#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfw n GLU 2 N 0.00 0.00 -1.57 2.12 2.13 -0.93 -4.98 120.64 117.41 1jfw n GLU 2 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1jfw n GLU 2 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1jfw n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jfw n PRO 3 N -1.91 2.70 0.10 5.31 -0.04 -1.24 -4.80 135.00 135.11 1jfw n PRO 3 Ca 0.00 -2.41 -0.06 0.00 -0.04 0.00 0.00 63.50 61.00 1jfw n PRO 3 Cb 0.00 -3.16 -0.03 0.00 -0.04 0.00 0.00 33.50 30.27 1jfw n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfw h VAL 4 N 3.96 0.06 -2.82 0.52 2.07 -1.84 0.38 116.25 118.57 1jfw h VAL 4 Ca 0.58 -0.78 -0.53 0.00 0.82 0.00 0.00 66.70 66.79 1jfw h VAL 4 Cb 0.59 0.10 0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1jfw h VAL 4 CO 1.88 0.02 0.88 -1.81 0.02 0.00 0.00 177.57 178.56 1jfw s ASP 5 N -5.18 6.64 -1.03 0.57 1.01 -1.26 -4.62 116.67 112.80 1jfw s ASP 5 Ca -0.06 2.51 -0.22 0.00 0.71 0.00 0.00 52.55 55.50 1jfw s ASP 5 Cb 0.00 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.41 1jfw s ASP 5 CO 0.17 -0.81 1.44 -2.16 0.21 0.00 0.00 175.17 174.03 1jfw s PRO 6 N 1.57 3.63 -0.43 8.23 0.04 -1.26 -4.63 135.00 142.14 1jfw s PRO 6 Ca 0.70 -1.28 0.06 0.00 0.04 0.00 0.00 61.00 60.52 1jfw s PRO 6 Cb -0.41 -5.32 0.21 0.00 0.04 0.00 0.00 34.50 29.01 1jfw s PRO 6 CO 0.31 -2.16 0.53 -2.13 0.04 0.00 0.00 177.00 173.59 1jfw n ARG 7 N 8.55 0.48 -4.87 4.56 0.63 -1.26 -4.76 116.66 119.98 1jfw n ARG 7 Ca 0.33 -2.82 -0.26 0.00 -0.92 0.00 0.00 57.85 54.18 1jfw n ARG 7 Cb 0.50 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 31.79 1jfw n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1jfw s LEU 8 N -0.28 2.08 0.31 6.15 1.43 -1.26 -4.80 118.68 122.30 1jfw s LEU 8 Ca 0.33 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1jfw s LEU 8 Cb 0.10 -1.01 0.49 0.00 0.03 0.00 0.00 46.19 45.80 1jfw s LEU 8 CO -0.15 0.22 1.96 1.05 0.23 0.00 0.00 176.35 179.65 1jfw h GLU 9 N 5.41 0.98 -4.18 1.70 9.09 -2.04 -3.32 114.58 122.22 1jfw h GLU 9 Ca -0.40 -0.08 -0.68 0.00 0.05 0.00 0.00 59.36 58.26 1jfw h GLU 9 Cb 1.15 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 1jfw h GLU 9 CO 0.47 0.68 2.77 -0.35 0.05 0.00 0.00 179.01 182.63 1jfw n PRO 10 N -4.40 2.26 -2.30 1.06 -0.04 -1.26 -4.94 135.00 125.38 1jfw n PRO 10 Ca 0.08 -2.24 -0.35 0.00 -0.04 0.00 0.00 63.50 60.94 1jfw n PRO 10 Cb 0.06 -3.10 -0.04 0.00 -0.04 0.00 0.00 33.50 30.38 1jfw n PRO 10 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1jfw s TRP 11 N 3.98 2.12 -0.42 0.54 -0.11 -1.25 -4.80 118.94 118.99 1jfw s TRP 11 Ca 0.52 0.01 0.07 0.00 1.22 0.00 0.00 56.10 57.92 1jfw s TRP 11 Cb 0.14 -4.37 0.23 0.00 -1.50 0.00 0.00 33.47 27.97 1jfw s TRP 11 CO 0.00 -1.93 0.49 1.17 -4.62 0.00 0.00 176.95 172.07 1jfw n LYS 12 N 8.97 0.74 -3.33 5.86 4.81 -1.26 -5.07 118.16 128.88 1jfw n LYS 12 Ca 0.31 -3.35 -0.15 0.00 -0.87 0.00 0.00 58.31 54.25 1jfw n LYS 12 Cb 0.49 -1.43 -0.07 0.00 0.02 0.00 0.00 35.03 34.05 1jfw n LYS 12 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1jfw s HIS 13 N -0.98 -0.41 -0.27 5.64 2.46 -1.26 -3.35 115.29 117.12 1jfw s HIS 13 Ca 0.35 -0.79 0.27 0.00 0.47 0.00 0.00 55.06 55.35 1jfw s HIS 13 Cb 0.13 -0.34 0.72 0.00 -0.13 0.00 0.00 32.58 32.96 1jfw s HIS 13 CO -0.13 -0.99 1.75 -1.00 -2.47 0.00 0.00 174.74 171.90 1jfw h PRO 14 N 6.91 0.00 0.00 2.88 0.13 -1.78 -3.44 132.00 136.70 1jfw h PRO 14 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1jfw h PRO 14 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1jfw