cb 0.85 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2jfk h ARG 666 CO 0.07 0.25 -0.05 0.87 0.56 0.00 0.00 179.97 181.67 2jfk h LYS 667 N 0.39 0.01 -0.64 0.04 1.79 -1.20 -1.41 116.57 115.56 2jfk h LYS 667 Ca 0.24 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2jfk h LYS 667 Cb 0.24 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2jfk h LYS 667 CO -0.23 0.06 0.00 -0.85 -1.08 0.00 0.00 179.45 177.35 2jfk n GLU 668 N -4.48 4.07 -0.73 3.15 0.28 -0.73 -4.93 120.64 117.28 2jfk n GLU 668 Ca -0.03 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.07 2jfk n GLU 668 Cb 0.13 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 30.99 2jfk n GLU 668 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jfk n GLY 669 N 0.96 0.61 3.79 -1.84 0.00 -0.53 -5.05 105.19 103.12 2jfk n GLY 669 Ca 0.26 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2jfk n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 670 N -2.00 5.00 0.02 1.61 1.01 -0.37 -5.02 120.40 120.65 2jfk s VAL 670 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 2jfk s VAL 670 Cb 0.00 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 2jfk s VAL 670 CO 0.00 0.48 1.72 0.12 0.00 0.00 0.00 175.10 177.41 2jfk s PHE 671 N -0.46 2.04 -0.46 5.22 5.36 -1.26 -3.99 117.98 124.43 2jfk s PHE 671 Ca 0.26 0.12 0.06 0.00 -0.96 0.00 0.00 56.93 56.41 2jfk s PHE 671 Cb -0.17 -4.00 0.19 0.00 -0.34 0.00 0.00 43.02 38.70 2jfk s PHE 671 CO 0.14 -4.20 0.58 0.00 -1.46 0.00 0.00 175.22 170.27 2jfk n ALA 672 N 6.51 0.46 -2.26 11.12 0.00 -1.26 0.10 120.51 135.19 2jfk n ALA 672 Ca 0.17 -2.13 -0.42 0.00 0.00 0.00 0.00 53.44 51.07 2jfk n ALA 672 Cb 0.41 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2jfk n ALA 672 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jfk s LYS 673 N 0.31 4.49 0.74 0.00 3.01 -0.60 -4.88 119.74 122.81 2jfk s LYS 673 Ca 0.32 1.77 -0.14 0.00 -1.01 0.00 0.00 55.97 56.91 2jfk s LYS 673 Cb 0.06 -3.31 0.04 0.00 -1.01 0.00 0.00 37.83 33.61 2jfk s LYS 673 CO -0.14 -0.14 1.17 -1.21 0.51 0.00 0.00 175.35 175.54 2jfk s GLU 674 N 0.44 2.18 -0.05 1.68 0.41 -1.26 0.72 118.70 122.81 2jfk s GLU 674 Ca 0.55 1.60 0.02 0.00 -0.41 0.00 0.00 54.97 56.73 2jfk s GLU 674 Cb -0.30 -1.85 0.02 0.00 -1.78 0.00 0.00 34.13 30.21 2jfk s GLU 674 CO 0.32 -1.77 -0.09 0.14 -0.49 0.00 0.00 175.26 173.37 2jfk s VAL 675 N -2.21 0.85 -0.15 2.63 -7.23 -1.06 -4.66 120.40 108.56 2jfk s VAL 675 Ca 0.71 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 60.26 2jfk s VAL 675 Cb -0.25 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 2jfk s VAL 675 CO 0.47 0.29 1.54 -0.60 -0.31 0.00 0.00 175.10 176.48 2jfk s ARG 676 N 0.68 4.04 -0.05 4.82 3.52 -1.26 -4.48 118.95 126.22 2jfk s ARG 676 Ca -0.12 1.84 0.07 0.00 -0.13 0.00 0.00 55.73 57.39 2jfk s ARG 676 Cb -0.14 -3.95 0.11 0.00 -1.56 0.00 0.00 34.95 29.41 2jfk s ARG 676 CO 0.02 -0.99 1.03 0.25 -0.81 0.00 0.00 175.30 174.80 2jfk n THR 677 N 5.82 0.74 -3.03 4.11 -2.24 -1.26 -4.88 114.28 113.55 2jfk n THR 677 Ca 0.17 -0.88 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 2jfk n THR 677 Cb 0.44 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.97 2jfk n THR 677 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jfk n GLY 678 N -0.56 -0.09 2.25 3.38 0.00 -1.26 -2.74 105.19 106.17 2jfk n GLY 678 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jfk n GLY 678 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfk n GLY 679 N -1.41 0.41 3.86 -0.02 0.00 -1.26 -5.01 105.19 101.75 2jfk n GLY 679 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2jfk n GLY 679 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jfk s MET 680 N -0.41 3.32 -0.86 1.61 0.00 -1.11 0.17 119.30 122.02 2jfk s MET 680 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 55.69 55.36 2jfk s MET 680 Cb 0.00 -3.04 0.24 0.00 0.00 0.00 0.00 34.83 32.03 2jfk s MET 680 CO 0.00 0.69 0.88 0.00 0.00 0.00 0.00 175.02 176.59 2jfk n ALA 681 N 1.26 4.08 -0.98 4.11 0.00 -1.26 -3.98 120.51 123.74 2jfk n ALA 681 Ca -0.14 -4.67 -0.31 0.00 0.00 0.00 0.00 53.44 48.33 2jfk n ALA 681 Cb 0.53 -1.59 0.14 0.00 0.00 0.00 0.00 19.45 18.53 2jfk n ALA 681 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jfk s PHE 682 N -1.88 2.07 -1.31 0.00 2.99 -1.26 -4.04 117.98 114.54 2jfk s PHE 682 Ca 0.31 1.57 -0.08 0.00 0.00 0.00 0.00 56.93 58.73 2jfk s PHE 682 Cb 0.00 -3.18 -0.00 0.00 0.00 0.00 0.00 43.02 39.84 2jfk s PHE 682 CO -0.06 -2.46 0.55 0.72 -0.00 0.00 0.00 175.22 173.97 2jfk n HIS 683 N -3.97 -1.73 -3.87 0.36 8.25 -1.16 -4.82 115.22 108.28 2jfk n HIS 683 Ca 0.09 0.64 -0.09 0.00 -0.26 0.00 0.00 57.72 58.10 2jfk n HIS 683 Cb 0.53 -3.66 -0.00 0.00 1.12 0.00 0.00 29.99 27.98 2jfk n HIS 683 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfk s SER 684 N -4.08 -0.02 0.53 0.41 1.04 -1.21 -4.38 113.70 105.99 2jfk s SER 684 Ca 0.16 -0.97 0.27 0.00 0.48 0.00 0.00 55.95 55.89 2jfk s SER 684 Cb -0.06 0.77 1.42 0.00 0.10 0.00 0.00 66.02 68.25 2jfk s SER 684 CO 0.88 -1.49 1.96 0.10 0.98 0.00 0.00 173.24 175.67 2jfk h TYR 685 N 2.03 0.01 -0.28 5.02 -0.00 -1.87 -1.76 116.97 120.12 2jfk h TYR 685 Ca -0.27 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.55 2jfk h TYR 685 Cb 1.