#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfk n GLY 412 N 0.00 1.33 0.27 1.47 0.00 -1.26 -4.80 105.19 102.19 2jfk n GLY 412 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jfk n GLY 412 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jfk h THR 413 N 0.00 1.06 -0.84 2.61 2.02 -2.03 -2.78 112.91 112.95 2jfk h THR 413 Ca 0.00 -0.27 0.14 0.00 0.77 0.00 0.00 66.41 67.05 2jfk h THR 413 Cb 0.00 0.19 -0.15 0.00 -1.74 0.00 0.00 68.15 66.45 2jfk h THR 413 CO 0.00 0.15 -0.33 -0.33 0.37 0.00 0.00 175.52 175.38 2jfk h GLU 414 N 0.80 -0.05 -0.14 6.66 5.08 -1.95 -0.84 114.58 124.14 2jfk h GLU 414 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2jfk h GLU 414 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jfk h GLU 414 CO -0.13 -0.03 -0.07 -0.97 -1.00 0.00 0.00 179.01 176.82 2jfk h ASN 415 N -0.05 0.19 0.36 1.42 -1.24 -1.74 -1.76 115.58 112.77 2jfk h ASN 415 Ca 0.33 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.27 2jfk h ASN 415 Cb 0.59 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 2jfk h ASN 415 CO -0.87 0.30 -0.20 -0.07 -1.29 0.00 0.00 177.43 175.30 2jfk h LEU 416 N 0.21 0.00 -3.88 0.34 4.07 -0.91 -2.51 115.31 112.62 2jfk h LEU 416 Ca 0.05 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.51 2jfk h LEU 416 Cb 0.26 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 41.72 2jfk h LEU 416 CO 0.01 0.20 0.53 -1.22 -1.08 0.00 0.00 178.44 176.88 2jfk n TYR 417 N -3.88 2.77 0.00 1.13 4.02 -0.68 -4.97 117.16 115.54 2jfk n TYR 417 Ca -0.02 -2.07 0.00 0.00 -0.01 0.00 0.00 57.90 55.81 2jfk n TYR 417 Cb 0.29 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 38.65 2jfk n TYR 417 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2jfk n PHE 418 N -1.09 0.00 0.00 -0.72 -1.74 -0.95 -4.73 117.46 108.23 2jfk n PHE 418 Ca 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.45 2jfk n PHE 418 Cb 1.34 0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.34 2jfk n PHE 418 CO 0.00 0.00 0.00 0.94 -0.56 0.00 0.00 176.76 177.14 2jfk n GLN 419 N 0.00 0.00 -0.06 3.97 -0.06 -1.18 -3.44 117.38 116.61 2jfk n GLN 419 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 2jfk n GLN 419 Cb 0.00 0.00 0.37 0.00 -4.06 0.00 0.00 30.24 26.55 2jfk n GLN 419 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2jfk n SER 420 N 0.65 2.00 -4.71 1.69 3.41 -1.26 -4.94 113.62 110.46 2jfk n SER 420 Ca 0.00 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 2jfk n SER 420 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 2jfk n SER 420 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2jfk s MET 421 N -1.84 4.17 0.09 4.33 -2.45 -1.22 -4.87 119.30 117.51 2jfk s MET 421 Ca 0.34 2.47 0.02 0.00 -1.25 0.00 0.00 55.69 57.27 2jfk s MET 421 Cb 0.19 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.90 2jfk s MET 421 CO 0.30 -0.73 -0.07 1.03 1.05 0.00 0.00 175.02 176.60 2jfk s ARG 422 N 1.87 0.77 -0.15 4.11 1.81 -0.81 -5.00 118.95 121.55 2jfk s ARG 422 Ca 0.75 -1.20 -0.14 0.00 -1.72 0.00 0.00 55.73 53.41 2jfk s ARG 422 Cb -0.45 -0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 33.77 2jfk s ARG 422 CO 0.33 0.00 0.33 -1.17 -0.68 0.00 0.00 175.30 174.11 2jfk s LEU 423 N -2.70 4.26 -0.19 2.53 2.96 -1.26 -0.36 118.68 123.91 2jfk s LEU 423 Ca 0.07 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2jfk s LEU 423 Cb 0.02 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2jfk s LEU 423 CO -0.03 0.10 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.75 2jfk s LEU 424 N 0.41 2.52 -0.03 -0.68 2.96 -0.08 -4.88 118.68 118.90 2jfk s LEU 424 Ca 0.18 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2jfk s LEU 424 Cb -0.13 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 2jfk s LEU 424 CO 0.05 0.01 -0.01 0.00 -1.32 0.00 0.00 176.35 175.09 2jfk s ARG 425 N 1.26 2.84 0.12 1.98 1.70 -1.26 -0.91 118.95 124.67 2jfk s ARG 425 Ca 0.03 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 54.78 2jfk s ARG 425 Cb -0.14 -2.70 -0.04 0.00 -0.57 0.00 0.00 34.95 31.50 2jfk s ARG 425 CO -0.06 0.65 -0.09 0.00 -1.08 0.00 0.00 175.30 174.72 2jfk s ALA 426 N -1.00 1.20 0.05 7.88 0.00 0.66 -4.54 121.76 126.02 2jfk s ALA 426 Ca 0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 2jfk s ALA 426 Cb -0.11 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2jfk s ALA 426 CO 0.07 -0.11 0.10 -1.12 0.00 0.00 0.00 175.76 174.70 2jfk s SER 427 N -2.86 0.21 -0.09 0.00 0.01 -1.26 -1.27 113.70 108.44 2jfk s SER 427 Ca 0.11 -0.64 -0.32 0.00 1.31 0.00 0.00 55.95 56.41 2jfk s SER 427 Cb 0.01 0.26 0.12 0.00 0.21 0.00 0.00 66.02 66.62 2jfk s SER 427 CO -0.01 -0.59 1.40 -0.83 0.41 0.00 0.00 173.24 173.63 2jfk s GLY 428 N -2.46 -0.36 0.33 3.44 0.00 -0.40 -4.60 107.32 103.27 2jfk s GLY 428 Ca -0.00 0.57 0.24 0.00 0.00 0.00 0.00 44.72 45.52 2jfk s GLY 428 CO -0.07 3.41 1.56 3.21 0.00 0.00 0.00 173.10 181.21 2jfk h ARG 429 N 2.00 0.00 -4.21 2.90 3.08 -1.86 -2.47 114.38 113.82 2jfk h ARG 429 Ca -0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 2jfk h ARG 429 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.06 2jfk h ARG 429 CO 0.30 0.00 -0.69 0.95 -1.07 0.00 0.00 179.97 179.46 2jfk s THR 430 N -3.20 0.23 0.00 2.04 -4.23 -1.26 -4.76 115.64 104.46 2jfk s THR 430 Ca 0.07 -1.56 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 2jfk s THR 430 Cb 0.08 -1.17 0.34 0.00 1.34 0.00 0.00 72.50 73.09 2jfk s THR 430 CO 0.67 -0.84 1.94 1.55 -0.54 0.00 0.00 174.62 177.40 2jfk h PRO 431 N 3.57 0.00 0.01 3.99 0.13 -1.94 -2.68 132.00 135.08 2jfk h PRO 431 Ca -0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2jfk h PRO 431 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jfk h PRO 431 CO 0.59 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 179.15 2jfk h GLU 432 N 0.00 0.07 -1.02 0.86 3.07 -1.98 -1.59 114.58 113.99 2jfk h GLU 432 Ca 0.00 -0.09 0.25 0.00 -0.50 0.00 0.00 59.36 59.02 2jfk h GLU 432 Cb 0.32 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.15 2jfk h GLU 432 CO 0.00 0.93 0.63 0.00 -1.40 0.00 0.00 179.01 179.17 2jfk h ALA 433 N 0.14 1.97 0.15 3.43 0.00 -1.90 0.19 119.26 123.25 2jfk h ALA 433 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jfk h ALA 433 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jfk h ALA 433 CO 0.03 -0.41 -0.07 0.28 0.00 0.00 0.00 179.25 179.07 2jfk h VAL 434 N 0.51 0.96 -0.78 0.00 2.07 -1.46 -2.42 116.25 115.13 2jfk h VAL 434 Ca 0.62 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2jfk h VAL 434 Cb 1.33 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 2jfk h VAL 434 CO -0.40 0.22 0.42 1.56 0.02 0.00 0.00 177.57 179.40 2jfk h GLN 435 N -0.76 0.68 -0.58 1.57 4.20 -0.15 0.18 115.11 120.24 2jfk h GLN 435 Ca -0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2jfk h GLN 435 Cb 0.52 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2jfk h GLN 435 CO 0.03 0.45 0.38 0.87 -0.67 0.00 0.00 178.83 179.89 2jfk h LYS 436 N 0.70 0.74 -0.37 1.46 1.57 -0.75 0.31 116.57 120.22 2jfk h LYS 436 Ca 0.38 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 2jfk h LYS 436 Cb 0.39 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2jfk h LYS 436 CO -0.27 0.49 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.89 2jfk h LEU 437 N 0.76 0.66 -0.09 2.94 3.38 -0.32 -1.54 115.31 121.11 2jfk h LEU 437 Ca 0.22 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2jfk h LEU 437 Cb -0.05 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.53 2jfk h LEU 437 CO -0.07 0.83 -0.51 -0.07 0.09 0.00 0.00 178.44 178.71 2jfk h LEU 438 N 0.61 0.60 -0.51 1.67 3.38 -0.50 -3.00 115.31 117.56 2jfk h LEU 438 Ca 0.10 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.47 2jfk h LEU 438 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2jfk h LEU 438 CO 0.04 1.16 0.22 -0.33 0.09 0.00 0.00 178.44 179.62 2jfk h GLU 439 N 0.07 0.41 -0.87 1.13 5.08 -0.23 0.11 114.58 120.29 2jfk h GLU 439 Ca -0.04 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2jfk h GLU 439 Cb 1.16 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 2jfk h GLU 439 CO 0.10 0.27 0.57 1.96 -1.00 0.00 0.00 179.01 180.91 2jfk h GLN 440 N 0.42 0.93 -0.37 2.33 1.08 -1.34 -0.60 115.11 117.57 2jfk h GLN 440 Ca 0.24 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 2jfk h GLN 440 Cb 0.20 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jfk h GLN 440 CO -0.20 0.62 -0.23 0.78 -0.95 0.00 0.00 178.83 178.84 2jfk h GLY 441 N 0.96 0.87 0.61 3.46 0.00 -0.70 -2.45 103.07 105.83 2jfk h GLY 441 Ca 0.38 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.93 2jfk h GLY 441 CO -0.14 0.74 0.03 -2.00 0.00 0.00 0.00 176.54 175.17 2jfk h LEU 442 N 0.60 -0.05 0.00 3.11 5.85 -0.18 0.69 115.31 125.32 2jfk h LEU 442 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jfk h LEU 442 Cb 0.79 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2jfk h LEU 442 CO 0.06 0.01 0.00 -2.11 -0.34 0.00 0.00 178.44 176.06 2jfk n ARG 443 N -5.12 0.38 -1.47 1.25 1.85 -0.32 -2.00 116.66 111.23 2jfk n ARG 443 Ca -0.00 0.07 -0.02 0.00 -1.00 0.00 0.00 57.85 56.90 2jfk n ARG 443 Cb 0.14 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.14 2jfk n ARG 443 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2jfk n HIS 444 N -1.23 0.79 -0.34 2.89 8.25 -0.66 -4.91 115.22 120.01 2jfk n HIS 444 Ca 0.11 -1.50 0.32 0.00 -0.26 0.00 0.00 57.72 56.39 2jfk n HIS 444 Cb 0.15 -0.24 0.66 0.00 1.12 0.00 0.00 29.99 31.68 2jfk n HIS 444 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jfk h SER 445 N 1.49 0.17 0.16 0.41 4.64 -0.26 -0.43 113.55 119.73 2jfk h SER 445 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jfk h SER 445 Cb 1.39 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2jfk h SER 445 CO 0.22 0.02 -0.26 0.00 -0.87 0.00 0.00 176.83 175.93 2jfk n GLN 446 N -4.36 1.03 -3.09 4.77 3.00 -1.26 -4.70 117.38 112.78 2jfk n GLN 446 Ca 0.27 -0.67 -0.45 0.00 -0.01 0.00 0.00 57.00 56.14 2jfk n GLN 446 Cb 1.15 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 29.87 2jfk n GLN 446 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jfk s ASP 447 N -2.43 6.32 0.13 1.08 -1.08 -0.17 -4.90 116.67 115.62 2jfk s ASP 447 Ca 0.25 -1.65 -0.11 0.00 -0.52 0.00 0.00 52.55 50.52 2jfk s ASP 447 Cb 0.19 -2.32 -0.08 0.00 -1.46 0.00 0.00 42.92 39.26 2jfk s ASP 447 CO 0.50 -1.07 1.41 -0.07 0.52 0.00 0.00 175.17 176.46 2jfk h LEU 448 N 9.90 0.96 -1.39 -1.34 3.38 -1.84 -1.85 115.31 123.13 2jfk h LEU 448 Ca -0.17 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 2jfk h LEU 448 Cb 1.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jfk h LEU 448 CO 1.07 1.32 0.17 0.00 0.09 0.00 0.00 178.44 181.09 2jfk h ALA 449 N 0.70 1.52 0.16 1.53 0.00 -1.96 0.16 119.26 121.37 2jfk h ALA 449 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jfk h ALA 449 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jfk h ALA 449 CO 0.12 0.37 -0.08 0.35 0.00 0.00 0.00 179.25 180.02 2jfk h PHE 450 N 0.59 -0.20 -0.88 0.00 3.57 -1.87 -2.55 116.94 115.59 2jfk h PHE 450 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2jfk h PHE 450 Cb 0.11 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2jfk h PHE 450 CO 0.01 0.09 0.45 -0.07 -2.23 0.00 0.00 178.31 176.56 2jfk h LEU 451 N -0.50 1.13 -0.88 0.59 3.38 -1.01 -0.92 115.31 117.10 2jfk h LEU 451 Ca -0.02 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2jfk h LEU 451 Cb 0.39 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2jfk h LEU 451 CO 0.04 0.93 0.54 -1.28 0.09 0.00 0.00 178.44 178.75 2jfk h SER 452 N 1.24 0.82 -0.24 -0.43 0.87 -0.69 -0.71 113.55 114.41 2jfk h SER 452 Ca 0.30 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.74 2jfk h SER 452 Cb 0.08 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2jfk h SER 452 CO -0.04 0.50 -0.44 -0.03 -0.53 0.00 0.00 176.83 176.29 2jfk h MET 453 N 0.94 0.72 -0.16 2.24 1.85 -0.91 -2.06 114.93 117.56 2jfk h MET 453 Ca 0.40 -0.45 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 2jfk h MET 453 Cb 0.27 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 2jfk h MET 453 CO -0.21 1.08 -0.00 -0.07 -0.40 0.00 0.00 176.91 177.31 2jfk h LEU 454 N 0.45 0.20 -0.05 3.39 3.38 -0.71 -2.61 115.31 119.36 2jfk h LEU 454 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2jfk h LEU 454 Cb 1.