#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfk s SER 420 N 0.00 3.89 0.04 2.61 1.04 -1.26 -5.11 113.70 114.91 2jfk s SER 420 Ca 0.00 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 2jfk s SER 420 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 2jfk s SER 420 CO 0.00 0.07 0.97 -0.32 0.98 0.00 0.00 173.24 174.94 2jfk s MET 421 N 0.94 4.61 0.10 4.02 0.00 -1.26 -4.80 119.30 122.91 2jfk s MET 421 Ca -0.02 1.43 0.01 0.00 0.00 0.00 0.00 55.69 57.11 2jfk s MET 421 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 34.83 31.21 2jfk s MET 421 CO -0.01 0.05 -0.05 1.03 0.00 0.00 0.00 175.02 176.05 2jfk s ARG 422 N 0.62 0.82 -0.16 4.11 1.81 -0.91 -5.01 118.95 120.23 2jfk s ARG 422 Ca 0.50 -1.34 -0.12 0.00 -1.72 0.00 0.00 55.73 53.05 2jfk s ARG 422 Cb -0.22 -0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.12 2jfk s ARG 422 CO 0.29 -0.06 0.24 -1.17 -0.68 0.00 0.00 175.30 173.92 2jfk s LEU 423 N -3.03 4.25 -0.18 2.53 2.96 -1.26 -0.60 118.68 123.35 2jfk s LEU 423 Ca 0.13 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2jfk s LEU 423 Cb 0.06 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2jfk s LEU 423 CO -0.05 0.15 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.83 2jfk s LEU 424 N 0.29 2.82 -0.02 -0.68 2.96 -0.14 -4.88 118.68 119.03 2jfk s LEU 424 Ca 0.14 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2jfk s LEU 424 Cb -0.12 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2jfk s LEU 424 CO 0.02 0.07 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2jfk s ARG 425 N 0.96 2.74 0.08 1.98 1.70 -1.26 -1.11 118.95 124.03 2jfk s ARG 425 Ca -0.01 -0.61 0.03 0.00 -0.47 0.00 0.00 55.73 54.68 2jfk s ARG 425 Cb -0.15 -2.62 -0.03 0.00 -0.57 0.00 0.00 34.95 31.58 2jfk s ARG 425 CO -0.00 0.64 -0.10 0.00 -1.08 0.00 0.00 175.30 174.75 2jfk s ALA 426 N -0.99 0.96 -0.04 7.88 0.00 0.22 -4.55 121.76 125.24 2jfk s ALA 426 Ca 0.17 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2jfk s ALA 426 Cb -0.11 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2jfk s ALA 426 CO 0.07 -0.00 -0.04 -1.12 0.00 0.00 0.00 175.76 174.67 2jfk s SER 427 N -2.08 0.89 0.25 0.00 0.01 -1.26 -0.96 113.70 110.54 2jfk s SER 427 Ca -0.00 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2jfk s SER 427 Cb -0.06 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 2jfk s SER 427 CO 0.00 -0.06 0.15 -0.83 0.41 0.00 0.00 173.24 172.91 2jfk s GLY 428 N 0.96 1.72 -0.17 3.44 0.00 0.45 -4.88 107.32 108.84 2jfk s GLY 428 Ca -0.11 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.83 2jfk s GLY 428 CO -0.00 -1.47 0.17 0.54 0.00 0.00 0.00 173.10 172.33 2jfk n ARG 429 N -0.40 0.70 -4.42 2.90 3.00 -1.26 -1.83 116.66 115.35 2jfk n ARG 429 Ca 0.02 0.20 -0.21 0.00 -0.01 0.00 0.00 57.85 57.85 2jfk n ARG 429 Cb 0.65 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 31.37 2jfk n ARG 429 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jfk s THR 430 N -2.54 1.85 0.45 0.55 -4.23 -1.26 -4.73 115.64 105.73 2jfk s THR 430 Ca -0.24 -2.20 0.12 0.00 -1.18 0.00 0.00 61.69 58.19 2jfk s THR 430 Cb 0.08 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.89 2jfk s THR 430 CO 0.72 -0.40 2.07 -0.65 -0.54 0.00 0.00 174.62 175.82 2jfk h PRO 431 N 2.34 0.33 -0.68 3.99 0.11 -1.97 -1.64 132.00 134.50 2jfk h PRO 431 Ca -0.40 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 2jfk h PRO 431 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2jfk h PRO 431 CO 0.65 0.22 0.17 0.93 -0.21 0.00 0.00 178.00 179.75 2jfk h GLU 432 N 0.34 1.07 0.38 1.05 3.07 -1.99 0.12 114.58 118.62 2jfk h GLU 432 Ca 0.14 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2jfk h GLU 432 Cb 0.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2jfk h GLU 432 CO -0.03 0.94 -0.28 0.00 -1.40 0.00 0.00 179.01 178.24 2jfk h ALA 433 N 1.16 -0.64 -0.25 3.43 0.00 -1.72 -1.67 119.26 119.57 2jfk h ALA 433 Ca 0.21 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2jfk h ALA 433 Cb 0.35 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2jfk h ALA 433 CO 0.00 -0.88 -0.20 0.28 0.00 0.00 0.00 179.25 178.45 2jfk h VAL 434 N -0.65 0.47 -0.58 0.00 2.07 -0.94 -1.07 116.25 115.55 2jfk h VAL 434 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2jfk h VAL 434 Cb 0.56 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 2jfk h VAL 434 CO 0.00 0.00 0.08 1.56 0.02 0.00 0.00 177.57 179.24 2jfk h GLN 435 N -0.20 0.20 -0.29 1.57 1.08 -0.66 -0.29 115.11 116.53 2jfk h GLN 435 Ca 0.14 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2jfk h GLN 435 Cb 0.41 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2jfk h GLN 435 CO -0.36 0.13 0.06 0.87 -0.95 0.00 0.00 178.83 178.58 2jfk h LYS 436 N 0.21 0.42 0.01 1.46 1.79 -0.25 -0.52 116.57 119.69 2jfk h LYS 436 Ca 0.30 -0.06 -0.27 0.00 -2.18 0.00 0.00 60.65 58.44 2jfk h LYS 436 Cb 0.46 -0.07 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2jfk h LYS 436 CO -0.42 0.40 -1.05 1.25 -1.08 0.00 0.00 179.45 178.55 2jfk h LEU 437 N 0.42 0.90 -0.86 2.94 5.85 -0.17 -1.51 115.31 122.87 2jfk h LEU 437 Ca 0.10 -0.73 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 2jfk h LEU 437 Cb 0.19 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2jfk h LEU 437 CO -0.00 1.53 0.34 -0.07 -0.34 0.00 0.00 178.44 179.89 2jfk h LEU 438 N 0.38 1.07 -0.53 2.25 3.38 -0.74 -1.64 115.31 119.49 2jfk h LEU 438 Ca -0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jfk h LEU 438 Cb 1.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2jfk h LEU 438 CO 0.21 0.93 0.25 -0.08 0.09 0.00 0.00 178.44 179.84 2jfk h GLU 439 N 1.14 0.76 -0.36 1.13 4.57 -1.03 0.14 114.58 120.93 2jfk h GLU 439 Ca 0.27 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2jfk h GLU 439 Cb 0.18 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2jfk h GLU 439 CO -0.03 0.63 0.01 1.96 -1.18 0.00 0.00 179.01 180.41 2jfk h GLN 440 N 0.70 0.56 -0.56 1.92 1.08 -0.77 0.15 115.11 118.19 2jfk h GLN 440 Ca 0.18 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 2jfk h GLN 440 Cb 0.12 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2jfk h GLN 440 CO -0.02 0.57 -0.08 0.78 -0.95 0.00 0.00 178.83 179.14 2jfk h GLY 441 N 0.85 1.12 1.01 3.46 0.00 -1.02 -2.39 103.07 106.10 2jfk h GLY 441 Ca 0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2jfk h GLY 441 CO 0.01 0.80 0.42 -2.00 0.00 0.00 0.00 176.54 175.77 2jfk h LEU 442 N 0.93 0.93 -0.16 3.11 5.85 0.41 -0.32 115.31 126.06 2jfk h LEU 442 Ca 0.15 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jfk h LEU 442 Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jfk h LEU 442 CO 0.04 0.76 0.00 0.54 -0.34 0.00 0.00 178.44 179.44 2jfk n ARG 443 N -4.46 0.06 -1.66 1.25 5.12 0.40 -2.54 116.66 114.84 2jfk n ARG 443 Ca 0.07 0.24 -0.04 0.00 -1.93 0.00 0.00 57.85 56.18 2jfk n ARG 443 Cb 0.09 -1.61 0.08 0.00 -1.16 0.00 0.00 32.46 29.86 2jfk n ARG 443 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jfk n HIS 444 N -1.72 1.07 -0.29 -1.55 8.25 -0.83 -4.88 115.22 115.25 2jfk n HIS 444 Ca 0.04 -1.64 0.30 0.00 -0.26 0.00 0.00 57.72 56.16 2jfk n HIS 444 Cb 0.23 -0.25 0.66 0.00 1.12 0.00 0.00 29.99 31.76 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 1.68 0.15 0.11 0.41 0.02 -0.79 -0.30 113.55 114.84 2jfk h SER 445 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jfk h SER 445 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2jfk h SER 445 CO 0.28 0.03 -0.19 1.67 -1.14 0.00 0.00 176.83 177.48 2jfk n GLN 446 N -4.35 1.23 -3.02 3.45 -0.06 -1.26 -4.65 117.38 108.71 2jfk n GLN 446 Ca 0.24 -0.80 -0.44 0.00 -2.00 0.00 0.00 57.00 54.00 2jfk n GLN 446 Cb 1.07 -1.48 -0.03 0.00 -4.06 0.00 0.00 30.24 25.73 2jfk n GLN 446 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2jfk s ASP 447 N -2.32 6.45 0.14 1.69 -1.08 -0.12 -4.89 116.67 116.53 2jfk s ASP 447 Ca 0.28 -1.80 -0.10 0.00 -0.52 0.00 0.00 52.55 50.41 2jfk s ASP 447 Cb 0.20 -2.35 -0.06 0.00 -1.46 0.00 0.00 42.92 39.25 2jfk s ASP 447 CO 0.46 -1.07 1.41 -0.07 0.52 0.00 0.00 175.17 176.42 2jfk h LEU 448 N 10.07 0.92 -1.16 -1.34 3.38 -1.84 -1.34 115.31 124.01 2jfk h LEU 448 Ca -0.05 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2jfk h LEU 448 Cb 1.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2jfk h LEU 448 CO 1.07 1.29 0.57 0.00 0.09 0.00 0.00 178.44 181.46 2jfk h ALA 449 N 0.72 1.46 0.02 1.53 0.00 -1.92 0.24 119.26 121.31 2jfk h ALA 449 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jfk h ALA 449 Cb 1.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jfk h ALA 449 CO 0.12 0.45 -0.01 0.35 0.00 0.00 0.00 179.25 180.16 2jfk h PHE 450 N 1.08 -0.03 -0.70 0.00 3.57 -1.85 -2.44 116.94 116.57 2jfk h PHE 450 Ca 0.35 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2jfk h PHE 450 Cb 0.04 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2jfk h PHE 450 CO -0.00 0.31 0.29 -0.07 -2.23 0.00 0.00 178.31 176.61 2jfk h LEU 451 N -0.37 0.94 -0.76 0.59 3.38 -0.76 -1.11 115.31 117.22 2jfk h LEU 451 Ca -0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jfk h LEU 451 Cb 0.35 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2jfk h LEU 451 CO 0.01 0.83 0.45 -1.28 0.09 0.00 0.00 178.44 178.54 2jfk h SER 452 N 1.01 0.70 -0.37 -0.43 0.87 -0.54 -1.41 113.55 113.38 2jfk h SER 452 Ca 0.24 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2jfk h SER 452 Cb 0.18 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2jfk h SER 452 CO -0.02 0.45 -0.16 -0.03 -0.53 0.00 0.00 176.83 176.54 2jfk h MET 453 N 0.84 0.76 -0.46 2.24 -1.53 -0.82 -2.11 114.93 113.85 2jfk h MET 453 Ca 0.34 -0.33 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2jfk h MET 453 Cb 0.17 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 2jfk h MET 453 CO -0.17 0.94 0.29 -0.07 0.14 0.00 0.00 176.91 178.04 2jfk h LEU 454 N 0.55 0.53 -0.07 3.39 3.38 -0.95 -2.52 115.31 119.63 2jfk h LEU 454 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jfk h LEU 454 Cb 0.70 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jfk h LEU 454 CO 0.05 0.40 -0.12 0.78 0.09 0.00 0.00 178.44 179.64 2jfk h ASN 455 N 0.62 0.22 -0.99 -0.43 2.35 -0.85 -2.75 115.58 113.76 2jfk h ASN 455 Ca 0.17 -0.56 0.22 0.00 -0.55 0.00 0.00 56.30 55.58 2jfk h ASN 455 Cb -0.05 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.16 2jfk h ASN 455 CO -0.03 0.74 0.62 0.44 -1.65 0.00 0.00 177.43 177.55 2jfk h ASP 456 N -0.28 0.60 -0.19 5.81 3.45 -1.28 -2.18 116.42 122.34 2jfk h ASP 456 Ca 0.00 0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.45 2jfk h ASP 456 Cb 0.70 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 2jfk h ASP 456 CO 0.03 0.19 -0.19 0.40 -1.57 0.00 0.00 179.24 178.10 2jfk h ILE 457 N 0.57 1.26 0.00 0.35 2.04 -1.24 -3.23 117.51 117.26 2jfk h ILE 457 Ca 0.56 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2jfk h ILE 457 Cb 1.14 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2jfk h ILE 457 CO -0.32 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2jfk h ALA 458 N 1.24 1.00 -0.17 1.87 0.00 -1.10 -3.36 119.26 118.74 2jfk h ALA 458 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.51 2jfk h ALA 458 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.45 2jfk h ALA 458 CO 0.04 0.00 1.59 0.00 0.00 0.00 0.00 179.25 180.89 2jfk n ALA 459 N -2.01 2.25 -3.77 0.00 0.00 -1.22 -4.65 120.51 111.10 2jfk n ALA 459 Ca -0.02 -3.06 -0.24 0.00 0.00 0.00 0.00 53.44 50.12 2jfk n ALA 459 Cb 0.10 -3.58 -0.17 0.00 0.00 0.00 0.00 19.45 15.80 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 8.25 0.45 0.50 0.00 1.01 -1.26 -5.13 120.40 124.21 2jfk s VAL 460 Ca 0.64 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 2jfk s VAL 460 Cb 0.08 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 2jfk s VAL 460 CO 0.16 0.14 0.92 -0.81 0.00 0.00 0.00 175.10 175.51 2jfk n PRO 461 N 5.11 1.08 -0.30 2.72 -0.04 -1.26 -4.54 135.00 137.77 2jfk n PRO 461 Ca -0.08 0.40 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 2jfk n PRO 461 Cb 0.49 -2.02 0.31 0.00 -0.04 0.00 0.00 33.50 32.24 2jfk n PRO 461 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jfk h ALA 462 N 1.03 1.68 -0.95 0.55 0.00 -1.92 0.63 119.26 120.28 2jfk h ALA 462 Ca -0.46 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2jfk h ALA 462 Cb 1.36 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2jfk h ALA 462 CO 0.53 0.09 -0.43 2.41 0.00 0.00 0.00 179.25 181.86 2jfk n THR 463 N -4.57 -0.55 -0.03 0.00 -1.04 -1.26 -2.29 114.28 104.54 2jfk n THR 463 Ca 0.17 2.25 -0.16 0.00 -2.04 0.00 0.00 64.05 64.27 2jfk n THR 463 Cb 0.38 -2.91 -0.13 0.00 -1.82 0.00 0.00 70.33 65.85 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 1.06 -0.02 -3.22 2.41 0.00 -1.41 -3.43 119.26 114.64 2jfk h ALA 464 Ca 0.28 -0.55 -0.60 0.00 0.00 0.00 0.00 54.91 54.04 2jfk h ALA 464 Cb 0.51 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.93 2jfk h ALA 464 CO -0.93 0.11 -0.75 -1.64 0.00 0.00 0.00 179.25 176.05 2jfk s MET 465 N -2.42 0.93 0.00 0.00 -1.94 0.04 -5.01 119.30 110.90 2jfk s MET 465 Ca -0.17 -1.35 0.31 0.00 -1.71 0.00 0.00 55.69 52.77 2jfk s MET 465 Cb -0.01 -2.25 1.73 0.00 2.01 0.00 0.00 34.83 36.31 2jfk s MET 465 CO 0.74 -1.01 2.15 -0.35 -0.01 0.00 0.00 175.02 176.54 2jfk n PRO 466 N 4.55 0.75 -5.02 2.03 -0.04 -0.97 -4.11 135.00 132.18 2jfk n PRO 466 Ca 0.01 -0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2jfk n PRO 466 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 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 2.63 0.11 0.54 0.08 -0.76 -0.47 117.98 117.85 2jfk s PHE 467 Ca 0.39 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2jfk s PHE 467 