#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 -1.51 2.12 2.13 -0.95 -4.95 120.64 117.48 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 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 -2.01 2.74 0.16 5.31 -0.04 -1.24 -4.81 135.00 135.12 1jfw n PRO 3 Ca 0.00 -2.35 -0.10 0.00 -0.04 0.00 0.00 63.50 61.01 1jfw n PRO 3 Cb 0.00 -3.10 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 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 3.87 0.27 -3.85 0.52 2.07 -1.84 0.35 116.25 117.64 1jfw h VAL 4 Ca 0.60 -0.71 -0.52 0.00 0.82 0.00 0.00 66.70 66.89 1jfw h VAL 4 Cb 0.56 0.44 0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1jfw h VAL 4 CO 1.86 0.06 0.65 -1.81 0.02 0.00 0.00 177.57 178.35 1jfw s ASP 5 N -5.04 6.76 -1.12 0.57 1.01 -1.26 -4.54 116.67 113.06 1jfw s ASP 5 Ca -0.10 2.69 -0.21 0.00 0.71 0.00 0.00 52.55 55.64 1jfw s ASP 5 Cb 0.01 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1jfw s ASP 5 CO 0.34 -0.55 1.53 -2.16 0.21 0.00 0.00 175.17 174.54 1jfw s PRO 6 N -1.69 3.74 -0.46 8.23 0.04 -1.26 -4.77 135.00 138.83 1jfw s PRO 6 Ca 0.50 -1.51 0.06 0.00 0.04 0.00 0.00 61.00 60.09 1jfw s PRO 6 Cb -0.40 -5.38 0.21 0.00 0.04 0.00 0.00 34.50 28.97 1jfw s PRO 6 CO 0.52 -2.18 0.64 -2.13 0.04 0.00 0.00 177.00 173.89 1jfw n ARG 7 N 8.46 0.56 -4.89 4.56 0.63 -1.26 -4.75 116.66 119.96 1jfw n ARG 7 Ca 0.38 -2.46 -0.26 0.00 -0.92 0.00 0.00 57.85 54.59 1jfw n ARG 7 Cb 0.49 -1.46 -0.15 0.00 0.45 0.00 0.00 32.46 31.78 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 -0.17 2.05 0.33 6.15 1.43 -1.26 -4.76 118.68 122.45 1jfw s LEU 8 Ca 0.32 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1jfw s LEU 8 Cb 0.11 -0.98 0.57 0.00 0.03 0.00 0.00 46.19 45.92 1jfw s LEU 8 CO -0.15 0.22 1.98 1.05 0.23 0.00 0.00 176.35 179.69 1jfw h GLU 9 N 5.58 0.93 -4.41 1.70 9.09 -2.03 -3.32 114.58 122.12 1jfw h GLU 9 Ca -0.38 -0.06 -0.66 0.00 0.05 0.00 0.00 59.36 58.31 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 0.48 0.61 2.59 -0.35 0.05 0.00 0.00 179.01 182.39 1jfw n PRO 10 N -4.44 2.19 -2.27 1.06 -0.04 -1.26 -4.94 135.00 125.30 1jfw n PRO 10 Ca 0.08 -2.29 -0.33 0.00 -0.04 0.00 0.00 63.50 60.92 1jfw n PRO 10 Cb 0.07 -3.16 -0.04 0.00 -0.04 0.00 0.00 33.50 30.33 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 4.51 2.11 -0.42 0.54 -0.00 -1.25 -4.80 118.94 119.63 1jfw s TRP 11 Ca 0.53 0.01 0.07 0.00 -0.00 0.00 0.00 56.10 56.72 1jfw s TRP 11 Cb 0.13 -4.33 0.24 0.00 -0.00 0.00 0.00 33.47 29.51 1jfw s TRP 11 CO 0.03 -1.85 0.52 1.17 -0.00 0.00 0.00 176.95 176.82 1jfw n LYS 12 N 8.89 0.85 -3.32 5.86 4.81 -1.26 -5.04 118.16 128.95 1jfw n LYS 12 Ca 0.36 -3.39 -0.17 0.00 -0.87 0.00 0.00 58.31 54.24 1jfw n LYS 12 Cb 0.49 -1.40 -0.07 0.00 0.02 0.00 0.00 35.03 34.07 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 -1.16 -0.26 -0.13 5.64 2.46 -1.26 -3.26 115.29 117.32 1jfw s HIS 13 Ca 0.35 -0.97 0.25 0.00 0.47 0.00 0.00 55.06 55.16 1jfw s HIS 13 Cb 0.15 -0.40 0.71 0.00 -0.13 0.00 0.00 32.58 32.91 1jfw s HIS 13 CO -0.11 -0.98 1.74 -1.00 -2.47 0.00 0.00 174.74 171.91 1jfw h PRO 14 N 6.73 0.00 