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2jfk h LEU 454 CO 0.10 0.25 -0.14 0.78 0.09 0.00 0.00 178.44 179.52 2jfk h ASN 455 N 0.22 0.21 -0.79 -0.43 2.35 -0.85 -3.07 115.58 113.23 2jfk h ASN 455 Ca 0.05 -0.59 0.18 0.00 -0.55 0.00 0.00 56.30 55.39 2jfk h ASN 455 Cb 0.16 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2jfk h ASN 455 CO 0.00 0.77 0.54 0.44 -1.65 0.00 0.00 177.43 177.53 2jfk h ASP 456 N -0.33 0.30 -0.25 5.81 5.19 -1.23 -2.07 116.42 123.85 2jfk h ASP 456 Ca -0.00 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2jfk h ASP 456 Cb 0.74 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2jfk h ASP 456 CO 0.03 0.14 -0.26 0.40 -3.12 0.00 0.00 179.24 176.43 2jfk h ILE 457 N 0.31 1.27 0.00 0.35 2.04 -1.40 -3.29 117.51 116.80 2jfk h ILE 457 Ca 0.40 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2jfk h ILE 457 Cb 1.07 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2jfk h ILE 457 CO -0.11 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.50 2jfk h ALA 458 N 1.07 1.00 -0.17 1.87 0.00 -1.28 -3.35 119.26 118.40 2jfk h ALA 458 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.47 2jfk h ALA 458 Cb 0.77 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jfk h ALA 458 CO 0.06 0.00 1.77 0.00 0.00 0.00 0.00 179.25 181.09 2jfk n ALA 459 N -1.95 2.58 -3.71 0.00 0.00 -1.24 -4.62 120.51 111.57 2jfk n ALA 459 Ca -0.02 -3.16 -0.21 0.00 0.00 0.00 0.00 53.44 50.05 2jfk n ALA 459 Cb 0.08 -3.58 -0.18 0.00 0.00 0.00 0.00 19.45 15.77 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 7.46 0.09 0.45 0.00 1.01 -1.26 -5.13 120.40 123.02 2jfk s VAL 460 Ca 0.62 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.68 2jfk s VAL 460 Cb 0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 2jfk s VAL 460 CO 0.14 0.21 0.92 -0.81 0.00 0.00 0.00 175.10 175.56 2jfk n PRO 461 N 5.22 1.14 -0.18 2.72 -0.04 -1.26 -4.52 135.00 138.08 2jfk n PRO 461 Ca -0.05 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2jfk n PRO 461 Cb 0.50 -1.97 0.47 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.24 2.04 -0.89 0.55 0.00 -1.92 0.20 119.26 120.47 2jfk h ALA 462 Ca -0.44 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2jfk h ALA 462 Cb 1.35 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2jfk h ALA 462 CO 0.55 -0.24 -0.42 2.41 0.00 0.00 0.00 179.25 181.54 2jfk n THR 463 N -4.49 -0.53 -0.01 0.00 -1.04 -1.26 -1.19 114.28 105.75 2jfk n THR 463 Ca 0.15 2.12 -0.19 0.00 -2.04 0.00 0.00 64.05 64.09 2jfk n THR 463 Cb 0.50 -2.72 -0.14 0.00 -1.82 0.00 0.00 70.33 66.16 2jfk n THR 463 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jfk h ALA 464 N 0.89 0.03 -2.99 2.41 0.00 -1.07 -3.42 119.26 115.11 2jfk h ALA 464 Ca 0.24 -0.77 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2jfk h ALA 464 Cb 0.46 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 2jfk h ALA 464 CO -0.86 0.38 -0.73 -1.64 0.00 0.00 0.00 179.25 176.40 2jfk s MET 465 N -2.36 1.39 0.00 0.00 -1.94 0.19 -4.69 119.30 111.88 2jfk s MET 465 Ca -0.18 -2.13 0.10 0.00 -1.71 0.00 0.00 55.69 51.77 2jfk s MET 465 Cb 0.01 -2.43 0.52 0.00 2.01 0.00 0.00 34.83 34.95 2jfk s MET 465 CO 0.75 -1.18 1.17 -0.35 -0.01 0.00 0.00 175.02 175.40 2jfk n PRO 466 N 3.39 0.18 -4.85 2.03 -0.04 -0.33 -4.07 135.00 131.30 2jfk n PRO 466 Ca 0.10 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.39 2jfk n PRO 466 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.46 2.74 0.10 0.54 0.08 -0.94 -0.17 117.98 117.89 2jfk s PHE 467 Ca 0.11 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.80 2jfk s PHE 467 Cb 0.07 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2jfk s PHE 467 CO 0.14 0.01 -0.08 1.03 -0.10 0.00 0.00 175.22 176.22 2jfk s ARG 468 N -0.25 0.86 0.19 0.44 0.52 -0.37 -1.28 118.95 119.05 2jfk s ARG 468 Ca 0.01 -1.29 -0.16 0.00 -0.52 0.00 0.00 55.73 53.77 2jfk s ARG 468 Cb -0.13 -0.36 0.02 0.00 0.52 0.00 0.00 34.95 35.01 2jfk s ARG 468 CO 0.03 0.02 0.49 0.20 0.02 0.00 0.00 175.30 176.06 2jfk s GLY 469 N -2.85 -0.02 0.07 -3.53 0.00 -0.40 -0.90 107.32 99.68 2jfk s GLY 469 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.47 2jfk s GLY 469 CO -0.02 -0.34 0.08 -2.52 0.00 0.00 0.00 173.10 170.30 2jfk s TYR 470 N -3.88 0.32 -0.15 1.90 1.13 -0.30 -0.24 117.35 116.13 2jfk s TYR 470 Ca 0.10 -0.80 -0.10 0.00 -1.41 0.00 0.00 57.07 54.86 2jfk s TYR 470 Cb -0.00 -0.22 0.05 0.00 -1.10 0.00 0.00 41.96 40.69 2jfk s TYR 470 CO -0.03 -0.46 0.37 0.00 -2.51 0.00 0.00 175.55 172.93 2jfk s ALA 471 N -3.82 -0.93 -0.53 9.51 0.00 -0.09 -1.73 121.76 124.17 2jfk s ALA 471 Ca 0.05 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 2jfk s ALA 471 Cb 0.06 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.47 2jfk s ALA 471 CO -0.10 -0.22 0.82 0.08 0.00 0.00 0.00 175.76 176.34 2jfk s VAL 472 N 0.89 4.57 0.02 0.00 1.01 -1.26 -0.90 120.40 124.73 2jfk s VAL 472 Ca -0.06 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 2jfk s VAL 472 Cb -0.06 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2jfk s VAL 472 CO -0.07 -0.99 0.89 -0.76 0.00 0.00 0.00 175.10 174.17 2jfk s LEU 473 N 3.45 4.40 0.00 3.92 1.43 0.52 -4.53 118.68 127.86 2jfk s LEU 473 Ca 0.25 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2jfk s LEU 473 Cb -0.15 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2jfk s LEU 473 CO 0.17 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2jfk n GLY 474 N 2.73 -0.05 0.45 -3.19 0.00 -1.26 -1.93 105.19 101.94 2jfk n GLY 474 Ca 0.03 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 0.10 -2.97 0.00 -0.02 0.00 -1.26 -4.55 105.19 96.49 2jfk n GLY 475 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.42 0.00 -0.21 1.61 0.00 -1.26 -3.02 120.64 115.34 2jfk n GLU 476 Ca -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 57.16 57.38 2jfk n GLU 476 Cb 0.19 -1.10 -0.02 0.00 0.00 0.00 0.00 31.44 30.51 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 -1.26 0.42 -2.86 3.44 1.85 -1.26 -4.72 116.66 112.27 2jfk n ARG 477 Ca 0.00 -0.10 -0.41 0.00 -1.00 0.00 0.00 57.85 56.33 2jfk n ARG 477 Cb 0.00 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 29.93 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 2.22 2.41 -0.24 2.89 0.00 -1.17 -4.90 107.32 108.54 2jfk s GLY 478 Ca 0.07 0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.68 2jfk s GLY 478 CO 0.00 1.60 1.25 -0.32 0.00 0.00 0.00 173.10 175.63 2jfk s GLY 479 N 1.04 -0.09 0.06 0.20 0.00 -1.26 -5.03 107.32 102.23 2jfk s GLY 479 Ca 0.42 2.33 -0.22 0.00 0.00 0.00 0.00 44.72 47.25 2jfk s GLY 479 CO 0.17 0.94 0.67 2.56 0.00 0.00 0.00 173.10 177.44 2jfk s PRO 480 N -1.40 4.39 -0.17 2.90 0.04 -1.26 -4.58 135.00 134.90 2jfk s PRO 480 Ca 0.07 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 2jfk s PRO 480 Cb -0.01 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 2jfk s PRO 480 CO -0.05 0.44 -0.03 -1.21 0.04 0.00 0.00 177.00 176.19 2jfk s GLU 481 N -0.53 3.62 0.06 4.56 0.41 -0.71 -4.98 118.70 121.13 2jfk s GLU 481 Ca 0.33 -0.53 0.07 0.00 -0.41 0.00 0.00 54.97 54.43 2jfk s GLU 481 Cb -0.20 -2.96 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 2jfk s GLU 481 CO 0.21 0.14 -0.19 0.08 -0.49 0.00 0.00 175.26 175.01 2jfk s VAL 482 N 0.63 1.50 -0.26 2.63 1.01 -1.26 -1.15 120.40 123.50 2jfk s VAL 482 Ca -0.02 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 2jfk s VAL 482 Cb -0.14 -1.34 0.12 0.00 0.00 0.00 0.00 36.38 35.02 2jfk s VAL 482 CO 0.02 0.06 1.03 -1.58 0.00 0.00 0.00 175.10 174.63 2jfk s GLN 483 N -1.38 0.52 0.15 2.72 0.74 -0.08 -4.99 119.66 117.34 2jfk s GLN 483 Ca 0.05 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.68 2jfk s GLN 483 Cb -0.09 0.25 -0.07 0.00 1.10 0.00 0.00 33.01 34.20 2jfk s GLN 483 CO 0.02 -0.08 1.18 -1.14 -0.55 0.00 0.00 175.29 174.72 2jfk s GLN 484 N 0.01 4.50 -0.21 1.67 2.00 -1.26 -1.24 119.66 125.12 2jfk s GLN 484 Ca 0.02 1.81 -0.10 0.00 -2.00 0.00 0.00 55.36 55.09 2jfk s GLN 484 Cb -0.04 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.44 2jfk s GLN 484 CO -0.05 -0.10 0.13 0.08 -0.50 0.00 0.00 175.29 174.84 2jfk s VAL 485 N 0.25 5.28 0.30 1.34 1.01 0.76 -4.93 120.40 124.42 2jfk s VAL 485 Ca 0.54 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2jfk s VAL 485 Cb -0.31 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 2jfk s VAL 485 CO 0.34 0.41 1.48 -2.16 0.00 0.00 0.00 175.10 175.18 2jfk s PRO 486 N 0.59 4.19 -0.05 2.72 0.04 -1.26 -4.87 135.00 136.36 2jfk s PRO 486 Ca 0.07 2.45 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2jfk s PRO 486 Cb -0.12 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2jfk s PRO 486 CO 0.00 -0.49 1.97 0.00 0.04 0.00 0.00 177.00 178.53 2jfk n ALA 487 N 1.64 1.32 -3.62 8.56 0.00 -1.26 -4.87 120.51 122.27 2jfk n ALA 487 Ca 0.05 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jfk n ALA 487 Cb 0.39 -2.63 -0.12 0.00 0.00 0.00 0.00 19.45 17.09 2jfk n ALA 487 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jfk s GLY 488 N 4.78 -0.24 -0.67 0.00 0.00 -1.26 -5.02 107.32 104.90 2jfk s GLY 488 Ca 0.92 1.23 0.05 0.00 0.00 0.00 0.00 44.72 46.92 2jfk s GLY 488 CO 0.45 1.37 0.48 1.18 0.00 0.00 0.00 173.10 176.58 2jfk n GLU 489 N 4.00 1.65 -3.38 2.90 -0.58 -1.26 -5.02 120.64 118.95 2jfk n GLU 489 Ca -0.22 -4.34 -0.38 0.00 -0.42 0.00 0.00 57.16 51.80 2jfk n GLU 489 Cb 0.55 -2.21 -0.06 0.00 -0.57 0.00 0.00 31.44 29.14 2jfk n GLU 489 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jfk s ARG 490 N -1.31 4.27 0.27 3.49 0.52 -1.26 -5.05 118.95 119.87 2jfk s ARG 490 Ca 0.26 0.38 -0.23 0.00 -0.52 0.00 0.00 55.73 55.62 2jfk s ARG 490 Cb -0.03 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.95 2jfk s ARG 490 CO -0.17 0.25 0.83 -1.25 0.02 0.00 0.00 175.30 174.97 2jfk s PRO 491 N 0.36 4.41 -0.21 3.54 0.04 -1.26 -4.81 135.00 137.07 2jfk s PRO 491 Ca 0.24 1.09 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2jfk s PRO 491 Cb -0.15 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2jfk s PRO 491 CO 0.09 0.35 0.07 -1.17 0.04 0.00 0.00 177.00 176.38 2jfk s LEU 492 N -1.99 3.65 -0.04 -3.56 2.96 -1.26 -0.39 118.68 118.05 2jfk s LEU 492 Ca 0.46 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 2jfk s LEU 492 Cb -0.18 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2jfk s LEU 492 CO 0.22 0.08 -0.25 0.26 -1.32 0.00 0.00 176.35 175.35 2jfk s TRP 493 N 0.93 2.32 -0.21 5.38 0.52 0.17 0.20 118.94 128.26 2jfk s TRP 493 Ca 0.04 -0.61 -0.08 0.00 0.02 0.00 0.00 56.10 55.47 2jfk s TRP 493 Cb -0.14 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2jfk s TRP 493 CO 0.03 -0.15 0.09 -0.06 0.02 0.00 0.00 176.95 176.87 2jfk s PHE 494 N -0.30 3.23 -0.28 -1.98 2.99 -0.42 -1.05 117.98 120.17 2jfk s PHE 494 Ca 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 56.93 56.90 2jfk s PHE 494 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 43.02 40.75 2jfk s PHE 494 CO 0.02 0.03 0.05 0.42 -0.00 0.00 0.00 175.22 175.74 2jfk s ILE 495 N 0.80 3.79 -0.32 0.64 -1.09 -0.29 -1.31 121.20 123.42 2jfk s ILE 495 Ca 0.05 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 2jfk s ILE 495 Cb -0.13 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 2jfk s ILE 495 CO 0.02 0.14 0.44 0.00 -1.23 0.00 0.00 174.94 174.31 2jfk s SER 497 N 1.70 4.13 0.00 0.00 0.01 -0.99 -1.28 113.70 117.27 2jfk s SER 497 Ca 0.16 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2jfk s SER 497 Cb -0.16 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2jfk s SER 497 CO 0.12 -2.18 0.00 0.61 0.41 0.00 0.00 173.24 172.19 2jfk n GLY 498 N -2.21 1.92 3.87 3.44 0.00 -1.12 -3.01 105.19 108.08 2jfk n GLY 498 Ca 0.07 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 4.51 3.57 0.00 1.61 -1.94 -1.26 -4.17 119.30 121.62 2jfk s MET 499 Ca 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 2jfk s MET 499 Cb 0.00 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.76 2jfk s MET 499 CO 0.00 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 174.83 2jfk n GLY 500 N -2.70 0.61 0.32 -0.03 0.00 -1.26 -4.93 105.19 97.19 2jfk n GLY 500 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.14 2.61 -2.24 -1.26 -4.92 114.28 104.33 2jfk n THR 501 Ca 0.00 -0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 2jfk n THR 501 Cb 0.00 0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.11 3.19 -0.06 -0.78 0.00 -1.26 -3.80 119.66 114.85 2jfk s GLN 502 Ca 0.37 1.63 -0.30 0.00 -0.00 0.00 0.00 55.36 57.07 2jfk s GLN 502 Cb 0.21 -1.98 0.09 0.00 0.00 0.00 0.00 33.01 31.33 2jfk s GLN 502 CO 0.38 -0.98 0.79 1.67 0.00 0.00 0.00 175.29 177.15 2jfk s TRP 503 N -1.81 -0.52 -0.09 9.60 1.48 -1.26 -5.05 118.94 121.28 2jfk s TRP 503 Ca 0.73 0.79 -0.30 0.00 -1.06 0.00 0.00 56.10 56.27 2jfk s TRP 503 Cb -0.25 0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 32.47 2jfk s TRP 503 CO 0.30 -0.55 1.53 -0.98 -4.06 0.00 0.00 176.95 173.20 2jfk s ARG 504 N -1.65 4.19 0.00 3.25 3.03 -1.26 -2.00 118.95 124.51 2jfk s ARG 504 Ca -0.05 2.02 0.00 0.00 2.03 0.00 0.00 55.73 59.73 2jfk s ARG 504 Cb -0.00 -3.92 0.00 0.00 -1.03 0.00 0.00 34.95 30.00 2jfk s ARG 504 CO 0.03 -0.81 0.00 0.41 -1.13 0.00 0.00 175.30 173.80 2jfk n GLY 505 N 3.98 0.57 2.35 3.88 0.00 -1.25 -4.92 105.19 109.79 2jfk n GLY 505 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.91 1.61 2.81 -0.85 -2.19 117.12 115.59 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 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 2.06 0.44 0.22 3.03 0.00 -1.26 -4.82 105.19 104.86 2jfk n GLY 507 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.47 -0.26 0.99 3.38 -1.79 -2.00 115.31 116.09 2jfk h LEU 508 Ca 0.00 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 2jfk h LEU 508 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jfk h LEU 508 CO 0.00 0.82 -0.56 -1.28 0.09 0.00 0.00 178.44 177.51 2jfk h SER 509 N 0.37 0.95 0.75 -0.43 0.87 -1.89 -2.91 113.55 111.27 2jfk h SER 509 Ca 0.03 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2jfk h SER 509 Cb 0.86 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2jfk h SER 509 CO 0.07 1.32 0.00 0.18 -0.53 0.00 0.00 176.83 177.87 2jfk n LEU 510 N -4.03 0.56 0.19 2.23 4.77 -1.13 -2.91 117.00 116.68 2jfk n LEU 510 Ca -0.05 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 2jfk n LEU 510 Cb 0.63 -0.54 0.64 0.00 -2.33 0.00 0.00 43.42 41.83 2jfk n LEU 510 CO 0.50 -0.47 0.91 -0.03 -1.33 0.00 0.00 177.39 176.97 2jfk h MET 511 N 0.00 0.00 0.00 3.23 4.05 -1.15 -1.74 114.93 119.32 2jfk h MET 511 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2jfk h MET 511 Cb 0.38 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2jfk h MET 511 CO 0.00 0.00 -0.13 0.00 0.23 0.00 0.00 176.91 177.01 2jfk h ARG 512 N 0.00 0.00 -6.01 0.39 3.08 -1.70 -3.40 114.38 106.74 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 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 2jfk h ARG 512 CO 0.00 0.13 0.33 -0.51 -1.07 0.00 0.00 179.97 178.85 2jfk s LEU 513 N -7.51 4.22 0.23 3.04 1.43 -0.66 -4.96 118.68 114.48 2jfk s LEU 513 Ca -0.03 1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2jfk s LEU 513 Cb 0.14 -3.24 0.21 0.00 0.03 0.00 0.00 46.19 43.33 2jfk s LEU 513 CO 0.60 -0.33 1.80 0.44 0.23 0.00 0.00 176.35 179.10 2jfk h ASP 514 N 7.16 1.07 0.08 2.29 3.32 -1.80 -1.57 116.42 126.96 2jfk h ASP 514 Ca -0.33 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2jfk h ASP 514 Cb 1.15 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2jfk h ASP 514 CO 0.81 0.93 -0.16 -0.09 -1.72 0.00 0.00 179.24 179.01 2jfk h ARG 515 N 1.14 0.18 0.10 3.56 1.12 -1.93 0.30 114.38 118.85 2jfk h ARG 515 Ca 0.27 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.09 2jfk h ARG 515 Cb 0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2jfk h ARG 515 CO -0.03 0.35 -0.05 0.35 -3.11 0.00 0.00 179.97 177.48 2jfk h PHE 516 N 0.17 -0.13 -0.20 2.20 3.04 -1.60 -1.56 116.94 118.86 2jfk h PHE 516 Ca 0.03 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 2jfk h PHE 516 Cb 0.39 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 2jfk h PHE 516 CO 0.00 0.36 -0.34 0.07 -2.02 0.00 0.00 178.31 176.37 2jfk h ARG 517 N -0.70 0.42 -0.32 1.11 -0.00 -1.11 -0.57 114.38 113.21 2jfk h ARG 517 Ca -0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 59.98 59.82 2jfk h ARG 517 Cb 0.54 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.97 30.46 2jfk h ARG 517 CO 0.02 0.72 0.07 -0.44 -0.00 0.00 0.00 179.97 180.34 2jfk h ASP 518 N 0.36 0.04 -0.62 0.08 3.45 -0.47 0.01 116.42 119.26 2jfk h ASP 518 Ca 0.04 0.05 0.08 0.00 0.43 0.00 0.00 57.03 57.63 2jfk h ASP 518 Cb 0.78 0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.54 2jfk h ASP 518 CO 0.06 0.06 0.28 -1.28 -1.57 0.00 0.00 179.24 176.79 2jfk h SER 519 N 0.19 0.35 0.21 6.45 0.87 -0.50 -0.19 113.55 120.93 2jfk h SER 519 Ca 0.15 0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.59 2jfk h SER 519 Cb 0.15 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2jfk h SER 519 CO -0.18 0.21 -0.68 0.40 -0.53 0.00 0.00 176.83 176.05 2jfk h ILE 520 N 0.50 1.36 -0.43 2.23 2.04 -0.77 -1.16 117.51 121.28 2jfk h ILE 520 Ca 0.30 -2.