Cb 0.21 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2jfk s PHE 467 CO 0.41 -0.14 -0.13 1.03 -0.10 0.00 0.00 175.22 176.29 2jfk s ARG 468 N -0.09 0.97 0.20 0.44 0.52 -0.20 0.17 118.95 120.96 2jfk s ARG 468 Ca -0.04 -1.21 -0.13 0.00 -0.52 0.00 0.00 55.73 53.83 2jfk s ARG 468 Cb -0.14 -0.80 0.00 0.00 0.52 0.00 0.00 34.95 34.53 2jfk s ARG 468 CO 0.04 0.15 0.43 0.20 0.02 0.00 0.00 175.30 176.14 2jfk s GLY 469 N -2.44 0.31 0.07 -3.53 0.00 -0.13 -0.35 107.32 101.25 2jfk s GLY 469 Ca 0.08 -0.67 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 2jfk s GLY 469 CO 0.02 -0.57 0.17 -2.52 0.00 0.00 0.00 173.10 170.20 2jfk s TYR 470 N -3.95 0.15 -0.09 1.90 1.13 -0.12 -0.61 117.35 115.76 2jfk s TYR 470 Ca 0.16 -0.53 -0.06 0.00 -1.41 0.00 0.00 57.07 55.23 2jfk s TYR 470 Cb 0.00 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2jfk s TYR 470 CO 0.02 -0.50 0.23 0.00 -2.51 0.00 0.00 175.55 172.79 2jfk s ALA 471 N -3.50 -0.53 -0.48 9.51 0.00 -0.26 -1.51 121.76 124.99 2jfk s ALA 471 Ca 0.02 0.84 -0.20 0.00 0.00 0.00 0.00 51.96 52.62 2jfk s ALA 471 Cb 0.03 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.67 2jfk s ALA 471 CO -0.09 -0.16 0.66 0.08 0.00 0.00 0.00 175.76 176.25 2jfk s VAL 472 N 0.83 4.81 0.05 0.00 1.01 -1.26 -0.97 120.40 124.87 2jfk s VAL 472 Ca -0.06 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2jfk s VAL 472 Cb -0.07 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2jfk s VAL 472 CO -0.05 -0.74 0.88 -0.76 0.00 0.00 0.00 175.10 174.43 2jfk s LEU 473 N 2.84 4.44 0.00 3.92 1.43 0.24 -4.51 118.68 127.03 2jfk s LEU 473 Ca 0.20 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 2jfk s LEU 473 Cb -0.16 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2jfk s LEU 473 CO 0.16 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2jfk n GLY 474 N 2.51 -0.65 0.26 -3.19 0.00 -1.26 -2.13 105.19 100.73 2jfk n GLY 474 Ca 0.01 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.35 -2.72 0.00 -0.02 0.00 -1.26 -4.56 105.19 96.27 2jfk n GLY 475 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.45 0.00 -0.30 1.61 0.00 -1.26 -3.21 120.64 115.03 2jfk n GLU 476 Ca -0.02 0.38 -0.02 0.00 0.00 0.00 0.00 57.16 57.50 2jfk n GLU 476 Cb 0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.64 0.59 -2.90 3.44 1.85 -1.26 -4.73 116.66 112.02 2jfk n ARG 477 Ca 0.00 -0.20 -0.41 0.00 -1.00 0.00 0.00 57.85 56.24 2jfk n ARG 477 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 2jfk n ARG 477 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2jfk s GLY 478 N 2.30 2.15 -0.26 2.89 0.00 -1.20 -4.89 107.32 108.32 2jfk s GLY 478 Ca 0.13 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.62 2jfk s GLY 478 CO 0.00 1.64 1.26 -0.32 0.00 0.00 0.00 173.10 175.67 2jfk s GLY 479 N 1.13 0.04 0.14 0.20 0.00 -1.26 -5.03 107.32 102.55 2jfk s GLY 479 Ca 0.38 2.80 -0.27 0.00 0.00 0.00 0.00 44.72 47.64 2jfk s GLY 479 CO 0.13 1.39 0.84 2.56 0.00 0.00 0.00 173.10 178.02 2jfk s PRO 480 N -0.62 4.63 -0.14 2.90 0.04 -1.26 -4.64 135.00 135.91 2jfk s PRO 480 Ca 0.05 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 2jfk s PRO 480 Cb -0.02 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2jfk s PRO 480 CO -0.07 0.41 -0.06 -1.21 0.04 0.00 0.00 177.00 176.11 2jfk s GLU 481 N -0.63 3.50 0.03 4.56 0.41 -0.57 -4.99 118.70 121.01 2jfk s GLU 481 Ca 0.40 -0.55 0.05 0.00 -0.41 0.00 0.00 54.97 54.46 2jfk s GLU 481 Cb -0.23 -2.82 -0.02 0.00 -1.78 0.00 0.00 34.13 29.28 2jfk s GLU 481 CO 0.27 0.30 -0.15 0.08 -0.49 0.00 0.00 175.26 175.27 2jfk s VAL 482 N 0.18 1.22 -0.25 2.63 1.01 -1.26 -0.95 120.40 122.99 2jfk s VAL 482 Ca -0.03 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 2jfk s VAL 482 Cb -0.14 -1.08 0.13 0.00 0.00 0.00 0.00 36.38 35.29 2jfk s VAL 482 CO 0.03 0.12 1.08 -1.58 0.00 0.00 0.00 175.10 174.75 2jfk s GLN 483 N -0.96 0.46 0.08 2.72 0.74 0.53 -4.99 119.66 118.23 2jfk s GLN 483 Ca 0.04 0.40 -0.31 0.00 0.05 0.00 0.00 55.36 55.53 2jfk s GLN 483 Cb -0.07 0.22 -0.07 0.00 1.10 0.00 0.00 33.01 34.19 2jfk s GLN 483 CO 0.01 -0.09 1.32 -1.14 -0.55 0.00 0.00 175.29 174.84 2jfk s GLN 484 N -0.19 4.36 -0.15 1.67 2.00 -1.26 -1.03 119.66 125.05 2jfk s GLN 484 Ca 0.03 1.94 -0.13 0.00 -2.00 0.00 0.00 55.36 55.20 2jfk s GLN 484 Cb -0.04 -3.34 -0.05 0.00 0.80 0.00 0.00 33.01 30.39 2jfk s GLN 484 CO -0.05 -0.39 0.26 0.08 -0.50 0.00 0.00 175.29 174.69 2jfk s VAL 485 N 1.29 5.32 0.82 1.34 1.01 0.38 -4.94 120.40 125.62 2jfk s VAL 485 Ca 0.62 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 2jfk s VAL 485 Cb -0.33 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.55 2jfk s VAL 485 CO 0.29 0.43 1.09 -2.16 0.00 0.00 0.00 175.10 174.76 2jfk s PRO 486 N 0.19 1.87 -0.44 2.72 0.04 -1.26 -4.88 135.00 133.24 2jfk s PRO 486 Ca 0.15 0.82 -0.39 0.00 0.04 0.00 0.00 61.00 61.62 2jfk s PRO 486 Cb -0.13 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 2jfk s PRO 486 CO 0.04 -1.82 2.18 0.00 0.04 0.00 0.00 177.00 177.44 2jfk n ALA 487 N -3.59 0.64 -3.33 8.56 0.00 -1.26 -4.76 120.51 116.76 2jfk n ALA 487 Ca 0.07 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 2jfk n ALA 487 Cb 0.55 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2jfk n ALA 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jfk n GLY 488 N 7.00 4.49 2.89 0.00 0.00 -1.26 -4.82 105.19 113.49 2jfk n GLY 488 Ca 0.49 -2.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 2jfk n GLY 488 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jfk s GLU 489 N -1.80 1.25 -0.12 1.61 2.56 -1.26 -5.05 118.70 115.89 2jfk s GLU 489 Ca 0.31 -1.69 0.02 0.00 0.00 0.00 0.00 54.97 53.62 2jfk s GLU 489 Cb -0.04 -2.73 0.01 0.00 2.00 0.00 0.00 34.13 33.37 2jfk s GLU 489 CO -0.04 -0.99 -0.19 1.03 -0.56 0.00 0.00 175.26 174.51 2jfk s ARG 490 N 0.99 2.61 0.32 4.30 0.52 -1.26 -4.99 118.95 121.43 2jfk s ARG 490 Ca 0.12 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.39 2jfk s ARG 490 Cb -0.19 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 2jfk s ARG 490 CO -0.12 -0.01 0.88 -1.25 0.02 0.00 0.00 175.30 174.81 2jfk s PRO 491 N 0.84 4.42 -0.24 3.54 0.04 -1.26 -4.82 135.00 137.52 2jfk s PRO 491 Ca -0.08 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.03 2jfk s PRO 491 Cb -0.15 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2jfk s PRO 491 CO -0.00 0.25 0.07 -1.17 0.04 0.00 0.00 177.00 176.19 2jfk s LEU 492 N -2.27 3.53 -0.02 -3.56 2.96 -1.26 -0.30 118.68 117.76 2jfk s LEU 492 Ca 0.51 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 2jfk s LEU 492 Cb -0.16 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2jfk s LEU 492 CO 0.21 0.00 -0.25 0.26 -1.32 0.00 0.00 176.35 175.25 2jfk s TRP 493 N 1.39 2.27 -0.20 5.38 0.52 -0.25 0.70 118.94 128.75 2jfk s TRP 493 Ca 0.05 -0.45 -0.06 0.00 0.02 0.00 0.00 56.10 55.66 2jfk s TRP 493 Cb -0.15 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2jfk s TRP 493 CO 0.04 -0.06 0.04 -0.06 0.02 0.00 0.00 176.95 176.93 2jfk s PHE 494 N -0.55 3.12 -0.27 -1.98 2.99 -0.53 -1.29 117.98 119.46 2jfk s PHE 494 Ca 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 56.93 56.70 2jfk s PHE 494 Cb -0.10 -2.12 -0.00 0.00 0.00 0.00 0.00 43.02 40.80 2jfk s PHE 494 CO -0.01 -0.12 0.06 0.42 -0.00 0.00 0.00 175.22 175.57 2jfk s ILE 495 N 0.92 3.93 -0.37 0.64 -1.09 -0.81 -1.20 121.20 123.22 2jfk s ILE 495 Ca 0.03 -0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 2jfk s ILE 495 Cb -0.14 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.79 2jfk s ILE 495 CO 0.02 0.18 0.36 0.00 -1.23 0.00 0.00 174.94 174.28 2jfk s SER 497 N 1.74 4.62 0.00 0.00 0.01 -0.78 -1.34 113.70 117.95 2jfk s SER 497 Ca 0.10 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2jfk s SER 497 Cb -0.17 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2jfk s SER 497 CO 0.12 -1.82 0.00 0.61 0.41 0.00 0.00 173.24 172.56 2jfk n GLY 498 N -3.23 1.11 3.87 3.44 0.00 -1.11 -3.37 105.19 105.89 2jfk n GLY 498 Ca 0.08 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 4.16 3.61 0.00 1.61 -1.94 -1.26 -4.19 119.30 121.29 2jfk s MET 499 Ca 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 2jfk s MET 499 Cb 0.00 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.73 2jfk s MET 499 CO 0.00 -0.52 0.00 0.41 -0.01 0.00 0.00 175.02 174.90 2jfk n GLY 500 N -2.65 0.65 0.57 -0.03 0.00 -1.26 -4.93 105.19 97.55 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 0.00 -2.01 2.61 -2.24 -1.26 -4.93 114.28 104.45 2jfk n THR 501 Ca 0.00 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 2jfk n THR 501 Cb 0.00 0.72 0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.03 3.06 -0.11 -0.78 0.00 -1.26 -3.76 119.66 114.78 2jfk s GLN 502 Ca 0.35 1.56 -0.30 0.00 -0.00 0.00 0.00 55.36 56.96 2jfk s GLN 502 Cb 0.21 -1.97 0.11 0.00 0.00 0.00 0.00 33.01 31.35 2jfk s GLN 502 CO 0.34 -1.07 0.88 1.67 0.00 0.00 0.00 175.29 177.10 2jfk s TRP 503 N -1.98 -0.47 -0.02 9.60 1.48 -1.26 -5.04 118.94 121.25 2jfk s TRP 503 Ca 0.71 0.79 -0.30 0.00 -1.06 0.00 0.00 56.10 56.24 2jfk s TRP 503 Cb -0.23 0.44 -0.05 0.00 -1.16 0.00 0.00 33.47 32.46 2jfk s TRP 503 CO 0.34 -0.45 1.41 0.50 -4.06 0.00 0.00 176.95 174.68 2jfk s ARG 504 N -1.23 4.27 0.00 3.25 3.52 -1.26 -1.82 118.95 125.68 2jfk s ARG 504 Ca -0.05 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 2jfk s ARG 504 Cb -0.00 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2jfk s ARG 504 CO 0.04 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 2jfk n GLY 505 N 3.67 0.54 2.41 8.12 0.00 -1.25 -4.92 105.19 113.76 2jfk n GLY 505 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 0.00 -0.88 1.61 2.81 -0.76 -2.07 117.12 115.83 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 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 2.21 0.54 0.23 3.03 0.00 -1.26 -4.83 105.19 105.10 2jfk n GLY 507 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 0.44 -0.24 0.99 3.38 -1.78 -1.96 115.31 116.14 2jfk h LEU 508 Ca 0.00 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 2jfk h LEU 508 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jfk h LEU 508 CO 0.00 0.73 -0.64 -1.28 0.09 0.00 0.00 178.44 177.34 2jfk h SER 509 N 0.38 0.97 0.65 -0.43 0.87 -1.89 -2.89 113.55 111.22 2jfk h SER 509 Ca 0.05 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2jfk h SER 509 Cb 0.72 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2jfk h SER 509 CO 0.05 1.37 0.00 0.18 -0.53 0.00 0.00 176.83 177.90 2jfk n LEU 510 N -3.98 0.67 0.32 2.23 4.77 -1.12 -2.71 117.00 117.18 2jfk n LEU 510 Ca -0.06 0.68 0.21 0.00 -0.03 0.00 0.00 56.01 56.81 2jfk n LEU 510 Cb 0.68 -0.61 1.05 0.00 -2.33 0.00 0.00 43.42 42.21 2jfk n LEU 510 CO 0.51 -0.62 1.13 -0.03 -1.33 0.00 0.00 177.39 177.06 2jfk h MET 511 N 0.00 0.00 0.00 3.23 4.05 -1.13 -1.43 114.93 119.65 2jfk h MET 511 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2jfk h MET 511 Cb 0.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2jfk h MET 511 CO 0.00 0.01 -0.05 0.00 0.23 0.00 0.00 176.91 177.10 2jfk h ARG 512 N 0.00 0.00 -6.02 0.39 3.08 -1.69 -3.39 114.38 106.75 2jfk h ARG 512 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2jfk h ARG 512 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 2jfk h ARG 512 CO 0.00 0.05 0.38 -0.51 -1.07 0.00 0.00 179.97 178.81 2jfk s LEU 513 N -7.94 4.21 0.22 3.04 1.43 -0.54 -4.96 118.68 114.14 2jfk s LEU 513 Ca -0.04 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2jfk s LEU 513 Cb 0.15 -3.28 0.22 0.00 0.03 0.00 0.00 46.19 43.31 2jfk s LEU 513 CO 0.59 -0.36 1.86 0.44 0.23 0.00 0.00 176.35 179.11 2jfk h ASP 514 N 7.20 0.82 0.06 2.29 3.32 -1.79 -1.58 116.42 126.74 2jfk h ASP 514 Ca -0.31 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2jfk h ASP 514 Cb 1.