0.00 2.88 0.13 -1.78 -3.44 132.00 136.51 1jfw h PRO 14 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1jfw h PRO 14 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1jfw h PRO 14 CO 0.20 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.49 1jfw n GLY 15 N 0.63 1.74 2.78 1.56 0.00 -1.26 -4.30 105.19 106.33 1jfw n GLY 15 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1jfw n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jfw s SER 16 N -4.00 -1.04 -0.05 1.61 0.01 -1.26 -4.88 113.70 104.09 1jfw s SER 16 Ca 0.00 -1.13 -0.02 0.00 1.31 0.00 0.00 55.95 56.11 1jfw s SER 16 Cb 0.00 1.36 -0.01 0.00 0.21 0.00 0.00 66.02 67.59 1jfw s SER 16 CO 0.00 -0.05 -0.04 -0.61 0.41 0.00 0.00 173.24 172.95 1jfw h GLN 17 N 4.99 0.00 -4.19 12.44 5.75 -1.93 -3.39 115.11 128.78 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 1.14 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.70 1jfw h GLN 17 CO -0.02 0.00 2.74 -0.35 -2.65 0.00 0.00 178.83 178.55 1jfw n PRO 18 N -3.11 2.21 -2.53 -2.39 -0.04 -1.26 -4.97 135.00 122.90 1jfw n PRO 18 Ca -0.02 -2.21 -0.43 0.00 -0.04 0.00 0.00 63.50 60.81 1jfw n PRO 18 Cb 0.06 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.42 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 4.04 3.57 0.00 0.54 2.20 -1.26 -1.50 119.74 127.32 1jfw s LYS 19 Ca 0.52 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1jfw s LYS 19 Cb 0.14 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1jfw s LYS 19 CO 0.01 -1.60 0.00 2.41 -0.36 0.00 0.00 175.35 175.81 1jfw n THR 20 N 6.81 0.00 -2.36 3.43 -1.04 -1.26 -4.98 114.28 114.88 1jfw n THR 20 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 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 -1.73 5.35 -0.90 2.41 0.00 -1.26 -4.80 120.51 119.57 1jfw n ALA 21 Ca 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 53.44 49.11 1jfw n ALA 21 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 -4.47 115.64 108.67 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 -0.10 0.00 0.00 -1.51 0.00 0.00 72.50 70.89 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 3.71 -6.78 -3.75 5.08 -1.04 -0.56 -4.33 114.28 106.60 1jfw n THR 24 Ca -0.21 1.58 -0.30 0.00 -2.04 0.00 0.00 64.05 63.08 1jfw n THR 24 Cb 0.54 -3.42 -0.14 0.00 -1.82 0.00 0.00 70.33 65.49 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 3.97 -2.41 0.00 0.00 4.01 -0.27 -1.78 117.16 120.70 1jfw n TYR 26 Ca 0.05 0.96 0.00 0.00 -0.16 0.00 0.00 57.90 58.75 1jfw n TYR 26 Cb 0.37 -5.02 0.00 0.00 -0.31 0.00 0.00 39.34 34.38 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 -3.21 116.57 113.57 1jfw h LYS 28 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 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 -0.78 1.63 -2.00 0.00 0.00 179.45 178.30 1jfw n LYS 29 N -2.30 0.49 -3.55 0.07 4.76 -1.16 -4.98 118.16 111.49 1jfw n LYS 29 Ca 0.04 0.51 -0.19 0.00 -2.87 0.00 0.00 58.31 55.81 1jfw n LYS 29 Cb 0.45 -1.69 -0.14 0.00 -1.84 0.00 0.00 35.03 31.82 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 -3.68 0.00 -2.84 0.00 3.72 -1.21 -4.43 117.46 109.02 1jfw