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.01 2jfk h ILE 520 Cb 0.31 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2jfk h ILE 520 CO -0.25 0.62 -0.14 -0.07 0.00 0.00 0.00 178.15 178.30 2jfk h LEU 521 N 0.30 0.80 -1.11 1.44 3.38 -0.77 0.46 115.31 119.80 2jfk h LEU 521 Ca -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2jfk h LEU 521 Cb 1.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2jfk h LEU 521 CO 0.12 0.95 0.55 -0.09 0.09 0.00 0.00 178.44 180.06 2jfk h ARG 522 N 0.72 1.15 -0.23 1.13 9.65 -0.82 -2.33 114.38 123.64 2jfk h ARG 522 Ca 0.11 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2jfk h ARG 522 Cb 0.64 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2jfk h ARG 522 CO 0.05 0.78 -0.02 0.77 2.80 0.00 0.00 179.97 184.34 2jfk h SER 523 N 1.18 0.42 -0.98 -3.80 0.02 -0.69 -2.75 113.55 106.95 2jfk h SER 523 Ca 0.31 -0.33 0.29 0.00 -0.84 0.00 0.00 61.79 61.22 2jfk h SER 523 Cb -0.10 -0.11 -0.14 0.00 0.14 0.00 0.00 62.40 62.18 2jfk h SER 523 CO -0.06 0.65 0.53 0.44 -1.14 0.00 0.00 176.83 177.24 2jfk h ASP 524 N 0.19 0.49 -0.41 3.07 3.32 -0.52 -0.61 116.42 121.95 2jfk h ASP 524 Ca 0.06 0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 2jfk h ASP 524 Cb 0.45 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2jfk h ASP 524 CO 0.02 -0.07 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.05 2jfk h GLU 525 N 0.38 0.85 -0.52 3.56 4.39 -1.13 0.30 114.58 122.41 2jfk h GLU 525 Ca 0.68 -0.29 0.08 0.00 0.34 0.00 0.00 59.36 60.17 2jfk h GLU 525 Cb 1.45 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 2jfk h GLU 525 CO -0.57 0.91 0.35 0.00 -1.16 0.00 0.00 179.01 178.54 2jfk h ALA 526 N 1.12 2.00 -0.34 3.43 0.00 -0.99 -2.91 119.26 121.58 2jfk h ALA 526 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jfk h ALA 526 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jfk h ALA 526 CO 0.04 -0.11 0.00 0.28 0.00 0.00 0.00 179.25 179.46 2jfk n VAL 527 N -4.47 1.51 -0.09 0.00 0.31 -0.58 -4.55 118.33 110.47 2jfk n VAL 527 Ca 0.08 -1.32 -0.06 0.00 -0.01 0.00 0.00 64.34 63.02 2jfk n VAL 527 Cb 0.32 0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2jfk n VAL 527 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2jfk h LYS 528 N 2.09 0.02 -7.37 5.55 3.64 -0.25 -1.81 116.57 118.45 2jfk h LYS 528 Ca 0.00 -0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 2jfk h LYS 528 Cb 1.03 -0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.96 2jfk h LYS 528 CO 0.09 0.01 0.33 -1.25 -2.27 0.00 0.00 179.45 176.37 2jfk s PRO 529 N -6.21 2.26 0.00 1.90 0.04 -1.26 -1.79 135.00 129.95 2jfk s PRO 529 Ca -0.14 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2jfk s PRO 529 Cb 0.13 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2jfk s PRO 529 CO 0.70 -1.54 0.00 1.19 0.04 0.00 0.00 177.00 177.39 2jfk n PHE 530 N -3.41 0.00 -3.08 0.56 0.99 -1.26 -4.31 117.46 106.95 2jfk n PHE 530 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.39 2jfk n PHE 530 Cb 0.55 -0.22 0.05 0.00 -1.00 0.00 0.00 39.48 38.86 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 -1.95 0.02 3.20 1.37 0.00 -0.74 -5.03 105.19 102.06 2jfk n GLY 531 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2jfk n GLY 531 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 532 N -4.76 2.17 -0.21 0.99 1.43 -0.68 -5.05 118.68 112.57 2jfk s LEU 532 Ca 0.26 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2jfk s LEU 532 Cb -0.11 -0.78 0.05 0.00 0.03 0.00 0.00 46.19 45.37 2jfk s LEU 532 CO 0.44 0.09 -0.08 -0.75 0.23 0.00 0.00 176.35 176.28 2jfk s LYS 533 N -1.17 1.84 0.14 1.70 2.20 -1.26 -3.63 119.74 119.55 2jfk s LYS 533 Ca 0.04 -0.88 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 2jfk s LYS 533 Cb -0.08 -2.45 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 2jfk s LYS 533 CO 0.02 -0.49 1.68 0.28 -0.36 0.00 0.00 175.35 176.47 2jfk h VAL 534 N 6.50 0.65 -1.04 4.02 2.07 -1.87 -1.81 116.25 124.77 2jfk h VAL 534 Ca -0.24 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.59 2jfk h VAL 534 Cb 1.09 0.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.37 2jfk h VAL 534 CO 0.45 0.00 0.61 0.77 0.02 0.00 0.00 177.57 179.42 2jfk h SER 535 N -0.11 0.52 0.86 0.57 4.64 -1.96 0.38 113.55 118.46 2jfk h SER 535 Ca 0.11 0.16 -0.20 0.00 -0.47 0.00 0.00 61.79 61.39 2jfk h SER 535 Cb 0.27 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2jfk h SER 535 CO -0.26 -0.06 -0.93 0.06 -0.87 0.00 0.00 176.83 174.77 2jfk h GLN 536 N 0.37 0.04 -0.27 4.77 3.07 -1.78 -1.79 115.11 119.52 2jfk h GLN 536 Ca 0.71 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 59.39 2jfk h GLN 536 Cb 1.64 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.20 2jfk h GLN 536 CO -0.52 0.94 0.14 -0.07 0.09 0.00 0.00 178.83 179.40 2jfk h LEU 537 N 0.02 0.35 -0.76 0.06 3.38 -0.42 -0.10 115.31 117.83 2jfk h LEU 537 Ca -0.02 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2jfk h LEU 537 Cb 1.63 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2jfk h LEU 537 CO 0.13 0.37 0.50 -0.07 0.09 0.00 0.00 178.44 179.46 2jfk h LEU 538 N 0.32 0.86 -1.31 1.67 3.38 -1.08 -2.58 115.31 116.57 2jfk h LEU 538 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2jfk h LEU 538 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2jfk h LEU 538 CO -0.01 0.62 -0.33 -0.07 0.09 0.00 0.00 178.44 178.73 2jfk h LEU 539 N 1.02 0.00 -9.23 1.67 3.38 -1.03 -3.33 115.31 107.79 2jfk h LEU 539 Ca 0.29 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.56 2jfk h LEU 539 Cb -0.09 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.71 2jfk h LEU 539 CO -0.07 0.33 0.41 -0.24 0.09 0.00 0.00 178.44 178.96 2jfk n SER 540 N -3.91 1.45 -0.73 -0.43 2.88 -0.08 -4.85 113.62 107.95 2jfk n SER 540 Ca -0.02 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 2jfk n SER 540 Cb 0.40 -1.15 0.24 0.00 -0.75 0.00 0.00 64.21 62.94 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 2.44 0.46 -2.67 2.46 -2.24 -1.26 -4.62 114.28 108.85 2jfk n THR 541 Ca 0.19 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 2jfk n THR 541 Cb 0.17 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2jfk n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jfk s ASP 542 N -1.19 6.86 0.44 3.42 -1.08 -1.26 -4.93 116.67 118.93 2jfk s ASP 542 Ca 0.30 0.91 0.18 0.00 -0.52 0.00 0.00 52.55 53.42 2jfk s ASP 542 Cb 0.16 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 40.19 2jfk s ASP 542 CO 0.22 -0.91 1.90 1.05 0.52 0.00 0.00 175.17 177.95 2jfk h GLU 543 N 8.27 0.35 -0.32 4.34 4.11 -2.02 -2.25 114.58 127.06 2jfk h GLU 543 Ca -0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2jfk h GLU 543 Cb 1.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2jfk h GLU 543 CO 1.03 0.23 0.00 -1.13 0.07 0.00 0.00 179.01 179.22 2jfk n SER 544 N -4.47 2.53 -0.35 3.06 3.41 -1.26 -4.49 113.62 112.06 2jfk n SER 544 Ca 0.16 -1.88 -0.01 0.00 -0.26 0.00 0.00 58.87 56.87 2jfk n SER 544 Cb 0.61 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.47 2jfk n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfk h THR 545 N 3.17 1.19 -0.39 6.66 1.03 -1.81 -1.50 112.91 121.26 2jfk h THR 545 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2jfk h THR 545 Cb 0.70 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2jfk h THR 545 CO 0.00 0.22 0.00 0.49 -0.01 0.00 0.00 175.52 176.22 2jfk n PHE 546 N -4.47 0.53 0.22 0.00 3.01 -1.26 -3.51 117.46 111.97 2jfk n PHE 546 Ca 0.12 -0.26 0.11 0.00 1.01 0.00 0.00 57.45 58.42 2jfk n PHE 546 Cb 0.06 -0.00 0.44 0.00 -0.01 0.00 0.00 39.48 39.97 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 2.26 0.00 -3.20 4.37 3.32 -1.56 -3.41 116.42 118.20 2jfk h ASP 547 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2jfk h ASP 547 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2jfk h ASP 547 CO 0.00 0.19 0.58 -0.62 -1.72 0.00 0.00 179.24 177.68 2jfk s ASP 548 N -6.13 7.14 0.36 6.45 3.68 -1.23 -4.94 116.67 121.99 2jfk s ASP 548 Ca 0.01 1.83 0.03 0.00 2.13 0.00 0.00 52.55 56.55 2jfk s ASP 548 Cb 0.09 -2.57 0.67 0.00 -1.45 0.00 0.00 42.92 39.66 2jfk s ASP 548 CO 0.63 -0.47 2.01 -0.29 0.13 0.00 0.00 175.17 177.18 2jfk h ILE 549 N 4.81 1.16 0.07 4.11 2.10 -1.92 -1.72 117.51 126.11 2jfk h ILE 549 Ca -0.38 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.25 2jfk h ILE 549 Cb 1.19 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2jfk h ILE 549 CO 0.83 0.16 -0.03 0.58 -1.08 0.00 0.00 178.15 178.60 2jfk h VAL 550 N 0.79 1.21 -0.48 2.19 2.07 -1.92 -1.03 116.25 119.08 2jfk h VAL 550 Ca 0.21 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.73 2jfk h VAL 550 Cb -0.06 1.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 2jfk h VAL 550 CO -0.04 0.26 -0.38 0.45 0.02 0.00 0.00 177.57 177.88 2jfk h HIS 551 N -0.59 -1.09 0.41 1.57 3.86 -1.79 -0.36 115.15 117.16 2jfk h HIS 551 Ca -0.01 0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2jfk h HIS 551 Cb 0.50 0.55 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 2jfk h HIS 551 CO 0.09 -0.41 -0.31 0.77 0.86 0.00 0.00 177.93 178.92 2jfk h SER 552 N -0.25 -0.82 -0.56 2.45 0.02 -1.33 -1.30 113.55 111.75 2jfk h SER 552 Ca 0.18 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 2jfk h SER 552 Cb 0.56 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.26 2jfk h SER 552 CO -0.61 -0.45 -0.00 -0.26 -1.14 0.00 0.00 176.83 174.37 2jfk h PHE 553 N -0.70 -0.04 -0.26 3.45 -1.00 -0.89 0.32 116.94 117.81 2jfk h PHE 553 Ca -0.05 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2jfk h PHE 553 Cb 0.58 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 2jfk h PHE 553 CO -0.10 -0.14 0.15 0.28 -1.61 0.00 0.00 178.31 176.89 2jfk h VAL 554 N 0.11 1.11 -0.41 -0.55 2.07 -1.09 -2.57 116.25 114.92 2jfk h VAL 554 Ca 0.29 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 2jfk h VAL 554 Cb 0.45 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2jfk h VAL 554 CO -0.47 0.10 -0.35 0.28 0.02 0.00 0.00 177.57 177.15 2jfk h SER 555 N 0.32 1.01 0.16 0.57 0.02 0.19 0.24 113.55 116.05 2jfk h SER 555 Ca 0.09 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2jfk h SER 555 Cb 0.03 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2jfk h SER 555 CO -0.02 1.25 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.47 2jfk h LEU 556 N 0.79 -1.12 -0.61 5.07 3.38 -0.48 -0.81 115.31 121.53 2jfk h LEU 556 Ca 0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jfk h LEU 556 Cb 0.94 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2jfk h LEU 556 CO 0.09 -0.47 0.37 0.74 0.09 0.00 0.00 178.44 179.26 2jfk h THR 557 N -0.64 1.18 -0.55 0.22 2.02 -1.27 0.85 112.91 114.71 2jfk h THR 557 Ca 0.02 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jfk h THR 557 Cb 0.66 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2jfk h THR 557 CO -0.20 0.18 0.35 0.00 0.37 0.00 0.00 175.52 176.22 2jfk h ALA 558 N 1.19 0.69 -0.59 6.16 0.00 -0.84 -0.29 119.26 125.58 2jfk h ALA 558 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jfk h ALA 558 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jfk h ALA 558 CO -0.04 0.15 0.21 0.82 0.00 0.00 0.00 179.25 180.39 2jfk h ILE 559 N 0.74 1.23 -0.82 0.00 2.04 -0.43 -0.90 117.51 119.37 2jfk h ILE 559 Ca 0.20 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2jfk h ILE 559 Cb -0.05 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2jfk h ILE 559 CO -0.04 0.29 0.52 1.56 0.00 0.00 0.00 178.15 180.48 2jfk h GLN 560 N 0.82 1.10 -0.52 2.37 4.20 -0.43 -0.48 115.11 122.18 2jfk h GLN 560 Ca 0.19 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2jfk h GLN 560 Cb 0.24 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jfk h GLN 560 CO -0.01 0.75 -0.04 0.82 -0.67 0.00 0.00 178.83 179.68 2jfk h ILE 561 N 1.13 1.26 0.67 2.54 2.04 -0.53 0.07 117.51 124.69 2jfk h ILE 561 Ca 0.30 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2jfk h ILE 561 Cb -0.09 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jfk h ILE 561 CO -0.06 0.40 -0.32 1.23 0.00 0.00 0.00 178.15 179.39 2jfk h GLY 562 N 0.99 -0.94 -0.33 5.37 0.00 -0.54 0.47 103.07 108.08 2jfk h GLY 562 Ca 0.15 0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.97 2jfk h GLY 562 CO 0.03 -0.34 -0.14 1.41 0.00 0.00 0.00 176.54 177.49 2jfk h LEU 563 N -0.91 -0.58 -0.99 3.11 3.38 -0.92 0.80 115.31 119.21 2jfk h LEU 563 Ca -0.09 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jfk h LEU 563 Cb 0.69 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2jfk h LEU 563 CO 0.15 -0.21 0.64 0.40 0.09 0.00 0.00 178.44 179.51 2jfk h ILE 564 N 0.01 1.26 -0.46 1.22 2.04 -0.66 -1.18 117.51 119.75 2jfk h ILE 564 Ca 0.33 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2jfk h ILE 564 Cb 0.52 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2jfk h ILE 564 CO -0.68 0.25 0.20 0.44 0.00 0.00 0.00 178.15 178.36 2jfk h ASP 565 N 1.35 0.62 -0.63 1.72 3.32 0.11 0.10 116.42 123.01 2jfk h ASP 565 Ca 0.36 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.31 2jfk h ASP 565 Cb -0.14 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2jfk h ASP 565 CO -0.08 0.59 0.35 -0.07 -1.72 0.00 0.00 179.24 178.32 2jfk h LEU 566 N 0.60 0.53 -0.29 1.55 3.38 -0.30 0.62 115.31 121.41 2jfk h LEU 566 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2jfk h LEU 566 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jfk h LEU 566 CO -0.02 0.35 0.11 -0.07 0.09 0.00 0.00 178.44 178.91 2jfk h LEU 567 N 0.67 0.40 -1.23 1.67 3.38 -0.96 -2.82 115.31 116.42 2jfk h LEU 567 Ca 0.27 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jfk h LEU 567 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jfk h LEU 567 CO -0.16 0.46 -0.22 0.77 0.09 0.00 0.00 178.44 179.37 2jfk h SER 568 N 0.31 0.24 0.51 -0.43 4.64 -0.59 -1.99 113.55 116.24 2jfk h SER 568 Ca 0.09 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2jfk h SER 568 Cb 0.