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2jfk h ASP 514 CO 0.83 0.57 -0.13 0.03 -1.72 0.00 0.00 179.24 178.82 2jfk h ARG 515 N 0.97 0.16 0.03 3.56 2.47 -1.93 0.27 114.38 119.91 2jfk h ARG 515 Ca 0.31 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2jfk h ARG 515 Cb -0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2jfk h ARG 515 CO -0.11 0.29 -0.01 0.35 0.56 0.00 0.00 179.97 181.05 2jfk h PHE 516 N 0.15 -0.04 -0.34 3.04 3.04 -1.61 -1.93 116.94 119.26 2jfk h PHE 516 Ca 0.03 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 2jfk h PHE 516 Cb 0.32 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 2jfk h PHE 516 CO 0.00 0.60 -0.18 0.07 -2.02 0.00 0.00 178.31 176.78 2jfk h ARG 517 N -0.71 0.62 -0.31 1.11 -0.00 -1.12 -0.72 114.38 113.24 2jfk h ARG 517 Ca -0.00 -0.22 0.05 0.00 -0.00 0.00 0.00 59.98 59.81 2jfk h ARG 517 Cb 0.65 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.97 30.53 2jfk h ARG 517 CO 0.01 0.77 0.05 -0.44 -0.00 0.00 0.00 179.97 180.35 2jfk h ASP 518 N 0.56 -0.02 -0.59 0.08 3.45 -0.54 0.05 116.42 119.40 2jfk h ASP 518 Ca 0.09 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.66 2jfk h ASP 518 Cb 0.62 0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.42 2jfk h ASP 518 CO 0.04 0.02 0.31 -1.28 -1.57 0.00 0.00 179.24 176.76 2jfk h SER 519 N 0.15 0.44 -0.33 6.45 0.87 -0.60 -0.31 113.55 120.22 2jfk h SER 519 Ca 0.15 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2jfk h SER 519 Cb 0.17 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jfk h SER 519 CO -0.21 0.29 -0.21 0.40 -0.53 0.00 0.00 176.83 176.57 2jfk h ILE 520 N 0.58 1.27 -0.58 2.23 1.08 -0.77 -0.84 117.51 120.48 2jfk h ILE 520 Ca 0.26 -1.34 -0.04 0.00 -0.39 0.00 0.00 64.86 63.36 2jfk h ILE 520 Cb 0.17 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2jfk h ILE 520 CO -0.18 0.45 0.21 -0.07 -0.69 0.00 0.00 178.15 177.88 2jfk h LEU 521 N 0.71 0.82 -0.91 1.44 3.38 -0.70 0.60 115.31 120.66 2jfk h LEU 521 Ca 0.10 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jfk h LEU 521 Cb 0.74 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2jfk h LEU 521 CO 0.06 0.78 0.58 -0.09 0.09 0.00 0.00 178.44 179.86 2jfk h ARG 522 N 0.81 1.07 -0.32 1.13 1.12 -0.76 -2.02 114.38 115.41 2jfk h ARG 522 Ca 0.19 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.89 2jfk h ARG 522 Cb 0.23 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2jfk h ARG 522 CO -0.01 0.71 -0.22 0.77 -3.11 0.00 0.00 179.97 178.11 2jfk h SER 523 N 1.10 0.74 -0.98 -3.80 0.02 -0.65 -2.58 113.55 107.39 2jfk h SER 523 Ca 0.38 -0.44 0.26 0.00 -0.84 0.00 0.00 61.79 61.15 2jfk h SER 523 Cb 0.08 -0.21 -0.13 0.00 0.14 0.00 0.00 62.40 62.28 2jfk h SER 523 CO -0.14 1.02 0.53 0.44 -1.14 0.00 0.00 176.83 177.53 2jfk h ASP 524 N 0.47 0.53 -0.34 3.07 5.19 -0.29 -1.14 116.42 123.91 2jfk h ASP 524 Ca 0.06 0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.53 2jfk h ASP 524 Cb 0.77 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 2jfk h ASP 524 CO 0.06 0.01 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.73 2jfk h GLU 525 N 0.46 0.78 -0.57 3.56 5.08 -0.98 0.28 114.58 123.19 2jfk h GLU 525 Ca 0.65 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 58.84 2jfk h GLU 525 Cb 1.30 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2jfk h GLU 525 CO -0.53 0.87 0.38 0.00 -1.00 0.00 0.00 179.01 178.73 2jfk h ALA 526 N 1.16 2.07 -0.40 3.43 0.00 -1.08 -2.73 119.26 121.70 2jfk h ALA 526 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jfk h ALA 526 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jfk h ALA 526 CO 0.04 -0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.37 2jfk n VAL 527 N -4.46 0.68 -0.05 0.00 0.31 -0.44 -4.55 118.33 109.81 2jfk n VAL 527 Ca 0.09 -0.84 -0.08 0.00 -0.01 0.00 0.00 64.34 63.50 2jfk n VAL 527 Cb 0.38 0.78 -0.02 0.00 -0.91 0.00 0.00 33.84 34.08 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 3.47 -0.22 -7.35 5.55 1.57 -0.18 -2.34 116.57 117.07 2jfk h LYS 528 Ca 0.00 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.30 2jfk h LYS 528 Cb 0.85 0.05 0.13 0.00 0.08 0.00 0.00 32.23 33.34 2jfk h LYS 528 CO 0.00 -0.15 0.31 -2.14 -0.57 0.00 0.00 179.45 176.90 2jfk s PRO 529 N -6.09 1.96 0.00 3.15 0.02 -1.26 -1.93 135.00 130.84 2jfk s PRO 529 Ca -0.15 0.86 0.00 0.00 0.02 0.00 0.00 61.00 61.74 2jfk s PRO 529 Cb 0.12 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.76 2jfk s PRO 529 CO 0.68 -1.77 0.00 1.19 -0.33 0.00 0.00 177.00 176.77 2jfk n PHE 530 N -3.57 0.00 -3.11 6.54 0.99 -1.26 -4.36 117.46 112.70 2jfk n PHE 530 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.39 2jfk n PHE 530 Cb 0.55 -0.16 0.05 0.00 -1.00 0.00 0.00 39.48 38.92 2jfk n PHE 530 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jfk n GLY 531 N -1.94 0.01 3.22 1.37 0.00 -0.81 -5.03 105.19 102.00 2jfk n GLY 531 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.86 2.21 -0.23 0.99 1.43 -0.89 -5.06 118.68 112.27 2jfk s LEU 532 Ca 0.28 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2jfk s LEU 532 Cb -0.12 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.35 2jfk s LEU 532 CO 0.45 0.08 -0.09 -1.59 0.23 0.00 0.00 176.35 175.43 2jfk s LYS 533 N -1.37 1.99 0.16 1.70 0.00 -1.26 -3.75 119.74 117.21 2jfk s LYS 533 Ca 0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 55.97 54.79 2jfk s LYS 533 Cb -0.09 -2.60 0.07 0.00 0.00 0.00 0.00 37.83 35.20 2jfk s LYS 533 CO 0.02 -0.51 1.64 0.28 0.00 0.00 0.00 175.35 176.78 2jfk h VAL 534 N 6.57 0.47 -0.96 1.79 2.07 -1.87 -0.69 116.25 123.62 2jfk h VAL 534 Ca -0.23 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.59 2jfk h VAL 534 Cb 1.08 0.47 -0.16 0.00 -1.52 0.00 0.00 31.29 31.15 2jfk h VAL 534 CO 0.46 0.00 0.37 0.77 0.02 0.00 0.00 177.57 179.19 2jfk h SER 535 N -0.14 0.17 0.64 0.57 4.64 -1.96 -0.58 113.55 116.89 2jfk h SER 535 Ca 0.17 0.22 -0.18 0.00 -0.47 0.00 0.00 61.79 61.52 2jfk h SER 535 Cb 0.40 0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2jfk h SER 535 CO -0.41 -0.22 -0.83 1.56 -0.87 0.00 0.00 176.83 176.05 2jfk h GLN 536 N 0.19 0.13 -0.40 4.77 7.50 -1.58 -1.28 115.11 124.45 2jfk h GLN 536 Ca 0.67 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 59.63 2jfk h GLN 536 Cb 1.51 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.07 2jfk h GLN 536 CO -0.69 0.88 0.06 1.37 -1.50 0.00 0.00 178.83 178.95 2jfk h LEU 537 N 0.08 0.64 -0.53 1.46 -0.00 -0.49 -0.73 115.31 115.73 2jfk h LEU 537 Ca -0.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 2jfk h LEU 537 Cb 1.44 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2jfk h LEU 537 CO 0.12 0.74 0.25 -0.07 -0.00 0.00 0.00 178.44 179.49 2jfk h LEU 538 N 0.51 0.69 -1.62 0.17 3.38 -1.10 -2.81 115.31 114.52 2jfk h LEU 538 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2jfk h LEU 538 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jfk h LEU 538 CO 0.01 0.62 -0.19 -0.07 0.09 0.00 0.00 178.44 178.90 2jfk h LEU 539 N 0.70 0.00 -9.24 1.67 3.38 -0.99 -3.34 115.31 107.50 2jfk h LEU 539 Ca 0.18 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.46 2jfk h LEU 539 Cb 0.12 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.92 2jfk h LEU 539 CO -0.02 0.19 0.46 -0.24 0.09 0.00 0.00 178.44 178.91 2jfk n SER 540 N -3.68 1.56 -0.35 -0.43 2.88 -0.30 -4.86 113.62 108.43 2jfk n SER 540 Ca -0.01 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 2jfk n SER 540 Cb 0.31 -1.16 0.62 0.00 -0.75 0.00 0.00 64.21 63.23 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 2.61 0.02 -2.34 2.46 -2.24 -1.26 -4.63 114.28 108.90 2jfk n THR 541 Ca 0.19 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2jfk n THR 541 Cb 0.17 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.95 6.54 0.47 3.42 2.15 -1.26 -4.91 116.67 121.14 2jfk s ASP 542 Ca 0.40 1.24 0.19 0.00 0.43 0.00 0.00 52.55 54.80 2jfk s ASP 542 Cb 0.21 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.48 2jfk s ASP 542 CO 0.33 -1.18 1.98 1.05 -0.17 0.00 0.00 175.17 177.18 2jfk h GLU 543 N 9.88 0.22 -0.49 4.34 4.11 -2.02 -2.18 114.58 128.44 2jfk h GLU 543 Ca -0.28 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2jfk h GLU 543 Cb 1.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jfk h GLU 543 CO 1.03 0.15 0.00 0.43 0.07 0.00 0.00 179.01 180.69 2jfk n SER 544 N -4.44 2.99 -0.22 3.06 7.64 -1.26 -4.50 113.62 116.88 2jfk n SER 544 Ca 0.10 -1.96 -0.02 0.00 1.01 0.00 0.00 58.87 58.00 2jfk n SER 544 Cb 0.48 -0.32 0.09 0.00 -1.01 0.00 0.00 64.21 63.45 2jfk n SER 544 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jfk h THR 545 N 3.45 0.97 -0.34 0.44 1.03 -1.80 -1.74 112.91 114.93 2jfk h THR 545 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2jfk h THR 545 Cb 0.78 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 2jfk h THR 545 CO 0.00 0.12 0.00 0.49 -0.01 0.00 0.00 175.52 176.12 2jfk n PHE 546 N -4.79 0.50 0.21 0.00 3.01 -1.26 -3.49 117.46 111.63 2jfk n PHE 546 Ca 0.08 -0.24 0.10 0.00 1.01 0.00 0.00 57.45 58.40 2jfk n PHE 546 Cb 0.17 -0.02 0.38 0.00 -0.01 0.00 0.00 39.48 40.00 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 2.00 0.00 -3.05 4.37 3.32 -1.61 -3.41 116.42 118.04 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 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2jfk h ASP 547 CO 0.02 0.23 0.75 -0.62 -1.72 0.00 0.00 179.24 177.89 2jfk s ASP 548 N -6.19 7.04 0.39 6.45 2.15 -1.23 -4.94 116.67 120.35 2jfk s ASP 548 Ca 0.02 1.73 0.06 0.00 0.43 0.00 0.00 52.55 54.78 2jfk s ASP 548 Cb 0.09 -2.55 0.79 0.00 -0.30 0.00 0.00 42.92 40.95 2jfk s ASP 548 CO 0.65 -0.62 2.04 -0.29 -0.17 0.00 0.00 175.17 176.77 2jfk h ILE 549 N 5.18 1.13 0.16 4.11 2.10 -1.92 -1.83 117.51 126.44 2jfk h ILE 549 Ca -0.31 -0.26 -0.01 0.00 1.08 0.00 0.00 64.86 65.37 2jfk h ILE 549 Cb 1.14 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 2jfk h ILE 549 CO 0.91 0.13 -0.08 0.58 -1.08 0.00 0.00 178.15 178.61 2jfk h VAL 550 N 0.62 0.89 -0.89 2.19 2.07 -1.92 -1.63 116.25 117.58 2jfk h VAL 550 Ca 0.17 -1.09 0.12 0.00 0.82 0.00 0.00 66.70 66.71 2jfk h VAL 550 Cb -0.04 1.46 -0.13 0.00 -1.52 0.00 0.00 31.29 31.05 2jfk h VAL 550 CO -0.03 0.22 -0.46 0.45 0.02 0.00 0.00 177.57 177.76 2jfk h HIS 551 N -0.82 -1.39 0.18 1.57 3.86 -1.79 -0.58 115.15 116.17 2jfk h HIS 551 Ca -0.02 0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2jfk h HIS 551 Cb 0.53 0.73 -0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jfk h HIS 551 CO 0.08 -0.40 -0.13 0.77 0.86 0.00 0.00 177.93 179.11 2jfk h SER 552 N -0.06 -0.35 -0.86 2.45 0.02 -1.35 -2.10 113.55 111.30 2jfk h SER 552 Ca 0.25 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.40 2jfk h SER 552 Cb 0.53 0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.02 2jfk h SER 552 CO -0.89 -0.19 -0.16 -0.26 -1.14 0.00 0.00 176.83 174.18 2jfk h PHE 553 N -0.30 -0.36 -0.61 3.45 -1.00 -0.77 0.84 116.94 118.18 2jfk h PHE 553 Ca -0.02 0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2jfk h PHE 553 Cb 0.25 0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 2jfk h PHE 553 CO -0.03 -0.36 0.07 0.28 -1.61 0.00 0.00 178.31 176.66 2jfk h VAL 554 N 0.01 1.26 -0.15 -0.55 2.07 -1.17 -2.70 116.25 115.02 2jfk h VAL 554 Ca 0.43 -1.06 -0.22 0.00 0.82 0.00 0.00 66.70 66.67 2jfk h VAL 554 Cb 0.71 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jfk h VAL 554 CO -0.86 0.39 -0.78 0.28 0.02 0.00 0.00 177.57 176.62 2jfk h SER 555 N 0.94 0.92 0.09 0.57 0.02 0.13 -1.06 113.55 115.16 2jfk h SER 555 Ca 0.18 -0.60 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2jfk h SER 555 Cb 0.47 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 2jfk h SER 555 CO 0.02 1.40 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.66 2jfk h LEU 556 N 0.53 -1.11 -0.18 5.07 3.38 -0.98 -0.52 115.31 121.49 2jfk h LEU 556 Ca -0.05 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2jfk h LEU 556 Cb 1.40 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 2jfk h LEU 556 CO 0.16 -0.45 -0.05 0.74 0.09 0.00 0.00 178.44 178.93 2jfk h THR 557 N -0.59 0.80 -0.16 0.22 2.02 -1.49 0.16 112.91 113.87 2jfk h THR 557 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 2jfk h THR 557 Cb 0.63 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2jfk h THR 557 CO -0.24 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.64 2jfk h ALA 558 N 1.17 0.13 -0.74 6.16 0.00 -1.07 0.73 119.26 125.63 2jfk h ALA 558 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jfk h ALA 558 Cb 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2jfk h ALA 558 CO -0.20 -0.45 0.41 0.82 0.00 0.00 0.00 179.25 179.84 2jfk h ILE 559 N 0.04 1.22 -0.83 0.00 2.04 -0.37 -0.95 117.51 118.67 2jfk h ILE 559 Ca 0.07 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2jfk h ILE 559 Cb 0.09 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 2jfk h ILE 559 CO -0.13 0.24 0.55 1.56 0.00 0.00 0.00 178.15 180.37 2jfk h GLN 560 N 1.02 1.03 -0.39 2.37 4.20 0.00 -0.84 115.11 122.50 2jfk h GLN 560 Ca 0.26 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 2jfk h GLN 560 Cb 0.02 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2jfk h GLN 560 CO -0.04 0.68 -0.27 0.82 -0.67 0.00 0.00 178.83 179.35 2jfk h ILE 561 N 1.06 1.27 0.66 2.54 2.04 -0.06 -0.45 117.51 124.57 2jfk h ILE 561 Ca 0.32 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2jfk h ILE 561 Cb -0.02 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jfk h ILE 561 CO -0.09 0.47 -0.32 1.23 0.00 0.00 0.00 178.15 179.45 2jfk h GLY 562 N 0.93 -0.92 -0.64 5.37 0.00 -0.43 0.10 103.07 107.48 2jfk h GLY 562 Ca 0.09 0.34 0.15 0.00 0.00 0.00 0.00 47.33 47.90 2jfk h GLY 562 CO 0.07 -0.33 -0.28 1.41 0.00 0.00 0.00 176.54 177.41 2jfk h LEU 563 N -0.94 -1.00 -0.85 3.11 3.38 -1.08 0.25 115.31 118.17 2jfk h LEU 563 Ca -0.09 0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2jfk h LEU 563 Cb 0.70 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2jfk h LEU 563 CO 0.15 -0.28 0.54 0.40 0.09 0.00 0.00 178.44 179.33 2jfk h ILE 564 N -0.05 1.08 -0.40 1.22 2.04 -0.70 -0.64 117.51 120.07 2jfk h ILE 564 Ca 0.34 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jfk h ILE 564 Cb 0.59 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2jfk h ILE 564 CO -0.82 0.18 0.13 0.44 0.00 0.00 0.00 178.15 178.08 2jfk h ASP 565 N 1.01 0.58 -0.70 1.72 3.32 0.18 0.31 116.42 122.84 2jfk h ASP 565 Ca 0.36 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2jfk h ASP 565 Cb 0.10 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 2jfk h ASP 565 CO -0.15 0.62 0.44 -0.07 -1.72 0.00 0.00 179.24 178.36 2jfk h LEU 566 N 0.50 0.72 -0.56 1.55 3.38 0.43 -0.05 115.31 121.29 2jfk h LEU 566 Ca 0.13 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2jfk h LEU 566 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jfk h LEU 566 CO -0.01 0.50 0.08 -0.07 0.09 0.00 0.00 178.44 179.04 2jfk h LEU 567 N 0.86 0.89 -1.16 1.67 3.38 -0.88 -2.87 115.31 117.20 2jfk h LEU 567 Ca 0.28 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2jfk h LEU 567 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2jfk h LEU 567 CO -0.10 0.93 -0.34 0.28 0.09 0.00 0.00 178.44 179.29 2jfk h SER 568 N 0.82 0.13 0.47 -0.43 0.02 -0.56 -2.48 113.55 111.53 2jfk h SER 568 Ca 0.17 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jfk h SER 568 Cb 0.42 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2jfk h SER 568 CO 0.01 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 2jfk n MET 570 N -2.01 3.22 -1.13 0.00 2.81 -0.96 -4.77 117.12 114.28 2jfk n MET 570 Ca 0.02 -2.65 -0.04 0.00 -1.81 0.00 0.00 57.70 53.22 2jfk n MET 570 Cb 0.16 -1.67 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 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 1.00 0.68 3.55 3.03 0.00 0.10 -4.55 105.19 109.00 2jfk n GLY 571 Ca 0.22 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.90 3.96 -0.15 0.99 1.43 -1.06 -5.02 118.68 117.93 2jfk s LEU 572 Ca 0.00 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 2jfk s LEU 572 Cb 0.00 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2jfk s LEU 572 CO 0.00 -1.18 0.42 -0.13 0.23 0.00 0.00 176.35 175.69 2jfk s ARG 573 N 3.99 4.28 0.27 1.70 3.00 -1.26 -4.40 118.95 126.53 2jfk s ARG 573 Ca 0.36 0.31 -0.25 0.00 0.00 0.00 0.00 55.73 56.15 2jfk s ARG 573 Cb -0.11 -3.46 -0.09 0.00 0.00 0.00 0.00 34.95 31.29 2jfk s ARG 573 CO 0.24 0.13 0.87 -1.25 0.00 0.00 0.00 175.30 175.29 2jfk s PRO 574 N 0.77 4.54 0.13 3.54 0.04 -1.26 -4.85 135.00 137.91 2jfk s PRO 574 Ca 0.22 1.22 0.12 0.00 0.04 0.00 0.00 61.00 62.59 2jfk s PRO 574 Cb -0.14 -2.