h PRO 14 CO 0.19 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1jfw n GLY 15 N 0.72 1.73 2.74 1.56 0.00 -1.26 -4.26 105.19 106.42 1jfw n GLY 15 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 1jfw n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfw n SER 16 N 5.11 -3.09 -0.02 1.61 7.64 -1.26 -4.86 113.62 118.75 1jfw n SER 16 Ca 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 58.87 57.25 1jfw n SER 16 Cb 0.00 1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1jfw n SER 16 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1jfw h GLN 17 N 4.78 0.00 -4.13 1.43 5.75 -1.94 -3.39 115.11 117.61 1jfw h GLN 17 Ca 0.03 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.86 1jfw h GLN 17 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1jfw h GLN 17 CO 0.01 0.00 2.80 -0.35 -2.65 0.00 0.00 178.83 178.64 1jfw n PRO 18 N -3.10 2.30 -2.56 -2.39 -0.04 -1.26 -4.96 135.00 122.99 1jfw n PRO 18 Ca -0.01 -2.22 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 1jfw n PRO 18 Cb 0.05 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.40 1jfw n PRO 18 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jfw s LYS 19 N 3.91 3.50 0.00 0.54 2.20 -1.26 -1.53 119.74 127.10 1jfw s LYS 19 Ca 0.52 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1jfw s LYS 19 Cb 0.14 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1jfw s LYS 19 CO -0.00 -1.70 0.00 2.41 -0.36 0.00 0.00 175.35 175.70 1jfw n THR 20 N 6.71 0.00 -2.32 3.43 -1.04 -1.26 -4.98 114.28 114.82 1jfw n THR 20 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 1jfw n THR 20 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1jfw n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfw n ALA 21 N -1.90 5.39 -0.90 2.41 0.00 -1.26 -4.81 120.51 119.44 1jfw n ALA 21 Ca 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1jfw n ALA 21 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1jfw n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfw s THR 23 N 0.00 -0.03 0.11 0.00 -1.32 -1.26 -4.46 115.64 108.67 1jfw s THR 23 Ca 0.00 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1jfw s THR 23 Cb 0.00 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 1jfw s THR 23 CO 0.00 0.05 0.00 0.41 -2.21 0.00 0.00 174.62 172.87 1jfw n THR 24 N 3.75 -6.87 -3.80 5.08 -1.04 -0.58 -4.30 114.28 106.52 1jfw n THR 24 Ca -0.21 1.57 -0.30 0.00 -2.04 0.00 0.00 64.05 63.07 1jfw n THR 24 Cb 0.54 -3.46 -0.14 0.00 -1.82 0.00 0.00 70.33 65.46 1jfw n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfw n TYR 26 N 3.94 -2.41 0.00 0.00 4.01 -0.31 -1.94 117.16 120.45 1jfw n TYR 26 Ca 0.05 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.74 1jfw n TYR 26 Cb 0.37 -4.89 0.00 0.00 -0.31 0.00 0.00 39.34 34.51 1jfw n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jfw h LYS 28 N 0.00 0.00 0.00 0.00 2.10 -1.89 -3.26 116.57 113.52 1jfw h LYS 28 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1jfw h LYS 28 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1jfw h LYS 28 CO 0.00 0.00 -0.69 1.63 -2.00 0.00 0.00 179.45 178.39 1jfw n LYS 29 N -2.72 0.48 -3.59 0.07 4.76 -1.13 -4.98 118.16 111.04 1jfw n LYS 29 Ca 0.04 0.52 -0.18 0.00 -2.87 0.00 0.00 58.31 55.82 1jfw n LYS 29 Cb 0.50 -1.69 -0.14 0.00 -1.84 0.00 0.00 35.03 31.86 1jfw n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jfw n PHE 32 N -4.00 0.00 -3.03 0.00 3.72 -1.23 -4.38 117.46 108.55 1jfw n PHE 32 Ca -0.25 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.99 1jfw n PHE 32 Cb 0.66 