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2jfk h SER 568 CO -0.01 0.48 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 2jfk n MET 570 N -2.10 3.56 -1.47 0.00 2.81 -0.77 -4.78 117.12 114.37 2jfk n MET 570 Ca 0.01 -2.80 -0.07 0.00 -1.81 0.00 0.00 57.70 53.03 2jfk n MET 570 Cb 0.17 -1.82 -0.02 0.00 -0.71 0.00 0.00 33.22 30.84 2jfk n MET 570 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfk n GLY 571 N 0.96 0.68 3.53 3.03 0.00 0.11 -4.54 105.19 108.96 2jfk n GLY 571 Ca 0.24 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2jfk n GLY 571 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 572 N -1.72 4.12 -0.20 0.99 1.43 -1.10 -5.02 118.68 117.19 2jfk s LEU 572 Ca 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 2jfk s LEU 572 Cb 0.00 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2jfk s LEU 572 CO 0.00 -1.18 0.29 0.00 0.23 0.00 0.00 176.35 175.69 2jfk s ARG 573 N 3.85 4.18 0.30 1.70 1.04 -1.26 -4.40 118.95 124.37 2jfk s ARG 573 Ca 0.31 0.03 -0.28 0.00 -1.04 0.00 0.00 55.73 54.74 2jfk s ARG 573 Cb -0.12 -3.49 -0.09 0.00 -2.04 0.00 0.00 34.95 29.20 2jfk s ARG 573 CO 0.20 0.10 1.06 -1.25 -0.04 0.00 0.00 175.30 175.38 2jfk s PRO 574 N 0.89 4.57 0.19 3.89 0.04 -1.26 -4.86 135.00 138.45 2jfk s PRO 574 Ca 0.15 1.68 0.12 0.00 0.04 0.00 0.00 61.00 62.99 2jfk s PRO 574 Cb -0.14 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 2jfk s PRO 574 CO 0.05 0.18 1.30 -0.44 0.04 0.00 0.00 177.00 178.13 2jfk h ASP 575 N 3.56 0.00 -5.04 6.66 3.32 -0.63 -3.47 116.42 120.82 2jfk h ASP 575 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2jfk h ASP 575 Cb 1.21 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 2jfk h ASP 575 CO 0.66 0.71 -0.37 -0.83 -1.72 0.00 0.00 179.24 177.69 2jfk s GLY 576 N -4.61 -0.02 -0.01 2.75 0.00 -1.04 -4.66 107.32 99.73 2jfk s GLY 576 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.64 2jfk s GLY 576 CO 0.78 -0.29 -0.03 -0.42 0.00 0.00 0.00 173.10 173.15 2jfk s ILE 577 N -2.12 0.24 -0.16 0.90 1.01 -0.33 -1.30 121.20 119.43 2jfk s ILE 577 Ca -0.08 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2jfk s ILE 577 Cb -0.03 -0.23 0.06 0.00 0.01 0.00 0.00 42.46 42.27 2jfk s ILE 577 CO -0.01 0.08 0.38 -0.69 0.00 0.00 0.00 174.94 174.70 2jfk s VAL 578 N 0.12 -0.03 0.32 2.92 1.01 -0.42 -1.78 120.40 122.53 2jfk s VAL 578 Ca -0.01 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2jfk s VAL 578 Cb -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2jfk s VAL 578 CO -0.00 0.04 0.15 -0.83 0.00 0.00 0.00 175.10 174.46 2jfk s GLY 579 N 1.36 1.81 -0.16 4.51 0.00 -1.26 -1.20 107.32 112.39 2jfk s GLY 579 Ca -0.09 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 2jfk s GLY 579 CO -0.12 -1.69 -0.08 -1.58 0.00 0.00 0.00 173.10 169.64 2jfk s HIS 580 N -2.36 1.85 0.00 1.90 2.46 -0.40 -4.64 115.29 114.09 2jfk s HIS 580 Ca 0.37 -1.12 0.00 0.00 0.47 0.00 0.00 55.06 54.78 2jfk s HIS 580 Cb -0.04 -1.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 2jfk s HIS 580 CO 0.23 -0.62 0.00 -1.13 -2.47 0.00 0.00 174.74 170.75 2jfk n SER 581 N 4.84 0.00 0.00 9.88 3.41 -1.26 -0.17 113.62 130.32 2jfk n SER 581 Ca -0.13 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 2jfk n SER 581 Cb 0.48 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.98 2jfk n SER 581 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jfk h LEU 582 N 0.00 0.26 -1.76 1.04 5.85 -1.91 -1.04 115.31 117.75 2jfk h LEU 582 Ca 0.00 0.00 0.28 0.00 0.84 0.00 0.00 57.88 59.01 2jfk h LEU 582 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2jfk h LEU 582 CO 0.00 0.17 0.87 1.23 -0.34 0.00 0.00 178.44 180.36 2jfk h GLY 583 N 0.29 0.00 2.00 3.75 0.00 -0.46 0.10 103.07 108.75 2jfk h GLY 583 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jfk h GLY 583 CO -0.04 0.00 -0.02 0.83 0.00 0.00 0.00 176.54 177.30 2jfk h GLU 584 N 0.00 0.00 0.50 4.80 5.08 -1.34 -1.58 114.58 122.04 2jfk h GLU 584 Ca 0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2jfk h GLU 584 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 2jfk h GLU 584 CO -0.00 0.02 -0.24 0.28 -1.00 0.00 0.00 179.01 178.07 2jfk h VAL 585 N 0.00 0.32 -0.95 3.13 2.07 -0.99 -2.83 116.25 117.00 2jfk h VAL 585 Ca -0.00 -0.46 0.24 0.00 0.82 0.00 0.00 66.70 67.30 2jfk h VAL 585 Cb 0.21 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 2jfk h VAL 585 CO 0.00 0.05 0.48 0.00 0.02 0.00 0.00 177.57 178.13 2jfk h ALA 586 N -0.77 1.61 -0.90 1.67 0.00 -1.64 0.12 119.26 119.35 2jfk h ALA 586 Ca -0.07 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2jfk h ALA 586 Cb 0.60 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2jfk h ALA 586 CO 0.11 -0.34 0.58 0.00 0.00 0.00 0.00 179.25 179.61 2jfk h GLY 588 N 0.87 0.53 0.53 0.00 0.00 -0.72 0.81 103.07 105.08 2jfk h GLY 588 Ca 0.42 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2jfk h GLY 588 CO -0.19 0.23 -0.14 -1.82 0.00 0.00 0.00 176.54 174.63 2jfk h TYR 589 N 0.44 -0.34 0.00 5.60 5.03 -1.08 -0.55 116.97 126.06 2jfk h TYR 589 Ca 0.12 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 2jfk h TYR 589 Cb 0.07 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 2jfk h TYR 589 CO -0.02 -0.20 -0.16 0.00 -1.32 0.00 0.00 178.16 176.46 2jfk h ALA 590 N 0.88 1.48 0.00 1.82 0.00 -0.72 -2.38 119.26 120.34 2jfk h ALA 590 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jfk h ALA 590 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jfk h ALA 590 CO -0.21 0.20 -0.44 -3.47 0.00 0.00 0.00 179.25 175.32 2jfk n ASP 591 N -3.97 0.66 0.00 0.00 2.03 0.25 -4.94 116.55 110.57 2jfk n ASP 591 Ca -0.02 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2jfk n ASP 591 Cb 0.24 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 1.36 0.48 0.09 0.27 0.00 -0.59 -4.80 105.19 101.99 2jfk n GLY 592 Ca 0.04 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 2jfk n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfk s LEU 594 N -8.03 3.26 0.91 0.00 1.43 -1.06 -4.44 118.68 110.76 2jfk s LEU 594 Ca -0.20 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2jfk s LEU 594 Cb 0.00 -1.76 0.14 0.00 0.03 0.00 0.00 46.19 44.60 2jfk s LEU 594 CO 0.70 0.35 1.12 -0.94 0.23 0.00 0.00 176.35 177.81 2jfk s SER 595 N -0.98 3.49 0.20 2.29 1.04 -1.26 -3.92 113.70 114.55 2jfk s SER 595 Ca 0.14 1.08 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 2jfk s SER 595 Cb -0.11 -1.71 0.19 0.00 0.10 0.00 0.00 66.02 64.49 2jfk s SER 595 CO 0.03 -2.58 1.79 -0.61 0.98 0.00 0.00 173.24 172.86 2jfk h GLN 596 N -1.51 0.57 -0.44 4.02 4.15 -1.98 0.99 115.11 120.90 2jfk h GLN 596 Ca -0.51 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 58.76 2jfk h GLN 596 Cb 1.32 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2jfk h GLN 596 CO 0.60 0.37 -0.20 0.93 -1.93 0.00 0.00 178.83 178.61 2jfk h GLU 597 N 0.58 0.92 -0.21 1.69 5.08 -1.93 -0.87 114.58 119.84 2jfk h GLU 597 Ca 0.26 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2jfk h GLU 597 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jfk h GLU 597 CO -0.18 1.05 0.08 0.93 -1.00 0.00 0.00 179.01 179.90 2jfk h GLU 598 N 0.75 0.31 -0.27 2.33 5.08 -1.84 -1.92 114.58 119.02 2jfk h GLU 598 Ca 0.10 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2jfk h GLU 598 Cb 0.77 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2jfk h GLU 598 CO 0.06 0.38 0.14 0.00 -1.00 0.00 0.00 179.01 178.59 2jfk h ALA 599 N 0.92 0.33 -0.20 3.43 0.00 -0.64 -0.67 119.26 122.42 2jfk h ALA 599 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jfk h ALA 599 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jfk h ALA 599 CO -0.00 -0.25 0.02 0.28 0.00 0.00 0.00 179.25 179.30 2jfk h VAL 600 N 0.30 1.24 -0.41 0.00 2.07 -1.10 -2.36 116.25 115.97 2jfk h VAL 600 Ca 0.11 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2jfk h VAL 600 Cb 0.02 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2jfk h VAL 600 CO -0.07 0.24 0.06 -0.07 0.02 0.00 0.00 177.57 177.76 2jfk h LEU 601 N 0.12 0.59 -0.68 2.57 3.38 -1.17 0.05 115.31 120.17 2jfk h LEU 601 Ca 0.06 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jfk h LEU 601 Cb 0.35 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2jfk h LEU 601 CO 0.01 0.61 0.42 0.00 0.09 0.00 0.00 178.44 179.57 2jfk h ALA 602 N 1.46 0.88 -0.63 1.53 0.00 -0.93 0.67 119.26 122.24 2jfk h ALA 602 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2jfk h ALA 602 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jfk h ALA 602 CO 0.00 0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.61 2jfk h ALA 603 N 1.29 1.11 0.38 0.00 0.00 -0.70 -2.35 119.26 119.00 2jfk h ALA 603 Ca 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jfk h ALA 603 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jfk h ALA 603 CO -0.11 0.60 -0.18 -0.92 0.00 0.00 0.00 179.25 178.64 2jfk h TYR 604 N 0.94 -0.47 -0.54 0.00 3.20 -0.30 -2.73 116.97 117.07 2jfk h TYR 604 Ca 0.21 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 2jfk h TYR 604 Cb 0.31 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2jfk h TYR 604 CO 0.02 -0.21 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.83 2jfk h TRP 605 N -0.65 1.05 -0.59 -3.82 -0.00 -0.91 0.30 115.95 111.33 2jfk h TRP 605 Ca -0.05 -0.19 0.12 0.00 -0.00 0.00 0.00 58.89 58.77 2jfk h TRP 605 Cb 0.47 -0.27 -0.11 0.00 -0.00 0.00 0.00 29.16 29.25 2jfk h TRP 605 CO -0.02 0.96 -0.16 -0.09 -0.00 0.00 0.00 178.44 179.14 2jfk h ARG 606 N 0.84 -0.01 -0.12 0.49 2.43 -1.48 0.32 114.38 116.84 2jfk h ARG 606 Ca 0.15 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2jfk h ARG 606 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2jfk h ARG 606 CO 0.03 -0.01 -0.14 0.78 -1.51 0.00 0.00 179.97 179.13 2jfk h GLY 607 N -0.01 0.34 1.01 2.80 0.00 -1.08 -3.12 103.07 103.01 2jfk h GLY 607 Ca 0.28 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2jfk h GLY 607 CO -0.61 0.32 0.20 -1.61 0.00 0.00 0.00 176.54 174.84 2jfk h GLN 608 N -0.08 0.94 -0.37 4.80 5.75 -0.06 -1.24 115.11 124.84 2jfk h GLN 608 Ca 0.02 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 2jfk h GLN 608 Cb 0.67 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 2jfk h GLN 608 CO 0.03 0.83 0.16 0.00 -2.65 0.00 0.00 178.83 177.20 2jfk h ILE 610 N 0.34 0.67 -0.63 0.00 2.04 -1.43 -2.08 117.51 116.41 2jfk h ILE 610 Ca 0.16 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 2jfk h ILE 610 Cb 0.10 0.67 -0.12 0.00 -0.74 0.00 0.00 36.82 36.73 2jfk h ILE 610 CO -0.14 0.00 -0.21 0.50 0.00 0.00 0.00 178.15 178.30 2jfk h LYS 611 N -0.45 -0.05 0.00 2.37 3.64 -1.11 -0.09 116.57 120.89 2jfk h LYS 611 Ca -0.05 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2jfk h LYS 611 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2jfk h LYS 611 CO 0.08 -0.03 -0.27 0.93 -2.27 0.00 0.00 179.45 177.88 2jfk h GLU 612 N -0.05 0.00 0.00 1.90 5.08 -1.25 -3.27 114.58 116.99 2jfk h GLU 612 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2jfk h GLU 612 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jfk h GLU 612 CO -0.67 0.27 -0.03 0.00 -1.00 0.00 0.00 179.01 177.58 2jfk h ALA 613 N 1.73 1.07 -5.70 3.43 0.00 -0.28 -3.47 119.26 116.04 2jfk h ALA 613 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 2jfk h ALA 613 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jfk h ALA 613 CO 0.04 0.03 -0.64 -2.39 0.00 0.00 0.00 179.25 176.28 2jfk n HIS 614 N -3.21 -1.22 -2.39 0.00 1.44 -1.24 -4.95 115.22 103.65 2jfk n HIS 614 Ca -0.01 0.50 -0.25 0.00 -2.01 0.00 0.00 57.72 55.95 2jfk n HIS 614 Cb 0.19 -1.42 0.05 0.00 0.12 0.00 0.00 29.99 28.92 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 -3.20 3.09 0.81 2.39 1.43 -1.26 -5.06 118.68 116.88 2jfk s LEU 615 Ca 0.05 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2jfk s LEU 615 Cb -0.00 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 43.09 2jfk s LEU 615 CO 0.50 -1.28 1.14 -2.84 0.23 0.00 0.00 176.35 174.11 2jfk s PRO 616 N -5.03 1.78 0.05 1.29 0.02 -1.26 -4.92 135.00 126.92 2jfk s PRO 616 Ca 0.57 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2jfk s PRO 616 Cb -0.11 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 2jfk s PRO 616 CO 0.43 -2.05 1.76 -2.14 -0.33 0.00 0.00 177.00 174.66 2jfk s PRO 617 N -4.49 4.17 0.52 5.54 0.02 -1.26 -4.91 135.00 134.59 2jfk s PRO 617 Ca 0.67 2.41 0.01 0.00 0.02 0.00 0.00 61.00 64.12 2jfk s PRO 617 Cb -0.23 -3.80 -0.00 0.00 0.02 0.00 0.00 34.50 30.49 2jfk s PRO 617 