#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfw h GLU 2 N 0.00 -0.08 -2.54 2.12 4.81 -1.90 -3.38 114.58 113.60 1jfw h GLU 2 Ca 0.00 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.66 1jfw h GLU 2 Cb 0.00 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 1jfw h GLU 2 CO 0.00 -0.06 2.08 -0.35 -0.73 0.00 0.00 179.01 179.95 1jfw n PRO 3 N -3.54 3.48 -0.06 0.92 -0.04 -1.20 -4.57 135.00 129.99 1jfw n PRO 3 Ca -0.01 -2.42 -0.04 0.00 -0.04 0.00 0.00 63.50 60.99 1jfw n PRO 3 Cb 0.03 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 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 2.53 0.24 -3.58 0.52 2.07 -1.78 -2.45 116.25 113.80 1jfw h VAL 4 Ca 0.62 -1.21 -0.52 0.00 0.82 0.00 0.00 66.70 66.41 1jfw h VAL 4 Cb 0.58 0.48 0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1jfw h VAL 4 CO 1.26 0.08 0.62 -1.81 0.02 0.00 0.00 177.57 177.75 1jfw s ASP 5 N -5.75 6.91 -0.99 0.57 1.01 -1.26 -4.70 116.67 112.46 1jfw s ASP 5 Ca -0.08 2.46 -0.20 0.00 0.71 0.00 0.00 52.55 55.44 1jfw s ASP 5 Cb 0.01 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 1jfw s ASP 5 CO 0.17 -0.48 1.97 -0.81 0.21 0.00 0.00 175.17 176.24 1jfw n PRO 6 N 1.93 1.86 -2.98 8.23 -0.04 -1.26 -4.62 135.00 138.12 1jfw n PRO 6 Ca 0.03 -2.17 -0.16 0.00 -0.04 0.00 0.00 63.50 61.17 1jfw n PRO 6 Cb 0.43 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1jfw n PRO 6 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jfw n ARG 7 N 7.14 0.84 -3.34 0.54 0.63 -1.26 -4.38 116.66 116.83 1jfw n ARG 7 Ca 0.49 -2.61 -0.34 0.00 -0.92 0.00 0.00 57.85 54.48 1jfw n ARG 7 Cb 0.42 -1.36 -0.06 0.00 0.45 0.00 0.00 32.46 31.91 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 -1.53 4.23 0.00 6.15 1.43 -1.26 -4.77 118.68 122.93 1jfw s LEU 8 Ca 0.33 1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 1jfw s LEU 8 Cb 0.25 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.71 1jfw s LEU 8 CO -0.13 -0.02 1.23 1.05 0.23 0.00 0.00 176.35 178.72 1jfw h GLU 9 N 2.94 0.24 -5.83 1.70 9.09 -2.01 -3.38 114.58 117.34 1jfw h GLU 9 Ca -0.48 -0.16 -0.48 0.00 0.05 0.00 0.00 59.36 58.30 1jfw h GLU 9 Cb 1.18 0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 28.23 1jfw h GLU 9 CO 0.67 0.76 1.34 -1.25 0.05 0.00 0.00 179.01 180.58 1jfw s PRO 10 N -3.93 3.17 -0.45 1.06 0.04 -1.26 -4.96 135.00 128.67 1jfw s PRO 10 Ca -0.15 -1.07 -0.21 0.00 0.04 0.00 0.00 61.00 59.61 1jfw s PRO 10 Cb 0.03 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.31 1jfw s PRO 10 CO 0.74 -2.89 0.65 -0.46 0.04 0.00 0.00 177.00 175.09 1jfw s TRP 11 N 7.42 3.05 -0.42 0.56 -0.11 -1.26 -4.84 118.94 123.34 1jfw s TRP 11 Ca 0.59 -0.08 0.05 0.00 1.22 0.00 0.00 56.10 57.88 1jfw s TRP 11 Cb -0.01 -3.39 0.17 0.00 -1.50 0.00 0.00 33.47 28.74 1jfw s TRP 11 CO 0.01 -0.90 0.50 0.21 -4.62 0.00 0.00 176.95 172.15 1jfw s LYS 12 N 2.85 0.81 -0.60 5.86 2.20 -1.26 -5.12 119.74 124.49 1jfw s LYS 12 Ca 0.23 -0.96 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 1jfw s LYS 12 Cb -0.14 -0.51 0.17 0.00 -1.51 0.00 0.00 37.83 35.84 1jfw s LYS 12 CO 0.19 -1.25 0.46 1.58 -0.36 0.00 0.00 175.35 175.96 1jfw n HIS 13 N 3.80 1.80 -0.35 4.03 -0.00 -1.26 -4.22 115.22 119.02 1jfw n HIS 13 Ca 0.15 -3.96 0.00 0.00 0.46 0.00 0.00 57.72 54.38 1jfw n HIS 13 Cb 0.50 -0.32 0.16 0.00 -0.12 0.00 0.00 29.99 