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.34 2jfk s PRO 574 CO 0.08 0.37 1.17 -0.44 0.04 0.00 0.00 177.00 178.22 2jfk h ASP 575 N 3.47 0.00 -5.05 6.66 3.32 -0.11 -3.47 116.42 121.24 2jfk h ASP 575 Ca -0.47 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 2jfk h ASP 575 Cb 1.19 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 2jfk h ASP 575 CO 0.65 0.80 -0.53 -0.83 -1.72 0.00 0.00 179.24 177.61 2jfk s GLY 576 N -4.71 0.15 -0.01 2.75 0.00 -1.02 -4.66 107.32 99.81 2jfk s GLY 576 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2jfk s GLY 576 CO 0.80 -0.58 0.00 -0.42 0.00 0.00 0.00 173.10 172.90 2jfk s ILE 577 N -2.18 0.04 -0.16 0.90 1.01 0.03 -1.45 121.20 119.39 2jfk s ILE 577 Ca -0.09 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 2jfk s ILE 577 Cb -0.04 -0.08 0.06 0.00 0.01 0.00 0.00 42.46 42.42 2jfk s ILE 577 CO -0.03 0.04 0.37 -0.69 0.00 0.00 0.00 174.94 174.63 2jfk s VAL 578 N 0.33 -0.16 0.28 2.92 1.01 -0.34 -1.62 120.40 122.82 2jfk s VAL 578 Ca -0.03 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2jfk s VAL 578 Cb -0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2jfk s VAL 578 CO -0.01 0.05 0.14 -0.83 0.00 0.00 0.00 175.10 174.45 2jfk s GLY 579 N 1.64 1.63 -0.19 4.51 0.00 -1.26 -1.63 107.32 112.02 2jfk s GLY 579 Ca -0.07 -1.59 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 2jfk s GLY 579 CO -0.12 -1.61 -0.05 -1.58 0.00 0.00 0.00 173.10 169.74 2jfk s HIS 580 N -2.27 1.97 0.00 1.90 2.46 -0.45 -4.66 115.29 114.25 2jfk s HIS 580 Ca 0.34 -1.35 0.00 0.00 0.47 0.00 0.00 55.06 54.52 2jfk s HIS 580 Cb -0.06 -1.42 0.00 0.00 -0.13 0.00 0.00 32.58 30.96 2jfk s HIS 580 CO 0.23 -0.69 0.00 0.45 -2.47 0.00 0.00 174.74 172.27 2jfk n SER 581 N 4.80 0.00 0.23 9.88 2.88 -1.26 -0.60 113.62 129.55 2jfk n SER 581 Ca -0.12 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.58 2jfk n SER 581 Cb 0.46 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.78 2jfk n SER 581 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jfk h LEU 582 N 0.00 0.00 -1.88 2.46 5.85 -1.90 -1.00 115.31 118.83 2jfk h LEU 582 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 2jfk h LEU 582 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jfk h LEU 582 CO 0.00 0.00 0.63 1.23 -0.34 0.00 0.00 178.44 179.96 2jfk h GLY 583 N 0.00 0.00 2.00 3.75 0.00 -0.86 -0.43 103.07 107.53 2jfk h GLY 583 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jfk h GLY 583 CO -0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 2jfk h GLU 584 N 0.00 0.00 0.50 4.80 5.08 -1.35 -1.24 114.58 122.37 2jfk h GLU 584 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2jfk h GLU 584 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2jfk h GLU 584 CO -0.00 0.00 -0.24 0.28 -1.00 0.00 0.00 179.01 178.05 2jfk h VAL 585 N 0.00 0.25 -1.00 3.13 2.07 -1.28 -2.87 116.25 116.56 2jfk h VAL 585 Ca 0.00 -0.50 0.25 0.00 0.82 0.00 0.00 66.70 67.27 2jfk h VAL 585 Cb 0.18 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 2jfk h VAL 585 CO 0.00 0.05 0.58 0.00 0.02 0.00 0.00 177.57 178.22 2jfk h ALA 586 N -0.87 1.79 -0.68 1.67 0.00 -1.64 -0.68 119.26 118.84 2jfk h ALA 586 Ca -0.07 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jfk h ALA 586 Cb 0.59 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2jfk h ALA 586 CO 0.11 -0.30 0.45 0.00 0.00 0.00 0.00 179.25 179.51 2jfk h GLY 588 N 0.81 1.05 0.94 0.00 0.00 -0.89 0.16 103.07 105.13 2jfk h GLY 588 Ca 0.27 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jfk h GLY 588 CO -0.08 0.62 0.04 -1.82 0.00 0.00 0.00 176.54 175.30 2jfk h TYR 589 N 0.88 0.09 -0.27 5.60 5.03 -1.11 0.12 116.97 127.33 2jfk h TYR 589 Ca 0.19 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.52 2jfk h TYR 589 Cb 0.37 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2jfk h TYR 589 CO 0.03 0.13 0.18 0.00 -1.32 0.00 0.00 178.16 177.17 2jfk h ALA 590 N 0.96 1.93 -0.00 1.82 0.00 -0.64 -2.31 119.26 121.02 2jfk h ALA 590 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jfk h ALA 590 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jfk h ALA 590 CO -0.00 0.03 -0.35 -3.47 0.00 0.00 0.00 179.25 175.46 2jfk n ASP 591 N -4.49 0.37 -0.01 0.00 2.03 0.52 -4.94 116.55 110.02 2jfk n ASP 591 Ca 0.02 -0.05 -0.00 0.00 0.52 0.00 0.00 54.79 55.27 2jfk n ASP 591 Cb 0.15 0.03 -0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 1.49 0.41 0.10 0.27 0.00 -0.74 -4.79 105.19 101.94 2jfk n GLY 592 Ca 0.06 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -7.88 2.89 0.93 0.00 1.43 -0.91 -4.41 118.68 110.73 2jfk s LEU 594 Ca -0.18 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2jfk s LEU 594 Cb 0.01 -1.61 0.15 0.00 0.03 0.00 0.00 46.19 44.77 2jfk s LEU 594 CO 0.75 0.35 1.11 -0.94 0.23 0.00 0.00 176.35 177.86 2jfk s SER 595 N -0.81 3.29 0.20 2.29 1.04 -1.26 -3.88 113.70 114.57 2jfk s SER 595 Ca 0.12 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 2jfk s SER 595 Cb -0.11 -1.74 0.18 0.00 0.10 0.00 0.00 66.02 64.46 2jfk s SER 595 CO 0.01 -2.70 1.82 -0.61 0.98 0.00 0.00 173.24 172.73 2jfk h GLN 596 N -1.60 0.66 -0.44 4.02 4.15 -1.98 0.11 115.11 120.03 2jfk h GLN 596 Ca -0.52 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 58.74 2jfk h GLN 596 Cb 1.32 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2jfk h GLN 596 CO 0.60 0.44 -0.20 1.49 -1.93 0.00 0.00 178.83 179.22 2jfk h GLU 597 N 0.68 0.91 -0.27 1.69 4.81 -1.94 -0.24 114.58 120.22 2jfk h GLU 597 Ca 0.26 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2jfk h GLU 597 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2jfk h GLU 597 CO -0.14 1.05 0.03 0.93 -0.73 0.00 0.00 179.01 180.15 2jfk h GLU 598 N 0.74 0.46 -0.54 1.92 5.08 -1.87 -2.06 114.58 118.32 2jfk h GLU 598 Ca 0.10 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jfk h GLU 598 Cb 0.77 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2jfk h GLU 598 CO 0.06 0.59 0.32 0.00 -1.00 0.00 0.00 179.01 178.98 2jfk h ALA 599 N 0.86 0.68 -0.07 3.43 0.00 -0.46 -0.45 119.26 123.24 2jfk h ALA 599 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jfk h ALA 599 Cb 0.36 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jfk h ALA 599 CO 0.01 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.68 2jfk h VAL 600 N 0.72 1.31 -0.75 0.00 2.07 -1.04 -2.53 116.25 116.03 2jfk h VAL 600 Ca 0.19 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2jfk h VAL 600 Cb -0.01 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2jfk h VAL 600 CO -0.04 0.27 0.50 -0.07 0.02 0.00 0.00 177.57 178.25 2jfk h LEU 601 N -0.20 0.80 -0.48 2.57 3.38 -1.21 0.10 115.31 120.28 2jfk h LEU 601 Ca 0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2jfk h LEU 601 Cb 0.45 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2jfk h LEU 601 CO 0.01 0.56 0.18 0.00 0.09 0.00 0.00 178.44 179.28 2jfk h ALA 602 N 1.56 0.58 -0.70 1.53 0.00 -0.95 0.19 119.26 121.47 2jfk h ALA 602 Ca 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2jfk h ALA 602 Cb 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jfk h ALA 602 CO -0.08 -0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.20 2jfk h ALA 603 N 1.31 1.09 0.60 0.00 0.00 -0.61 -2.10 119.26 119.55 2jfk h ALA 603 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jfk h ALA 603 Cb 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jfk h ALA 603 CO -0.22 0.63 -0.29 -0.92 0.00 0.00 0.00 179.25 178.45 2jfk h TYR 604 N 1.03 -0.74 -0.50 0.00 3.20 -0.11 -2.55 116.97 117.30 2jfk h TYR 604 Ca 0.23 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2jfk h TYR 604 Cb 0.27 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2jfk h TYR 604 CO 0.02 -0.46 0.21 -1.49 -1.64 0.00 0.00 178.16 174.80 2jfk h TRP 605 N -0.81 0.76 -0.69 -3.82 4.06 -0.97 0.29 115.95 114.78 2jfk h TRP 605 Ca -0.08 -0.06 0.13 0.00 2.06 0.00 0.00 58.89 60.95 2jfk h TRP 605 Cb 0.62 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 28.42 2jfk h TRP 605 CO -0.03 0.63 -0.23 -0.09 -3.56 0.00 0.00 178.44 175.16 2jfk h ARG 606 N 0.67 -0.05 -0.09 0.49 2.43 -1.40 0.37 114.38 116.80 2jfk h ARG 606 Ca 0.17 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2jfk h ARG 606 Cb 0.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2jfk h ARG 606 CO -0.01 -0.03 -0.15 0.78 -1.51 0.00 0.00 179.97 179.04 2jfk h GLY 607 N -0.05 0.29 0.97 2.80 0.00 -0.93 -3.08 103.07 103.08 2jfk h GLY 607 Ca 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2jfk h GLY 607 CO -0.73 0.30 0.18 -1.61 0.00 0.00 0.00 176.54 174.68 2jfk h GLN 608 N -0.17 0.75 -0.45 4.80 5.75 0.04 -1.30 115.11 124.52 2jfk h GLN 608 Ca 0.01 -0.15 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2jfk h GLN 608 Cb 0.71 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 2jfk h GLN 608 CO 0.03 0.68 0.20 0.00 -2.65 0.00 0.00 178.83 177.09 2jfk h ILE 610 N 0.39 0.61 -0.66 0.00 2.04 -1.40 -2.21 117.51 116.29 2jfk h ILE 610 Ca 0.20 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.19 2jfk h ILE 610 Cb 0.15 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 36.71 2jfk h ILE 610 CO -0.17 0.00 -0.17 0.50 0.00 0.00 0.00 178.15 178.31 2jfk h LYS 611 N -0.48 -0.01 -0.16 2.37 3.64 -0.98 0.50 116.57 121.46 2jfk h LYS 611 Ca -0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2jfk h LYS 611 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2jfk h LYS 611 CO 0.04 -0.00 -0.10 0.93 -2.27 0.00 0.00 179.45 178.05 2jfk h GLU 612 N -0.01 0.24 0.00 1.90 5.08 -1.27 -3.28 114.58 117.25 2jfk h GLU 612 Ca 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2jfk h GLU 612 Cb 0.49 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jfk h GLU 612 CO -0.68 0.35 -0.04 0.00 -1.00 0.00 0.00 179.01 177.64 2jfk h ALA 613 N 1.67 1.16 -6.07 3.43 0.00 -0.23 -3.47 119.26 115.74 2jfk h ALA 613 Ca 0.05 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 2jfk h ALA 613 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jfk h ALA 613 CO 0.02 0.05 -0.77 -2.39 0.00 0.00 0.00 179.25 176.15 2jfk n HIS 614 N -3.36 -1.44 -2.17 0.00 1.44 -1.24 -4.97 115.22 103.48 2jfk n HIS 614 Ca -0.02 0.59 -0.26 0.00 -2.01 0.00 0.00 57.72 56.02 2jfk n HIS 614 Cb 0.17 -1.78 0.08 0.00 0.12 0.00 0.00 29.99 28.58 2jfk n HIS 614 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2jfk s LEU 615 N -3.73 2.79 0.76 2.39 1.43 -1.26 -5.07 118.68 115.98 2jfk s LEU 615 Ca 0.03 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 2jfk s LEU 615 Cb -0.00 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.23 2jfk s LEU 615 CO 0.61 -1.70 1.08 -2.84 0.23 0.00 0.00 176.35 173.73 2jfk s PRO 616 N -5.31 2.41 -0.03 1.29 0.02 -1.26 -4.92 135.00 127.19 2jfk s PRO 616 Ca 0.61 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.31 2jfk s PRO 616 Cb -0.10 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 2jfk s PRO 616 CO 0.45 -1.48 1.61 -1.25 -0.33 0.00 0.00 177.00 176.01 2jfk s PRO 617 N -5.00 4.20 0.50 5.54 0.04 -1.26 -4.91 135.00 134.11 2jfk s PRO 617 Ca 0.60 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.84 2jfk s PRO 617 Cb -0.16 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 2jfk s PRO 617 CO 0.55 -0.79 0.03 0.20 0.04 0.00 0.00 177.00 177.04 2jfk s GLY 618 N 2.96 2.93 -0.02 0.56 0.00 0.96 -2.69 107.32 112.01 2jfk s GLY 618 Ca 0.72 -0.65 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 2jfk s GLY 618 CO 0.29 -2.17 0.62 0.00 0.00 0.00 0.00 173.10 171.84 2jfk s ALA 619 N -2.85 -1.61 0.19 3.20 0.00 0.63 -3.75 121.76 117.56 2jfk s ALA 619 Ca 0.11 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.23 2jfk s ALA 619 Cb 0.02 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2jfk s ALA 619 CO 0.06 -0.40 -0.17 -1.64 0.00 0.00 0.00 175.76 173.61 2jfk s MET 620 N -1.53 1.31 -0.12 0.00 -1.94 -1.26 -1.67 119.30 114.09 2jfk s MET 620 Ca -0.10 -1.50 -0.10 0.00 -1.71 0.00 0.00 55.69 52.29 2jfk s MET 620 Cb -0.01 -1.26 0.04 0.00 2.01 0.00 0.00 34.83 35.61 2jfk s MET 620 CO 0.06 0.24 0.31 0.00 -0.01 0.00 0.00 175.02 175.62 2jfk s ALA 621 N -2.45 -0.77 0.10 3.03 0.00 -0.62 -2.89 121.76 118.16 2jfk s ALA 621 Ca 0.19 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2jfk s ALA 621 Cb -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2jfk s ALA 621 CO 0.07 -0.17 1.13 0.00 0.00 0.00 0.00 175.76 176.78 2jfk s ALA 622 N 0.56 3.35 -0.00 0.00 0.00 0.99 -1.49 121.76 125.17 2jfk s ALA 622 Ca -0.03 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2jfk s ALA 622 Cb -0.05 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2jfk s ALA 622 CO -0.03 -0.32 -0.04 