CO 0.53 -0.83 0.05 0.20 -0.33 0.00 0.00 177.00 176.63 2jfk s GLY 618 N 3.10 2.99 -0.01 0.52 0.00 0.78 -1.83 107.32 112.87 2jfk s GLY 618 Ca 0.78 -0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.87 2jfk s GLY 618 CO 0.35 -2.18 0.71 0.00 0.00 0.00 0.00 173.10 171.98 2jfk s ALA 619 N -2.88 -1.75 0.17 3.20 0.00 0.04 -3.93 121.76 116.61 2jfk s ALA 619 Ca 0.07 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2jfk s ALA 619 Cb 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2jfk s ALA 619 CO 0.04 -0.49 -0.15 -1.64 0.00 0.00 0.00 175.76 173.52 2jfk s MET 620 N -1.96 1.21 -0.15 0.00 -1.94 -1.26 -1.70 119.30 113.51 2jfk s MET 620 Ca -0.06 -1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 52.37 2jfk s MET 620 Cb -0.00 -1.09 0.04 0.00 2.01 0.00 0.00 34.83 35.79 2jfk s MET 620 CO 0.02 0.20 0.38 0.00 -0.01 0.00 0.00 175.02 175.60 2jfk s ALA 621 N -2.51 -0.93 0.14 3.03 0.00 -0.79 -1.85 121.76 118.84 2jfk s ALA 621 Ca 0.17 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 2jfk s ALA 621 Cb -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 2jfk s ALA 621 CO 0.05 -0.20 1.23 0.00 0.00 0.00 0.00 175.76 176.84 2jfk s ALA 622 N 0.63 3.45 0.00 0.00 0.00 0.11 -1.48 121.76 124.47 2jfk s ALA 622 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2jfk s ALA 622 Cb -0.05 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jfk s ALA 622 CO -0.04 -0.44 -0.01 0.08 0.00 0.00 0.00 175.76 175.35 2jfk s VAL 623 N 0.48 0.10 -0.36 0.00 1.01 -0.26 -1.98 120.40 119.38 2jfk s VAL 623 Ca 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 2jfk s VAL 623 Cb -0.33 -0.12 0.25 0.00 0.00 0.00 0.00 36.38 36.18 2jfk s VAL 623 CO 0.33 -0.06 2.02 0.61 0.00 0.00 0.00 175.10 178.00 2jfk n GLY 624 N 2.82 4.34 3.63 4.51 0.00 -1.20 -2.05 105.19 117.23 2jfk n GLY 624 Ca -0.14 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 2jfk n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 625 N -2.09 2.98 0.75 0.99 1.43 -1.25 -4.87 118.68 116.61 2jfk s LEU 625 Ca 0.35 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 2jfk s LEU 625 Cb 0.28 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 45.21 2jfk s LEU 625 CO -0.00 -0.25 1.12 -0.94 0.23 0.00 0.00 176.35 176.50 2jfk s SER 626 N -3.72 4.99 0.08 2.29 1.04 -1.26 -3.49 113.70 113.62 2jfk s SER 626 Ca 0.35 0.90 -0.26 0.00 0.48 0.00 0.00 55.95 57.42 2jfk s SER 626 Cb 0.00 -1.56 -0.17 0.00 0.10 0.00 0.00 66.02 64.40 2jfk s SER 626 CO 0.19 -1.60 1.66 -0.25 0.98 0.00 0.00 173.24 174.23 2jfk h TRP 627 N -0.80 -0.29 -0.74 5.02 2.91 -1.88 0.21 115.95 120.37 2jfk h TRP 627 Ca -0.45 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.50 2jfk h TRP 627 Cb 1.29 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 30.01 2jfk h TRP 627 CO 0.40 -0.15 0.24 0.93 -1.03 0.00 0.00 178.44 178.83 2jfk h GLU 628 N -0.34 1.15 -0.84 2.65 4.39 -1.95 0.24 114.58 119.88 2jfk h GLU 628 Ca -0.03 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2jfk h GLU 628 Cb 0.26 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2jfk h GLU 628 CO 0.05 0.98 0.42 1.49 -1.16 0.00 0.00 179.01 180.79 2jfk h GLU 629 N 1.10 1.20 0.24 2.33 4.81 -1.91 -1.46 114.58 120.88 2jfk h GLU 629 Ca 0.24 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2jfk h GLU 629 Cb 0.30 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2jfk h GLU 629 CO -0.01 0.91 -0.12 0.00 -0.73 0.00 0.00 179.01 179.07 2jfk h LYS 631 N -0.47 0.03 0.09 0.00 3.11 -0.65 0.37 116.57 119.06 2jfk h LYS 631 Ca -0.03 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2jfk h LYS 631 Cb 0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2jfk h LYS 631 CO 0.05 0.02 -0.05 1.96 -2.81 0.00 0.00 179.45 178.63 2jfk h GLN 632 N 0.04 -0.12 0.00 1.90 7.50 -1.23 -3.32 115.11 119.87 2jfk h GLN 632 Ca 0.34 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.50 2jfk h GLN 632 Cb 0.55 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.10 2jfk h GLN 632 CO -0.66 0.25 -0.25 0.54 -1.50 0.00 0.00 178.83 177.21 2jfk n ARG 633 N -4.96 0.06 -1.84 1.46 1.74 -0.18 -4.88 116.66 108.06 2jfk n ARG 633 Ca -0.09 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 2jfk n ARG 633 Cb 0.23 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2jfk n ARG 633 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jfk s PRO 635 N 1.61 1.42 0.36 0.00 0.04 -1.26 -4.92 135.00 132.25 2jfk s PRO 635 Ca 0.74 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 2jfk s PRO 635 Cb -0.45 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2jfk s PRO 635 CO 0.32 -2.29 1.26 -1.25 0.04 0.00 0.00 177.00 175.08 2jfk s PRO 636 N -4.75 4.23 0.00 0.56 0.04 -1.26 -2.12 135.00 131.71 2jfk s PRO 636 Ca 0.65 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2jfk s PRO 636 Cb -0.21 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2jfk s PRO 636 CO 0.57 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.78 2jfk n GLY 637 N 0.78 1.50 3.37 0.56 0.00 -1.26 -5.02 105.19 105.12 2jfk n GLY 637 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2jfk n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 638 N -3.19 3.03 0.05 1.61 1.01 -0.90 -4.16 120.40 117.85 2jfk s VAL 638 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2jfk s VAL 638 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2jfk s VAL 638 CO 0.00 0.53 -0.11 0.68 0.00 0.00 0.00 175.10 176.20 2jfk s VAL 639 N 0.32 0.82 0.23 2.92 -7.23 -0.10 -4.58 120.40 112.78 2jfk s VAL 639 Ca -0.11 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.70 2jfk s VAL 639 Cb -0.16 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 2jfk s VAL 639 CO 0.06 -0.21 1.38 -2.16 -0.31 0.00 0.00 175.10 173.86 2jfk s PRO 640 N -1.42 4.32 0.00 4.82 0.04 -1.26 0.07 135.00 141.58 2jfk s PRO 640 Ca -0.04 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2jfk s PRO 640 Cb -0.09 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2jfk s PRO 640 CO 0.01 -0.34 0.33 0.00 0.04 0.00 0.00 177.00 177.04 2jfk n ALA 641 N 2.40 2.34 -3.08 8.56 0.00 0.12 -4.85 120.51 125.99 2jfk n ALA 641 Ca 0.06 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.23 2jfk n ALA 641 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.46 -0.86 -0.15 0.00 2.46 -0.10 0.14 115.29 116.32 2jfk s HIS 643 Ca 0.01 0.40 -0.04 0.00 0.47 0.00 0.00 55.06 55.90 2jfk s HIS 643 Cb 0.01 0.15 -0.24 0.00 -0.13 0.00 0.00 32.58 32.37 2jfk s HIS 643 CO 0.02 -0.52 0.23 0.09 -2.47 0.00 0.00 174.74 172.09 2jfk n ASN 644 N 4.85 2.07 -3.69 9.88 3.02 -0.55 -0.77 115.26 130.06 2jfk n ASN 644 Ca 0.08 0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.67 2jfk n ASN 644 Cb 0.58 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -6.90 0.03 0.42 6.41 1.04 -0.90 -4.03 113.70 109.77 2jfk s SER 645 Ca -0.25 -0.97 0.21 0.00 0.48 0.00 0.00 55.95 55.41 2jfk s SER 645 Cb 0.07 0.67 1.16 0.00 0.10 0.00 0.00 66.02 68.03 2jfk s SER 645 CO 0.73 -1.30 1.79 0.07 0.98 0.00 0.00 173.24 175.52 2jfk h LYS 646 N 2.14 0.33 -0.32 4.02 -0.00 -1.95 -1.85 116.57 118.94 2jfk h LYS 646 Ca -0.26 -0.02 -0.26 0.00 -0.00 0.00 0.00 60.65 60.12 2jfk h LYS 646 Cb 1.25 -0.07 -0.30 0.00 -0.00 0.00 0.00 32.23 33.10 2jfk h LYS 646 CO 0.34 0.22 -0.86 -0.40 -0.00 0.00 0.00 179.45 178.75 2jfk n ASP 647 N -4.54 2.45 -3.66 7.07 5.75 -1.26 -4.12 116.55 118.23 2jfk n ASP 647 Ca 0.24 -2.99 -0.28 0.00 -0.01 0.00 0.00 54.79 51.74 2jfk n ASP 647 Cb 0.89 -0.41 -0.16 0.00 -1.03 0.00 0.00 41.12 40.41 2jfk n ASP 647 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jfk s THR 648 N -3.07 0.35 -0.10 2.12 -4.23 -0.69 -3.93 115.64 106.09 2jfk s THR 648 Ca 0.38 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 2jfk s THR 648 Cb 0.37 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 73.08 2jfk s THR 648 CO -0.05 -0.50 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.62 2jfk s VAL 649 N 1.91 2.32 -0.22 2.29 1.01 -0.87 -1.49 120.40 125.35 2jfk s VAL 649 Ca 0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2jfk s VAL 649 Cb -0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2jfk s VAL 649 CO -0.22 0.55 0.56 -0.89 0.00 0.00 0.00 175.10 175.11 2jfk s THR 650 N 0.22 5.06 0.42 3.92 2.01 -1.26 -1.10 115.64 124.91 2jfk s THR 650 Ca -0.14 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 2jfk s THR 650 Cb -0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2jfk s THR 650 CO 0.07 0.12 0.66 0.27 -0.69 0.00 0.00 174.62 175.05 2jfk s ILE 651 N 1.96 4.70 -0.02 1.82 -4.36 -0.55 0.13 121.20 124.88 2jfk s ILE 651 Ca 0.25 -0.28 -0.05 0.00 -0.26 0.00 0.00 60.65 60.30 2jfk s ILE 651 Cb -0.16 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 39.81 2jfk s ILE 651 CO 0.09 -0.57 0.12 -0.55 0.24 0.00 0.00 174.94 174.27 2jfk s SER 652 N -4.11 -0.02 0.00 4.36 0.15 0.11 -1.88 113.70 112.31 2jfk s SER 652 Ca 0.45 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2jfk s SER 652 Cb -0.10 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2jfk s SER 652 CO 0.39 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2jfk n GLY 653 N 2.13 -0.97 3.76 9.45 0.00 -0.69 -0.93 105.19 117.94 2jfk n GLY 653 Ca -0.19 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 2jfk n GLY 653 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jfk s PRO 654 N -0.76 3.14 0.26 1.61 0.02 -1.26 -0.78 135.00 137.23 2jfk s PRO 654 Ca 0.00 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 2jfk s PRO 654 Cb 0.00 -2.06 0.55 0.00 0.02 0.00 0.00 34.50 33.01 2jfk s PRO 654 CO 0.00 -1.08 1.75 0.37 -0.33 0.00 0.00 177.00 177.71 2jfk h GLN 655 N 1.17 0.58 0.13 5.54 4.15 -1.57 -1.86 115.11 123.25 2jfk h GLN 655 Ca -0.50 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2jfk h GLN 655 Cb 1.29 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2jfk h GLN 655 CO 0.56 0.38 -0.06 0.00 -1.93 0.00 0.00 178.83 177.78 2jfk h ALA 656 N 1.57 -0.59 -0.70 3.38 0.00 -1.92 -0.32 119.26 120.68 2jfk h ALA 656 Ca 0.47 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.49 2jfk h ALA 656 Cb 0.69 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 2jfk h ALA 656 CO -0.38 -0.58 0.14 -1.00 0.00 0.00 0.00 179.25 177.43 2jfk h PRO 657 N -0.29 0.24 0.83 0.00 0.13 -1.95 0.38 132.00 131.34 2jfk h PRO 657 Ca -0.02 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2jfk h PRO 657 Cb 0.14 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 2jfk h PRO 657 CO 0.03 0.16 -0.50 0.28 -0.23 0.00 0.00 178.00 177.74 2jfk h VAL 658 N 0.25 0.01 -0.56 1.56 2.07 -1.43 0.27 116.25 118.42 2jfk h VAL 658 Ca 0.38 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.00 2jfk h VAL 658 Cb 0.64 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2jfk h VAL 658 CO -0.49 0.00 0.38 -0.26 0.02 0.00 0.00 177.57 177.22 2jfk h PHE 659 N -1.24 0.40 -0.10 1.57 -1.00 -0.68 -0.29 116.94 115.60 2jfk h PHE 659 Ca -0.11 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.55 2jfk h PHE 659 Cb 0.99 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 40.42 2jfk h PHE 659 CO -0.09 0.20 -0.43 0.93 -1.61 0.00 0.00 178.31 177.31 2jfk h GLU 660 N 0.38 0.46 -0.04 1.51 5.08 -0.75 -3.04 114.58 118.19 2jfk h GLU 660 Ca 0.26 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2jfk h GLU 660 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jfk h GLU 660 CO -0.07 1.00 -0.34 0.35 -1.00 0.00 0.00 179.01 178.95 2jfk h PHE 661 N 0.04 0.08 -0.02 4.33 3.57 0.50 -1.68 116.94 123.76 2jfk h PHE 661 Ca -0.03 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 2jfk h PHE 661 Cb 1.07 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2jfk h PHE 661 CO 0.12 0.41 -0.54 0.28 -2.23 0.00 0.00 178.31 176.34 2jfk h VAL 662 N 0.06 1.39 -0.34 1.41 2.07 -1.16 -1.14 116.25 118.54 2jfk h VAL 662 Ca 0.01 -1.87 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 2jfk h VAL 662 Cb 0.64 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2jfk h VAL 662 CO 0.05 0.54 -0.07 -0.33 0.02 0.00 0.00 177.57 177.77 2jfk h GLU 663 N 0.04 0.64 -0.57 1.57 3.07 -1.30 -2.20 114.58 115.83 2jfk h GLU 663 Ca -0.00 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.53 2jfk h GLU 663 Cb 0.98 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 2jfk h GLU 663 CO 0.07 0.81 0.02 0.37 -1.40 0.00 0.00 179.01 178.88 2jfk h GLN 664 N 0.43 1.00 -0.13 2.33 4.15 -1.14 0.25 115.11 122.00 2jfk h GLN 664 Ca 0.09 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 2jfk h GLN 664 Cb 0.56 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2jfk h GLN 664 CO 0.03 0.98 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.81 2jfk h LEU 665 N 0.89 0.26 -0.54 -2.39 3.38 -1.30 -2.32 115.31 113.29 2jfk h LEU 665 Ca 0.16 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2jfk h LEU 665 Cb 0.52 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 2jfk h LEU 665 CO 0.03 0.57 0.01 0.03 0.09 0.00 0.00 178.44 179.17 2jfk h ARG 666 N -0.05 0.13 -0.95 1.13 3.08 -1.31 -0.53 114.38 115.87 2jfk h ARG 666 Ca 0.03 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.22 2jfk h ARG 666 Cb 0.46 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 2jfk h ARG 666 CO 0.01 0.08 0.60 0.87 -1.07 0.00 0.00 179.97 180.47 2jfk h LYS 667 N 0.13 0.79 -1.01 0.04 6.56 -0.75 -2.61 116.57 119.72 2jfk h LYS 667 Ca 0.28 -0.05 -0.65 0.00 -1.06 0.00 0.00 60.65 59.18 2jfk h LYS 667 Cb 0.43 -0.18 -0.33 0.00 -0.57 0.00 0.00 32.23 31.58 2jfk h LYS 667 CO -0.45 0.52 0.35 -0.85 -2.06 0.00 0.00 179.45 176.96 2jfk n GLU 668 N -4.61 2.99 -1.33 3.15 0.28 -0.68 -4.92 120.64 115.51 2jfk n GLU 668 Ca 0.19 -3.60 -0.11 0.00 -0.16 0.00 0.00 57.16 53.48 2jfk n GLU 668 Cb 0.45 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.98 2jfk n GLU 668 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jfk n GLY 669 N -0.82 1.18 3.79 -1.84 0.00 -0.98 -4.98 105.19 101.54 2jfk n GLY 669 Ca 0.56 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 2jfk n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 670 N -2.19 5.37 0.37 1.61 