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.96 2jfk h TYR 685 CO 0.96 0.00 0.52 0.74 -0.00 0.00 0.00 178.16 180.39 2jfk h PHE 686 N 0.01 0.00 0.00 0.10 -1.00 -1.96 -1.76 116.94 112.33 2jfk h PHE 686 Ca 0.31 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2jfk h PHE 686 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 2jfk h PHE 686 CO -0.00 0.00 -0.66 -1.33 -1.61 0.00 0.00 178.31 174.71 2jfk n MET 687 N -3.26 0.06 0.25 1.51 2.81 -0.66 -4.29 117.12 113.54 2jfk n MET 687 Ca 0.05 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 56.02 2jfk n MET 687 Cb 0.64 -1.52 0.62 0.00 -0.71 0.00 0.00 33.22 32.25 2jfk n MET 687 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jfk h GLU 688 N 0.00 0.00 0.00 0.03 5.08 -1.49 -0.12 114.58 118.08 2jfk h GLU 688 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jfk h GLU 688 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jfk h GLU 688 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 2jfk n ALA 689 N -2.53 1.32 0.81 3.43 0.00 -1.26 -2.65 120.51 119.64 2jfk n ALA 689 Ca -0.03 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2jfk n ALA 689 Cb 0.12 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 2jfk n ALA 689 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jfk n ILE 690 N -1.96 0.00 0.21 0.00 5.41 -0.06 -4.60 119.36 118.36 2jfk n ILE 690 Ca 0.01 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.53 2jfk n ILE 690 Cb 0.11 0.97 -0.08 0.00 -0.71 0.00 0.00 39.64 39.93 2jfk n ILE 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jfk h ALA 691 N 2.49 -0.56 -0.49 -1.39 0.00 -1.51 -2.46 119.26 115.34 2jfk h ALA 691 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jfk h ALA 691 Cb 0.43 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2jfk h ALA 691 CO 0.00 -0.65 -0.05 -1.35 0.00 0.00 0.00 179.25 177.20 2jfk h PRO 692 N -0.90 0.06 -0.17 0.00 0.11 -1.81 0.38 132.00 129.68 2jfk h PRO 692 Ca -0.06 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2jfk h PRO 692 Cb 0.56 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2jfk h PRO 692 CO 0.09 0.04 0.07 -1.35 -0.21 0.00 0.00 178.00 176.64 2jfk h PRO 693 N 0.06 0.24 -0.44 1.05 0.11 -1.84 -2.46 132.00 128.72 2jfk h PRO 693 Ca 0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2jfk h PRO 693 Cb 0.37 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2jfk h PRO 693 CO -0.45 0.32 0.24 1.25 -0.21 0.00 0.00 178.00 179.14 2jfk h LEU 694 N 0.12 0.56 -1.29 2.35 5.85 -1.04 -1.64 115.31 120.22 2jfk h LEU 694 Ca 0.06 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jfk h LEU 694 Cb 0.16 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2jfk h LEU 694 CO -0.01 0.50 0.49 0.25 -0.34 0.00 0.00 178.44 179.33 2jfk h LEU 695 N 0.58 0.81 -0.29 2.25 5.85 -0.25 0.80 115.31 125.06 2jfk h LEU 695 Ca 0.16 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2jfk h LEU 695 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2jfk h LEU 695 CO -0.02 0.57 0.02 1.56 -0.34 0.00 0.00 178.44 180.22 2jfk h GLN 696 N 0.95 0.50 -0.15 1.25 7.50 -0.93 -1.45 115.11 122.77 2jfk h GLN 696 Ca 0.29 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 59.24 2jfk h GLN 696 Cb -0.02 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.46 2jfk h GLN 696 CO -0.07 0.64 -0.09 0.93 -1.50 0.00 0.00 178.83 178.74 2jfk h GLU 697 N 0.30 0.32 0.00 1.46 4.39 -0.63 -3.17 114.58 117.25 2jfk h GLU 697 Ca 0.08 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2jfk h GLU 697 Cb 0.40 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jfk h GLU 697 CO 0.01 0.66 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.12 2jfk h LEU 698 N -0.02 0.00 -1.31 1.33 4.07 -0.92 -2.22 115.31 116.24 2jfk h LEU 698 Ca 0.03 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.06 2jfk h LEU 698 Cb 0.57 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 2jfk h LEU 698 CO 0.02 0.33 0.51 0.11 -1.08 0.00 0.00 178.44 178.33 2jfk h LYS 699 N 0.00 0.81 0.01 1.13 1.79 -1.23 0.24 116.57 119.32 2jfk h LYS 699 Ca -0.00 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.20 2jfk h LYS 699 Cb 0.86 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2jfk h LYS 699 CO 0.04 0.54 -1.03 0.87 -1.08 0.00 0.00 179.45 178.79 2jfk h LYS 700 N 0.84 0.02 0.26 3.15 1.79 -1.44 -3.36 116.57 117.82 2jfk h LYS 700 Ca 0.34 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.77 2jfk h LYS 700 Cb 0.25 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2jfk h LYS 700 CO -0.12 1.00 -0.13 0.28 -1.08 0.00 0.00 179.45 179.41 2jfk h VAL 701 N 0.00 0.11 -2.92 0.50 2.07 -1.03 -3.39 116.25 111.60 2jfk h VAL 701 Ca -0.02 -0.79 -0.78 0.00 0.82 0.00 0.00 66.70 65.92 2jfk h VAL 701 Cb 1.79 0.20 -0.24 0.00 -1.52 0.00 0.00 31.29 31.51 2jfk h VAL 701 CO 0.13 0.03 0.88 -0.38 0.02 0.00 0.00 177.57 178.25 2jfk n ILE 702 N -5.01 4.54 -3.11 4.57 -0.00 0.80 -4.91 119.36 116.25 2jfk n ILE 702 Ca -0.05 -5.18 -0.33 0.00 -0.00 0.00 0.00 62.75 57.19 2jfk n ILE 702 Cb 0.16 -2.48 -0.06 0.00 -0.00 0.00 0.00 39.64 37.26 2jfk n ILE 702 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jfk s ARG 703 N -0.45 4.07 -0.89 0.38 1.70 -1.26 -4.36 118.95 118.14 2jfk s ARG 703 Ca 0.35 0.74 -0.06 0.00 -0.47 0.00 0.00 55.73 56.29 2jfk s ARG 703 Cb -0.05 -2.51 -0.00 0.00 -0.57 0.00 0.00 34.95 31.81 2jfk s ARG 703 CO -0.03 0.20 0.70 -0.85 -1.08 0.00 0.00 175.30 174.24 2jfk n GLU 704 N -0.15 -1.38 -1.69 3.89 0.28 -1.26 -4.85 120.64 115.48 2jfk n GLU 704 Ca 0.02 0.94 -0.43 0.00 -0.16 0.00 0.00 57.16 57.54 2jfk n GLU 704 Cb 0.53 -4.12 -0.03 0.00 1.43 0.00 0.00 31.44 29.24 2jfk n GLU 704 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2jfk