30.21 1jfw n HIS 13 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1jfw h PRO 14 N 5.38 1.20 0.00 1.57 0.13 -1.87 -3.40 132.00 135.00 1jfw h PRO 14 Ca 0.19 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1jfw h PRO 14 Cb 0.80 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1jfw h PRO 14 CO 0.60 0.79 0.00 0.41 -0.23 0.00 0.00 178.00 179.57 1jfw n GLY 15 N -1.38 1.47 2.72 1.56 0.00 -1.26 -4.20 105.19 104.10 1jfw n GLY 15 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 4.60 -2.32 -0.03 1.61 7.64 -1.26 -4.62 113.62 119.24 1jfw n SER 16 Ca 0.00 -2.96 -0.03 0.00 1.01 0.00 0.00 58.87 56.90 1jfw n SER 16 Cb 0.00 1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 64.76 1jfw n SER 16 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1jfw n GLN 17 N 1.26 0.19 -2.03 1.43 0.00 -1.26 -4.50 117.38 112.47 1jfw n GLN 17 Ca 0.06 0.22 -0.31 0.00 -0.00 0.00 0.00 57.00 56.96 1jfw n GLN 17 Cb 0.67 -0.99 -0.05 0.00 0.00 0.00 0.00 30.24 29.86 1jfw n GLN 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1jfw n PRO 18 N -3.23 1.76 -2.80 3.69 -0.04 -1.26 -4.97 135.00 128.16 1jfw n PRO 18 Ca -0.04 -2.49 -0.43 0.00 -0.04 0.00 0.00 63.50 60.50 1jfw n PRO 18 Cb 0.15 -3.63 -0.04 0.00 -0.04 0.00 0.00 33.50 29.95 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 6.08 3.68 0.00 0.54 2.20 -1.26 -0.75 119.74 130.22 1jfw s LYS 19 Ca 0.66 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1jfw s LYS 19 Cb 0.01 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1jfw s LYS 19 CO 0.13 -1.11 0.00 2.41 -0.36 0.00 0.00 175.35 176.42 1jfw n THR 20 N 6.24 0.00 -2.38 3.43 -1.04 -1.26 -4.97 114.28 114.31 1jfw n THR 20 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 1jfw n THR 20 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 -2.56 4.45 -0.51 2.41 0.00 -1.26 -4.77 120.51 118.28 1jfw n ALA 21 Ca 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1jfw n ALA 21 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.06 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 -0.45 0.01 0.00 -1.32 -1.26 -4.46 115.64 108.17 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 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1jfw s THR 23 CO 0.00 -0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.82 1jfw n THR 24 N 5.35 -5.81 -3.66 5.08 -1.04 0.07 -4.02 114.28 110.24 1jfw n THR 24 Ca -0.06 1.06 -0.14 0.00 -2.04 0.00 0.00 64.05 62.88 1jfw n THR 24 Cb 0.50 -3.94 -0.07 0.00 -1.82 0.00 0.00 70.33 64.99 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 0.77 0.00 0.00 0.00 4.01 -0.14 -2.03 117.16 119.77 1jfw n TYR 26 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1jfw n TYR 26 Cb 0.58 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1jfw n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jfw n LYS 28 N 0.00 2.34 0.07 0.00 2.85 -1.26 -2.52 118.16 119.63 1jfw n LYS 28 Ca 0.00 -2.42 0.00 0.00 -1.05 0.00 0.00 58.31 54.84 1jfw n LYS 28 Cb 0.00 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 1jfw n LYS 28 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jfw n LYS 29 N 0.39 0.00 -3.73 -1.58 4.76 -1.26 -5.07 118.16 111.67 1jfw n LYS 29 Ca 0.47 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.54 1jfw n LYS 29 Cb 0.52 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.61 