1.01 -0.29 -5.02 120.40 121.26 2jfk s VAL 670 Ca 0.00 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 2jfk s VAL 670 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 2jfk s VAL 670 CO 0.00 0.50 1.47 0.33 0.00 0.00 0.00 175.10 177.40 2jfk n PHE 671 N 2.83 2.93 -3.15 5.22 7.35 -1.26 -3.56 117.46 127.82 2jfk n PHE 671 Ca -0.16 0.46 0.05 0.00 -0.76 0.00 0.00 57.45 57.03 2jfk n PHE 671 Cb 0.53 -2.52 -0.01 0.00 0.35 0.00 0.00 39.48 37.83 2jfk n PHE 671 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jfk s ALA 672 N -1.11 -3.19 -0.15 3.13 0.00 -1.26 -3.28 121.76 115.90 2jfk s ALA 672 Ca 0.53 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.89 2jfk s ALA 672 Cb -0.48 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2jfk s ALA 672 CO 0.64 -1.70 -0.11 0.15 0.00 0.00 0.00 175.76 174.73 2jfk s LYS 673 N 2.91 3.37 0.47 0.00 1.02 -0.84 -4.91 119.74 121.76 2jfk s LYS 673 Ca 0.14 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 2jfk s LYS 673 Cb -0.09 -2.71 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 2jfk s LYS 673 CO -0.19 0.10 1.22 -1.21 -0.92 0.00 0.00 175.35 174.35 2jfk s GLU 674 N 0.65 3.64 -0.06 1.68 8.01 -1.26 -0.71 118.70 130.65 2jfk s GLU 674 Ca -0.06 1.92 0.04 0.00 0.01 0.00 0.00 54.97 56.88 2jfk s GLU 674 Cb -0.15 -2.42 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 2jfk s GLU 674 CO 0.02 -0.69 -0.18 0.14 0.01 0.00 0.00 175.26 174.57 2jfk s VAL 675 N -1.46 1.56 -0.38 2.63 -7.23 -0.77 -4.83 120.40 109.92 2jfk s VAL 675 Ca 0.65 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.78 2jfk s VAL 675 Cb -0.32 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 2jfk s VAL 675 CO 0.39 0.45 2.15 -0.13 -0.31 0.00 0.00 175.10 177.65 2jfk s ARG 676 N 0.23 2.77 -0.10 4.82 0.52 -1.26 -4.34 118.95 121.58 2jfk s ARG 676 Ca -0.09 1.52 0.13 0.00 -0.52 0.00 0.00 55.73 56.76 2jfk s ARG 676 Cb -0.14 -4.41 0.31 0.00 0.52 0.00 0.00 34.95 31.23 2jfk s ARG 676 CO 0.04 -2.52 1.22 0.25 0.02 0.00 0.00 175.30 174.31 2jfk n THR 677 N 7.70 1.69 -3.66 0.02 -2.24 -1.26 -4.92 114.28 111.61 2jfk n THR 677 Ca 0.29 -1.71 -0.26 0.00 -2.27 0.00 0.00 64.05 60.11 2jfk n THR 677 Cb 0.49 0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.68 -0.53 2.31 3.38 0.00 -1.26 -1.78 105.19 106.63 2jfk n GLY 678 Ca 0.14 0.22 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.84 0.60 3.79 -0.02 0.00 -1.26 -5.00 105.19 101.45 2jfk n GLY 679 Ca 0.01 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.56 3.06 -0.87 1.61 0.00 -0.73 -0.15 119.30 120.66 2jfk s MET 680 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 55.69 55.17 2jfk s MET 680 Cb 0.00 -2.85 0.24 0.00 0.00 0.00 0.00 34.83 32.21 2jfk s MET 680 CO 0.00 0.63 0.86 0.00 0.00 0.00 0.00 175.02 176.51 2jfk n ALA 681 N 0.99 4.02 -1.35 4.11 0.00 -1.26 -3.89 120.51 123.12 2jfk n ALA 681 Ca -0.12 -4.66 -0.30 0.00 0.00 0.00 0.00 53.44 48.37 2jfk n ALA 681 Cb 0.52 -1.62 0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.77 2.58 -1.32 0.00 0.40 -1.26 -4.03 117.98 112.58 2jfk s PHE 682 Ca 0.30 1.29 -0.08 0.00 -0.60 0.00 0.00 56.93 57.83 2jfk s PHE 682 Cb -0.01 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.41 2jfk s PHE 682 CO -0.08 -2.01 0.53 0.72 0.70 0.00 0.00 175.22 175.09 2jfk n HIS 683 N -3.62 -1.70 -3.96 0.36 8.25 -1.15 -4.83 115.22 108.57 2jfk n HIS 683 Ca 0.07 0.61 -0.11 0.00 -0.26 0.00 0.00 57.72 58.03 2jfk n HIS 683 Cb 0.55 -3.57 -0.02 0.00 1.12 0.00 0.00 29.99 28.07 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 -4.06 0.36 0.53 0.41 1.04 -1.18 -4.36 113.70 106.44 2jfk s SER 684 Ca 0.17 -1.22 0.22 0.00 0.48 0.00 0.00 55.95 55.60 2jfk s SER 684 Cb -0.07 0.72 1.35 0.00 0.10 0.00 0.00 66.02 68.12 2jfk s SER 684 CO 0.89 -1.41 2.05 0.10 0.98 0.00 0.00 173.24 175.85 2jfk h TYR 685 N 2.09 0.00 -0.15 5.02 -0.00 -1.88 -2.05 116.97 120.00 2jfk h TYR 685 Ca -0.29 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.49 2jfk h TYR 685 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.97 2jfk h TYR 685 CO 1.20 0.00 0.42 0.27 -0.00 0.00 0.00 178.16 180.05 2jfk h PHE 686 N 0.00 0.00 -0.00 0.10 -0.00 -1.96 -1.13 116.94 113.96 2jfk h PHE 686 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.14 2jfk h PHE 686 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.62 2jfk h PHE 686 CO -0.00 0.00 -0.51 -1.33 -0.00 0.00 0.00 178.31 176.47 2jfk n MET 687 N -3.14 0.27 0.24 6.09 2.00 -0.77 -4.26 117.12 117.54 2jfk n MET 687 Ca 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 57.70 57.61 2jfk n MET 687 Cb 0.51 -1.50 0.59 0.00 0.00 0.00 0.00 33.22 32.83 2jfk n MET 687 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jfk h GLU 688 N 0.42 0.02 0.00 0.03 4.57 -1.37 -0.72 114.58 117.53 2jfk h GLU 688 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jfk h GLU 688 Cb 0.51 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2jfk h GLU 688 CO 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 179.01 177.90 2jfk n ALA 689 N -2.53 1.41 0.96 2.92 0.00 -1.26 -2.80 120.51 119.21 2jfk n ALA 689 Ca -0.03 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2jfk n ALA 689 Cb 0.13 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 2jfk n ALA 689 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jfk n ILE 690 N -2.23 0.00 0.27 0.00 5.41 -0.28 -4.56 119.36 117.96 2jfk n ILE 690 Ca 0.01 -0.02 -0.15 0.00 1.00 0.00 0.00 62.75 63.59 2jfk n ILE 690 Cb 0.15 0.98 -0.08 0.00 -0.71 0.00 0.00 39.64 39.98 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 2.93 -0.68 -0.50 -1.39 0.00 -1.54 -2.37 119.26 115.71 2jfk h ALA 691 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jfk h ALA 691 Cb 0.50 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2jfk h ALA 691 CO 0.00 -0.76 0.11 -1.35 0.00 0.00 0.00 179.25 177.24 2jfk h PRO 692 N -0.92 0.24 -0.22 0.00 0.11 -1.80 0.36 132.00 129.77 2jfk h PRO 692 Ca -0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 2jfk h PRO 692 Cb 0.60 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2jfk h PRO 692 CO 0.11 0.16 0.07 -1.35 -0.21 0.00 0.00 178.00 176.78 2jfk h PRO 693 N 0.24 0.35 -0.46 1.05 0.11 -1.84 -2.24 132.00 129.22 2jfk h PRO 693 Ca 0.25 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2jfk h PRO 693 Cb 0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2jfk h PRO 693 CO -0.32 0.44 0.30 1.25 -0.21 0.00 0.00 178.00 179.46 2jfk h LEU 694 N 0.19 0.53 -1.40 2.35 5.85 -0.94 -1.22 115.31 120.67 2jfk h LEU 694 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2jfk h LEU 694 Cb 0.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2jfk h LEU 694 CO -0.00 0.39 0.31 0.25 -0.34 0.00 0.00 178.44 179.04 2jfk h LEU 695 N 0.62 0.63 -0.31 2.25 5.85 -0.26 0.14 115.31 124.22 2jfk h LEU 695 Ca 0.17 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2jfk h LEU 695 Cb -0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2jfk h LEU 695 CO -0.04 0.49 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.89 2jfk h GLN 696 N 0.72 0.59 -0.14 1.25 4.15 -0.72 -1.81 115.11 119.15 2jfk h GLN 696 Ca 0.19 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2jfk h GLN 696 Cb -0.01 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 2jfk h GLN 696 CO -0.03 0.76 -0.09 0.93 -1.93 0.00 0.00 178.83 178.47 2jfk h GLU 697 N 0.37 0.31 0.00 1.69 4.39 -0.44 -3.14 114.58 117.75 2jfk h GLU 697 Ca 0.08 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2jfk h GLU 697 Cb 0.53 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2jfk h GLU 697 CO 0.03 0.66 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.18 2jfk h LEU 698 N -0.04 0.00 -1.56 1.33 3.38 -0.82 -2.14 115.31 115.46 2jfk h LEU 698 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jfk h LEU 698 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2jfk h LEU 698 CO 0.02 0.29 0.32 0.11 0.09 0.00 0.00 178.44 179.27 2jfk h LYS 699 N 0.00 0.58 0.02 1.13 1.79 -1.28 0.18 116.57 118.99 2jfk h LYS 699 Ca -0.00 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.22 2jfk h LYS 699 Cb 0.80 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2jfk h LYS 699 CO 0.04 0.38 -1.00 0.87 -1.08 0.00 0.00 179.45 178.66 2jfk h LYS 700 N 0.59 0.05 0.30 3.15 1.57 -1.42 -3.37 116.57 117.45 2jfk h LYS 700 Ca 0.18 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2jfk h LYS 700 Cb 0.01 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jfk h LYS 700 CO -0.04 1.00 -0.14 0.28 -0.57 0.00 0.00 179.45 179.98 2jfk h VAL 701 N 0.02 0.00 -2.79 0.50 2.07 -0.95 -3.39 116.25 111.71 2jfk h VAL 701 Ca -0.03 -0.58 -0.78 0.00 0.82 0.00 0.00 66.70 66.13 2jfk h VAL 701 Cb 1.74 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 31.27 2jfk h VAL 701 CO 0.14 0.00 0.96 -0.38 0.02 0.00 0.00 177.57 178.31 2jfk n ILE 702 N -4.70 4.59 -2.89 4.57 5.41 0.55 -4.91 119.36 121.97 2jfk n ILE 702 Ca -0.05 -5.17 -0.33 0.00 1.00 0.00 0.00 62.75 58.20 2jfk n ILE 702 Cb 0.16 -2.44 -0.07 0.00 -0.71 0.00 0.00 39.64 36.58 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 -0.51 4.18 -0.84 0.38 0.52 -1.26 -4.31 118.95 117.11 2jfk s ARG 703 Ca 0.36 1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 56.55 2jfk s ARG 703 Cb -0.03 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 2jfk s ARG 703 CO -0.01 0.01 0.67 -0.85 0.02 0.00 0.00 175.30 175.13 2jfk n GLU 704 N -0.57 -1.40 -1.69 3.54 0.28 -1.26 -4.86 120.64 114.68 2jfk n GLU 704 Ca 0.06 0.98 -0.43 0.00 -0.16 0.00 0.00 57.16 57.61 2jfk n GLU 704 Cb 0.54 -3.84 -0.03 0.00 1.43 0.00 0.00 31.44 29.54 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 -2.55 2.61 -3.31 3.44 -0.02 -1.26 -4.99 135.00 128.92 2jfk n PRO 705 Ca -0.17 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 2jfk n PRO 705 Cb 0.61 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 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 1.94 3.67 0.35 -0.52 1.02 -1.26 -4.91 119.74 120.03 2jfk s LYS 706 Ca 0.80 0.09 -0.24 0.00 0.02 0.00 0.00 55.97 56.63 2jfk s LYS 706 Cb -0.55 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.04 2jfk s LYS 706 CO 0.37 0.21 0.94 -1.25 -0.92 0.00 0.00 175.35 174.70 2jfk s PRO 707 N -3.47 4.47 0.26 -1.68 0.04 -1.26 -2.71 135.00 130.65 2jfk s PRO 707 Ca 0.45 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 2jfk s PRO 707 Cb -0.11 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 2jfk s PRO 707 CO 0.29 0.19 1.11 1.03 0.04 0.00 0.00 177.00 179.66 2jfk s ARG 708 N -2.39 4.62 0.80 4.56 0.52 -0.19 -4.74 118.95 122.12 2jfk s ARG 708 Ca 0.54 1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 57.43 2jfk s ARG 708 Cb -0.16 -3.20 0.07 0.00 0.52 0.00 0.00 34.95 32.18 2jfk s ARG 708 CO 0.20 0.16 1.15 -1.54 0.02 0.00 0.00 175.30 175.29 2jfk s SER 709 N -0.67 4.58 0.09 0.23 1.04 -1.26 -4.90 113.70 112.80 2jfk s SER 709 Ca 0.46 0.92 0.18 0.00 0.48 0.00 0.00 55.95 57.99 2jfk s SER 709 Cb -0.32 -1.51 0.75 0.00 0.10 0.00 0.00 66.02 65.04 2jfk s SER 709 CO 0.40 -1.87 1.56 0.00 0.98 0.00 0.00 173.24 174.30 2jfk n ALA 710 N -3.32 1.68 0.14 5.32 0.00 -1.26 -2.48 120.51 120.60 2jfk n ALA 710 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2jfk n ALA 710 Cb 0.60 -1.29 0.22 0.00 0.00 0.00 0.00 19.45 18.97 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 0.05 -5.06 0.00 3.08 -1.93 -3.43 114.38 107.11 2jfk h ARG 711 Ca 0.00 -0.03 -0.68 0.00 0.07 0.00 0.00 59.98 59.34 2jfk h ARG 711 Cb 0.30 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.18 2jfk h ARG 711 CO 0.00 0.57 0.09 -0.46 -1.07 0.00 0.00 179.97 179.10 2jfk s TRP 712 N -3.84 3.03 -0.10 3.04 -0.00 -1.03 -1.19 118.94 118.84 2jfk s TRP 712 Ca -0.02 -0.47 -0.25 0.00 -0.00 0.00 0.00 56.10 55.36 2jfk s TRP 712 Cb 0.13 -3.56 -0.03 0.00 -0.00 0.00 0.00 33.47 30.01 2jfk s TRP 712 CO 0.76 -1.05 0.78 -0.51 -0.00 0.00 0.00 176.95 176.93 2jfk s LEU 713 N 2.74 4.26 0.29 5.86 1.43 -0.74 -4.85 118.68 127.68 2jfk s LEU 713 Ca 0.17 1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 54.21 2jfk s LEU 713 Cb -0.18 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 2jfk s LEU 713 CO 0.13 -0.25 1.00 -0.55 0.23 0.00 0.00 176.35 176.91 2jfk s SER 714 N 0.98 7.35 0.00 2.29 0.15 -1.26 -4.42 113.70 118.79 2jfk s SER 714 Ca 0.39 2.02 0.14 0.00 0.70 0.00 0.00 55.95 59.20 2jfk s SER 714 Cb -0.18 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2jfk s SER 714 CO 0.17 -0.07 0.78 0.35 1.20 0.00 0.00 173.24 175.67 2jfk n THR 715 N 0.97 0.00 0.41 6.45 -2.24 -1.26 -4.50 114.28 114.11 2jfk n THR 715 Ca 0.00 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.55 2jfk n THR 715 Cb 0.47 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 2jfk n THR 715 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jfk n SER 716 N -0.24 0.49 -3.98 3.42 3.41 -1.26 0.52 113.62 115.98 2jfk n SER 716 Ca 0.06 -0.25 -0.27 0.00 -0.26 0.00 0.00 58.87 58.15 2jfk n SER 716 Cb 0.30 1.23 -0.17 0.00 -0.26 0.00 0.00 64.21 65.31 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 -3.29 1.27 0.64 -1.33 1.01 -1.26 -4.82 121.20 113.43 2jfk s ILE 717 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 2jfk s ILE 717 Cb 0.14 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2jfk s ILE 717 CO 0.85 0.40 1.14 -2.65 0.00 0.00 0.00 174.94 174.68 2jfk n PRO 718 N 4.54 0.96 -0.32 2.79 -0.02 -1.26 -4.75 135.00 136.94 2jfk n PRO 718 Ca -0.17 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2jfk n PRO 718 Cb 0.51 -2.37 0.32 0.00 -0.02 0.00 0.00 33.50 31.94 2jfk n PRO 718 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jfk h GLU 719 N 0.41 0.50 -1.10 -0.52 4.81 -1.98 1.09 114.58 117.78 2jfk h GLU 719 Ca -0.50 -0.03 0.31 0.00 -0.13 0.00 0.00 59.36 59.01 2jfk h GLU 719 Cb 1.35 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 2jfk h GLU 719 CO 0.51 0.33 0.71 0.00 -0.73 0.00 0.00 179.01 179.84 2jfk h ALA 720 N 1.69 2.38 -0.61 2.92 0.00 -2.00 -1.80 119.26 121.85 2jfk h ALA 720 Ca 0.58 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2jfk h ALA 720 Cb 1.