n PRO 705 N -2.77 2.67 -3.13 3.44 -0.02 -1.26 -4.99 135.00 128.94 2jfk n PRO 705 Ca -0.14 0.97 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 2jfk n PRO 705 Cb 0.59 -2.84 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 2jfk n PRO 705 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jfk s LYS 706 N 2.34 3.79 0.37 -0.52 1.02 -1.26 -4.89 119.74 120.58 2jfk s LYS 706 Ca 0.81 0.35 -0.24 0.00 0.02 0.00 0.00 55.97 56.91 2jfk s LYS 706 Cb -0.52 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.17 2jfk s LYS 706 CO 0.38 0.13 0.96 -1.25 -0.92 0.00 0.00 175.35 174.64 2jfk s PRO 707 N -3.42 4.41 0.23 -1.68 0.04 -1.26 -2.72 135.00 130.60 2jfk s PRO 707 Ca 0.49 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2jfk s PRO 707 Cb -0.11 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 2jfk s PRO 707 CO 0.26 0.12 1.13 1.03 0.04 0.00 0.00 177.00 179.59 2jfk s ARG 708 N -2.46 4.58 0.83 4.56 0.52 -0.15 -4.76 118.95 122.06 2jfk s ARG 708 Ca 0.55 1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 57.45 2jfk s ARG 708 Cb -0.16 -3.22 0.09 0.00 0.52 0.00 0.00 34.95 32.17 2jfk s ARG 708 CO 0.21 0.08 1.13 -1.54 0.02 0.00 0.00 175.30 175.19 2jfk s SER 709 N -0.36 4.30 0.08 0.23 1.04 -1.26 -4.90 113.70 112.82 2jfk s SER 709 Ca 0.48 1.05 0.19 0.00 0.48 0.00 0.00 55.95 58.16 2jfk s SER 709 Cb -0.32 -1.69 0.80 0.00 0.10 0.00 0.00 66.02 64.91 2jfk s SER 709 CO 0.38 -2.06 1.60 0.00 0.98 0.00 0.00 173.24 174.15 2jfk n ALA 710 N -3.46 1.78 0.13 5.32 0.00 -1.26 -2.51 120.51 120.51 2jfk n ALA 710 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2jfk n ALA 710 Cb 0.58 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.92 2jfk n ALA 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfk h ARG 711 N 0.00 0.09 -5.24 0.00 3.08 -1.93 -3.42 114.38 106.97 2jfk h ARG 711 Ca 0.00 -0.06 -0.66 0.00 0.07 0.00 0.00 59.98 59.34 2jfk h ARG 711 Cb 0.34 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.23 2jfk h ARG 711 CO 0.00 0.61 0.28 -0.46 -1.07 0.00 0.00 179.97 179.33 2jfk s TRP 712 N -3.84 2.91 -0.12 3.04 -0.00 -1.04 -1.34 118.94 118.56 2jfk s TRP 712 Ca -0.03 -0.47 -0.25 0.00 -0.00 0.00 0.00 56.10 55.35 2jfk s TRP 712 Cb 0.13 -3.88 -0.02 0.00 -0.00 0.00 0.00 33.47 29.70 2jfk s TRP 712 CO 0.77 -1.26 0.81 -0.51 -0.00 0.00 0.00 176.95 176.75 2jfk s LEU 713 N 3.23 4.24 0.27 5.86 1.43 -0.67 -4.84 118.68 128.20 2jfk s LEU 713 Ca 0.20 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 2jfk s LEU 713 Cb -0.18 -3.22 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 2jfk s LEU 713 CO 0.13 -0.29 1.03 -0.55 0.23 0.00 0.00 176.35 176.89 2jfk s SER 714 N 1.03 7.40 0.00 2.29 0.15 -1.26 -4.41 113.70 118.91 2jfk s SER 714 Ca 0.40 2.13 0.15 0.00 0.70 0.00 0.00 55.95 59.33 2jfk s SER 714 Cb -0.17 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.45 2jfk s SER 714 CO 0.16 -0.03 0.76 0.35 1.20 0.00 0.00 173.24 175.67 2jfk n THR 715 N 1.25 0.00 0.39 6.45 -2.24 -1.26 -4.47 114.28 114.40 2jfk n THR 715 Ca -0.01 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.62 2jfk n THR 715 Cb 0.46 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 2jfk n THR 715 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jfk n SER 716 N -0.65 0.47 -4.02 3.42 3.41 -1.26 0.43 113.62 115.42 2jfk n SER 716 Ca 0.05 -0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 58.16 2jfk n SER 716 Cb 0.29 1.28 -0.17 0.00 -0.26 0.00 0.00 64.21 65.35 2jfk n SER 716 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jfk s ILE 717 N -3.30 1.25 0.60 -1.33 1.01 -1.26 -4.82 121.20 113.36 2jfk s ILE 717 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 2jfk s ILE 717 Cb 0.14 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2jfk s ILE 717 CO 0.86 0.39 1.27 -2.65 0.00 0.00 0.00 174.94 174.81 2jfk n PRO 718 N 4.14 1.31 -0.10 2.79 -0.02 -1.26 -4.77 135.00 137.08 2jfk n PRO 718 Ca -0.20 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 2jfk n PRO 718 Cb 0.51 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2jfk n PRO 718 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jfk h GLU 719 N 0.88 -0.05 0.00 -0.52 4.81 -1.98 -1.52 114.58 116.19 2jfk h GLU 719 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2jfk h GLU 719 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2jfk h GLU 719 CO 0.54 -0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2jfk n ALA 720 N -2.73 1.36 -2.27 2.92 0.00 -1.26 -0.85 120.51 117.68 2jfk n ALA 720 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2jfk n ALA 720 Cb 0.23 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.70 2jfk n ALA 720 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jfk n GLN 721 N -1.21 2.63 0.08 0.00 3.00 -0.57 -4.79 117.38 116.52 2jfk n GLN 721 Ca 0.01 -3.76 -0.16 0.00 -0.01 0.00 0.00 57.00 53.08 2jfk n GLN 721 Cb 0.01 -1.88 -0.14 0.00 0.00 0.00 0.00 30.24 28.23 2jfk n GLN 721 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 2jfk h TRP 722 N 2.15 0.47 -0.21 1.08 4.06 -1.02 -3.35 115.95 119.12 2jfk h TRP 722 Ca 0.14 -0.34 -0.29 0.00 2.06 0.00 0.00 58.89 60.46 2jfk h TRP 722 Cb 1.42 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 29.58 2jfk h TRP 722 CO 0.69 1.32 0.90 -2.39 -3.56 0.00 0.00 178.44 175.40 2jfk n HIS 723 N -3.49 1.65 -3.69 0.49 1.44 -1.26 -4.49 115.22 105.86 2jfk n HIS 723 Ca -0.12 -0.94 -0.14 0.00 -2.01 0.00 0.00 57.72 54.51 2jfk n HIS 723 Cb 1.03 -2.27 -0.08 0.00 0.12 0.00 0.00 29.99 28.80 2jfk n HIS 723 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2jfk s SER 724 N 7.06 -0.31 0.10 4.39 0.15 -1.26 -5.04 113.70 118.79 2jfk s SER 724 Ca 0.72 0.22 -0.15 0.00 0.70 0.00 0.00 55.95 57.44 2jfk s SER 724 Cb 0.02 0.38 -0.08 0.00 -1.71 0.00 0.00 66.02 64.63 2jfk s SER 724 CO 0.18 -0.52 1.44 0.28 1.20 0.00 0.00 173.24 175.82 2jfk h SER 725 N 3.54 0.71 -0.11 5.45 0.02 -1.91 0.11 113.55 121.36 2jfk h SER 725 Ca -0.29 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.23 2jfk h SER 725 Cb 1.17 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2jfk h SER 725 CO 0.40 1.00 0.01 0.25 -1.14 0.00 0.00 176.83 177.36 2jfk h LEU 726 N 0.43 -0.01 -1.82 5.07 5.85 -1.94 -2.54 115.31 120.34 2jfk h LEU 726 Ca 0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2jfk h LEU 726 Cb 0.77 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2jfk h LEU 726 CO 0.06 0.01 -0.11 0.00 -0.34 0.00 0.00 178.44 178.06 2jfk h ALA 727 N 1.09 1.18 -0.75 1.25 0.00 -1.81 -3.29 119.26 116.92 2jfk h ALA 727 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jfk h ALA 727 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jfk h ALA 727 CO -0.08 0.14 0.48 -0.09 0.00 0.00 0.00 179.25 179.71 2jfk h ARG 728 N 0.00 1.00 -4.71 0.00 2.43 -0.32 -3.43 114.38 109.34 2jfk h ARG 728 Ca -0.00 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 2jfk h ARG 728 Cb 0.39 -0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 2jfk h ARG 728 CO 0.01 0.67 -0.67 0.95 -1.51 0.00 0.00 179.97 179.43 2jfk s THR 729 N -5.83 0.61 -1.46 0.20 -4.23 -1.24 -0.98 115.64 102.71 2jfk s THR 729 Ca -0.11 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.35 2jfk s THR 729 Cb 0.18 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 72.05 2jfk s THR 729 CO 0.79 -0.58 2.53 -0.24 -0.54 0.00 0.00 174.62 176.58 2jfk n SER 730 N -0.17 7.33 -4.79 3.99 2.88 -1.10 -4.68 113.62 117.08 2jfk n SER 730 Ca -0.08 -2.86 -0.29 0.00 -1.33 0.00 0.00 58.87 54.31 2jfk n SER 730 Cb 0.63 -1.50 0.13 0.00 -0.75 0.00 0.00 64.21 62.71 2jfk n SER 730 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jfk s SER 731 N 1.59 3.64 0.43 -3.46 1.04 -1.26 -4.78 113.70 110.90 2jfk s SER 731 Ca 0.58 0.92 0.10 0.00 0.48 0.00 0.00 55.95 58.02 2jfk s SER 731 Cb 0.16 -1.48 0.94 0.00 0.10 0.00 0.00 66.02 65.75 2jfk s SER 731 CO -0.07 -2.46 2.05 0.00 0.98 0.00 0.00 173.24 173.74 2jfk h ALA 732 N -1.44 1.81 -0.10 5.32 0.00 -1.82 -2.03 119.26 121.00 2jfk h ALA 732 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2jfk h ALA 732 Cb 1.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jfk h ALA 732 CO 0.62 0.15 0.03 0.93 0.00 0.00 0.00 179.25 180.98 2jfk h GLU 733 N 0.46 0.16 -0.67 0.00 3.07 -1.92 -2.06 114.58 113.63 2jfk h GLU 733 Ca 0.16 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2jfk h GLU 733 Cb 0.07 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 2jfk h GLU 733 CO -0.04 0.33 0.37 -0.92 -1.40 0.00 0.00 179.01 177.35 2jfk h TYR 734 N -0.04 0.68 -0.63 4.33 3.20 -1.72 -0.98 116.97 121.80 2jfk h TYR 734 Ca 0.03 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2jfk h TYR 734 Cb 0.24 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2jfk h TYR 734 CO 0.00 0.32 0.13 -0.91 -1.64 0.00 0.00 178.16 176.07 2jfk h ASN 735 N 0.68 0.95 -0.17 -2.11 4.21 -1.36 -1.73 115.58 116.04 2jfk h ASN 735 Ca 0.30 -0.20 -0.15 0.00 1.21 0.00 0.00 56.30 57.45 2jfk h ASN 735 Cb 0.19 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 2jfk h ASN 735 CO -0.18 0.93 -0.45 -0.37 -1.29 0.00 0.00 177.43 176.07 2jfk h VAL 736 N 0.95 1.29 -0.90 2.81 -1.51 -0.99 -2.95 116.25 114.96 2jfk h VAL 736 Ca 0.20 -1.64 0.01 0.00 -1.23 0.00 0.00 66.70 64.04 2jfk h VAL 736 Cb 0.37 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 2jfk h VAL 736 CO 0.00 0.53 0.59 -1.13 -1.23 0.00 0.00 177.57 176.34 2jfk h ASN 737 N 0.59 1.03 -0.50 4.19 -0.00 -0.97 -2.50 115.58 117.41 2jfk h ASN 737 Ca 0.04 -0.03 0.06 0.00 -0.00 0.00 0.00 56.30 56.38 2jfk h ASN 737 Cb 1.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 39.01 2jfk h ASN 737 CO 0.10 0.74 0.19 -1.13 -0.00 0.00 0.00 177.43 177.33 2jfk h ASN 738 N 1.21 0.21 -0.56 1.15 -0.00 -1.20 0.98 115.58 117.37 2jfk h ASN 738 Ca 0.33 0.06 -0.04 0.00 -0.00 0.00 0.00 56.30 56.65 2jfk h ASN 738 Cb -0.13 0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 38.19 2jfk h ASN 738 CO -0.07 0.15 0.23 0.25 -0.00 0.00 0.00 177.43 177.98 2jfk h LEU 739 N 0.37 0.81 0.00 0.34 5.85 -1.29 -3.15 115.31 118.25 2jfk h LEU 739 Ca 0.24 -0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 2jfk h LEU 739 Cb 0.24 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2jfk h LEU 739 CO -0.23 0.73 -1.89 0.52 -0.34 0.00 0.00 178.44 177.23 2jfk n VAL 740 N -4.31 1.30 -2.92 1.05 0.31 -1.10 -3.01 118.33 109.65 2jfk n VAL 740 Ca 0.05 -0.77 -0.26 0.00 -0.01 0.00 0.00 64.34 63.35 2jfk n VAL 740 Cb 0.18 -0.