0.08 0.00 0.00 0.00 175.76 175.46 2jfk s VAL 623 N 0.55 0.28 -0.34 0.00 1.01 0.04 0.08 120.40 122.03 2jfk s VAL 623 Ca 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 2jfk s VAL 623 Cb -0.28 -0.24 0.22 0.00 0.00 0.00 0.00 36.38 36.07 2jfk s VAL 623 CO 0.31 0.06 2.05 0.61 0.00 0.00 0.00 175.10 178.13 2jfk n GLY 624 N 2.95 4.20 3.73 4.51 0.00 0.28 -2.17 105.19 118.68 2jfk n GLY 624 Ca -0.13 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.92 3.17 0.70 0.99 1.43 -1.25 -4.69 118.68 117.10 2jfk s LEU 625 Ca 0.33 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 2jfk s LEU 625 Cb 0.26 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.93 2jfk s LEU 625 CO -0.01 -0.43 1.08 -0.94 0.23 0.00 0.00 176.35 176.27 2jfk s SER 626 N -3.88 5.38 0.11 2.29 1.04 -1.26 -3.43 113.70 113.95 2jfk s SER 626 Ca 0.40 1.04 -0.25 0.00 0.48 0.00 0.00 55.95 57.61 2jfk s SER 626 Cb 0.01 -1.83 -0.09 0.00 0.10 0.00 0.00 66.02 64.20 2jfk s SER 626 CO 0.23 -1.36 1.67 -0.25 0.98 0.00 0.00 173.24 174.51 2jfk h TRP 627 N -0.63 -0.43 -0.67 5.02 2.91 -1.88 0.23 115.95 120.50 2jfk h TRP 627 Ca -0.45 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.51 2jfk h TRP 627 Cb 1.26 0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 30.06 2jfk h TRP 627 CO 0.48 -0.24 0.17 0.93 -1.03 0.00 0.00 178.44 178.75 2jfk h GLU 628 N -0.31 1.07 -0.77 2.65 4.39 -1.95 0.82 114.58 120.49 2jfk h GLU 628 Ca 0.03 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2jfk h GLU 628 Cb 0.34 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2jfk h GLU 628 CO -0.10 0.95 0.32 1.05 -1.16 0.00 0.00 179.01 180.07 2jfk h GLU 629 N 1.00 1.14 0.41 2.33 9.09 -1.89 -1.49 114.58 125.18 2jfk h GLU 629 Ca 0.21 -0.20 -0.02 0.00 0.05 0.00 0.00 59.36 59.41 2jfk h GLU 629 Cb 0.36 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2jfk h GLU 629 CO 0.00 0.92 -0.20 0.00 0.05 0.00 0.00 179.01 179.78 2jfk h LYS 631 N -0.64 -0.02 -0.05 0.00 3.64 -0.52 0.42 116.57 119.39 2jfk h LYS 631 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2jfk h LYS 631 Cb 0.47 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2jfk h LYS 631 CO 0.09 -0.01 -0.05 0.37 -2.27 0.00 0.00 179.45 177.58 2jfk h GLN 632 N -0.02 0.13 0.00 1.90 5.75 -1.17 -3.32 115.11 118.38 2jfk h GLN 632 Ca 0.36 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 2jfk h GLN 632 Cb 0.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 2jfk h GLN 632 CO -0.81 0.57 -0.23 0.54 -2.65 0.00 0.00 178.83 176.25 2jfk n ARG 633 N -4.75 0.17 -2.05 1.69 5.12 0.29 -4.87 116.66 112.26 2jfk n ARG 633 Ca -0.08 0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 2jfk n ARG 633 Cb 0.28 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 2jfk n ARG 633 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jfk s PRO 635 N 2.33 1.27 0.36 0.00 0.04 -1.26 -4.90 135.00 132.84 2jfk s PRO 635 Ca 0.69 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 2jfk s PRO 635 Cb -0.37 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 2jfk s PRO 635 CO 0.30 -2.46 1.35 -1.25 0.04 0.00 0.00 177.00 174.98 2jfk s PRO 636 N -4.47 4.19 0.00 0.56 0.04 -1.26 -1.98 135.00 132.07 2jfk s PRO 636 Ca 0.69 2.28 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2jfk s PRO 636 Cb -0.25 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2jfk s PRO 636 CO 0.55 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2jfk n GLY 637 N 0.69 1.43 3.38 0.56 0.00 -1.26 -5.00 105.19 104.99 2jfk n GLY 637 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.42 3.13 0.05 1.61 1.01 -0.84 -4.16 120.40 117.78 2jfk s VAL 638 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jfk s VAL 638 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2jfk s VAL 638 CO 0.00 0.52 -0.10 0.68 0.00 0.00 0.00 175.10 176.20 2jfk s VAL 639 N 0.32 0.77 0.26 2.92 -7.23 0.08 -4.58 120.40 112.94 2jfk s VAL 639 Ca -0.10 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2jfk s VAL 639 Cb -0.16 -0.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.89 2jfk s VAL 639 CO 0.05 -0.32 1.32 -2.16 -0.31 0.00 0.00 175.10 173.68 2jfk s PRO 640 N -1.66 4.37 0.00 4.82 0.04 -1.26 -0.18 135.00 141.13 2jfk s PRO 640 Ca -0.07 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2jfk s PRO 640 Cb -0.10 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2jfk s PRO 640 CO 0.01 -0.24 0.23 0.00 0.04 0.00 0.00 177.00 177.04 2jfk n ALA 641 N 1.90 2.16 -2.97 8.56 0.00 0.15 -4.85 120.51 125.47 2jfk n ALA 641 Ca 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2jfk n ALA 641 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.51 -0.52 -0.18 0.00 2.46 -0.40 0.11 115.29 116.26 2jfk s HIS 643 Ca 0.00 0.19 0.05 0.00 0.47 0.00 0.00 55.06 55.76 2jfk s HIS 643 Cb 0.00 0.09 -0.22 0.00 -0.13 0.00 0.00 32.58 32.32 2jfk s HIS 643 CO 0.00 -0.33 0.13 0.09 -2.47 0.00 0.00 174.74 172.16 2jfk n ASN 644 N 4.39 1.42 -3.44 9.88 3.02 -0.54 -0.70 115.26 129.30 2jfk n ASN 644 Ca 0.08 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.59 2jfk n ASN 644 Cb 0.60 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 2jfk n ASN 644 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jfk s SER 645 N -6.37 0.23 0.38 6.41 1.04 -0.92 -4.01 113.70 110.46 2jfk s SER 645 Ca -0.22 -1.13 0.15 0.00 0.48 0.00 0.00 55.95 55.24 2jfk s SER 645 Cb 0.08 0.70 1.02 0.00 0.10 0.00 0.00 66.02 67.92 2jfk s SER 645 CO 0.73 -1.37 1.77 0.07 0.98 0.00 0.00 173.24 175.42 2jfk h LYS 646 N 2.11 0.46 -0.21 4.02 -0.00 -1.95 -2.10 116.57 118.90 2jfk h LYS 646 Ca -0.28 -0.03 -0.19 0.00 -0.00 0.00 0.00 60.65 60.15 2jfk h LYS 646 Cb 1.25 -0.10 -0.25 0.00 -0.00 0.00 0.00 32.23 33.13 2jfk h LYS 646 CO 0.36 0.30 -0.79 -0.40 -0.00 0.00 0.00 179.45 178.92 2jfk n ASP 647 N -4.68 2.14 -3.79 7.07 5.75 -1.26 -4.09 116.55 117.70 2jfk n ASP 647 Ca 0.25 -3.10 -0.29 0.00 -0.01 0.00 0.00 54.79 51.64 2jfk n ASP 647 Cb 0.81 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 2jfk n ASP 647 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jfk s THR 648 N -2.71 0.91 -0.04 2.12 2.01 -0.79 -3.87 115.64 113.28 2jfk s THR 648 Ca 0.38 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.40 2jfk s THR 648 Cb 0.38 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2jfk s THR 648 CO -0.07 -0.36 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.57 2jfk s VAL 649 N 1.65 1.92 -0.22 3.82 1.01 -0.92 -1.47 120.40 126.18 2jfk s VAL 649 Ca 0.02 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2jfk s VAL 649 Cb -0.18 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2jfk s VAL 649 CO -0.14 0.54 0.43 -0.89 0.00 0.00 0.00 175.10 175.04 2jfk s THR 650 N -0.34 5.16 0.33 3.92 2.01 -1.26 -0.78 115.64 124.69 2jfk s THR 650 Ca 0.03 0.75 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 2jfk s THR 650 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2jfk s THR 650 CO 0.01 0.21 0.55 0.27 -0.69 0.00 0.00 174.62 174.97 2jfk s ILE 651 N 1.57 5.09 0.00 1.82 -4.36 -0.55 0.30 121.20 125.07 2jfk s ILE 651 Ca 0.20 -0.35 -0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2jfk s ILE 651 Cb -0.15 -3.84 -0.01 0.00 1.25 0.00 0.00 42.46 39.72 2jfk s ILE 651 CO 0.09 -0.51 0.02 -0.55 0.24 0.00 0.00 174.94 174.23 2jfk s SER 652 N -3.85 0.09 0.00 4.36 0.15 0.75 -1.58 113.70 113.61 2jfk s SER 652 Ca 0.41 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2jfk s SER 652 Cb -0.10 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2jfk s SER 652 CO 0.35 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2jfk n GLY 653 N 2.17 -0.80 3.78 9.45 0.00 -0.67 -0.74 105.19 118.38 2jfk n GLY 653 Ca -0.19 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 2jfk n GLY 653 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jfk s PRO 654 N -0.98 3.20 0.11 1.61 0.04 -1.26 -0.27 135.00 137.46 2jfk s PRO 654 Ca 0.00 1.50 -0.34 0.00 0.04 0.00 0.00 61.00 62.20 2jfk s PRO 654 Cb 0.00 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 2jfk s PRO 654 CO 0.00 -0.95 1.56 0.37 0.04 0.00 0.00 177.00 178.02 2jfk h GLN 655 N 0.78 -0.63 0.43 4.56 4.15 -1.74 -3.24 115.11 119.43 2jfk h GLN 655 Ca -0.49 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 2jfk h GLN 655 Cb 1.25 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2jfk h GLN 655 CO 0.56 -0.42 -0.21 0.00 -1.93 0.00 0.00 178.83 176.84 2jfk h ALA 656 N -0.34 -0.58 -0.01 3.38 0.00 -1.93 -2.21 119.26 117.57 2jfk h ALA 656 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfk h ALA 656 Cb 0.71 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jfk h ALA 656 CO -0.37 -0.75 0.01 -1.00 0.00 0.00 0.00 179.25 177.14 2jfk h PRO 657 N -0.72 0.00 0.75 0.00 0.13 -1.99 0.37 132.00 130.54 2jfk h PRO 657 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2jfk h PRO 657 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2jfk h PRO 657 CO 0.10 0.00 -0.36 0.28 -0.23 0.00 0.00 178.00 177.79 2jfk h VAL 658 N 0.00 0.26 -0.74 1.56 2.07 -1.54 -0.28 116.25 117.59 2jfk h VAL 658 Ca 0.01 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.66 2jfk h VAL 658 Cb 0.03 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 29.93 2jfk h VAL 658 CO -0.00 0.00 -0.21 -0.26 0.02 0.00 0.00 177.57 177.12 2jfk h PHE 659 N -1.01 -0.48 -0.49 1.57 0.05 -0.50 -0.01 116.94 116.08 2jfk h PHE 659 Ca -0.10 0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.78 2jfk h PHE 659 Cb 0.77 0.32 -0.04 0.00 2.00 0.00 0.00 35.95 39.01 2jfk h PHE 659 CO -0.02 -0.33 0.28 0.93 -0.18 0.00 0.00 178.31 178.99 2jfk h GLU 660 N -0.02 0.54 -0.02 1.51 4.39 -0.15 -0.46 114.58 120.37 2jfk h GLU 660 Ca 0.34 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.85 2jfk h GLU 660 Cb 0.55 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2jfk h GLU 660 CO -0.77 0.36 -0.72 0.35 -1.16 0.00 0.00 179.01 177.07 2jfk h PHE 661 N 0.55 0.17 0.17 4.33 3.57 -0.27 0.94 116.94 126.40 2jfk h PHE 661 Ca 0.20 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2jfk h PHE 661 Cb 0.05 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2jfk h PHE 661 CO -0.08 0.79 -0.08 0.28 -2.23 0.00 0.00 178.31 177.00 2jfk h VAL 662 N 0.08 0.95 0.00 1.41 2.07 -0.66 -1.34 116.25 118.76 2jfk h VAL 662 Ca -0.02 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jfk h VAL 662 Cb 1.27 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2jfk h VAL 662 CO 0.10 0.14 0.00 -0.33 0.02 0.00 0.00 177.57 177.50 2jfk h GLU 663 N -0.52 0.00 0.00 1.57 3.07 -1.01 -2.56 114.58 115.13 2jfk h GLU 663 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jfk h GLU 663 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2jfk h GLU 663 CO 0.04 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.59 2jfk n GLN 664 N -2.63 0.00 -0.27 2.33 7.27 0.32 -3.94 117.38 120.45 2jfk n GLN 664 Ca 0.02 0.46 0.01 0.00 0.07 0.00 0.00 57.00 57.55 2jfk n GLN 664 Cb 0.28 -1.18 0.08 0.00 2.41 0.00 0.00 30.24 31.83 2jfk n GLN 664 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2jfk h LEU 665 N 0.00 -0.84 -0.96 1.69 3.38 -1.13 0.24 115.31 117.68 2jfk h LEU 665 Ca 0.00 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.37 2jfk h LEU 665 Cb 0.00 0.52 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 2jfk h LEU 665 CO 0.00 -0.27 -0.34 0.03 0.09 0.00 0.00 178.44 177.95 2jfk h ARG 666 N -0.03 -0.01 0.00 1.13 2.47 -1.48 0.10 114.38 116.56 2jfk h ARG 666 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2jfk h ARG 666 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2jfk h ARG 666 CO -0.80 -0.01 0.00 1.63 0.56 0.00 0.00 179.97 181.35 2jfk n LYS 667 N -5.51 0.87 -0.08 0.04 4.76 0.82 -2.97 118.16 116.10 2jfk n LYS 667 Ca 0.11 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.37 2jfk n LYS 667 Cb 0.42 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 32.01 2jfk n LYS 667 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jfk n GLU 668 N -0.97 0.69 0.00 1.97 1.02 0.33 -5.01 120.64 118.67 2jfk n GLU 668 Ca 0.20 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2jfk n GLU 668 Cb 0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2jfk n GLU 668 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jfk n GLY 669 N 2.08 -0.38 3.65 0.62 0.00 -0.99 -5.13 105.19 105.04 2jfk n GLY 669 Ca -0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.50 3.62 -0.05 1.61 1.01 -0.98 -5.04 120.40 120.07 2jfk s VAL 670 Ca 0.00 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 2jfk s VAL 670 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2jfk s VAL 670 CO 0.00 -0.12 0.88 0.12 0.00 0.00 0.00 175.10 175.99 2jfk s PHE 671 N -1.74 3.59 -0.19 5.22 5.36 -1.26 -3.44 117.98 125.51 2jfk s PHE 671 Ca 0.27 1.50 -0.07 0.00 -0.96 0.00 0.00 56.93 57.66 2jfk s PHE 671 Cb -0.09 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.65 2jfk s PHE 671 CO 0.18 -0.04 0.42 0.00 -1.46 0.00 0.00 175.22 174.32 2jfk s ALA 672 N 1.22 -1.13 -0.06 11.12 0.00 -1.26 0.10 121.76 131.74 2jfk s ALA 672 Ca 0.45 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.95 2jfk s ALA 672 Cb -0.19 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2jfk s ALA 672 CO 0.22 -0.64 -0.10 0.15 0.00 0.00 0.00 175.76 175.38 2jfk s LYS 673 N 2.34 1.43 0.16 0.00 1.02 0.11 -4.87 119.74 119.94 2jfk s LYS 673 Ca -0.03 -0.32 -0.32 0.00 0.02 0.00 0.00 55.97 55.31 2jfk s LYS 673 Cb -0.11 -1.23 -0.12 0.00 -0.52 0.00 0.00 37.83 35.85 2jfk s LYS 673 CO -0.13 -0.00 1.72 -1.91 -0.92 0.00 0.00 175.35 174.11 2jfk n GLU 674 N 3.86 2.60 -2.82 1.68 2.13 -1.26 -0.01 120.64 126.83 2jfk n GLU 674 Ca -0.24 0.94 -0.19 0.00 0.66 0.00 0.00 57.16 58.33 2jfk n GLU 674 Cb 0.51 -2.78 0.02 0.00 0.27 0.00 0.00 31.44 29.47 2jfk n GLU 674 