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jfk h ALA 720 CO -0.48 -0.83 0.00 1.04 0.00 0.00 0.00 179.25 178.98 2jfk n GLN 721 N -4.62 3.48 -0.01 0.00 1.13 0.37 -4.40 117.38 113.34 2jfk n GLN 721 Ca 0.28 -2.79 -0.12 0.00 -1.94 0.00 0.00 57.00 52.43 2jfk n GLN 721 Cb 1.01 -1.79 -0.08 0.00 0.11 0.00 0.00 30.24 29.49 2jfk n GLN 721 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2jfk h TRP 722 N 3.80 0.06 -0.43 1.08 6.55 -1.13 -3.27 115.95 122.61 2jfk h TRP 722 Ca 0.00 -0.01 -0.23 0.00 0.95 0.00 0.00 58.89 59.60 2jfk h TRP 722 Cb 1.33 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 29.58 2jfk h TRP 722 CO 0.67 0.36 0.70 -3.38 -1.05 0.00 0.00 178.44 175.73 2jfk s HIS 723 N -4.91 1.70 0.31 0.49 -3.43 -1.26 -4.42 115.29 103.77 2jfk s HIS 723 Ca -0.15 1.03 -0.19 0.00 -0.80 0.00 0.00 55.06 54.95 2jfk s HIS 723 Cb 0.04 -3.81 0.05 0.00 -1.43 0.00 0.00 32.58 27.42 2jfk s HIS 723 CO 0.68 -1.22 0.81 -1.54 -2.00 0.00 0.00 174.74 171.47 2jfk s SER 724 N 7.60 -0.10 0.03 7.38 1.04 -1.23 -5.05 113.70 123.37 2jfk s SER 724 Ca 0.74 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 2jfk s SER 724 Cb -0.04 0.74 -0.30 0.00 0.10 0.00 0.00 66.02 66.53 2jfk s SER 724 CO 0.11 -1.44 0.97 -1.28 0.98 0.00 0.00 173.24 172.58 2jfk h SER 725 N 2.00 0.52 -0.00 7.02 0.87 -1.88 -2.05 113.55 120.03 2jfk h SER 725 Ca -0.27 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 2jfk h SER 725 Cb 1.25 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2jfk h SER 725 CO 0.33 1.50 -0.01 0.25 -0.53 0.00 0.00 176.83 178.38 2jfk h LEU 726 N 0.09 -0.02 -1.56 2.23 5.85 -1.92 -2.80 115.31 117.18 2jfk h LEU 726 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jfk h LEU 726 Cb 2.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.08 2jfk h LEU 726 CO 0.20 -0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2jfk h ALA 727 N 0.99 1.00 -0.68 1.25 0.00 -1.79 -3.30 119.26 116.74 2jfk h ALA 727 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jfk h ALA 727 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2jfk h ALA 727 CO -0.01 0.00 0.32 -0.09 0.00 0.00 0.00 179.25 179.48 2jfk h ARG 728 N 0.00 0.96 -4.83 0.00 1.12 -1.08 -3.43 114.38 107.12 2jfk h ARG 728 Ca 0.00 -0.13 -0.29 0.00 -1.11 0.00 0.00 59.98 58.46 2jfk h ARG 728 Cb 0.45 -0.18 -0.15 0.00 -0.01 0.00 0.00 29.97 30.08 2jfk h ARG 728 CO 0.00 0.74 -0.67 0.95 -3.11 0.00 0.00 179.97 177.88 2jfk s THR 729 N -5.55 0.77 -1.41 0.20 -4.23 -1.24 -1.02 115.64 103.15 2jfk s THR 729 Ca -0.11 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 2jfk s THR 729 Cb 0.17 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 72.05 2jfk s THR 729 CO 0.80 -0.57 2.33 -0.24 -0.54 0.00 0.00 174.62 176.40 2jfk n SER 730 N -0.21 6.32 -4.65 3.99 2.88 -1.10 -4.67 113.62 116.18 2jfk n SER 730 Ca -0.08 -2.93 -0.29 0.00 -1.33 0.00 0.00 58.87 54.24 2jfk n SER 730 Cb 0.62 -1.51 0.15 0.00 -0.75 0.00 0.00 64.21 62.72 2jfk n SER 730 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jfk s SER 731 N 1.62 3.30 0.44 -3.46 0.01 -1.26 -4.79 113.70 109.56 2jfk s SER 731 Ca 0.52 0.86 0.10 0.00 1.31 0.00 0.00 55.95 58.73 2jfk s SER 731 Cb 0.15 -1.35 0.98 0.00 0.21 0.00 0.00 66.02 66.01 2jfk s SER 731 CO -0.06 -2.67 2.08 0.00 0.41 0.00 0.00 173.24 173.00 2jfk h ALA 732 N -1.58 1.81 -0.11 1.44 0.00 -1.83 -2.00 119.26 117.00 2jfk h ALA 732 Ca -0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2jfk h ALA 732 Cb 1.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jfk h ALA 732 CO 0.57 0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.92 2jfk h GLU 733 N 0.39 0.20 -0.65 0.00 3.07 -1.92 -2.10 114.58 113.57 2jfk h GLU 733 Ca 0.12 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 58.99 2jfk h GLU 733 Cb -0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 2jfk h GLU 733 CO -0.03 0.44 0.32 -0.92 -1.40 0.00 0.00 179.01 177.42 2jfk h TYR 734 N -0.07 0.58 -0.51 4.33 3.20 -1.73 -0.66 116.97 122.12 2jfk h TYR 734 Ca 0.03 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2jfk h TYR 734 Cb 0.35 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2jfk h TYR 734 CO 0.03 0.23 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.83 2jfk h ASN 735 N 0.57 0.87 -0.23 -2.11 2.35 -1.35 -1.66 115.58 114.03 2jfk h ASN 735 Ca 0.31 -0.24 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 2jfk h ASN 735 Cb 0.28 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jfk h ASN 735 CO -0.23 0.95 -0.50 0.58 -1.65 0.00 0.00 177.43 176.58 2jfk h VAL 736 N 0.81 1.28 -0.80 2.81 2.07 -0.98 -2.99 116.25 118.45 2jfk h VAL 736 Ca 0.15 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 66.00 2jfk h VAL 736 Cb 0.54 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2jfk h VAL 736 CO 0.03 0.55 0.51 -1.13 0.02 0.00 0.00 177.57 177.55 2jfk h ASN 737 N 0.63 0.86 -0.58 0.57 -1.24 -0.94 -2.43 115.58 112.45 2jfk h ASN 737 Ca 0.03 -0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.14 2jfk h ASN 737 Cb 1.08 -0.20 -0.08 0.00 0.73 0.00 0.00 38.32 39.85 2jfk h ASN 737 CO 0.11 0.60 0.11 -1.13 -1.29 0.00 0.00 177.43 175.82 2jfk h ASN 738 N 1.01 -0.03 -0.41 1.15 -0.73 -1.20 0.16 115.58 115.52 2jfk h ASN 738 Ca 0.31 0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.52 2jfk h ASN 738 Cb -0.02 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 2jfk h ASN 738 CO -0.10 -0.00 0.00 0.25 -0.37 0.00 0.00 177.43 177.21 2jfk h LEU 739 N 0.23 0.78 0.02 0.34 5.85 -1.30 -3.21 115.31 118.02 2jfk h LEU 739 Ca 0.30 -0.19 -0.31 0.00 0.84 0.00 0.00 57.88 58.52 2jfk h LEU 739 Cb 0.45 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2jfk h LEU 739 CO -0.40 0.84 -1.82 0.52 -0.34 0.00 0.00 178.44 177.24 2jfk n VAL 740 N -4.21 1.63 -2.75 1.05 0.31 -1.06 -2.95 118.33 110.35 2jfk n VAL 740 Ca 0.03 -0.77 -0.30 0.00 -0.01 0.00 0.00 64.34 63.29 2jfk n VAL 740 Cb 0.30 -1.15 -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 -6.25 6.48 0.92 4.52 0.01 0.54 -3.12 113.70 116.80 2jfk s SER 741 Ca -0.09 1.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 2jfk s SER 741 Cb 0.08 -2.33 0.15 0.00 0.21 0.00 0.00 66.02 64.12 2jfk s SER 741 CO 0.81 -0.46 1.12 -2.16 0.41 0.00 0.00 173.24 172.96 2jfk s PRO 742 N -4.04 1.01 -0.58 12.44 0.04 -1.26 -4.65 135.00 137.95 2jfk s PRO 742 Ca 0.51 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 2jfk s PRO 742 Cb -0.10 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.79 2jfk s PRO 742 CO 0.34 -2.57 0.70 0.08 0.04 0.00 0.00 177.00 175.60 2jfk s VAL 743 N -2.69 4.81 -1.35 -0.36 1.01 0.12 -4.48 120.40 117.46 2jfk s VAL 743 Ca 0.66 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2jfk s VAL 743 Cb -0.22 -4.47 0.12 0.00 0.00 0.00 0.00 36.38 31.81 2jfk s VAL 743 CO 0.58 -1.10 2.01 0.18 0.00 0.00 0.00 175.10 176.78 2jfk n LEU 744 N 6.37 6.76 -0.06 3.92 4.77 0.19 -0.93 117.00 138.02 2jfk n LEU 744 Ca -0.09 -4.47 -0.05 0.00 -0.03 0.00 0.00 56.01 51.37 2jfk n LEU 744 Cb 0.43 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 2jfk n LEU 744 CO 0.58 1.30 0.05 0.15 -1.33 0.00 0.00 177.39 178.14 2jfk h PHE 745 N 5.81 0.00 -0.93 -1.77 3.57 -1.73 -3.20 116.94 118.69 2jfk h PHE 745 Ca 0.46 0.00 0.21 0.00 3.53 0.00 0.00 57.97 62.18 2jfk h PHE 745 Cb 0.63 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.25 2jfk h PHE 745 CO 1.33 0.31 0.48 0.37 -2.23 0.00 0.00 178.31 178.57 2jfk h GLN 746 N -1.00 0.51 -0.40 1.11 -0.00 -1.09 0.74 115.11 114.97 2jfk h GLN 746 Ca -0.01 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 2jfk h GLN 746 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 2jfk h GLN 746 CO -0.01 0.34 0.02 0.93 0.00 0.00 0.00 178.83 180.11 2jfk h GLU 747 N 0.52 0.63 -0.24 1.69 3.07 -1.83 -1.66 114.58 116.76 2jfk h GLU 747 Ca 0.57 -0.14 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 2jfk h GLU 747 Cb 1.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2jfk h GLU 747 CO -0.47 0.64 -0.38 0.00 -1.40 0.00 0.00 179.01 177.39 2jfk h ALA 748 N 1.43 0.37 -0.27 3.43 0.00 -0.89 -3.17 119.26 120.16 2jfk h ALA 748 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jfk h ALA 748 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jfk h ALA 748 CO 0.01 0.46 0.18 -0.07 0.00 0.00 0.00 179.25 179.83 2jfk h LEU 749 N 0.40 0.23 -1.47 0.00 3.38 -0.74 -1.74 115.31 115.38 2jfk h LEU 749 Ca 0.02 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.24 2jfk h LEU 749 Cb 0.98 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2jfk h LEU 749 CO 0.09 0.16 0.66 -0.25 0.09 0.00 0.00 178.44 179.19 2jfk h TRP 750 N 0.27 0.56 0.00 1.13 7.01 -1.29 -1.31 115.95 122.33 2jfk h TRP 750 Ca 0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2jfk h TRP 750 Cb 0.11 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 2jfk h TRP 750 CO -0.00 0.08 0.00 0.45 -2.79 0.00 0.00 178.44 176.18 2jfk h HIS 751 N 0.36 0.00 -2.67 2.65 3.86 -1.46 -3.45 115.15 114.43 2jfk h HIS 751 Ca 0.55 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.22 2jfk h HIS 751 Cb 1.48 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.95 2jfk h HIS 751 CO -0.00 0.00 1.02 0.08 0.86 0.00 0.00 177.93 179.89 2jfk s VAL 752 N -3.21 3.35 1.19 2.45 1.01 -0.50 -4.97 120.40 119.72 2jfk s VAL 752 Ca 0.08 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 2jfk s VAL 752 Cb 0.10 -3.41 0.28 0.00 0.00 0.00 0.00 36.38 33.35 2jfk s VAL 752 CO 0.57 -0.03 1.06 -2.16 0.00 0.00 0.00 175.10 174.55 2jfk s PRO 753 N 3.25 -1.09 0.19 2.72 0.04 -1.26 -4.80 135.00 134.05 2jfk s PRO 753 Ca 0.73 0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 2jfk s PRO 753 Cb -0.36 -1.59 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2jfk s PRO 753 CO 0.31 -3.69 1.75 1.49 0.04 0.00 0.00 177.00 176.90 2jfk h GLU 754 N -2.57 1.05 -0.57 4.56 4.57 -1.96 -3.11 114.58 116.56 2jfk h GLU 754 Ca -0.50 -0.20 -0.34 0.00 -1.18 0.00 0.00 59.36 57.15 2jfk h GLU 754 Cb 1.32 -0.17 -0.20 0.00 -0.16 0.00 0.00 28.75 29.54 2jfk h GLU 754 CO 0.42 0.88 0.03 0.72 -1.18 0.00 0.00 179.01 179.87 2jfk n HIS 755 N -4.36 1.84 -2.00 0.92 8.25 -1.26 -3.45 115.22 115.15 2jfk n HIS 755 Ca 0.05 -1.90 -0.36 0.00 -0.26 0.00 0.00 57.72 55.25 2jfk n HIS 755 Cb 0.19 -0.65 0.03 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.38 2.60 -0.24 -1.41 0.00 -1.18 -4.25 121.76 113.91 2jfk s ALA 756 Ca 0.50 1.04 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 2jfk s ALA 756 Cb 0.43 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2jfk s ALA 756 CO 0.02 -1.16 0.04 0.08 0.00 0.00 0.00 175.76 174.74 2jfk s VAL 757 N -1.55 4.10 -0.17 0.00 1.01 0.48 -1.30 120.40 122.96 2jfk s VAL 757 Ca 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2jfk s VAL 757 Cb -0.31 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2jfk s VAL 757 CO 0.35 0.37 -0.16 -0.69 0.00 0.00 0.00 175.10 174.97 2jfk s VAL 758 N 1.49 2.51 -0.23 2.92 1.01 0.74 -0.65 120.40 128.18 2jfk s VAL 758 Ca 0.06 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2jfk s VAL 758 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2jfk s VAL 758 CO 0.02 0.51 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 2jfk s LEU 759 N 1.11 3.40 -0.30 3.92 1.43 -0.21 0.04 118.68 128.07 2jfk s LEU 759 Ca 0.00 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 2jfk s LEU 759 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2jfk s LEU 759 CO -0.06 0.01 0.97 -0.70 0.23 0.00 0.00 176.35 176.80 2jfk s GLU 760 N 1.35 4.06 -0.51 1.70 2.12 -0.12 -1.14 118.70 126.16 2jfk s GLU 760 Ca 0.05 0.95 -0.14 0.00 0.36 0.00 0.00 54.97 56.19 2jfk s GLU 760 Cb -0.15 -3.72 0.12 0.00 0.26 0.00 0.00 34.13 30.65 2jfk s GLU 760 CO 0.03 -0.78 0.44 0.42 -0.54 0.00 0.00 175.26 174.82 2jfk s ILE 761 N 3.34 4.85 -0.19 -3.70 1.01 0.19 -3.70 121.20 123.00 2jfk s ILE 761 Ca 0.41 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 2jfk s ILE 761 Cb -0.13 -4.12 0.14 0.00 0.01 0.00 0.00 42.46 38.35 2jfk s ILE 761 CO 0.13 -0.81 1.05 0.00 0.00 0.00 0.00 174.94 175.31 2jfk s ALA 762 N 1.52 -1.97 0.38 9.38 0.00 -1.26 -2.34 121.76 127.47 2jfk s ALA 762 Ca 0.04 1.66 0.37 0.00 0.00 0.00 0.00 51.96 54.03 2jfk s ALA 762 Cb -0.28 -0.92 1.83 0.00 0.00 0.00 0.00 23.12 23.75 2jfk s ALA 762 CO 0.02 -0.29 2.16 -1.00 0.00 0.00 0.00 175.76 176.65 2jfk h PRO 763 N 2.70 0.00 -3.11 0.00 0.13 -1.88 -3.36 132.00 126.47 2jfk h PRO 763 Ca -0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.72 2jfk h PRO 763 Cb 1.17 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 2jfk h PRO 763 CO 0.27 0.02 -0.55 -1.58 -0.23 0.00 0.00 178.00 175.93 2jfk s HIS 764 N -3.94 -0.25 -1.26 1.56 5.65 -1.25 -4.03 115.29 111.77 2jfk s HIS 764 Ca -0.02 0.65 -0.18 0.00 0.25 0.00 0.00 55.06 55.77 2jfk s HIS 764 Cb 0.11 -0.05 -0.00 0.00 -1.18 0.00 0.00 32.58 31.46 2jfk s HIS 764 CO 0.49 -0.22 2.00 0.00 -0.65 0.00 0.00 174.74 176.37 2jfk n ALA 765 N 4.43 4.17 0.12 1.58 0.00 -0.94 -4.70 120.51 125.17 2jfk n ALA 765 Ca -0.22 -3.67 -0.03 0.00 0.00 0.00 0.00 53.44 49.52 2jfk n ALA 765 Cb 0.52 -3.57 0.10 0.00 0.00 0.00 0.00 19.45 16.49 2jfk n ALA 765 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfk h LEU 766 N 12.27 0.00 -0.49 0.00 5.85 -1.94 -3.16 115.31 127.84 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 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2jfk h LEU 766 CO 1.71 0.71 0.00 0.18 -0.34 0.00 0.00 178.44 180.70 2jfk n LEU 767 N -3.67 0.75 -0.20 2.25 4.77 -1.26 -4.33 117.00 115.30 2jfk n LEU 767 Ca -0.01 -0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 2jfk n LEU 767 Cb 0.70 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.82 2jfk n LEU 767 CO 0.43 0.13 0.69 1.56 -1.33 0.00 0.00 177.39 178.88 2jfk h GLN 768 N 1.13 -0.08 -0.07 3.23 1.08 -1.95 0.39 115.11 118.84 2jfk h GLN 768 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2jfk h GLN 768 Cb 0.24 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2jfk h GLN 768 CO 0.00 -0.05 0.02 0.00 -0.95 0.00 0.00 178.83 