n PHE 32 Ca -0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.03 1jfw n PHE 32 Cb 0.64 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.27 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 -2.63 0.00 1.38 8.25 -1.26 -4.04 115.22 116.92 1jfw n HIS 33 Ca 0.00 -1.76 0.00 0.00 -0.26 0.00 0.00 57.72 55.70 1jfw n HIS 33 Cb 0.00 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -0.41 0.81 -1.21 0.00 -0.21 -1.26 -1.11 119.66 116.27 1jfw s GLN 35 Ca 0.00 -1.75 -0.10 0.00 0.02 0.00 0.00 55.36 53.52 1jfw s GLN 35 Cb 0.00 -1.23 0.20 0.00 1.00 0.00 0.00 33.01 32.98 1jfw s GLN 35 CO 0.00 -1.33 1.58 1.55 -2.12 0.00 0.00 175.29 174.97 1jfw n VAL 36 N 3.24 4.45 -0.02 1.09 3.14 -1.26 -4.88 118.33 124.09 1jfw n VAL 36 Ca 0.23 -4.82 -0.01 0.00 -2.96 0.00 0.00 64.34 56.79 1jfw n VAL 36 Cb 0.46 -2.39 -0.00 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 -3.09 0.00 -0.27 0.00 3.72 -1.26 -4.46 117.46 112.09 1jfw n PHE 38 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1jfw n PHE 38 Cb 0.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.10 -0.49 4.37 1.03 -1.76 -1.46 112.91 114.69 1jfw h THR 39 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 66.51 1jfw h THR 39 Cb 0.00 0.10 -0.03 0.00 -1.07 0.00 0.00 68.15 67.15 1jfw h THR 39 CO 0.00 0.00 0.34 0.74 -0.01 0.00 0.00 175.52 176.59 1jfw h THR 40 N -0.11 0.85 0.04 0.00 2.02 -1.80 -2.30 112.91 111.61 1jfw h THR 40 Ca 0.26 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 1jfw h THR 40 Cb 0.56 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1jfw h THR 40 CO -0.79 0.04 -0.29 0.11 0.37 0.00 0.00 175.52 174.96 1jfw h LYS 41 N 0.20 0.12 0.00 6.66 1.57 -1.89 -3.42 116.57 119.82 1jfw h LYS 41 Ca 0.23 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1jfw h LYS 41 Cb 0.65 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1jfw h LYS 41 CO -0.04 1.04 -1.25 0.00 -0.57 0.00 0.00 179.45 178.64 1jfw n ALA 42 N -2.61 2.11 -3.41 3.86 0.00 -0.57 -3.69 120.51 116.21 1jfw n ALA 42 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1jfw n ALA 42 Cb 0.58 0.41 -0.14 0.00 0.00 0.00 0.00 19.45 20.30 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 -5.51 1.21 0.00 0.00 1.43 -0.88 -2.22 118.68 112.71 1jfw s LEU 43 Ca -0.06 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1jfw s LEU 43 Cb 0.02 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.47 1jfw s LEU 43 CO 0.09 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1jfw n GLY 44 N 3.70 1.59 5.65 -3.19 0.00 -1.25 -4.41 105.19 107.29 1jfw n GLY 44 Ca -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 1.48 0.00 -3.09 -0.61 5.41 0.11 -1.32 119.36 121.34 1jfw n ILE 45 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 1jfw n ILE 45 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 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 4.67 -0.08 -3.93 4.38 3.41 -1.26 -2.24 113.62 118.56 1jfw n SER 46 Ca 0.00 -3.05 -0.20 0.00 -0.26 0.00 0.00 58.87 55.35 1jfw n SER 46 Cb 0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.48 0.87 0.00 7.33 2.02 -0.43 -4.81 117.35 120.85 1jfw