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.42 2jfk n VAL 740 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2jfk s SER 741 N -5.68 6.28 0.86 4.52 0.01 0.32 -3.32 113.70 116.69 2jfk s SER 741 Ca -0.06 0.76 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 2jfk s SER 741 Cb 0.08 -2.17 0.11 0.00 0.21 0.00 0.00 66.02 64.25 2jfk s SER 741 CO 0.83 -0.46 1.11 -2.16 0.41 0.00 0.00 173.24 172.97 2jfk s PRO 742 N -4.54 1.52 -0.58 12.44 0.04 -1.26 -4.63 135.00 137.98 2jfk s PRO 742 Ca 0.45 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 2jfk s PRO 742 Cb -0.10 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.73 2jfk s PRO 742 CO 0.41 -2.19 0.69 0.08 0.04 0.00 0.00 177.00 176.02 2jfk s VAL 743 N -2.79 4.84 -1.35 -0.36 1.01 0.13 -4.51 120.40 117.38 2jfk s VAL 743 Ca 0.64 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2jfk s VAL 743 Cb -0.20 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 31.84 2jfk s VAL 743 CO 0.57 -1.08 2.08 0.18 0.00 0.00 0.00 175.10 176.86 2jfk n LEU 744 N 6.26 6.99 -0.07 3.92 4.77 0.17 -1.00 117.00 138.04 2jfk n LEU 744 Ca -0.09 -4.54 -0.14 0.00 -0.03 0.00 0.00 56.01 51.21 2jfk n LEU 744 Cb 0.43 -1.51 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 2jfk n LEU 744 CO 0.58 1.43 0.18 0.15 -1.33 0.00 0.00 177.39 178.40 2jfk h PHE 745 N 5.63 0.00 -0.76 -1.77 3.57 -1.74 -3.20 116.94 118.68 2jfk h PHE 745 Ca 0.50 0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.16 2jfk h PHE 745 Cb 0.57 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.21 2jfk h PHE 745 CO 1.38 0.98 0.23 0.37 -2.23 0.00 0.00 178.31 179.03 2jfk h GLN 746 N -1.00 0.31 -0.15 1.11 -0.00 -1.16 -0.72 115.11 113.49 2jfk h GLN 746 Ca -0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.52 2jfk h GLN 746 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.35 2jfk h GLN 746 CO -0.04 0.20 -0.12 0.93 0.00 0.00 0.00 178.83 179.81 2jfk h GLU 747 N 0.32 0.23 -0.17 1.69 3.07 -1.84 -1.27 114.58 116.62 2jfk h GLU 747 Ca 0.43 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.11 2jfk h GLU 747 Cb 0.74 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2jfk h GLU 747 CO -0.49 0.35 -0.41 0.00 -1.40 0.00 0.00 179.01 177.06 2jfk h ALA 748 N 1.67 0.27 -0.35 3.43 0.00 -1.17 -3.24 119.26 119.88 2jfk h ALA 748 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jfk h ALA 748 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jfk h ALA 748 CO 0.02 0.38 0.23 -0.07 0.00 0.00 0.00 179.25 179.81 2jfk h LEU 749 N 0.22 0.36 -1.65 0.00 3.38 -0.66 -1.85 115.31 115.11 2jfk h LEU 749 Ca -0.00 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.24 2jfk h LEU 749 Cb 1.02 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 2jfk h LEU 749 CO 0.09 0.26 0.70 -0.25 0.09 0.00 0.00 178.44 179.33 2jfk h TRP 750 N 0.43 0.37 0.00 1.13 7.01 -1.27 -0.42 115.95 123.20 2jfk h TRP 750 Ca 0.13 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2jfk h TRP 750 Cb 0.02 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 2jfk h TRP 750 CO -0.00 0.04 0.00 0.45 -2.79 0.00 0.00 178.44 176.14 2jfk h HIS 751 N 0.23 0.00 -2.70 2.65 3.86 -1.49 -3.45 115.15 114.25 2jfk h HIS 751 Ca 0.55 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.22 2jfk h HIS 751 Cb 1.70 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.19 2jfk h HIS 751 CO -0.00 0.00 0.99 0.08 0.86 0.00 0.00 177.93 179.85 2jfk s VAL 752 N -3.13 2.90 1.10 2.45 1.01 -0.17 -4.96 120.40 119.59 2jfk s VAL 752 Ca 0.10 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2jfk s VAL 752 Cb 0.11 -3.28 0.24 0.00 0.00 0.00 0.00 36.38 33.46 2jfk s VAL 752 CO 0.59 0.01 1.15 -2.16 0.00 0.00 0.00 175.10 174.69 2jfk s PRO 753 N 2.34 -0.44 0.20 2.72 0.04 -1.26 -4.96 135.00 133.64 2jfk s PRO 753 Ca 0.74 -0.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 2jfk s PRO 753 Cb -0.41 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.56 2jfk s PRO 753 CO 0.32 -3.20 1.68 1.49 0.04 0.00 0.00 177.00 177.34 2jfk h GLU 754 N -2.21 1.08 -0.52 4.56 4.57 -1.99 -3.13 114.58 116.94 2jfk h GLU 754 Ca -0.47 -0.31 -0.30 0.00 -1.18 0.00 0.00 59.36 57.10 2jfk h GLU 754 Cb 1.29 -0.12 -0.18 0.00 -0.16 0.00 0.00 28.75 29.58 2jfk h GLU 754 CO 0.41 1.01 -0.04 0.72 -1.18 0.00 0.00 179.01 179.93 2jfk n HIS 755 N -4.20 1.66 -2.00 0.92 8.25 -1.26 -3.50 115.22 115.10 2jfk n HIS 755 Ca 0.04 -1.85 -0.38 0.00 -0.26 0.00 0.00 57.72 55.26 2jfk n HIS 755 Cb 0.31 -0.60 0.02 0.00 1.12 0.00 0.00 29.99 30.84 2jfk n HIS 755 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jfk s ALA 756 N -3.36 2.93 -0.25 -1.41 0.00 -1.19 -4.35 121.76 114.13 2jfk s ALA 756 Ca 0.48 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.52 2jfk s ALA 756 Cb 0.42 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2jfk s ALA 756 CO 0.01 -1.03 0.11 0.08 0.00 0.00 0.00 175.76 174.92 2jfk s VAL 757 N -1.40 4.68 -0.15 0.00 1.01 0.64 -1.36 120.40 123.82 2jfk s VAL 757 Ca 0.67 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.61 2jfk s VAL 757 Cb -0.35 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2jfk s VAL 757 CO 0.43 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.97 2jfk s VAL 758 N 1.57 2.32 -0.22 2.92 1.01 0.43 -0.64 120.40 127.79 2jfk s VAL 758 Ca 0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2jfk s VAL 758 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2jfk s VAL 758 CO 0.06 0.53 0.02 -0.76 0.00 0.00 0.00 175.10 174.95 2jfk s LEU 759 N 0.88 3.30 -0.28 3.92 1.43 -0.21 -0.05 118.68 127.67 2jfk s LEU 759 Ca -0.05 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2jfk s LEU 759 Cb -0.15 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2jfk s LEU 759 CO -0.02 0.03 0.85 -0.70 0.23 0.00 0.00 176.35 176.74 2jfk s GLU 760 N 1.20 4.08 -0.47 1.70 2.12 0.10 -1.17 118.70 126.26 2jfk s GLU 760 Ca 0.03 0.83 -0.13 0.00 0.36 0.00 0.00 54.97 56.07 2jfk s GLU 760 Cb -0.14 -3.69 0.09 0.00 0.26 0.00 0.00 34.13 30.65 