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 -3.19 0.00 -4.16 0.00 3.72 -1.05 -4.52 117.46 108.26 1jfw n PHE 32 Ca -0.14 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.00 1jfw n PHE 32 Cb 0.62 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 1jfw n PHE 32 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1jfw s HIS 33 N 0.00 2.97 0.02 1.38 3.76 -1.26 -4.44 115.29 117.72 1jfw s HIS 33 Ca 0.00 -0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.55 1jfw s HIS 33 Cb 0.00 -1.41 -0.16 0.00 1.11 0.00 0.00 32.58 32.12 1jfw s HIS 33 CO 0.00 0.53 1.23 0.00 -0.85 0.00 0.00 174.74 175.65 1jfw s GLN 35 N -4.79 0.36 -0.41 0.00 -0.21 -1.26 -0.96 119.66 112.39 1jfw s GLN 35 Ca -0.14 0.75 0.11 0.00 0.02 0.00 0.00 55.36 56.10 1jfw s GLN 35 Cb 0.02 -0.11 0.38 0.00 1.00 0.00 0.00 33.01 34.31 1jfw s GLN 35 CO 0.51 -0.51 0.87 1.55 -2.12 0.00 0.00 175.29 175.60 1jfw n VAL 36 N 5.38 1.09 0.02 1.09 3.14 -1.24 -5.03 118.33 122.79 1jfw n VAL 36 Ca -0.05 -4.46 -0.12 0.00 -2.96 0.00 0.00 64.34 56.74 1jfw n VAL 36 Cb 0.50 -0.39 -0.09 0.00 -1.06 0.00 0.00 33.84 32.80 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 -4.88 0.00 -0.13 0.00 3.72 -1.26 -4.61 117.46 110.29 1jfw n PHE 38 Ca -0.08 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.28 1jfw n PHE 38 Cb 0.27 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.73 -0.54 4.37 1.03 -1.80 -3.38 112.91 113.31 1jfw h THR 39 Ca 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.34 1jfw h THR 39 Cb 0.00 0.55 -0.03 0.00 -1.07 0.00 0.00 68.15 67.61 1jfw h THR 39 CO 0.00 0.03 0.30 0.74 -0.01 0.00 0.00 175.52 176.58 1jfw h THR 40 N 0.16 1.18 -0.07 0.00 2.02 -1.82 -1.71 112.91 112.66 1jfw h THR 40 Ca 0.21 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1jfw h THR 40 Cb 0.28 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1jfw h THR 40 CO -0.31 0.19 0.00 1.17 0.37 0.00 0.00 175.52 176.94 1jfw n LYS 41 N -4.63 1.76 0.03 6.66 4.81 -1.26 -4.37 118.16 121.16 1jfw n LYS 41 Ca 0.03 -1.11 0.00 0.00 -0.87 0.00 0.00 58.31 56.36 1jfw n LYS 41 Cb 0.08 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1jfw n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jfw n ALA 42 N 0.34 3.00 -3.61 3.14 0.00 -0.95 -4.01 120.51 118.43 1jfw n ALA 42 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1jfw n ALA 42 Cb 0.37 0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 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 -5.75 -0.18 0.00 0.00 1.43 -0.69 -4.17 118.68 109.33 1jfw s LEU 43 Ca 0.00 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1jfw s LEU 43 Cb 0.00 0.48 0.00 0.00 0.03 0.00 0.00 46.19 46.70 1jfw s LEU 43 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1jfw n GLY 44 N 5.33 0.74 0.03 -3.19 0.00 -1.25 -4.56 105.19 102.29 1jfw n GLY 44 Ca -0.05 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 8.50 -0.05 -2.59 -0.61 5.41 -0.92 -2.38 119.36 126.71 1jfw n ILE 45 Ca 0.00 0.89 -0.18 0.00 1.00 0.00 0.00 62.75 64.46 1jfw n ILE 45 Cb 0.00 -1.17 0.01 0.00 -0.71 0.00 0.00 39.64 37.77 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 -2.83 3.08 -4.05 4.38 3.41 -1.26 -4.40 113.62 111.94 1jfw n SER 46 Ca 0.00 -3.23 -0.32 0.00 -0.26 0.00 0.00 58.87 55.06 1jfw n SER 46 Cb 0.02 -0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 