s TYR 47 Ca 0.35 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1jfw s TYR 47 Cb 0.29 -0.71 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 1jfw s TYR 47 CO -0.10 -0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.11 1jfw n GLY 48 N 3.86 1.17 0.25 0.71 0.00 -1.24 -2.26 105.19 107.67 1jfw n GLY 48 Ca -0.24 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.85 0.00 1.61 -0.00 -1.75 -3.48 114.38 111.60 1jfw h ARG 49 Ca 0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1jfw h ARG 49 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 29.93 1jfw h ARG 49 CO 0.00 0.97 0.00 0.36 0.00 0.00 0.00 179.97 181.30 1jfw n LYS 50 N -4.27 0.00 -3.31 0.04 2.85 -0.96 -4.80 118.16 107.71 1jfw n LYS 50 Ca -0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1jfw n LYS 50 Cb 0.38 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.68 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 3.41 -0.30 -1.58 -0.14 -1.26 -4.45 119.74 115.42 1jfw s LYS 51 Ca 0.00 -0.45 -0.05 0.00 -1.36 0.00 0.00 55.97 54.11 1jfw s LYS 51 Cb 0.00 -3.87 0.17 0.00 -1.68 0.00 0.00 37.83 32.45 1jfw s LYS 51 CO 0.00 -0.70 0.67 0.50 -0.76 0.00 0.00 175.35 175.06 1jfw s ARG 52 N 2.22 0.53 -1.44 1.68 6.06 -1.26 -5.06 118.95 121.67 1jfw s ARG 52 Ca 0.15 1.07 -0.11 0.00 -2.50 0.00 0.00 55.73 54.33 1jfw s ARG 52 Cb -0.16 0.62 0.05 0.00 0.06 0.00 0.00 34.95 35.51 1jfw s ARG 52 CO 0.13 -0.44 2.32 -2.13 -2.50 0.00 0.00 175.30 172.68 1jfw n ARG 53 N 5.42 3.37 -3.71 5.12 3.00 -1.26 -3.73 116.66 124.87 1jfw n ARG 53 Ca -0.05 -2.81 -0.11 0.00 -0.00 0.00 0.00 57.85 54.88 1jfw n ARG 53 Cb 0.51 -3.04 -0.12 0.00 0.00 0.00 0.00 32.46 29.81 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 1.93 0.29 0.19 -0.14 2.00 -1.26 -5.07 119.66 117.60 1jfw s GLN 54 Ca 0.51 0.66 0.00 0.00 -2.00 0.00 0.00 55.36 54.52 1jfw s GLN 54 Cb 0.14 -0.07 0.00 0.00 0.80 0.00 0.00 33.01 33.88 1jfw s GLN 54 CO -0.06 -0.16 0.00 0.54 -0.50 0.00 0.00 175.29 175.10 1jfw n ARG 55 N 4.27 0.00 0.00 1.67 1.74 -1.26 -4.55 116.66 118.53 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 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 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 -3.16 0.00 -1.60 5.56 0.63 -1.26 -4.42 116.66 112.40 1jfw n ARG 56 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1jfw n ARG 56 Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 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 0.00 -0.19 0.02 -0.14 0.63 -1.26 -5.06 116.66 110.67 1jfw n ARG 57 Ca 0.00 0.63 -0.02 0.00 -0.92 0.00 0.00 57.85 57.53 1jfw n ARG 57 Cb 0.00 -1.81 0.23 0.00 0.45 0.00 0.00 32.46 31.33 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 0.16 0.46 -2.86 -0.14 0.13 -1.88 -3.40 132.00 124.47 1jfw h PRO 58 Ca 0.00 -0.16 -0.46 0.00 -0.87 0.00 0.00 66.00 64.51 1jfw h PRO 58 Cb 0.07 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1jfw h PRO 58 CO 0.02 0.65 2.42 -0.35 -0.23 0.00 0.00 178.00 180.50 1jfw n PRO 59 N -4.15 2.77 -2.31 1.56 -0.04 -1.26 -4.27 135.00 127.30 1jfw n PRO 59 Ca -0.00 -1.65 -0.41 0.00 -0.04 0.00 0.00 63.50 61.40 1jfw n PRO 