2jfk s GLU 760 CO 0.02 -0.64 0.38 0.42 -0.54 0.00 0.00 175.26 174.89 2jfk s ILE 761 N 3.01 4.80 -0.15 -3.70 1.01 0.25 -3.54 121.20 122.88 2jfk s ILE 761 Ca 0.36 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2jfk s ILE 761 Cb -0.14 -3.98 0.13 0.00 0.01 0.00 0.00 42.46 38.48 2jfk s ILE 761 CO 0.10 -0.66 1.02 0.00 0.00 0.00 0.00 174.94 175.40 2jfk s ALA 762 N 1.53 -1.94 -0.16 9.38 0.00 -1.26 -2.02 121.76 127.29 2jfk s ALA 762 Ca 0.04 1.54 0.28 0.00 0.00 0.00 0.00 51.96 53.82 2jfk s ALA 762 Cb -0.26 -0.60 1.25 0.00 0.00 0.00 0.00 23.12 23.51 2jfk s ALA 762 CO 0.03 -0.36 1.85 -1.00 0.00 0.00 0.00 175.76 176.28 2jfk h PRO 763 N 2.43 0.00 -2.94 0.00 0.13 -1.88 -3.36 132.00 126.38 2jfk h PRO 763 Ca -0.18 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.77 2jfk h PRO 763 Cb 1.17 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 2jfk h PRO 763 CO 0.30 0.00 -0.46 -1.58 -0.23 0.00 0.00 178.00 176.03 2jfk s HIS 764 N -3.53 -0.39 -1.23 1.56 5.65 -1.24 -4.14 115.29 111.98 2jfk s HIS 764 Ca 0.02 0.89 -0.18 0.00 0.25 0.00 0.00 55.06 56.03 2jfk s HIS 764 Cb 0.09 0.07 -0.01 0.00 -1.18 0.00 0.00 32.58 31.55 2jfk s HIS 764 CO 0.42 -0.27 1.97 0.00 -0.65 0.00 0.00 174.74 176.21 2jfk n ALA 765 N 4.36 3.86 0.09 1.58 0.00 -0.86 -4.69 120.51 124.85 2jfk n ALA 765 Ca -0.23 -3.61 -0.05 0.00 0.00 0.00 0.00 53.44 49.55 2jfk n ALA 765 Cb 0.53 -3.57 0.01 0.00 0.00 0.00 0.00 19.45 16.42 2jfk n ALA 765 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfk h LEU 766 N 12.86 0.06 -0.20 0.00 5.85 -1.96 -3.21 115.31 128.71 2jfk h LEU 766 Ca 0.44 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2jfk h LEU 766 Cb 0.77 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2jfk h LEU 766 CO 1.66 0.86 -0.04 0.18 -0.34 0.00 0.00 178.44 180.77 2jfk n LEU 767 N -3.58 0.35 -0.23 2.25 4.77 -1.26 -4.36 117.00 114.93 2jfk n LEU 767 Ca -0.01 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2jfk n LEU 767 Cb 0.79 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2jfk n LEU 767 CO 0.45 0.06 0.66 1.56 -1.33 0.00 0.00 177.39 178.79 2jfk h GLN 768 N 0.48 -0.10 0.04 3.23 1.08 -1.96 0.52 115.11 118.41 2jfk h GLN 768 Ca 0.00 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jfk h GLN 768 Cb 0.24 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2jfk h GLN 768 CO 0.00 -0.06 -0.02 0.00 -0.95 0.00 0.00 178.83 177.80 2jfk h ALA 769 N 1.27 -0.06 -0.66 3.87 0.00 -1.87 0.28 119.26 122.09 2jfk h ALA 769 Ca 0.28 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2jfk h ALA 769 Cb 0.55 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2jfk h ALA 769 CO -0.72 -0.43 0.21 0.28 0.00 0.00 0.00 179.25 178.58 2jfk h VAL 770 N -0.26 0.67 -0.53 0.00 2.07 -1.58 -2.36 116.25 114.26 2jfk h VAL 770 Ca -0.01 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2jfk h VAL 770 Cb 0.23 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2jfk h VAL 770 CO 0.01 0.06 0.23 -0.07 0.02 0.00 0.00 177.57 177.82 2jfk h LEU 771 N 0.35 0.72 -0.32 2.57 3.38 0.52 0.95 115.31 123.48 2jfk h LEU 771 Ca 0.35 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2jfk h LEU 771 Cb 0.51 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2jfk h LEU 771 CO -0.39 0.68 -0.06 0.11 0.09 0.00 0.00 178.44 178.87 2jfk h LYS 772 N 0.72 0.02 -0.57 1.13 1.57 -0.54 -1.66 116.57 117.23 2jfk h LYS 772 Ca 0.18 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2jfk h LYS 772 Cb 0.17 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2jfk h LYS 772 CO -0.02 0.01 0.16 0.00 -0.57 0.00 0.00 179.45 179.03 2jfk h ARG 773 N 0.02 0.90 -0.00 3.15 3.08 -1.09 -3.18 114.38 117.26 2jfk h ARG 773 Ca 0.16 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jfk h ARG 773 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2jfk h ARG 773 CO -0.32 0.83 -0.02 0.41 -1.07 0.00 0.00 179.97 179.80 2jfk n GLY 774 N -0.66 -0.81 3.46 0.04 0.00 0.30 -4.83 105.19 102.68 2jfk n GLY 774 Ca 0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2jfk n GLY 774 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 775 N -2.14 1.07 0.44 0.99 1.43 -0.66 -4.67 118.68 115.15 2jfk s LEU 775 Ca 0.41 -1.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2jfk s LEU 775 Cb 0.21 1.36 -0.05 0.00 0.03 0.00 0.00 46.19 47.74 2jfk s LEU 775 CO 0.39 -1.26 0.12 -0.54 0.23 0.00 0.00 176.35 175.29 2jfk s LYS 776 N -3.15 2.14 0.00 1.70 3.01 -1.26 -4.71 119.74 117.48 2jfk s LYS 776 Ca 0.31 -2.03 0.13 0.00 -1.01 0.00 0.00 55.97 53.38 2jfk s LYS 776 Cb 0.00 -1.82 0.73 0.00 -1.01 0.00 0.00 37.83 35.73 2jfk s LYS 776 CO 0.20 -0.18 1.29 -2.30 0.51 0.00 0.00 175.35 174.87 2jfk n PRO 777 N -1.21 0.30 0.06 -1.68 -0.02 -1.26 -1.51 135.00 129.68 2jfk n PRO 777 Ca -0.05 0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 2jfk n PRO 777 Cb 0.66 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.49 2jfk n PRO 777 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jfk h SER 778 N 0.00 0.53 -3.93 2.55 4.64 -1.95 -3.47 113.55 111.92 2jfk h SER 778 Ca 0.00 -0.94 -0.53 0.00 -0.47 0.00 0.00 61.79 59.85 2jfk h SER 778 Cb 0.06 -0.17 0.08 0.00 -0.31 0.00 0.00 62.40 62.06 2jfk h SER 778 CO 0.00 1.46 0.63 0.00 -0.87 0.00 0.00 176.83 178.06 2jfk s THR 780 N -1.22 4.57 -0.19 0.00 2.01 -0.47 -4.83 115.64 115.52 2jfk s THR 780 Ca 0.54 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 2jfk s THR 780 Cb -0.39 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 2jfk s