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2jfk s VAL 675 N 1.59 2.83 -0.23 6.31 -7.23 -1.14 -4.80 120.40 117.72 2jfk s VAL 675 Ca 0.78 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2jfk s VAL 675 Cb -0.55 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.39 2jfk s VAL 675 CO 0.36 -0.00 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.98 2jfk s ARG 676 N -4.56 3.21 0.00 4.82 0.52 -1.26 -4.64 118.95 117.04 2jfk s ARG 676 Ca 0.56 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2jfk s ARG 676 Cb -0.10 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.34 2jfk s ARG 676 CO 0.36 -0.27 0.95 0.25 0.02 0.00 0.00 175.30 176.61 2jfk n THR 677 N 4.77 0.91 -2.90 0.02 -2.24 -1.26 -4.91 114.28 108.67 2jfk n THR 677 Ca -0.17 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.54 2jfk n THR 677 Cb 0.50 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.45 -0.09 2.27 3.38 0.00 -1.26 -2.99 105.19 106.04 2jfk n GLY 678 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.34 0.42 3.87 -0.02 0.00 -1.26 -5.01 105.19 101.85 2jfk n GLY 679 Ca -0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.82 3.29 -0.84 1.61 0.00 -1.16 -0.03 119.30 121.34 2jfk s MET 680 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 55.69 55.26 2jfk s MET 680 Cb 0.00 -2.98 0.23 0.00 0.00 0.00 0.00 34.83 32.08 2jfk s MET 680 CO 0.00 0.63 0.81 0.00 0.00 0.00 0.00 175.02 176.46 2jfk n ALA 681 N 0.72 3.95 -1.18 4.11 0.00 -1.26 -3.80 120.51 123.05 2jfk n ALA 681 Ca -0.09 -4.65 -0.31 0.00 0.00 0.00 0.00 53.44 48.39 2jfk n ALA 681 Cb 0.52 -1.50 0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.78 2.43 -1.34 0.00 0.40 -1.26 -4.01 117.98 112.42 2jfk s PHE 682 Ca 0.30 1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 58.17 2jfk s PHE 682 Cb -0.01 -3.09 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 2jfk s PHE 682 CO -0.09 -1.99 0.59 0.72 0.70 0.00 0.00 175.22 175.15 2jfk n HIS 683 N -3.66 -1.81 -3.97 0.36 8.25 -1.18 -4.83 115.22 108.38 2jfk n HIS 683 Ca 0.09 0.79 -0.11 0.00 -0.26 0.00 0.00 57.72 58.23 2jfk n HIS 683 Cb 0.53 -4.11 -0.03 0.00 1.12 0.00 0.00 29.99 27.51 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 -4.33 0.25 0.54 0.41 1.04 -1.19 -4.32 113.70 106.10 2jfk s SER 684 Ca 0.02 -1.14 0.23 0.00 0.48 0.00 0.00 55.95 55.55 2jfk s SER 684 Cb -0.01 0.69 1.40 0.00 0.10 0.00 0.00 66.02 68.21 2jfk s SER 684 CO 0.84 -1.35 2.05 0.10 0.98 0.00 0.00 173.24 175.87 2jfk h TYR 685 N 2.12 0.00 -0.50 5.02 -0.00 -1.87 -1.81 116.97 119.92 2jfk h TYR 685 Ca -0.28 0.00 0.15 0.00 -0.00 0.00 0.00 58.73 58.60 2jfk h TYR 685 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.96 2jfk h TYR 685 CO 1.00 0.00 0.68 0.74 -0.00 0.00 0.00 178.16 180.58 2jfk h PHE 686 N 0.00 0.00 -0.01 0.10 -1.00 -1.96 -1.07 116.94 113.01 2jfk h PHE 686 Ca 0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2jfk h PHE 686 Cb 0.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2jfk h PHE 686 CO 0.00 0.00 -0.44 -1.33 -1.61 0.00 0.00 178.31 174.93 2jfk n MET 687 N -3.38 0.68 0.20 1.51 2.81 -0.68 -4.20 117.12 114.05 2jfk n MET 687 Ca 0.10 -0.47 0.04 0.00 -1.81 0.00 0.00 57.70 55.57 2jfk n MET 687 Cb 0.87 -1.49 0.47 0.00 -0.71 0.00 0.00 33.22 32.35 2jfk n MET 687 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2jfk h GLU 688 N 1.14 0.06 0.00 0.03 4.57 -1.36 -1.37 114.58 117.64 2jfk h GLU 688 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jfk h GLU 688 Cb 0.56 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2jfk h GLU 688 CO 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 179.01 178.07 2jfk h ALA 689 N 1.76 1.00 0.00 2.92 0.00 -1.78 -2.90 119.26 120.27 2jfk h ALA 689 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jfk h ALA 689 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jfk h ALA 689 CO 0.02 0.00 -1.03 -0.89 0.00 0.00 0.00 179.25 177.35 2jfk n ILE 690 N -2.30 0.00 0.25 0.00 5.41 -0.52 -4.58 119.36 117.63 2jfk n ILE 690 Ca -0.01 -0.13 -0.15 0.00 1.00 0.00 0.00 62.75 63.46 2jfk n ILE 690 Cb 0.08 0.85 -0.08 0.00 -0.71 0.00 0.00 39.64 39.77 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 2.46 -0.64 -0.49 -1.39 0.00 -1.55 -1.99 119.26 115.65 2jfk h ALA 691 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2jfk h ALA 691 Cb 0.51 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2jfk h ALA 691 CO 0.00 -0.76 0.12 -1.35 0.00 0.00 0.00 179.25 177.26 2jfk h PRO 692 N -0.83 0.26 -0.29 0.00 0.11 -1.81 0.54 132.00 129.99 2jfk h PRO 692 Ca -0.07 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2jfk h PRO 692 Cb 0.57 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2jfk h PRO 692 CO 0.11 0.17 0.04 -1.00 -0.21 0.00 0.00 178.00 177.11 2jfk h PRO 693 N 0.27 0.47 -0.40 1.05 0.13 -1.84 -2.36 132.00 129.33 2jfk h PRO 693 Ca 0.24 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2jfk h PRO 693 Cb 0.31 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 2jfk h PRO 693 CO -0.30 0.59 0.20 1.25 -0.23 0.00 0.00 178.00 179.51 2jfk h LEU 694 N 0.29 0.51 -1.26 1.56 5.85 -0.79 -1.72 115.31 119.75 2jfk h LEU 694 Ca 0.09 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2jfk h LEU 694 Cb 0.34 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2jfk h LEU 694 CO 0.01 0.49 0.54 0.25 -0.34 0.00 0.00 178.44 179.38 2jfk h LEU 695 N 0.50 0.77 -0.20 2.25 5.85 0.09 0.17 115.31 124.74 2jfk h LEU 695 Ca 0.14 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2jfk h LEU 695 Cb 0.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jfk h LEU 695 CO -0.02 0.48 0.04 -0.61 -0.34 0.00 0.00 178.44 178.00 2jfk h GLN 696 N 0.87 0.32 -0.16 1.25 4.15 -0.88 -1.78 115.11 118.87 2jfk h GLN 696 Ca 0.36 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 2jfk h GLN 696 Cb 0.29 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2jfk h GLN 696 CO -0.14 0.45 -0.09 0.93 -1.93 0.00 0.00 178.83 178.05 2jfk h GLU 697 N 0.13 0.35 -0.13 1.69 4.39 -0.39 -3.15 114.58 117.48 2jfk h GLU 697 Ca 0.06 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2jfk h GLU 697 Cb 0.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2jfk h GLU 697 CO 0.00 0.68 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.15 2jfk h LEU 698 N 0.02 0.25 -2.07 1.33 3.38 -0.78 -2.34 115.31 115.10 2jfk h LEU 698 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2jfk h LEU 698 Cb 0.58 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jfk h LEU 698 CO 0.03 0.56 -0.04 0.11 0.09 0.00 0.00 178.44 179.18 2jfk h LYS 699 N 0.22 0.00 0.02 1.13 1.57 -1.28 0.35 116.57 118.59 2jfk h LYS 699 Ca 0.03 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 2jfk h LYS 699 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2jfk h LYS 699 CO 0.05 0.04 -1.03 0.87 -0.57 0.00 0.00 179.45 178.81 2jfk h LYS 700 N 0.00 0.05 0.13 3.15 1.57 -1.45 -3.37 116.57 116.65 2jfk h LYS 700 Ca -0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jfk h LYS 700 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2jfk h LYS 700 CO 0.01 1.03 -0.06 0.28 -0.57 0.00 0.00 179.45 180.13 2jfk h VAL 701 N 0.01 0.33 -2.95 0.50 2.07 -0.75 -3.39 116.25 112.07 2jfk h VAL 701 Ca -0.03 -1.06 -0.78 0.00 0.82 0.00 0.00 66.70 65.64 2jfk h VAL 701 Cb 1.78 0.59 -0.25 0.00 -1.52 0.00 0.00 31.29 31.90 2jfk h VAL 701 CO 0.14 0.10 0.85 -0.38 0.02 0.00 0.00 177.57 178.30 2jfk n ILE 702 N -4.88 4.62 -2.93 4.57 5.41 0.11 -4.91 119.36 121.35 2jfk n ILE 702 Ca -0.04 -5.25 -0.33 0.00 1.00 0.00 0.00 62.75 58.13 2jfk n ILE 702 Cb 0.15 -2.45 -0.07 0.00 -0.71 0.00 0.00 39.64 36.56 2jfk n ILE 702 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jfk s ARG 703 N -0.75 4.17 -0.91 0.38 1.81 -1.26 -4.35 118.95 118.04 2jfk s ARG 703 Ca 0.34 0.97 -0.08 0.00 -1.72 0.00 0.00 55.73 55.25 2jfk s ARG 703 Cb -0.04 -2.30 -0.00 0.00 -0.45 0.00 0.00 34.95 32.16 2jfk s ARG 703 CO -0.02 0.05 0.69 -0.85 -0.68 0.00 0.00 175.30 174.49 2jfk n GLU 704 N -0.48 -1.33 -1.68 3.54 0.28 -1.26 -4.85 120.64 114.86 2jfk n GLU 704 Ca 0.05 0.85 -0.45 0.00 -0.16 0.00 0.00 57.16 57.46 2jfk n GLU 704 Cb 0.54 -3.85 -0.04 0.00 1.43 0.00 0.00 31.44 29.51 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 -2.94 2.29 -3.54 3.44 -0.02 -1.26 -4.98 135.00 127.98 2jfk n PRO 705 Ca -0.15 0.82 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 2jfk n PRO 705 Cb 0.60 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.05 3.72 0.39 -0.52 1.02 -1.26 -4.91 119.74 119.23 2jfk s LYS 706 Ca 0.78 0.11 -0.25 0.00 0.02 0.00 0.00 55.97 56.63 2jfk s LYS 706 Cb -0.64 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.80 2jfk s LYS 706 CO 0.37 0.41 1.12 -1.25 -0.92 0.00 0.00 175.35 175.08 2jfk s PRO 707 N -2.64 4.15 0.29 -1.68 0.04 -1.26 -2.78 135.00 131.12 2jfk s PRO 707 Ca 0.43 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2jfk s PRO 707 Cb -0.12 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 2jfk s PRO 707 CO 0.22 -0.20 1.11 1.03 0.04 0.00 0.00 177.00 179.20 2jfk s ARG 708 N -2.27 4.59 0.77 4.56 0.52 -0.34 -4.74 118.95 122.05 2jfk s ARG 708 Ca 0.56 1.81 -0.10 0.00 -0.52 0.00 0.00 55.73 57.47 2jfk s ARG 708 Cb -0.28 -3.14 0.07 0.00 0.52 0.00 0.00 34.95 32.13 2jfk s ARG 708 CO 0.35 0.17 1.13 -1.54 0.02 0.00 0.00 175.30 175.42 2jfk s SER 709 N -0.91 4.62 0.07 0.23 1.04 -1.26 -4.90 113.70 112.59 2jfk s SER 709 Ca 0.46 0.68 0.19 0.00 0.48 0.00 0.00 55.95 57.76 2jfk s SER 709 Cb -0.32 -1.23 0.80 0.00 0.10 0.00 0.00 66.02 65.37 2jfk s SER 709 CO 0.41 -1.80 1.60 0.00 0.98 0.00 0.00 173.24 174.43 2jfk n ALA 710 N -3.19 1.79 0.17 5.32 0.00 -1.26 -2.60 120.51 120.75 2jfk n ALA 710 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.52 2jfk n ALA 710 Cb 0.61 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 19.05 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 0.00 -4.62 0.00 3.08 -1.93 -3.42 114.38 107.49 2jfk h ARG 711 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 2jfk h ARG 711 Cb 0.34 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.19 2jfk h ARG 711 CO 0.00 0.44 -0.04 -0.46 -1.07 0.00 0.00 179.97 178.84 2jfk s TRP 712 N -3.85 3.10 -0.00 3.04 -0.00 -1.07 -0.79 118.94 119.37 2jfk s TRP 712 Ca -0.02 -0.86 -0.30 0.00 -0.00 0.00 0.00 56.10 54.93 2jfk s TRP 712 Cb 0.13 -3.67 -0.03 0.00 -0.00 0.00 0.00 33.47 29.90 2jfk s TRP 712 CO 0.72 -1.08 0.96 -0.51 -0.00 0.00 0.00 176.95 177.04 2jfk s LEU 713 N 2.32 4.37 0.21 5.86 1.43 -0.64 -4.85 118.68 127.38 2jfk s LEU 713 Ca 0.10 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 2jfk s LEU 713 Cb -0.23 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 2jfk s LEU 713 CO 0.08 -0.25 0.93 -0.55 0.23 0.00 0.00 176.35 176.79 2jfk s SER 714 N 0.98 7.60 -0.00 2.29 0.15 -1.26 -4.38 113.70 119.07 2jfk s SER 714 Ca 0.51 1.89 0.16 0.00 0.70 0.00 0.00 55.95 59.21 2jfk s SER 714 Cb -0.21 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.33 2jfk s SER 714 CO 0.27 0.12 0.66 0.35 1.20 0.00 0.00 173.24 175.85 2jfk n THR 715 N 1.74 0.00 0.57 6.45 -2.24 -1.26 -4.46 114.28 115.07 2jfk n THR 715 Ca -0.02 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 2jfk n THR 715 Cb 0.48 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.41 0.62 -3.98 3.42 3.41 -1.26 0.10 113.62 114.52 2jfk n SER 716 Ca 0.03 -0.17 -0.24 0.00 -0.26 0.00 0.00 58.87 58.22 2jfk n SER 716 Cb 0.26 0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 64.75 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 -3.19 1.03 0.64 -1.33 1.01 -1.26 -4.80 121.20 113.30 2jfk s ILE 717 Ca 0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2jfk s ILE 717 Cb 0.14 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2jfk s ILE 717 CO 0.79 0.34 1.19 -2.84 0.00 0.00 0.00 174.94 174.42 2jfk s PRO 718 N 0.92 2.71 0.36 2.79 0.02 -1.26 -4.78 135.00 135.75 2jfk s PRO 718 Ca -0.10 1.72 0.14 0.00 0.02 0.00 0.00 61.00 62.79 2jfk s PRO 718 Cb -0.15 -1.91 1.01 0.00 0.02 0.00 0.00 34.50 33.48 2jfk s PRO 718 CO 0.01 -1.39 1.73 1.49 -0.33 0.00 0.00 177.00 178.51 2jfk h GLU 719 N 0.40 0.45 0.00 5.54 4.81 -1.98 0.30 114.58 124.10 2jfk h GLU 719 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2jfk h GLU 719 Cb 1.29 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jfk h GLU 719 CO 0.53 0.30 0.05 0.00 -0.73 0.00 0.00 179.01 179.16 2jfk n ALA 720 N -2.38 0.96 -1.51 2.92 0.00 -1.26 -2.20 120.51 117.04 2jfk n ALA 720 Ca 0.27 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.91 2jfk n ALA 720 Cb 0.86 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.01 0.75 0.14 0.00 6.02 0.11 -4.76 117.38 117.64 2jfk n GLN 721 Ca -0.01 -1.99 0.01 0.00 -0.01 0.00 0.00 57.00 55.01 2jfk n GLN 721 Cb 0.07 -1.06 0.34 0.00 1.02 0.00 0.00 30.24 30.61 2jfk n GLN 721 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2jfk h TRP 722 N 0.09 0.15 0.00 1.08 6.55 -1.43 -1.70 115.95 120.69 2jfk h TRP 722 Ca -0.01 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.80 2jfk h TRP 722 Cb 1.19 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.45 2jfk h TRP 722 CO 0.08 0.43 -0.00 1.12 -1.05 0.00 0.00 178.44 179.02 2jfk h HIS 723 N 0.12 0.00 -3.48 0.49 2.07 -1.85 -3.37 115.15 109.12 2jfk h HIS 723 Ca 0.02 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.09 2jfk h HIS 723 Cb 0.60 0.00 0.20 0.00 2.57 0.00 0.00 27.41 30.78 2jfk h HIS 723 CO 0.01 0.00 0.07 -1.54 -3.07 0.00 0.00 177.93 173.40 2jfk s SER 724 N -5.40 1.48 0.20 3.10 1.04 -0.64 -4.75 113.70 108.73 2jfk s SER 724 Ca -0.02 1.