59 Cb 0.37 -2.47 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.44 4.81 0.00 0.54 7.27 -1.26 -4.70 117.38 127.48 1jfw n GLN 60 Ca 0.59 -3.96 0.00 0.00 0.07 0.00 0.00 57.00 53.71 1jfw n GLN 60 Cb 0.36 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.42 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 1.17 -1.40 2.02 1.69 0.00 -1.26 -5.14 105.19 102.28 1jfw n GLY 61 Ca 0.53 0.64 0.00 0.00 0.00 0.00 0.00 46.02 47.19 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 0.00 -0.45 -3.37 1.61 2.88 -1.26 -4.95 113.62 108.07 1jfw n SER 62 Ca 0.00 0.12 -0.17 0.00 -1.33 0.00 0.00 58.87 57.49 1jfw n SER 62 Cb 0.00 0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.14 0.55 0.00 -1.46 -0.21 -1.22 -4.78 119.66 111.40 1jfw s GLN 63 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.62 1jfw s GLN 63 Cb 0.00 -0.71 -0.05 0.00 1.00 0.00 0.00 33.01 33.26 1jfw s GLN 63 CO 0.00 -1.15 0.76 1.79 -2.12 0.00 0.00 175.29 174.57 1jfw h THR 64 N 5.38 0.00 0.00 -0.19 1.35 -1.91 -3.31 112.91 114.24 1jfw h THR 64 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1jfw h THR 64 Cb 1.06 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1jfw h THR 64 CO 0.24 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.92 1jfw n HIS 65 N -3.23 0.00 -2.75 4.73 8.25 -1.26 -2.52 115.22 118.43 1jfw n HIS 65 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1jfw n HIS 65 Cb 0.12 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 13.59 5.14 0.01 -0.41 7.27 -1.17 -4.41 117.38 137.40 1jfw n GLN 66 Ca 0.00 -4.64 -0.02 0.00 0.07 0.00 0.00 57.00 52.41 1jfw n GLN 66 Cb 0.00 -2.48 -0.01 0.00 2.41 0.00 0.00 30.24 30.17 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 0.33 0.93 -0.93 1.69 0.31 -1.05 -4.34 118.33 115.28 1jfw n VAL 67 Ca 0.41 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.02 1jfw n VAL 67 Cb 0.28 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.39 -4.35 -4.55 4.52 3.41 -1.26 -4.88 113.62 103.12 1jfw n SER 68 Ca -0.03 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.67 1jfw n SER 68 Cb 0.10 -2.05 -0.03 0.00 -0.26 0.00 0.00 64.21 61.97 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 -0.43 3.32 0.00 1.04 0.20 -1.26 -4.30 118.68 117.25 1jfw s LEU 69 Ca 0.00 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.39 1jfw s LEU 69 Cb 0.00 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 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 13.95 0.00 -3.56 3.68 3.41 -1.26 -5.07 113.62 124.77 1jfw n SER 70 Ca 0.27 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.58 1jfw n SER 70 Cb 0.53 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.51 0.69 0.09 4.33 2.20 -1.26 -5.10 119.74 120.18 1jfw s LYS 71 Ca 0.00 -1.34 -0.22 0.00 -0.36 0.00 0.00 55.97 54.05 1jfw s LYS 71 Cb 0.00 -1.60 -0.12 0.00 -1.51 0.00 0.00 37.83 34.60 1jfw s LYS 71 CO 0.00 -1.14 1.68 1.96 -0.36 0.00 0.00 175.35 177.49 1jfw h GLN 72 N 7.28 0.13 -2.08 4.03 1.08 -1.88 -3.23 115.11 120.45 1jfw h GLN 72 Ca -0.02 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1jfw h GLN 72 Cb 0.97 