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.26 1jfw n PHE 32 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1jfw n HIS 33 N 0.00 -2.43 0.00 1.38 8.25 -1.26 -4.11 115.22 117.06 1jfw n HIS 33 Ca 0.00 -1.74 0.00 0.00 -0.26 0.00 0.00 57.72 55.72 1jfw n HIS 33 Cb 0.00 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1jfw n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jfw s GLN 35 N -0.35 0.86 -1.18 0.00 -0.21 -1.26 -1.17 119.66 116.35 1jfw s GLN 35 Ca 0.00 -1.87 -0.10 0.00 0.02 0.00 0.00 55.36 53.41 1jfw s GLN 35 Cb 0.00 -1.25 0.22 0.00 1.00 0.00 0.00 33.01 32.98 1jfw s GLN 35 CO 0.00 -1.35 1.47 1.55 -2.12 0.00 0.00 175.29 174.83 1jfw n VAL 36 N 3.06 4.53 -0.03 1.09 3.14 -1.26 -4.88 118.33 123.96 1jfw n VAL 36 Ca 0.26 -5.01 -0.02 0.00 -2.96 0.00 0.00 64.34 56.62 1jfw n VAL 36 Cb 0.47 -2.41 -0.01 0.00 -1.06 0.00 0.00 33.84 30.84 1jfw n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jfw n PHE 38 N -3.53 0.00 -0.28 0.00 3.72 -1.26 -4.47 117.46 111.64 1jfw n PHE 38 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1jfw n PHE 38 Cb 0.09 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1jfw n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jfw h THR 39 N 0.00 0.09 -0.47 4.37 1.03 -1.76 -1.40 112.91 114.77 1jfw h THR 39 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.50 1jfw h THR 39 Cb 0.00 0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.15 1jfw h THR 39 CO 0.00 0.00 0.32 0.74 -0.01 0.00 0.00 175.52 176.57 1jfw h THR 40 N -0.10 0.85 0.05 0.00 2.02 -1.80 -2.32 112.91 111.61 1jfw h THR 40 Ca 0.28 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 1jfw h THR 40 Cb 0.57 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1jfw h THR 40 CO -0.82 0.03 -0.39 0.11 0.37 0.00 0.00 175.52 174.83 1jfw h LYS 41 N 0.17 0.11 0.00 6.66 1.57 -1.90 -3.43 116.57 119.76 1jfw h LYS 41 Ca 0.22 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1jfw h LYS 41 Cb 0.64 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1jfw h LYS 41 CO -0.03 1.09 -1.37 0.00 -0.57 0.00 0.00 179.45 178.56 1jfw n ALA 42 N -2.69 1.92 -3.37 3.86 0.00 -0.54 -3.56 120.51 116.13 1jfw n ALA 42 Ca -0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1jfw n ALA 42 Cb 0.62 0.36 -0.14 0.00 0.00 0.00 0.00 19.45 20.29 1jfw n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jfw s LEU 43 N -5.47 1.20 0.00 0.00 1.43 -0.89 -2.42 118.68 112.53 1jfw s LEU 43 Ca -0.09 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1jfw s LEU 43 Cb 0.02 0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.54 1jfw s LEU 43 CO 0.15 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1jfw n GLY 44 N 3.64 0.94 5.62 -3.19 0.00 -1.25 -4.42 105.19 106.52 1jfw n GLY 44 Ca -0.20 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1jfw n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jfw n ILE 45 N 0.93 0.00 -3.09 -0.61 5.41 0.12 -1.47 119.36 120.66 1jfw n ILE 45 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 1jfw n ILE 45 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1jfw n ILE 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1jfw n SER 46 N 4.59 0.01 -3.90 4.38 3.41 -1.26 -2.19 113.62 118.66 1jfw n SER 46 Ca 0.00 -3.12 -0.20 0.00 -0.26 0.00 0.00 58.87 55.29 1jfw n SER 46 Cb 0.00 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 1jfw n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jfw s TYR 47 N -1.66 0.78 0.00 7.33 2.02 -0.54 -4.81 117.35 120.47 1jfw s TYR 47 Ca 0.36 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1jfw