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.90 2jfk s SER 724 Cb 0.11 -2.25 0.14 0.00 0.10 0.00 0.00 66.02 64.12 2jfk s SER 724 CO 0.47 -3.89 1.54 0.28 0.98 0.00 0.00 173.24 172.62 2jfk h SER 725 N -2.41 0.63 -0.03 7.02 0.02 -1.89 -0.78 113.55 116.11 2jfk h SER 725 Ca -0.58 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2jfk h SER 725 Cb 1.33 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2jfk h SER 725 CO 0.51 1.01 0.01 0.25 -1.14 0.00 0.00 176.83 177.47 2jfk h LEU 726 N 0.46 0.02 -1.69 5.07 5.85 -1.92 -2.73 115.31 120.37 2jfk h LEU 726 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jfk h LEU 726 Cb 1.01 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2jfk h LEU 726 CO 0.09 0.01 -0.05 0.00 -0.34 0.00 0.00 178.44 178.16 2jfk h ALA 727 N 1.01 1.04 -0.94 1.25 0.00 -1.75 -3.30 119.26 116.59 2jfk h ALA 727 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jfk h ALA 727 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2jfk h ALA 727 CO -0.01 0.07 0.62 -0.09 0.00 0.00 0.00 179.25 179.84 2jfk h ARG 728 N 0.00 1.21 -4.60 0.00 2.43 -0.81 -3.43 114.38 109.18 2jfk h ARG 728 Ca -0.00 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 2jfk h ARG 728 Cb 0.45 -0.27 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 2jfk h ARG 728 CO 0.01 0.80 -0.67 0.95 -1.51 0.00 0.00 179.97 179.54 2jfk s THR 729 N -6.03 0.51 -1.40 0.20 -4.23 -1.24 -1.20 115.64 102.25 2jfk s THR 729 Ca -0.12 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 2jfk s THR 729 Cb 0.18 -1.86 0.08 0.00 1.34 0.00 0.00 72.50 72.24 2jfk s THR 729 CO 0.81 -0.70 2.32 -0.24 -0.54 0.00 0.00 174.62 176.27 2jfk n SER 730 N -0.09 6.46 -4.86 3.99 2.88 -1.12 -4.67 113.62 116.21 2jfk n SER 730 Ca -0.09 -2.96 -0.29 0.00 -1.33 0.00 0.00 58.87 54.20 2jfk n SER 730 Cb 0.62 -1.50 0.10 0.00 -0.75 0.00 0.00 64.21 62.69 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 1.43 4.24 0.43 -3.46 1.04 -1.26 -4.79 113.70 111.32 2jfk s SER 731 Ca 0.51 0.87 0.14 0.00 0.48 0.00 0.00 55.95 57.96 2jfk s SER 731 Cb 0.15 -1.42 1.01 0.00 0.10 0.00 0.00 66.02 65.86 2jfk s SER 731 CO -0.06 -2.08 1.96 0.00 0.98 0.00 0.00 173.24 174.04 2jfk h ALA 732 N -1.18 2.02 -0.30 5.32 0.00 -1.84 -1.34 119.26 121.94 2jfk h ALA 732 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2jfk h ALA 732 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jfk h ALA 732 CO 0.64 -0.17 -0.09 0.93 0.00 0.00 0.00 179.25 180.56 2jfk h GLU 733 N 0.44 0.59 -0.55 0.00 3.07 -1.92 -2.28 114.58 113.93 2jfk h GLU 733 Ca 0.31 -0.23 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 2jfk h GLU 733 Cb 0.61 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 2jfk h GLU 733 CO -0.09 0.79 0.29 -0.92 -1.40 0.00 0.00 179.01 177.68 2jfk h TYR 734 N 0.35 0.54 -0.68 4.33 3.20 -1.61 -0.64 116.97 122.46 2jfk h TYR 734 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2jfk h TYR 734 Cb 0.58 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2jfk h TYR 734 CO 0.05 0.27 0.30 -0.91 -1.64 0.00 0.00 178.16 176.23 2jfk h ASN 735 N 0.57 0.91 -0.41 -2.11 4.21 -1.25 -1.78 115.58 115.72 2jfk h ASN 735 Ca 0.24 -0.15 -0.15 0.00 1.21 0.00 0.00 56.30 57.45 2jfk h ASN 735 Cb 0.13 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2jfk h ASN 735 CO -0.16 0.81 -0.34 0.58 -1.29 0.00 0.00 177.43 177.04 2jfk h VAL 736 N 0.96 1.27 -0.96 2.81 2.07 -1.16 -2.82 116.25 118.41 2jfk h VAL 736 Ca 0.23 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2jfk h VAL 736 Cb 0.16 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2jfk h VAL 736 CO -0.02 0.51 0.63 -1.13 0.02 0.00 0.00 177.57 177.57 2jfk h ASN 737 N 0.79 1.07 -0.49 0.57 -1.24 -0.93 -1.83 115.58 113.52 2jfk h ASN 737 Ca 0.08 -0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.17 2jfk h ASN 737 Cb 0.93 -0.25 -0.10 0.00 0.73 0.00 0.00 38.32 39.62 2jfk h ASN 737 CO 0.09 0.75 -0.17 -1.13 -1.29 0.00 0.00 177.43 175.68 2jfk h ASN 738 N 1.25 -0.60 -0.53 1.15 -0.73 -1.09 0.11 115.58 115.15 2jfk h ASN 738 Ca 0.37 0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.66 2jfk h ASN 738 Cb -0.07 0.36 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 2jfk h ASN 738 CO -0.10 -0.20 0.18 0.25 -0.37 0.00 0.00 177.43 177.19 2jfk h LEU 739 N -0.05 0.80 0.01 0.34 5.85 -1.16 -3.08 115.31 118.02 2jfk h LEU 739 Ca 0.24 -0.13 -0.30 0.00 0.84 0.00 0.00 57.88 58.53 2jfk h LEU 739 Cb 0.42 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2jfk h LEU 739 CO -0.54 0.76 -1.78 0.52 -0.34 0.00 0.00 178.44 177.06 2jfk n VAL 740 N -4.29 1.61 -2.92 1.05 0.31 -1.02 -3.11 118.33 109.96 2jfk n VAL 740 Ca 0.05 -0.79 -0.29 0.00 -0.01 0.00 0.00 64.34 63.29 2jfk n VAL 740 Cb 0.20 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 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 -6.11 6.45 0.94 4.52 0.01 0.37 -3.14 113.70 116.75 2jfk s SER 741 Ca -0.06 1.00 -0.11 0.00 1.31 0.00 0.00 55.95 58.08 2jfk s SER 741 Cb 0.08 -2.27 0.16 0.00 0.21 0.00 0.00 66.02 64.20 2jfk s SER 741 CO 0.82 -0.39 1.10 -2.16 0.41 0.00 0.00 173.24 173.02 2jfk s PRO 742 N -3.96 0.88 -0.55 12.44 0.04 -1.26 -4.68 135.00 137.90 2jfk s PRO 742 Ca 0.49 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 2jfk s PRO 742 Cb -0.10 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.81 2jfk s PRO 742 CO 0.34 -2.61 0.58 0.08 0.04 0.00 0.00 177.00 175.43 2jfk s VAL 743 N -2.71 5.03 -1.31 -0.36 1.01 0.12 -4.49 120.40 117.69 2jfk s VAL 743 Ca 0.65 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 2jfk s VAL 743 Cb -0.21 -4.38 0.13 0.00 0.00 0.00 0.00 36.38 31.92 2jfk s VAL 743 CO 0.59 -0.95 1.86 0.18 0.00 0.00 0.00 175.10 176.77 2jfk n LEU 744 N 5.74 6.31 -0.09 3.92 4.77 0.29 -1.27 117.00 136.67 2jfk n LEU 744 Ca -0.12 -4.45 -0.17 0.00 -0.03 0.00 0.00 56.01 51.24 2jfk n LEU 744 Cb 0.42 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 2jfk n LEU 744 CO 0.55 1.11 -0.42 0.15 -1.33 0.00 0.00 177.39 177.46 2jfk h PHE 745 N 6.19 0.00 -0.77 -1.77 3.57 -1.72 -3.27 116.94 119.16 2jfk h PHE 745 Ca 0.42 0.00 0.17 0.00 3.53 0.00 0.00 57.97 62.09 2jfk h PHE 745 Cb 0.69 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.32 2jfk h PHE 745 CO 1.28 1.11 0.24 0.37 -2.23 0.00 0.00 178.31 179.08 2jfk h GLN 746 N -1.00 0.32 0.00 1.11 5.75 -1.04 -0.83 115.11 119.41 2jfk h GLN 746 Ca -0.25 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 2jfk h GLN 746 Cb 1.08 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2jfk h GLN 746 CO -0.15 0.21 -0.21 1.05 -2.65 0.00 0.00 178.83 177.08 2jfk h GLU 747 N 0.33 0.00 -0.08 1.69 9.09 -1.83 -1.23 114.58 122.55 2jfk h GLU 747 Ca 0.44 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.62 2jfk h GLU 747 Cb 0.76 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.87 2jfk h GLU 747 CO -0.49 0.21 -0.87 0.00 0.05 0.00 0.00 179.01 177.91 2jfk h ALA 748 N 1.79 0.22 0.00 1.06 0.00 -1.24 -3.24 119.26 117.84 2jfk h ALA 748 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2jfk h ALA 748 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jfk h ALA 748 CO 0.03 0.66 -0.21 -0.07 0.00 0.00 0.00 179.25 179.66 2jfk h LEU 749 N 0.44 0.00 -1.46 0.00 3.38 -0.28 -2.15 115.31 115.24 2jfk h LEU 749 Ca -0.09 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.14 2jfk h LEU 749 Cb 1.51 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 2jfk h LEU 749 CO 0.18 0.21 0.67 -0.25 0.09 0.00 0.00 178.44 179.33 2jfk h TRP 750 N 0.00 0.56 0.00 1.13 7.01 -1.30 -0.64 115.95 122.71 2jfk h TRP 750 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2jfk h TRP 750 Cb 0.38 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2jfk h TRP 750 CO 0.00 0.07 0.00 0.45 -2.79 0.00 0.00 178.44 176.17 2jfk h HIS 751 N 0.35 0.00 -2.65 2.65 3.86 -1.54 -3.45 115.15 114.37 2jfk h HIS 751 Ca 0.56 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.23 2jfk h HIS 751 Cb 1.51 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.99 2jfk h HIS 751 CO -0.00 0.00 1.03 0.08 0.86 0.00 0.00 177.93 179.90 2jfk s VAL 752 N -3.27 3.27 1.15 2.45 1.01 -0.25 -4.97 120.40 119.79 2jfk s VAL 752 Ca 0.07 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2jfk s VAL 752 Cb 0.08 -3.37 0.26 0.00 0.00 0.00 0.00 36.38 33.36 2jfk s VAL 752 CO 0.60 -0.02 1.09 -2.16 0.00 0.00 0.00 175.10 174.62 2jfk s PRO 753 N 3.24 -0.80 0.26 2.72 0.04 -1.26 -4.74 135.00 134.45 2jfk s PRO 753 Ca 0.74 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.94 2jfk s PRO 753 Cb -0.37 -1.63 0.35 0.00 0.04 0.00 0.00 34.50 32.89 2jfk s PRO 753 CO 0.32 -3.47 1.69 1.49 0.04 0.00 0.00 177.00 177.06 2jfk h GLU 754 N -2.42 0.54 -0.57 4.56 4.57 -1.96 -3.11 114.58 116.19 2jfk h GLU 754 Ca -0.49 -0.21 -0.38 0.00 -1.18 0.00 0.00 59.36 57.10 2jfk h GLU 754 Cb 1.31 -0.03 -0.24 0.00 -0.16 0.00 0.00 28.75 29.63 2jfk h GLU 754 CO 0.42 0.76 -0.22 0.72 -1.18 0.00 0.00 179.01 179.51 2jfk n HIS 755 N -4.11 1.93 -2.17 0.92 8.25 -1.26 -3.62 115.22 115.16 2jfk n HIS 755 Ca -0.00 -2.04 -0.37 0.00 -0.26 0.00 0.00 57.72 55.05 2jfk n HIS 755 Cb 0.42 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 -3.47 2.87 -0.24 -1.41 0.00 -1.18 -4.29 121.76 114.04 2jfk s ALA 756 Ca 0.50 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.37 2jfk s ALA 756 Cb 0.42 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2jfk s ALA 756 CO 0.01 -0.82 0.05 0.08 0.00 0.00 0.00 175.76 175.08 2jfk s VAL 757 N -1.55 4.14 -0.17 0.00 1.01 0.59 -1.36 120.40 123.04 2jfk s VAL 757 Ca 0.67 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 2jfk s VAL 757 Cb -0.30 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2jfk s VAL 757 CO 0.35 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.97 2jfk s VAL 758 N 1.57 2.57 -0.31 2.92 1.01 0.12 -1.09 120.40 127.18 2jfk s VAL 758 Ca 0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2jfk s VAL 758 Cb -0.15 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2jfk s VAL 758 CO 0.02 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 174.99 2jfk s LEU 759 N 1.09 4.03 0.01 3.92 1.43 -0.41 -0.22 118.68 128.53 2jfk s LEU 759 Ca -0.00 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 2jfk s LEU 759 Cb -0.14 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2jfk s LEU 759 CO -0.05 -0.21 1.42 -0.70 0.23 0.00 0.00 176.35 177.04 2jfk s GLU 760 N 1.54 4.28 -0.33 1.70 2.12 -0.11 -1.91 118.70 125.98 2jfk s GLU 760 Ca 0.03 2.00 -0.02 0.00 0.36 0.00 0.00 54.97 57.33 2jfk s GLU 760 Cb -0.17 -3.57 0.06 0.00 0.26 0.00 0.00 34.13 30.70 2jfk s GLU 760 CO 0.04 -0.59 0.05 0.42 -0.54 0.00 0.00 175.26 174.65 2jfk s ILE 761 N 2.40 3.14 -0.24 -3.70 1.01 0.20 -3.84 121.20 120.17 2jfk s ILE 761 Ca 0.65 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 2jfk s ILE 761 Cb -0.32 -2.87 0.17 0.00 0.01 0.00 0.00 42.46 39.45 2jfk s ILE 761 CO 0.27 -0.23 1.23 0.00 0.00 0.00 0.00 174.94 176.21 2jfk s ALA 762 N 1.25 -2.06 0.52 9.38 0.00 -1.26 -1.86 121.76 127.72 2jfk s ALA 762 Ca -0.02 1.78 0.29 0.00 0.00 0.00 0.00 51.96 54.01 2jfk s ALA 762 Cb -0.20 -1.27 1.69 0.00 0.00 0.00 0.00 23.12 23.34 2jfk s ALA 762 CO -0.01 -0.25 2.18 -1.00 0.00 0.00 0.00 175.76 176.68 2jfk h PRO 763 N 2.39 0.00 -3.38 0.00 0.13 -1.88 -3.36 132.00 125.90 2jfk h PRO 763 Ca -0.14 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.74 2jfk h PRO 763 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 2jfk h PRO 763 CO 0.24 0.05 -0.65 -1.58 -0.23 0.00 0.00 178.00 175.84 2jfk s HIS 764 N -4.42 -0.09 -1.35 1.56 5.65 -1.25 -3.98 115.29 111.42 2jfk s HIS 764 Ca -0.04 0.32 -0.14 0.00 0.25 0.00 0.00 55.06 55.45 2jfk s HIS 764 Cb 0.14 -0.12 0.09 0.00 -1.18 0.00 0.00 32.58 31.51 2jfk s HIS 764 CO 0.56 -0.12 1.92 0.00 -0.65 0.00 0.00 174.74 176.44 2jfk n ALA 765 N 4.03 4.72 0.15 1.58 0.00 -0.96 -4.72 120.51 125.32 2jfk n ALA 765 Ca -0.25 -4.01 0.01 0.00 0.00 0.00 0.00 53.44 49.20 2jfk n ALA 765 Cb 0.52 -3.39 0.17 0.00 0.00 0.00 0.00 19.45 16.76 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 10.28 0.00 -0.34 0.00 5.85 -1.95 -3.10 115.31 126.05 2jfk h LEU 766 Ca 0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.19 2jfk h LEU 766 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jfk h LEU 766 CO 1.63 0.56 -0.01 0.18 -0.34 0.00 0.00 178.44 180.46 2jfk n LEU 767 N -3.53 0.53 -0.16 2.25 4.77 -1.26 -4.34 117.00 115.26 2jfk n LEU 767 Ca -0.00 -0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.78 2jfk n LEU 767 Cb 0.64 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2jfk n LEU 767 CO 0.40 0.09 0.71 1.56 -1.33 0.00 0.00 177.39 178.82 2jfk h GLN 768 N 0.82 -0.09 -0.17 3.23 1.08 -1.95 0.34 115.11 118.37 2jfk h GLN 768 Ca 0.00 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2jfk h GLN 768 Cb 0.19 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jfk h GLN 768 CO 0.00 -0.06 0.03 0.00 -0.95 0.00 0.00 178.83 177.85 2jfk h ALA 769 N 1.27 0.22 -0.84 3.87 0.00 -1.87 -0.83 119.26 121.09 2jfk h ALA 769 Ca 0.24 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2jfk h ALA 769 Cb 0.46 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2jfk h ALA 769 CO -0.56 -0.13 0.48 0.28 0.00 0.00 0.00 179.25 179.32 2jfk h VAL 770 N 0.07 0.91 -0.28 0.00 2.07 -1.64 -2.42 116.25 114.96 2jfk h VAL 770 Ca 0.05 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2jfk h VAL 770 Cb 0.29 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2jfk h VAL 770 CO 0.00 0.15 -0.47 -0.07 0.02 0.00 0.00 177.57 177.20 2jfk h LEU 771 N 0.81 0.81 -0.70 2.57 3.38 0.04 0.85 115.31 123.07 2jfk h LEU 771 Ca 0.41 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jfk h LEU 771 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jfk h LEU 771 CO -0.25 1.15 0.41 0.11 0.09 0.00 0.00 178.44 179.95 2jfk h LYS 772 N 0.59 0.96 -0.43 1.13 1.57 -0.96 -1.67 116.57 117.76 2jfk h LYS 772 Ca 0.03 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2jfk h LYS 772 Cb 1.