THR 780 CO 0.51 0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.14 2jfk s ILE 781 N 0.70 3.00 -0.15 1.82 1.01 -1.26 -0.42 121.20 125.89 2jfk s ILE 781 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2jfk s ILE 781 Cb -0.13 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.03 2jfk s ILE 781 CO 0.02 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.60 2jfk s ILE 782 N 1.14 1.95 0.37 2.92 1.01 0.92 -4.97 121.20 124.55 2jfk s ILE 782 Ca 0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2jfk s ILE 782 Cb -0.14 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2jfk s ILE 782 CO -0.03 0.53 0.65 -2.16 0.00 0.00 0.00 174.94 173.93 2jfk s PRO 783 N 1.03 3.61 -0.06 2.79 0.04 -1.26 -0.72 135.00 140.43 2jfk s PRO 783 Ca -0.02 0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.15 2jfk s PRO 783 Cb -0.14 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2jfk s PRO 783 CO -0.06 0.04 0.03 1.28 0.04 0.00 0.00 177.00 178.34 2jfk n LEU 784 N -1.52 0.00 -4.05 -3.56 4.77 -1.23 -4.66 117.00 106.76 2jfk n LEU 784 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 2jfk n LEU 784 Cb 0.55 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.68 2jfk n LEU 784 CO 0.49 0.15 -0.36 -0.04 -1.33 0.00 0.00 177.39 176.31 2jfk s MET 785 N -2.19 0.49 -0.03 3.23 -1.94 -1.26 -3.47 119.30 114.13 2jfk s MET 785 Ca -0.03 -0.96 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 2jfk s MET 785 Cb 0.02 0.16 -0.00 0.00 2.01 0.00 0.00 34.83 37.02 2jfk s MET 785 CO 0.28 -0.08 -0.11 0.21 -0.01 0.00 0.00 175.02 175.30 2jfk s LYS 786 N -2.87 1.16 0.10 2.03 2.47 -1.26 -2.04 119.74 119.33 2jfk s LYS 786 Ca -0.03 -0.40 -0.34 0.00 -1.56 0.00 0.00 55.97 53.65 2jfk s LYS 786 Cb 0.00 -1.06 -0.13 0.00 -1.46 0.00 0.00 37.83 35.18 2jfk s LYS 786 CO -0.06 0.17 1.64 0.36 0.16 0.00 0.00 175.35 177.62 2jfk n LYS 787 N 3.18 2.14 -1.67 4.03 0.00 -1.26 -2.49 118.16 122.09 2jfk n LYS 787 Ca -0.18 0.78 -0.20 0.00 -0.00 0.00 0.00 58.31 58.71 2jfk n LYS 787 Cb 0.54 -2.56 -0.08 0.00 -0.00 0.00 0.00 35.03 32.93 2jfk n LYS 787 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jfk n ASP 788 N 4.14 -5.47 -4.77 -5.58 8.00 -1.26 -4.94 116.55 106.66 2jfk n ASP 788 Ca 0.18 0.45 -0.41 0.00 0.71 0.00 0.00 54.79 55.72 2jfk n ASP 788 Cb 0.29 -4.72 0.01 0.00 -0.02 0.00 0.00 41.12 36.68 2jfk n ASP 788 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2jfk n HIS 789 N -2.58 2.91 -0.25 1.24 -0.00 -1.04 -4.88 115.22 110.62 2jfk n HIS 789 Ca -0.21 0.44 0.15 0.00 0.46 0.00 0.00 57.72 58.57 2jfk n HIS 789 Cb 0.67 -2.51 0.44 0.00 -0.12 0.00 0.00 29.99 28.46 2jfk n HIS 789 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2jfk h ARG 790 N 2.74 0.54 -1.10 1.57 -0.00 -1.92 -3.39 114.38 112.82 2jfk h ARG 790 Ca -0.51 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.98 59.39 2jfk h ARG 790 Cb 1.25 -0.12 -0.21 0.00 -0.00 0.00 0.00 29.97 30.89 2jfk h ARG 790 CO 0.63 0.36 -0.44 0.34 -0.00 0.00 0.00 179.97 180.85 2jfk s ASP 791 N -5.74 -1.30 0.15 0.08 3.68 -1.26 -5.02 116.67 107.26 2jfk s ASP 791 Ca -0.09 -0.43 0.22 0.00 2.13 0.00 0.00 52.55 54.38 2jfk s ASP 791 Cb 0.22 1.86 0.88 0.00 -1.45 0.00 0.00 42.92 44.44 2jfk s ASP 791 CO 0.78 -0.24 1.68 0.59 0.13 0.00 0.00 175.17 178.12 2jfk n ASN 792 N 4.85 0.45 -0.07 -0.34 3.02 -1.26 -2.19 115.26 119.72 2jfk n ASN 792 Ca 0.08 0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 55.07 2jfk n ASN 792 Cb 0.55 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 2jfk n ASN 792 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jfk h LEU 793 N 0.00 0.86 -0.43 3.41 5.85 -1.94 0.22 115.31 123.29 2jfk h LEU 793 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2jfk h LEU 793 Cb 0.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2jfk h LEU 793 CO 0.00 1.25 0.27 -0.08 -0.34 0.00 0.00 178.44 179.54 2jfk h GLU 794 N 0.51 0.58 -0.38 1.25 4.81 -1.84 -1.19 114.58 118.32 2jfk h GLU 794 Ca 0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2jfk h GLU 794 Cb 1.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2jfk h GLU 794 CO 0.11 0.41 -0.08 0.35 -0.73 0.00 0.00 179.01 179.07 2jfk h PHE 795 N 0.57 0.82 -0.09 0.92 3.04 -1.38 -0.41 116.94 120.41 2jfk h PHE 795 Ca 0.16 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2jfk h PHE 795 Cb -0.03 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 2jfk h PHE 795 CO -0.04 0.87 0.06 0.35 -2.02 0.00 0.00 178.31 177.53 2jfk h PHE 796 N 0.54 0.12 -0.75 0.41 3.57 -0.51 -2.20 116.94 118.12 2jfk h PHE 796 Ca 0.10 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2jfk h PHE 796 Cb 0.59 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2jfk h PHE 796 CO 0.05 0.09 0.30 -0.07 -2.23 0.00 0.00 178.31 176.44 2jfk h LEU 797 N 0.12 1.03 -1.01 0.59 3.38 -1.06 -0.57 115.31 117.79 2jfk h LEU 797 Ca 0.03 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.94 2jfk h LEU 797 Cb -0.00 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 2jfk h LEU 797 CO -0.01 0.92 0.64 0.00 0.09 0.00 0.00 178.44 180.08 2jfk h ALA 798 N 1.15 1.49 -0.36 1.53 0.00 -0.94 0.29 119.26 122.42 2jfk h ALA 798 Ca 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2jfk h ALA 798 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jfk h ALA 798 CO -0.02 0.27 0.04 0.78 0.00 0.00 0.00 179.25 180.32 2jfk h GLY 799 N 1.03 0.66 1.15 0.00 0.00 -0.64 -1.73 103.07 103.54 2jfk h GLY 799 Ca 0.49 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2jfk