s TYR 47 Cb 0.31 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 1jfw s TYR 47 CO -0.08 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 1jfw n GLY 48 N 3.98 1.26 0.24 0.71 0.00 -1.23 -2.24 105.19 107.91 1jfw n GLY 48 Ca -0.25 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1jfw n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jfw h ARG 49 N 0.00 0.80 0.00 1.61 -0.00 -1.79 -3.48 114.38 111.52 1jfw h ARG 49 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.98 59.14 1jfw h ARG 49 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 29.94 1jfw h ARG 49 CO 0.00 0.96 0.00 0.36 0.00 0.00 0.00 179.97 181.29 1jfw n LYS 50 N -4.28 0.00 -3.29 0.04 2.85 -0.95 -4.81 118.16 107.72 1jfw n LYS 50 Ca -0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 1jfw n LYS 50 Cb 0.40 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.70 1jfw n LYS 50 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1jfw s LYS 51 N 0.00 3.40 -0.30 -1.58 -0.14 -1.26 -4.45 119.74 115.40 1jfw s LYS 51 Ca 0.00 -0.44 -0.06 0.00 -1.36 0.00 0.00 55.97 54.10 1jfw s LYS 51 Cb 0.00 -3.87 0.17 0.00 -1.68 0.00 0.00 37.83 32.44 1jfw s LYS 51 CO 0.00 -0.72 0.70 0.50 -0.76 0.00 0.00 175.35 175.06 1jfw s ARG 52 N 2.26 0.51 -1.41 1.68 6.06 -1.26 -5.06 118.95 121.73 1jfw s ARG 52 Ca 0.15 1.07 -0.11 0.00 -2.50 0.00 0.00 55.73 54.34 1jfw s ARG 52 Cb -0.16 0.62 0.07 0.00 0.06 0.00 0.00 34.95 35.54 1jfw s ARG 52 CO 0.14 -0.39 2.21 -2.13 -2.50 0.00 0.00 175.30 172.63 1jfw n ARG 53 N 5.40 3.32 -3.72 5.12 3.00 -1.26 -3.69 116.66 124.83 1jfw n ARG 53 Ca -0.06 -2.91 -0.12 0.00 -0.00 0.00 0.00 57.85 54.76 1jfw n ARG 53 Cb 0.51 -3.07 -0.12 0.00 0.00 0.00 0.00 32.46 29.77 1jfw n ARG 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1jfw s GLN 54 N 1.87 0.27 0.19 -0.14 2.00 -1.26 -5.06 119.66 117.53 1jfw s GLN 54 Ca 0.48 0.62 0.00 0.00 -2.00 0.00 0.00 55.36 54.46 1jfw s GLN 54 Cb 0.13 -0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.86 1jfw s GLN 54 CO -0.06 -0.16 0.00 0.54 -0.50 0.00 0.00 175.29 175.11 1jfw n ARG 55 N 4.26 0.00 0.00 1.67 1.74 -1.26 -4.54 116.66 118.53 1jfw n ARG 55 Ca -0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1jfw n ARG 55 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1jfw n ARG 55 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1jfw n ARG 56 N -3.08 0.00 -1.93 5.56 0.63 -1.26 -4.43 116.66 112.15 1jfw n ARG 56 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1jfw n ARG 56 Cb 0.00 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.01 1jfw n ARG 56 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1jfw n ARG 57 N -0.23 -0.74 -0.18 -0.14 0.63 -1.26 -5.06 116.66 109.68 1jfw n ARG 57 Ca 0.00 1.01 -0.10 0.00 -0.92 0.00 0.00 57.85 57.84 1jfw n ARG 57 Cb 0.00 -2.82 0.01 0.00 0.45 0.00 0.00 32.46 30.10 1jfw n ARG 57 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1jfw h PRO 58 N 0.61 0.93 -3.58 -0.14 0.13 -1.88 -3.42 132.00 124.65 1jfw h PRO 58 Ca 0.00 -0.31 -0.70 0.00 -0.87 0.00 0.00 66.00 64.12 1jfw h PRO 58 Cb 0.34 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 1jfw h PRO 58 CO 0.06 0.96 3.21 -0.35 -0.23 0.00 0.00 178.00 181.66 1jfw n PRO 59 N -4.27 3.28 -2.52 1.56 -0.04 -1.26 -3.98 135.00 127.76 1jfw n PRO 59 Ca 0.01 -2.62 -0.35 0.00 -0.04 0.00 0.00 63.50 60.51 1jfw n PRO 59 Cb 0.34 -3.07 0.01 0.00 -0.04 0.00 0.00 33.50 30.73 1jfw n PRO 59 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jfw n GLN 60 N 4.89 3.92 0.00 0.54 7.27 -1.26 -4.80 117.38 127.94 1jfw