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2jfk h LYS 772 CO 0.10 0.69 -0.17 0.00 -0.57 0.00 0.00 179.45 179.50 2jfk h ARG 773 N 0.95 0.88 0.00 3.15 3.08 -1.31 -3.35 114.38 117.78 2jfk h ARG 773 Ca 0.25 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jfk h ARG 773 Cb -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2jfk h ARG 773 CO -0.04 1.01 -0.19 0.78 -1.07 0.00 0.00 179.97 180.46 2jfk h GLY 774 N 0.71 0.00 -2.27 0.04 0.00 -0.58 -3.47 103.07 97.50 2jfk h GLY 774 Ca 0.10 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.93 2jfk h GLY 774 CO 0.06 0.00 -0.41 1.08 0.00 0.00 0.00 176.54 177.27 2jfk s LEU 775 N -5.33 3.43 0.61 3.11 1.43 -0.65 -4.68 118.68 116.60 2jfk s LEU 775 Ca 0.07 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.29 2jfk s LEU 775 Cb 0.09 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2jfk s LEU 775 CO 0.67 -0.55 1.31 -0.54 0.23 0.00 0.00 176.35 177.47 2jfk s LYS 776 N -4.07 2.79 0.45 1.70 3.01 -1.26 -4.86 119.74 117.49 2jfk s LYS 776 Ca 0.45 2.12 0.31 0.00 -1.01 0.00 0.00 55.97 57.84 2jfk s LYS 776 Cb -0.04 -2.00 1.53 0.00 -1.01 0.00 0.00 37.83 36.32 2jfk s LYS 776 CO 0.27 -1.43 1.94 -1.00 0.51 0.00 0.00 175.35 175.64 2jfk h PRO 777 N 0.90 0.00 -0.06 -1.68 0.13 -1.89 -2.56 132.00 126.83 2jfk h PRO 777 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jfk h PRO 777 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2jfk h PRO 777 CO 0.55 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.19 2jfk n SER 778 N -2.64 1.34 -4.81 1.44 3.41 -1.26 -4.87 113.62 106.23 2jfk n SER 778 Ca -0.01 -1.52 -0.34 0.00 -0.26 0.00 0.00 58.87 56.75 2jfk n SER 778 Cb 0.14 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 2jfk n SER 778 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfk s THR 780 N -2.08 4.16 -0.17 0.00 2.01 -0.47 -4.99 115.64 114.11 2jfk s THR 780 Ca 0.62 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 2jfk s THR 780 Cb -0.12 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 2jfk s THR 780 CO 0.16 0.49 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.82 2jfk s ILE 781 N 0.27 2.84 -0.16 1.82 1.01 -1.26 0.10 121.20 125.82 2jfk s ILE 781 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2jfk s ILE 781 Cb -0.13 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2jfk s ILE 781 CO 0.02 0.50 -0.13 -0.63 0.00 0.00 0.00 174.94 174.70 2jfk s ILE 782 N 0.92 1.55 0.36 2.92 1.01 0.70 -4.97 121.20 123.68 2jfk s ILE 782 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2jfk s ILE 782 Cb -0.15 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 2jfk s ILE 782 CO -0.01 0.37 0.75 -2.16 0.00 0.00 0.00 174.94 173.89 2jfk s PRO 783 N 1.48 3.89 -0.03 2.79 0.04 -1.26 -0.94 135.00 140.97 2jfk s PRO 783 Ca 0.03 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.69 2jfk s PRO 783 Cb -0.14 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 2jfk s PRO 783 CO -0.10 0.06 0.08 1.28 0.04 0.00 0.00 177.00 178.36 2jfk n LEU 784 N -0.84 0.00 -4.04 -3.56 4.77 -1.25 -4.64 117.00 107.44 2jfk n LEU 784 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 2jfk n LEU 784 Cb 0.54 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2jfk n LEU 784 CO 0.44 0.05 -0.36 -0.04 -1.33 0.00 0.00 177.39 176.16 2jfk s MET 785 N -2.28 0.47 -0.03 3.23 -1.94 -1.26 -3.59 119.30 113.90 2jfk s MET 785 Ca -0.02 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 2jfk s MET 785 Cb 0.03 0.16 0.00 0.00 2.01 0.00 0.00 34.83 37.03 2jfk s MET 785 CO 0.22 -0.08 -0.11 0.21 -0.01 0.00 0.00 175.02 175.25 2jfk s LYS 786 N -2.80 1.22 0.00 2.03 2.47 -1.26 -2.26 119.74 119.15 2jfk s LYS 786 Ca -0.03 -0.39 -0.36 0.00 -1.56 0.00 0.00 55.97 53.63 2jfk s LYS 786 Cb -0.00 -1.10 -0.14 0.00 -1.46 0.00 0.00 37.83 35.12 2jfk s LYS 786 CO -0.06 0.14 1.65 0.36 0.16 0.00 0.00 175.35 177.60 2jfk n LYS 787 N 3.30 1.80 -1.46 4.03 0.00 -1.26 -2.51 118.16 122.05 2jfk n LYS 787 Ca -0.19 0.65 -0.16 0.00 -0.00 0.00 0.00 58.31 58.62 2jfk n LYS 787 Cb 0.54 -2.41 -0.07 0.00 -0.00 0.00 0.00 35.03 33.09 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 4.52 -5.57 -4.75 -5.58 8.00 -1.26 -4.94 116.55 106.96 2jfk n ASP 788 Ca 0.20 0.39 -0.40 0.00 0.71 0.00 0.00 54.79 55.70 2jfk n ASP 788 Cb 0.24 -4.47 0.02 0.00 -0.02 0.00 0.00 41.12 36.89 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 -2.32 2.57 -0.13 1.24 -0.00 -1.04 -4.88 115.22 110.66 2jfk n HIS 789 Ca -0.16 0.44 0.14 0.00 0.46 0.00 0.00 57.72 58.61 2jfk n HIS 789 Cb 0.63 -2.43 0.51 0.00 -0.12 0.00 0.00 29.99 28.57 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 2.12 0.39 -0.99 1.57 -0.00 -1.92 -3.39 114.38 112.17 2jfk h ARG 790 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.45 2jfk h ARG 790 Cb 1.28 -0.09 -0.20 0.00 -0.00 0.00 0.00 29.97 30.96 2jfk h ARG 790 CO 0.60 0.26 -0.40 0.34 -0.00 0.00 0.00 179.97 180.77 2jfk s ASP 791 N -6.06 -1.58 0.18 0.08 3.68 -1.26 -5.04 116.67 106.66 2jfk s ASP 791 Ca -0.08 -0.16 0.25 0.00 2.13 0.00 0.00 52.55 54.69 2jfk s ASP 791 Cb 0.20 1.99 0.91 0.00 -1.45 0.00 0.00 42.92 44.58 2jfk s ASP 791 CO 0.76 -0.25 1.75 0.59 0.13 0.00 0.00 175.17 178.15 2jfk n ASN 792 N 5.05 0.57 0.01 -0.34 3.02 -1.26 -2.38 115.26 119.93 2jfk n ASN 792 Ca 0.07 0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 55.09 2jfk n ASN 792 Cb 0.55 -0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.69 -0.39 3.41 5.85 -1.94 0.16 115.31 123.09 2jfk h LEU 793 Ca 0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2jfk h LEU 793 Cb 0.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2jfk h LEU 793 CO 0.00 1.19 0.19 -0.08 -0.34 0.00 0.00 178.44 179.40 2jfk h GLU 794 N 0.42 0.56 -0.36 1.25 4.81 -1.88 -1.55 114.58 117.83 2jfk h GLU 794 Ca -0.03 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2jfk h GLU 794 Cb 1.29 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2jfk h GLU 794 CO 0.13 0.49 0.00 0.35 -0.73 0.00 0.00 179.01 179.25 2jfk h PHE 795 N 0.50 0.69 0.01 0.92 3.04 -1.34 0.41 116.94 121.16 2jfk h PHE 795 Ca 0.14 -0.12 0.02 0.00 3.98 0.00 0.00 57.97 61.98 2jfk h PHE 795 Cb 0.11 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.42 2jfk h PHE 795 CO -0.02 0.73 -0.10 0.35 -2.02 0.00 0.00 178.31 177.25 2jfk h PHE 796 N 0.44 -0.25 -0.52 0.41 3.57 -0.66 -1.50 116.94 118.42 2jfk h PHE 796 Ca 0.10 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2jfk h PHE 796 Cb 0.45 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2jfk h PHE 796 CO 0.04 -0.15 0.10 -0.07 -2.23 0.00 0.00 178.31 175.99 2jfk h LEU 797 N -0.17 0.77 -0.92 0.59 3.38 -1.10 -0.57 115.31 117.29 2jfk h LEU 797 Ca 0.04 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2jfk h LEU 797 Cb 0.22 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2jfk h LEU 797 CO -0.10 0.78 0.58 0.00 0.09 0.00 0.00 178.44 179.80 2jfk h ALA 798 N 1.32 1.27 -0.34 1.53 0.00 -0.59 0.27 119.26 122.72 2jfk h ALA 798 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jfk h ALA 798 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jfk h ALA 798 CO 0.00 0.35 0.05 0.78 0.00 0.00 0.00 179.25 180.44 2jfk h GLY 799 N 1.06 0.61 1.00 0.00 0.00 -0.21 -1.67 103.07 103.86 2jfk h GLY 799 Ca 0.40 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2jfk h GLY 799 CO -0.17 0.38 0.66 -2.22 0.00 0.00 0.00 176.54 175.19 2jfk h ILE 800 N 0.40 1.24 -0.84 2.60 1.08 -0.80 -1.70 117.51 119.49 2jfk h ILE 800 Ca 0.10 -0.46 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 2jfk h ILE 800 Cb 0.37 -0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 33.85 2jfk h ILE 800 CO 0.01 0.24 0.55 1.23 -0.69 0.00 0.00 178.15 179.49 2jfk h GLY 801 N 1.33 1.16 2.00 5.37 0.00 -0.03 -2.04 103.07 110.86 2jfk h GLY 801 Ca 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2jfk h GLY 801 CO -0.09 0.20 -0.08 3.21 0.00 0.00 0.00 176.54 179.79 2jfk h ARG 802 N 0.83 0.00 -0.49 4.80 3.08 -0.38 -2.36 114.38 119.85 2jfk h ARG 802 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 2jfk h ARG 802 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2jfk h ARG 802 CO -0.15 0.08 0.22 -0.07 -1.07 0.00 0.00 179.97 178.97 2jfk h LEU 803 N 0.00 0.66 0.44 3.04 3.38 -1.11 -1.95 115.31 119.77 2jfk h LEU 803 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2jfk h LEU 803 Cb 0.69 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2jfk h LEU 803 CO 0.01 0.63 -0.38 -0.74 0.09 0.00 0.00 178.44 178.05 2jfk h HIS 804 N 0.65 -1.02 -0.35 1.13 2.76 -1.34 0.13 115.15 117.11 2jfk h HIS 804 Ca 0.17 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.44 2jfk h HIS 804 Cb 0.16 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2jfk h HIS 804 CO -0.00 -0.54 0.40 -0.07 -1.30 0.00 0.00 177.93 176.42 2jfk h LEU 805 N -0.82 0.00 -3.06 0.26 3.38 -1.36 0.43 115.31 114.14 2jfk h LEU 805 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jfk h LEU 805 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jfk h LEU 805 CO -0.03 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 2jfk n SER 806 N -3.68 4.25 0.00 -0.43 3.41 -0.74 -4.66 113.62 111.77 2jfk n SER 806 Ca 0.06 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 2jfk n SER 806 Cb 0.56 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.90 0.57 3.80 5.00 0.00 0.14 -4.90 105.19 110.70 2jfk n GLY 807 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.06 5.17 -0.56 -0.61 -1.09 0.42 -4.96 121.20 117.52 2jfk s ILE 808 Ca 0.00 0.72 -0.23 0.00 -2.23 0.00 0.00 60.65 58.91 2jfk s ILE 808 Cb 0.00 -3.67 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 2jfk s ILE 808 CO 0.00 0.50 0.89 -0.62 -1.23 0.00 0.00 174.94 174.48 2jfk s ASP 809 N -0.46 6.29 -0.29 3.58 2.15 -1.26 -3.56 116.67 123.11 2jfk s ASP 809 Ca 0.21 -0.58 -0.01 0.00 0.43 0.00 0.00 52.55 52.60 2jfk s ASP 809 Cb -0.15 -2.41 0.09 0.00 -0.30 0.00 0.00 42.92 40.16 2jfk s ASP 809 CO 0.10 -1.21 0.08 0.00 -0.17 0.00 0.00 175.17 173.97 2jfk s ALA 810 N 3.73 1.51 -0.35 3.66 0.00 -1.26 -4.88 121.76 124.17 2jfk s ALA 810 Ca 0.26 -1.53 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 2jfk s ALA 810 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2jfk s ALA 810 CO 0.16 -1.57 0.72 1.21 0.00 0.00 0.00 175.76 176.28 2jfk s ASN 811 N 1.63 6.52 0.32 0.00 3.84 -1.26 -4.90 114.94 121.09 2jfk s ASN 811 Ca 0.07 0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.72 2jfk s ASN 811 Cb -0.17 -2.37 1.15 0.00 -0.55 0.00 0.00 41.25 39.31 2jfk s ASN 811 CO -0.21 -0.64 1.73 -0.65 -2.79 0.00 0.00 177.10 174.54 2jfk h PRO 812 N 8.39 0.00 -0.90 0.43 0.11 -1.96 -3.15 132.00 134.92 2jfk h PRO 812 Ca -0.25 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.06 2jfk h PRO 812 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2jfk h PRO 812 CO 0.87 0.00 0.59 -0.91 -0.21 0.00 0.00 178.00 178.34 2jfk h ASN 813 N 0.00 0.43 -0.56 -2.05 2.35 -1.91 0.77 115.58 114.61 2jfk h ASN 813 Ca 0.00 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2jfk h ASN 813 Cb 0.20 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2jfk h ASN 813 CO 0.00 0.17 0.37 0.00 -1.65 0.00 0.00 177.43 176.32 2jfk h ALA 814 N 1.61 1.62 0.00 -0.83 0.00 -1.85 -2.65 119.26 117.16 2jfk h ALA 814 Ca 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2jfk h ALA 814 Cb 1.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jfk h ALA 814 CO -0.18 0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 2jfk h LEU 815 N 0.74 0.00 -9.48 0.00 3.38 -1.08 -3.45 115.31 105.42 2jfk h LEU 815 Ca 0.21 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.58 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 -0.05 0.02 -0.66 -0.36 0.09 0.00 0.00 178.44 177.48 2jfk s PHE 816 N -3.89 2.48 0.54 1.13 0.40 -1.00 -4.43 117.98 113.20 2jfk s PHE 816 Ca -0.01 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.68 2jfk s PHE 816 Cb 0.11 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 42.25 2jfk s PHE 816 CO 0.50 0.56 1.37 -2.30 0.70 0.00 0.00 175.22 176.06 2jfk n PRO 817 N -0.84 1.75 -1.24 0.24 -0.02 -1.26 -4.95 135.00 128.67 2jfk n PRO 817 Ca -0.05 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 2jfk n PRO 817 Cb 0.62 -2.59 0.10 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.87 2.15 -0.00 0.52 0.04 -1.26 -5.00 135.00 128.58 2jfk s PRO 818 Ca 0.71 1.25 0.13 0.00 0.04 0.00 0.00 61.00 63.13 2jfk s PRO 818 Cb -0.42 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.10 2jfk s PRO 818 CO 0.50 -1.74 0.53 1.33 0.04 0.00 0.00 177.00 177.66 2jfk n VAL 819 N -3.49 0.00 -3.95 -0.36 0.24 -1.26 -4.97 118.33 104.53 2jfk n VAL 819 Ca 0.10 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 2jfk n VAL 819 Cb 0.53 0.96 -0.12 0.00 -1.47 0.00 0.00 33.84 33.73 2jfk n VAL 819 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2jfk s GLU 820 N -2.24 0.21 0.03 7.34 2.02 -1.26 -4.95 118.70 119.85 2jfk s GLU 820 Ca 0.04 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 2jfk s GLU 820 Cb 0.10 0.00 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 2jfk s GLU 820 CO 0.53 -0.01 1.32 -0.06 0.02 0.00 0.00 175.26 177.05 2jfk s PHE 821 N -0.79 3.14 0.00 1.61 0.40 -1.26 -5.03 117.98 116.05 2jfk s PHE 821 Ca -0.08 1.03 0.00 0.00 -0.60 0.00 0.00 56.93 57.28 2jfk s PHE 821 Cb -0.06 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.91 2jfk s PHE 821 CO -0.00 -1.96 0.00 -0.35 0.70 0.00 0.00 175.22 173.60 2jfk n PRO 822 N 4.64 0.45 -0.28 0.24 -0.04 -1.26 -5.25 135.00 133.50 2jfk n PRO 822 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2jfk n PRO 822 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2jfk n PRO 822 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46