177.85 2jfk h ALA 769 N 1.34 0.09 -0.88 3.87 0.00 -1.86 -0.72 119.26 121.09 2jfk h ALA 769 Ca 0.27 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2jfk h ALA 769 Cb 0.50 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2jfk h ALA 769 CO -0.65 -0.30 0.54 0.28 0.00 0.00 0.00 179.25 179.13 2jfk h VAL 770 N -0.08 0.99 -0.47 0.00 2.07 -1.62 -2.55 116.25 114.59 2jfk h VAL 770 Ca 0.02 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 2jfk h VAL 770 Cb 0.22 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2jfk h VAL 770 CO -0.00 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.66 2jfk h LEU 771 N 0.95 0.85 -0.66 2.57 3.38 0.11 0.26 115.31 122.77 2jfk h LEU 771 Ca 0.40 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jfk h LEU 771 Cb 0.27 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2jfk h LEU 771 CO -0.21 0.97 0.41 0.11 0.09 0.00 0.00 178.44 179.80 2jfk h LYS 772 N 0.71 0.77 -0.47 1.13 1.57 -0.89 -0.65 116.57 118.73 2jfk h LYS 772 Ca 0.13 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2jfk h LYS 772 Cb 0.55 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2jfk h LYS 772 CO 0.03 0.51 -0.23 0.07 -0.57 0.00 0.00 179.45 179.26 2jfk h ARG 773 N 0.79 0.99 0.00 3.15 -0.00 -1.33 -3.33 114.38 114.65 2jfk h ARG 773 Ca 0.27 -0.43 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 2jfk h ARG 773 Cb 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2jfk h ARG 773 CO -0.11 1.11 -0.39 0.41 -0.00 0.00 0.00 179.97 180.98 2jfk n GLY 774 N -0.09 -1.41 3.53 0.08 0.00 0.07 -4.88 105.19 102.49 2jfk n GLY 774 Ca -0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2jfk n GLY 774 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 775 N -3.60 2.94 0.29 0.99 1.43 -0.29 -4.65 118.68 115.79 2jfk s LEU 775 Ca 0.10 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 2jfk s LEU 775 Cb 0.16 -1.66 -0.13 0.00 0.03 0.00 0.00 46.19 44.58 2jfk s LEU 775 CO 0.66 0.32 1.22 2.29 0.23 0.00 0.00 176.35 181.07 2jfk n LYS 776 N 1.95 1.80 0.12 1.70 2.85 -1.26 -4.81 118.16 120.51 2jfk n LYS 776 Ca -0.17 0.63 0.08 0.00 -1.05 0.00 0.00 58.31 57.81 2jfk n LYS 776 Cb 0.52 -2.16 0.42 0.00 -0.65 0.00 0.00 35.03 33.16 2jfk n LYS 776 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2jfk n PRO 777 N 1.03 0.10 0.00 -1.58 -0.02 -1.26 -1.26 135.00 132.01 2jfk n PRO 777 Ca 0.08 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2jfk n PRO 777 Cb 0.33 -1.87 0.70 0.00 -0.02 0.00 0.00 33.50 32.64 2jfk n PRO 777 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2jfk n SER 778 N -2.04 0.00 -4.79 2.55 3.41 -1.26 -4.84 113.62 106.65 2jfk n SER 778 Ca -0.01 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 2jfk n SER 778 Cb 0.07 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.75 4.65 -0.19 0.00 2.01 -0.42 -4.99 115.64 114.95 2jfk s THR 780 Ca 0.56 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 2jfk s THR 780 Cb -0.18 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2jfk s THR 780 CO 0.23 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 2jfk s ILE 781 N 0.44 3.23 -0.15 1.82 1.01 -1.26 -0.19 121.20 126.10 2jfk s ILE 781 Ca 0.02 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2jfk s ILE 781 Cb -0.13 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2jfk s ILE 781 CO 0.01 0.46 -0.18 -0.63 0.00 0.00 0.00 174.94 174.60 2jfk s ILE 782 N 1.10 1.84 0.38 2.92 1.01 0.11 -4.97 121.20 123.59 2jfk s ILE 782 Ca 0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 2jfk s ILE 782 Cb -0.15 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 2jfk s ILE 782 CO -0.01 0.51 0.72 -2.16 0.00 0.00 0.00 174.94 174.00 2jfk s PRO 783 N 1.21 3.76 -0.05 2.79 0.04 -1.26 -0.95 135.00 140.55 2jfk s PRO 783 Ca 0.01 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.49 2jfk s PRO 783 Cb -0.14 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.89 2jfk s PRO 783 CO -0.09 0.03 0.03 1.28 0.04 0.00 0.00 177.00 178.29 2jfk n LEU 784 N -1.16 0.00 -4.11 -3.56 4.77 -1.24 -4.66 117.00 107.04 2jfk n LEU 784 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2jfk n LEU 784 Cb 0.54 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 2jfk n LEU 784 CO 0.47 0.12 -0.38 -0.04 -1.33 0.00 0.00 177.39 176.23 2jfk s MET 785 N -2.16 0.67 -0.03 3.23 -1.94 -1.26 -3.45 119.30 114.36 2jfk s MET 785 Ca -0.03 -1.12 0.02 0.00 -1.71 0.00 0.00 55.69 52.85 2jfk s MET 785 Cb 0.02 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.78 2jfk s MET 785 CO 0.22 -0.03 -0.07 0.21 -0.01 0.00 0.00 175.02 175.34 2jfk s LYS 786 N -3.18 0.84 -0.01 2.03 2.20 -1.26 -2.22 119.74 118.14 2jfk s LYS 786 Ca 0.04 -0.21 -0.37 0.00 -0.36 0.00 0.00 55.97 55.07 2jfk s LYS 786 Cb 0.01 -0.81 -0.15 0.00 -1.51 0.00 0.00 37.83 35.37 2jfk s LYS 786 CO -0.05 0.03 1.57 1.17 -0.36 0.00 0.00 175.35 177.71 2jfk n LYS 787 N 3.55 1.52 -1.53 4.03 0.00 -1.26 -2.22 118.16 122.26 2jfk n LYS 787 Ca -0.21 0.55 -0.18 0.00 0.00 0.00 0.00 58.31 58.48 2jfk n LYS 787 Cb 0.53 -2.26 -0.08 0.00 0.00 0.00 0.00 35.03 33.22 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 4.00 -5.42 -4.77 3.14 8.00 -1.26 -4.94 116.55 115.30 2jfk n ASP 788 Ca 0.21 0.45 -0.40 0.00 0.71 0.00 0.00 54.79 55.76 2jfk n ASP 788 Cb 0.21 -4.61 0.02 0.00 -0.02 0.00 0.00 41.12 36.72 2jfk n ASP 788 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2jfk s HIS 789 N -2.54 2.44 0.39 1.24 2.46 -0.94 -4.88 115.29 113.45 2jfk s HIS 789 Ca 0.00 1.23 0.13 0.00 0.47 0.00 0.00 55.06 56.89 2jfk s HIS 789 Cb 0.00 -3.97 0.95 0.00 -0.13 0.00 0.00 32.58 29.43 2jfk s HIS 789 CO 0.00 -3.05 1.89 0.07 -2.47 0.00 0.00 174.74 171.17 2jfk h ARG 790 N 2.40 0.53 -1.12 2.88 -0.00 -1.92 -3.39 114.38 113.76 2jfk h ARG 790 Ca -0.51 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.98 59.39 2jfk h ARG 790 Cb 1.26 -0.12 -0.21 0.00 -0.00 0.00 0.00 29.97 30.90 2jfk h ARG 790 CO 0.61 0.35 -0.44 0.34 -0.00 0.00 0.00 179.97 180.83 2jfk s ASP 791 N -5.82 -1.26 0.17 0.08 3.68 -1.26 -5.02 116.67 107.24 2jfk s ASP 791 Ca -0.09 -0.35 0.23 0.00 2.13 0.00 0.00 52.55 54.47 2jfk s ASP 791 Cb 0.22 1.84 0.90 0.00 -1.45 0.00 0.00 42.92 44.43 2jfk s ASP 791 CO 0.78 -0.25 1.71 0.59 0.13 0.00 0.00 175.17 178.13 2jfk n ASN 792 N 4.95 0.52 -0.08 -0.34 3.02 -1.26 -2.23 115.26 119.84 2jfk n ASN 792 Ca 0.07 0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 55.07 2jfk n ASN 792 Cb 0.54 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.98 -0.56 3.41 5.85 -1.94 0.25 115.31 123.30 2jfk h LEU 793 Ca 0.00 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 2jfk h LEU 793 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2jfk h LEU 793 CO 0.00 1.33 0.32 -0.08 -0.34 0.00 0.00 178.44 179.67 2jfk h GLU 794 N 0.66 0.76 -0.32 1.25 4.81 -1.85 -1.19 114.58 118.70 2jfk h GLU 794 Ca 0.01 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2jfk h GLU 794 Cb 1.16 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2jfk h GLU 794 CO 0.12 0.57 -0.08 0.35 -0.73 0.00 0.00 179.01 179.24 2jfk h PHE 795 N 0.75 0.70 -0.34 0.92 3.04 -1.31 -0.24 116.94 120.46 2jfk h PHE 795 Ca 0.20 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 2jfk h PHE 795 Cb 0.01 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 2jfk h PHE 795 CO -0.02 0.80 0.21 0.35 -2.02 0.00 0.00 178.31 177.63 2jfk h PHE 796 N 0.40 0.44 -0.65 0.41 3.57 -0.43 -1.98 116.94 118.70 2jfk h PHE 796 Ca 0.08 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2jfk h PHE 796 Cb 0.58 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2jfk h PHE 796 CO 0.05 0.32 0.12 -0.07 -2.23 0.00 0.00 178.31 176.50 2jfk h LEU 797 N 0.44 1.00 -1.05 0.59 3.38 -1.10 -0.61 115.31 117.95 2jfk h LEU 797 Ca 0.12 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.97 2jfk h LEU 797 Cb -0.00 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2jfk h LEU 797 CO -0.02 0.98 0.63 0.00 0.09 0.00 0.00 178.44 180.12 2jfk h ALA 798 N 1.14 1.50 -0.23 1.53 0.00 -0.81 0.27 119.26 122.67 2jfk h ALA 798 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jfk h ALA 798 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jfk h ALA 798 CO 0.01 0.30 -0.03 0.78 0.00 0.00 0.00 179.25 180.31 2jfk h GLY 799 N 1.05 0.46 1.06 0.00 0.00 -0.53 -1.70 103.07 103.39 2jfk h GLY 799 Ca 0.46 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2jfk h GLY 799 CO -0.21 0.33 0.60 -2.22 0.00 0.00 0.00 176.54 175.03 2jfk h ILE 800 N 0.17 1.20 -0.97 2.60 1.08 -0.67 -0.78 117.51 120.14 2jfk h ILE 800 Ca 0.06 -0.41 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 2jfk h ILE 800 Cb 0.46 -0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.04 2jfk h ILE 800 CO 0.02 0.22 0.63 1.23 -0.69 0.00 0.00 178.15 179.55 2jfk h GLY 801 N 1.20 1.49 2.00 5.37 0.00 -0.10 -1.96 103.07 111.06 2jfk h GLY 801 Ca 0.34 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2jfk h GLY 801 CO -0.09 0.28 -0.25 3.21 0.00 0.00 0.00 176.54 179.69 2jfk h ARG 802 N 1.07 0.00 -0.58 4.80 3.08 -0.23 -2.08 114.38 120.44 2jfk h ARG 802 Ca 0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.49 2jfk h ARG 802 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2jfk h ARG 802 CO -0.19 0.25 0.36 -0.07 -1.07 0.00 0.00 179.97 179.24 2jfk h LEU 803 N 0.00 0.68 0.25 3.04 3.38 -0.85 -0.88 115.31 120.94 2jfk h LEU 803 Ca -0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2jfk h LEU 803 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2jfk h LEU 803 CO 0.03 0.53 -0.29 -0.74 0.09 0.00 0.00 178.44 178.07 2jfk h HIS 804 N 0.78 -0.77 -0.23 1.13 2.76 -1.26 0.15 115.15 117.72 2jfk h HIS 804 Ca 0.21 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2jfk h HIS 804 Cb -0.04 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2jfk h HIS 804 CO -0.02 -0.41 0.21 -0.07 -1.30 0.00 0.00 177.93 176.34 2jfk h LEU 805 N -0.58 0.00 -2.54 0.26 3.38 -1.12 0.63 115.31 115.34 2jfk h LEU 805 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jfk h LEU 805 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jfk h LEU 805 CO -0.08 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.91 2jfk n SER 806 N -4.06 3.76 0.00 -0.43 3.41 -0.36 -4.66 113.62 111.28 2jfk n SER 806 Ca 0.03 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2jfk n SER 806 Cb 0.35 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2jfk n SER 806 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jfk n GLY 807 N 1.39 0.71 3.81 5.00 0.00 0.21 -4.89 105.19 111.43 2jfk n GLY 807 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.22 4.99 -0.51 -0.61 -1.09 0.49 -4.94 121.20 117.31 2jfk s ILE 808 Ca 0.00 0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 59.13 2jfk s ILE 808 Cb 0.00 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2jfk s ILE 808 CO 0.00 0.53 0.81 -0.62 -1.23 0.00 0.00 174.94 174.43 2jfk s ASP 809 N -0.82 6.32 -0.29 3.58 2.15 -1.26 -3.52 116.67 122.83 2jfk s ASP 809 Ca 0.25 -0.45 -0.03 0.00 0.43 0.00 0.00 52.55 52.76 2jfk s ASP 809 Cb -0.17 -2.38 0.10 0.00 -0.30 0.00 0.00 42.92 40.17 2jfk s ASP 809 CO 0.14 -1.05 0.11 0.00 -0.17 0.00 0.00 175.17 174.20 2jfk s ALA 810 N 3.40 1.05 -0.44 3.66 0.00 -1.26 -4.87 121.76 123.29 2jfk s ALA 810 Ca 0.26 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2jfk s ALA 810 Cb -0.14 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.53 2jfk s ALA 810 CO 0.18 -1.61 0.82 1.21 0.00 0.00 0.00 175.76 176.36 2jfk s ASN 811 N 1.87 6.45 0.11 0.00 3.84 -1.26 -4.89 114.94 121.06 2jfk s ASN 811 Ca 0.08 0.01 0.13 0.00 0.21 0.00 0.00 52.86 53.30 2jfk s ASN 811 Cb -0.17 -2.40 0.61 0.00 -0.55 0.00 0.00 41.25 38.74 2jfk s ASN 811 CO -0.29 -0.92 1.41 -0.81 -2.79 0.00 0.00 177.10 173.70 2jfk n PRO 812 N 6.78 0.06 -0.27 0.43 -0.04 -1.26 -2.82 135.00 137.88 2jfk n PRO 812 Ca 0.03 0.43 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 2jfk n PRO 812 Cb 0.48 -1.65 0.43 0.00 -0.04 0.00 0.00 33.50 32.72 2jfk n PRO 812 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2jfk h ASN 813 N 0.00 0.56 -0.59 3.54 2.35 -1.91 -0.24 115.58 119.28 2jfk h ASN 813 Ca 0.00 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2jfk h ASN 813 Cb 0.16 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2jfk h ASN 813 CO 0.00 0.25 0.39 0.00 -1.65 0.00 0.00 177.43 176.42 2jfk h ALA 814 N 1.61 1.77 0.00 -0.83 0.00 -1.83 -2.36 119.26 117.63 2jfk h ALA 814 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2jfk h ALA 814 Cb 0.94 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jfk h ALA 814 CO -0.21 0.15 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 2jfk h LEU 815 N 0.62 0.00 -9.29 0.00 3.38 -1.27 -3.45 115.31 105.29 2jfk h LEU 815 Ca 0.25 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.61 2jfk h LEU 815 Cb 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 2jfk h LEU 815 CO -0.07 0.00 -0.73 -0.36 0.09 0.00 0.00 178.44 177.37 2jfk s PHE 816 N -3.72 2.49 0.42 1.13 0.40 -0.89 -4.43 117.98 113.39 2jfk s PHE 816 Ca 0.00 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.81 2jfk s PHE 816 Cb 0.10 -1.16 -0.11 0.00 0.51 0.00 0.00 43.02 42.36 2jfk s PHE 816 CO 0.48 0.59 0.92 -2.30 0.70 0.00 0.00 175.22 175.61 2jfk n PRO 817 N -0.31 1.18 -1.27 0.24 -0.02 -1.26 -4.96 135.00 128.60 2jfk n PRO 817 Ca -0.09 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 2jfk n PRO 817 Cb 0.58 -1.93 0.16 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.93 0.80 -0.45 0.52 0.04 -1.26 -4.93 135.00 127.79 2jfk s PRO 818 Ca 0.63 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2jfk s PRO 818 Cb -0.57 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.32 2jfk s PRO 818 CO 0.57 -2.48 2.52 1.33 0.04 0.00 0.00 177.00 178.97 2jfk n VAL 819 N -4.01 3.22 1.49 -0.36 0.24 -1.26 -5.10 118.33 112.56 2jfk n VAL 819 Ca 0.06 -2.74 0.12 0.00 -2.04 0.00 0.00 64.34 59.74 2jfk n VAL 819 Cb 0.57 -1.49 0.71 0.00 -1.47 0.00 0.00 33.84 32.16 2jfk n VAL 819 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07