n GLN 60 Ca 0.59 -4.43 0.00 0.00 0.07 0.00 0.00 57.00 53.24 1jfw n GLN 60 Cb 0.33 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1jfw n GLN 60 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jfw n GLY 61 N -0.29 -1.79 1.13 1.69 0.00 -1.26 -5.14 105.19 99.52 1jfw n GLY 61 Ca 0.43 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1jfw n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfw n SER 62 N -0.95 0.00 -3.46 1.61 2.88 -1.26 -4.95 113.62 107.50 1jfw n SER 62 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1jfw n SER 62 Cb 0.00 0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 63.53 1jfw n SER 62 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1jfw s GLN 63 N -0.56 0.34 -0.01 -1.46 -0.21 -1.16 -4.78 119.66 111.82 1jfw s GLN 63 Ca 0.00 -0.52 -0.07 0.00 0.02 0.00 0.00 55.36 54.79 1jfw s GLN 63 Cb 0.00 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 1jfw s GLN 63 CO 0.00 -1.07 0.59 1.79 -2.12 0.00 0.00 175.29 174.48 1jfw h THR 64 N 6.02 0.00 0.00 -0.19 1.35 -1.89 -3.21 112.91 114.98 1jfw h THR 64 Ca -0.11 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1jfw h THR 64 Cb 1.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1jfw h THR 64 CO 0.35 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.03 1jfw n HIS 65 N -3.13 0.00 -2.40 4.73 8.25 -1.26 -2.86 115.22 118.54 1jfw n HIS 65 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1jfw n HIS 65 Cb 0.09 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.21 1jfw n HIS 65 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1jfw n GLN 66 N 13.40 4.69 0.02 -0.41 7.27 -1.19 -4.44 117.38 136.73 1jfw n GLN 66 Ca 0.00 -4.02 -0.00 0.00 0.07 0.00 0.00 57.00 53.05 1jfw n GLN 66 Cb 0.00 -2.61 -0.00 0.00 2.41 0.00 0.00 30.24 30.04 1jfw n GLN 66 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1jfw n VAL 67 N 1.36 0.59 -0.71 1.69 0.31 -1.14 -4.34 118.33 116.10 1jfw n VAL 67 Ca 0.48 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.01 1jfw n VAL 67 Cb 0.28 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1jfw n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jfw n SER 68 N -2.99 -4.64 -4.55 4.52 3.41 -1.26 -4.87 113.62 103.24 1jfw n SER 68 Ca -0.00 0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 58.71 1jfw n SER 68 Cb 0.01 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 62.64 1jfw n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jfw s LEU 69 N -1.23 3.36 0.00 1.04 0.20 -1.26 -4.31 118.68 116.48 1jfw s LEU 69 Ca 0.00 0.79 0.00 0.00 0.69 0.00 0.00 54.13 55.61 1jfw s LEU 69 Cb 0.00 -2.60 0.00 0.00 -0.43 0.00 0.00 46.19 43.16 1jfw s LEU 69 CO 0.00 -2.58 0.00 -1.54 -0.29 0.00 0.00 176.35 171.94 1jfw n SER 70 N 14.12 0.00 -3.45 3.68 3.41 -1.26 -5.04 113.62 125.08 1jfw n SER 70 Ca 0.29 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.64 1jfw n SER 70 Cb 0.53 0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 1jfw n SER 70 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jfw s LYS 71 N -0.34 0.48 0.10 4.33 2.20 -1.26 -5.10 119.74 120.14 1jfw s LYS 71 Ca 0.00 -1.02 -0.22 0.00 -0.36 0.00 0.00 55.97 54.37 1jfw s LYS 71 Cb 0.00 -1.12 -0.12 0.00 -1.51 0.00 0.00 37.83 35.08 1jfw s LYS 71 CO 0.00 -1.16 1.74 1.96 -0.36 0.00 0.00 175.35 177.53 1jfw h GLN 72 N 7.35 0.09 -2.05 4.03 1.08 -1.88 -3.21 115.11 120.52 1jfw h GLN 72 Ca -0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1jfw h GLN 72 Cb 1.00 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1jfw h GLN 72 CO 0.29 0.08 -0.04 -2.30 -0.95 