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 1jfw h GLN 72 CO 0.36 0.17 -0.12 -2.30 -0.95 0.00 0.00 178.83 175.99 1jfw n PRO 73 N -4.98 1.26 -2.43 1.46 -0.02 -1.26 -4.82 135.00 124.21 1jfw n PRO 73 Ca -0.05 -0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 60.58 1jfw n PRO 73 Cb 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.07 4.19 0.00 3.45 -1.04 -1.22 -4.91 114.28 116.82 1jfw n THR 74 Ca 0.18 -4.29 0.00 0.00 -2.04 0.00 0.00 64.05 57.89 1jfw n THR 74 Cb 0.60 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 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 4.88 0.00 -3.82 8.00 3.41 -1.26 -4.81 113.62 120.03 1jfw n SER 75 Ca 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1jfw n SER 75 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.64 -0.30 4.33 -0.21 -1.26 -5.13 119.66 117.72 1jfw s GLN 76 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 55.36 54.69 1jfw s GLN 76 Cb 0.00 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 34.26 1jfw s GLN 76 CO 0.00 -0.18 1.85 -1.25 -2.12 0.00 0.00 175.29 173.59 1jfw s PRO 77 N -1.82 3.34 -1.33 2.91 0.04 -1.26 -4.94 135.00 131.93 1jfw s PRO 77 Ca -0.11 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 1jfw s PRO 77 Cb -0.04 -4.21 0.12 0.00 0.04 0.00 0.00 34.50 30.41 1jfw s PRO 77 CO 0.00 -1.85 2.11 0.54 0.04 0.00 0.00 177.00 177.85 1jfw n ARG 78 N 8.43 3.78 0.00 4.56 1.74 -1.26 -4.44 116.66 129.46 1jfw n ARG 78 Ca 0.24 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1jfw n ARG 78 Cb 0.46 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 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 2.73 2.01 2.64 -0.13 0.00 -1.26 -4.87 105.19 106.31 1jfw n GLY 79 Ca 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 -5.79 -4.19 1.61 8.00 -0.91 -3.02 116.55 112.23 1jfw n ASP 80 Ca 0.00 1.37 -0.44 0.00 0.71 0.00 0.00 54.79 56.43 1jfw n ASP 80 Cb 0.00 -5.18 0.00 0.00 -0.02 0.00 0.00 41.12 35.93 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 0.94 3.69 0.00 -0.24 -0.04 -1.26 -4.31 135.00 133.78 1jfw n PRO 81 Ca -0.11 -4.03 0.00 0.00 -0.04 0.00 0.00 63.50 59.32 1jfw n PRO 81 Cb 0.17 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.23 0.00 0.00 0.52 -1.04 -1.26 -4.89 114.28 110.83 1jfw n THR 82 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1jfw n THR 82 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.01 1.79 3.75 3.41 0.00 -1.26 -4.72 105.19 108.17 1jfw n GLY 83 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1jfw n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jfw s PRO 84 N 0.00 4.13 0.01 1.61 0.02 -1.26 -3.72 135.00 135.79 1jfw s PRO 84 Ca 0.00 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 1jfw s PRO 84 Cb 0.00 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1jfw s PRO 84 CO 0.00 -0.63 1.22 0.21 -0.33 0.00 0.00 177.00 177.47 1jfw s LYS 85 N -0.34 4.39 0.00 5.54 2.20 -1.26 -5.12 119.74 125.15 1jfw s LYS 85 Ca 0.64 1.75 0.31 0.00 -0.36 0.00 0.00 55.97 58.31 1jfw s LYS 85 Cb -0.47 -3.45 1.85 0.00 -1.51 0.00 0.00 37.83 34.24 1jfw s LYS 85 CO 0.46 -0.36 2.17 -0.85 -0.36 0.00 0.00 175.35 176.42