h GLY 799 CO -0.25 0.42 0.43 -2.22 0.00 0.00 0.00 176.54 174.92 2jfk h ILE 800 N 0.44 1.24 -0.98 2.60 1.08 -0.57 -1.69 117.51 119.62 2jfk h ILE 800 Ca 0.11 -0.60 0.12 0.00 -0.39 0.00 0.00 64.86 64.10 2jfk h ILE 800 Cb 0.40 0.16 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 2jfk h ILE 800 CO 0.01 0.27 0.62 1.23 -0.69 0.00 0.00 178.15 179.59 2jfk h GLY 801 N 1.15 1.56 2.00 5.37 0.00 0.03 -1.66 103.07 111.52 2jfk h GLY 801 Ca 0.28 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2jfk h GLY 801 CO -0.04 0.15 -0.16 3.21 0.00 0.00 0.00 176.54 179.70 2jfk h ARG 802 N 0.94 0.00 -0.56 4.80 3.08 -0.43 -2.38 114.38 119.84 2jfk h ARG 802 Ca 0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.53 2jfk h ARG 802 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2jfk h ARG 802 CO -0.25 0.16 0.31 -0.07 -1.07 0.00 0.00 179.97 179.05 2jfk h LEU 803 N 0.00 0.69 0.30 3.04 3.38 -0.92 -1.68 115.31 120.12 2jfk h LEU 803 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jfk h LEU 803 Cb 0.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2jfk h LEU 803 CO 0.02 0.58 -0.28 -0.74 0.09 0.00 0.00 178.44 178.11 2jfk h HIS 804 N 0.75 -0.76 -0.59 1.13 2.76 -1.34 0.12 115.15 117.23 2jfk h HIS 804 Ca 0.20 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.54 2jfk h HIS 804 Cb 0.04 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2jfk h HIS 804 CO -0.02 -0.41 0.43 -0.07 -1.30 0.00 0.00 177.93 176.56 2jfk h LEU 805 N -0.61 0.00 -2.16 0.26 3.38 -1.34 0.45 115.31 115.29 2jfk h LEU 805 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jfk h LEU 805 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jfk h LEU 805 CO -0.05 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.94 2jfk n SER 806 N -4.33 3.18 0.00 -0.43 3.41 -0.65 -4.63 113.62 110.17 2jfk n SER 806 Ca 0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2jfk n SER 806 Cb 0.67 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2jfk n SER 806 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jfk n GLY 807 N 1.45 0.68 3.82 5.00 0.00 0.15 -4.88 105.19 111.40 2jfk n GLY 807 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2jfk n GLY 807 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jfk s ILE 808 N -2.10 5.05 -0.52 -0.61 -1.09 0.38 -4.95 121.20 117.37 2jfk s ILE 808 Ca 0.00 0.85 -0.22 0.00 -2.23 0.00 0.00 60.65 59.06 2jfk s ILE 808 Cb 0.00 -3.73 0.05 0.00 -1.58 0.00 0.00 42.46 37.20 2jfk s ILE 808 CO 0.00 0.54 0.78 1.51 -1.23 0.00 0.00 174.94 176.53 2jfk s ASP 809 N -0.78 6.30 -0.30 3.58 -4.77 -1.26 -3.53 116.67 115.91 2jfk s ASP 809 Ca 0.24 -0.56 -0.03 0.00 -3.30 0.00 0.00 52.55 48.90 2jfk s ASP 809 Cb -0.16 -2.36 0.10 0.00 -1.09 0.00 0.00 42.92 39.40 2jfk s ASP 809 CO 0.13 -1.03 0.12 0.00 0.70 0.00 0.00 175.17 175.09 2jfk s ALA 810 N 3.27 0.93 -0.35 2.11 0.00 -1.26 -4.88 121.76 121.58 2jfk s ALA 810 Ca 0.23 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 2jfk s ALA 810 Cb -0.15 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2jfk s ALA 810 CO 0.16 -1.66 0.75 1.21 0.00 0.00 0.00 175.76 176.23 2jfk s ASN 811 N 1.92 6.55 0.14 0.00 3.84 -1.26 -4.89 114.94 121.24 2jfk s ASN 811 Ca 0.09 0.37 0.19 0.00 0.21 0.00 0.00 52.86 53.73 2jfk s ASN 811 Cb -0.17 -2.38 0.82 0.00 -0.55 0.00 0.00 41.25 38.97 2jfk s ASN 811 CO -0.33 -0.68 1.60 -0.81 -2.79 0.00 0.00 177.10 174.09 2jfk n PRO 812 N 6.31 0.11 -0.20 0.43 -0.04 -1.26 -2.96 135.00 137.38 2jfk n PRO 812 Ca 0.02 0.35 0.17 0.00 -0.04 0.00 0.00 63.50 64.00 2jfk n PRO 812 Cb 0.48 -1.71 0.51 0.00 -0.04 0.00 0.00 33.50 32.74 2jfk n PRO 812 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2jfk h ASN 813 N 0.00 0.40 -0.50 3.54 2.35 -1.91 0.12 115.58 119.58 2jfk h ASN 813 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2jfk h ASN 813 Cb 0.31 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2jfk h ASN 813 CO 0.00 0.19 0.33 0.00 -1.65 0.00 0.00 177.43 176.29 2jfk h ALA 814 N 1.63 1.64 0.00 -0.83 0.00 -1.84 -2.52 119.26 117.34 2jfk h ALA 814 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jfk h ALA 814 Cb 0.99 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jfk h ALA 814 CO -0.14 0.33 -0.00 -0.07 0.00 0.00 0.00 179.25 179.37 2jfk h LEU 815 N 0.67 0.00 -9.42 0.00 3.38 -1.21 -3.45 115.31 105.29 2jfk h LEU 815 Ca 0.18 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.56 2jfk h LEU 815 Cb -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.56 2jfk h LEU 815 CO -0.04 0.00 -0.69 -0.36 0.09 0.00 0.00 178.44 177.44 2jfk s PHE 816 N -3.84 2.48 0.52 1.13 0.40 -0.95 -4.43 117.98 113.29 2jfk s PHE 816 Ca -0.01 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 2jfk s PHE 816 Cb 0.10 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.38 2jfk s PHE 816 CO 0.50 0.63 1.38 -2.30 0.70 0.00 0.00 175.22 176.12 2jfk n PRO 817 N -0.79 1.85 -1.26 0.24 -0.02 -1.26 -4.96 135.00 128.80 2jfk n PRO 817 Ca -0.05 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2jfk n PRO 817 Cb 0.60 -2.59 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2jfk n PRO 817 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfk s PRO 818 N -2.75 2.20 0.00 0.52 0.04 -1.26 -5.07 135.00 128.67 2jfk s PRO 818 Ca 0.69 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2jfk s PRO 818 Cb -0.43 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2jfk s PRO 818 CO 0.52 -1.70 0.15 0.28 0.04 0.00 0.00 177.00 176.29