0.00 0.00 178.83 175.90 1jfw n PRO 73 N -5.03 0.94 -2.41 1.46 -0.02 -1.26 -4.81 135.00 123.86 1jfw n PRO 73 Ca -0.06 -0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 60.82 1jfw n PRO 73 Cb 0.04 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1jfw n PRO 73 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jfw n THR 74 N 1.85 4.19 0.00 3.45 -1.04 -1.22 -4.91 114.28 116.61 1jfw n THR 74 Ca 0.08 -4.29 0.00 0.00 -2.04 0.00 0.00 64.05 57.80 1jfw n THR 74 Cb 0.46 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.55 1jfw n THR 74 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jfw n SER 75 N 4.80 0.00 -3.77 8.00 3.41 -1.26 -4.81 113.62 119.98 1jfw n SER 75 Ca 0.41 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.89 1jfw n SER 75 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 1jfw n SER 75 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jfw s GLN 76 N 0.00 0.57 -0.49 4.33 -0.21 -1.26 -5.12 119.66 117.48 1jfw s GLN 76 Ca 0.00 -0.04 -0.27 0.00 0.02 0.00 0.00 55.36 55.06 1jfw s GLN 76 Cb 0.00 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 1jfw s GLN 76 CO 0.00 -0.14 1.81 -1.25 -2.12 0.00 0.00 175.29 173.59 1jfw s PRO 77 N -0.93 2.95 -1.30 2.91 0.04 -1.26 -4.94 135.00 132.46 1jfw s PRO 77 Ca -0.10 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 61.79 1jfw s PRO 77 Cb -0.05 -4.29 0.16 0.00 0.04 0.00 0.00 34.50 30.35 1jfw s PRO 77 CO 0.03 -2.33 1.92 0.54 0.04 0.00 0.00 177.00 177.20 1jfw n ARG 78 N 8.82 3.58 0.00 4.56 1.74 -1.26 -4.27 116.66 129.83 1jfw n ARG 78 Ca 0.21 -3.44 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 1jfw n ARG 78 Cb 0.50 -2.95 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1jfw n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfw n GLY 79 N 2.87 1.96 2.76 -0.13 0.00 -1.26 -4.89 105.19 106.50 1jfw n GLY 79 Ca 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 1jfw n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfw n ASP 80 N 0.00 -8.00 -4.44 1.61 8.00 -0.91 -3.18 116.55 109.62 1jfw n ASP 80 Ca 0.00 1.23 -0.44 0.00 0.71 0.00 0.00 54.79 56.29 1jfw n ASP 80 Cb 0.00 -5.27 0.00 0.00 -0.02 0.00 0.00 41.12 35.83 1jfw n ASP 80 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jfw n PRO 81 N 0.51 3.40 0.00 -0.24 -0.04 -1.26 -4.28 135.00 133.09 1jfw n PRO 81 Ca 0.02 -3.97 0.00 0.00 -0.04 0.00 0.00 63.50 59.51 1jfw n PRO 81 Cb 0.11 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1jfw n PRO 81 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jfw n THR 82 N 4.22 0.00 0.00 0.52 -1.04 -1.26 -4.87 114.28 111.84 1jfw n THR 82 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1jfw n THR 82 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1jfw n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jfw n GLY 83 N 0.15 2.05 3.69 3.41 0.00 -1.26 -4.72 105.19 108.50 1jfw n GLY 83 Ca 0.00 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 1jfw n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jfw n PRO 84 N 7.00 2.24 -2.50 1.61 -0.02 -1.26 -3.67 135.00 138.40 1jfw n PRO 84 Ca 0.00 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1jfw n PRO 84 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 1jfw n PRO 84 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jfw s LYS 85 N 0.22 4.41 0.00 -0.52 2.20 -1.26 -5.10 119.74 119.69 1jfw s LYS 85 Ca 0.72 1.65 0.30 0.00 -0.36 0.00 0.00 55.97 58.28 1jfw s LYS 85 Cb -0.62 -3.47 1.51 0.00 -1.51 0.00 0.00 37.83 33.74 1jfw s LYS 85 CO 0.43 -0.31 2.01 -0.85 -0.36 0.00 0.00 175.35 176.27