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 -3.31 3.54 0.00 7.33 2.02 -1.00 -4.65 117.35 121.27 1jfw s TYR 47 Ca 0.38 -2.65 0.00 0.00 -0.37 0.00 0.00 57.07 54.43 1jfw s TYR 47 Cb 0.42 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1jfw s TYR 47 CO -0.08 -0.92 0.00 0.41 -1.57 0.00 0.00 175.55 173.40 1jfw n GLY 48 N 4.36 1.83 0.07 0.71 0.00 -1.26 -3.21 105.19 107.69 1jfw n GLY 48 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1jfw n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfw n ARG 49 N 0.00 0.96 0.00 1.61 3.00 -1.26 -5.01 116.66 115.97 1jfw n ARG 49 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.71 1jfw n ARG 49 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1jfw n ARG 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1jfw n LYS 50 N -0.90 0.00 -4.09 5.56 2.85 -1.26 -4.76 118.16 115.56 1jfw n LYS 50 Ca 0.21 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.32 1jfw n LYS 50 Cb 0.17 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.41 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 0.34 -0.04 -1.58 1.02 -1.26 -4.67 119.74 113.55 1jfw s LYS 51 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.86 1jfw s LYS 51 Cb 0.00 -0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1jfw s LYS 51 CO 0.00 0.08 -0.03 0.50 -0.92 0.00 0.00 175.35 174.98 1jfw s ARG 52 N -0.04 0.62 -1.21 1.68 6.06 -1.26 -5.00 118.95 119.79 1jfw s ARG 52 Ca 0.01 -0.04 -0.20 0.00 -2.50 0.00 0.00 55.73 53.00 1jfw s ARG 52 Cb -0.02 -0.68 0.03 0.00 0.06 0.00 0.00 34.95 34.34 1jfw s ARG 52 CO -0.00 -0.09 1.73 0.50 -2.50 0.00 0.00 175.30 174.94 1jfw s ARG 53 N 0.91 3.58 -0.29 5.12 6.06 -1.26 -3.23 118.95 129.84 1jfw s ARG 53 Ca -0.11 -1.61 -0.15 0.00 -2.50 0.00 0.00 55.73 51.36 1jfw s ARG 53 Cb -0.14 -5.43 0.11 0.00 0.06 0.00 0.00 34.95 29.55 1jfw s ARG 53 CO -0.00 -2.61 0.77 -1.14 -2.50 0.00 0.00 175.30 169.81 1jfw s GLN 54 N 4.90 0.59 0.00 5.12 2.00 -1.26 -5.10 119.66 125.91 1jfw s GLN 54 Ca 0.56 1.10 0.00 0.00 -2.00 0.00 0.00 55.36 55.02 1jfw s GLN 54 Cb 0.02 0.24 0.00 0.00 0.80 0.00 0.00 33.01 34.07 1jfw s GLN 54 CO 0.05 -0.14 0.00 0.54 -0.50 0.00 0.00 175.29 175.25 1jfw n ARG 55 N 4.36 0.00 -3.58 1.67 1.74 -1.26 -4.47 116.66 115.12 1jfw n ARG 55 Ca -0.18 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.68 1jfw n ARG 55 Cb 0.57 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.08 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 -1.19 -6.81 -3.03 5.56 0.63 -1.26 -4.53 116.66 106.02 1jfw n ARG 56 Ca 0.00 0.79 -0.15 0.00 -0.92 0.00 0.00 57.85 57.57 1jfw n ARG 56 Cb 0.00 -5.75 0.02 0.00 0.45 0.00 0.00 32.46 27.18 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 -4.54 -2.28 -0.15 -0.14 0.63 -1.26 -5.02 116.66 103.90 1jfw n ARG 57 Ca -0.15 1.94 -0.10 0.00 -0.92 0.00 0.00 57.85 58.62 1jfw n ARG 57 Cb 0.62 -4.37 -0.01 0.00 0.45 0.00 0.00 32.46 29.15 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 2.26 0.80 -5.83 -0.14 0.13 -1.86 -3.42 132.00 123.95 1jfw h PRO 58 Ca -0.16 -0.27 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 1jfw h PRO 58 Cb 0.98 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.96 1jfw h PRO 58 CO 0.18 0.88 2.00 -1.25 -0.23 0.00 0.00 178.00 179.58 1jfw s PRO 59 N -4.94 3.91 -0.42 1.56 0.04 -1.26 -4.75 135.00 129.13 1jfw s PRO 59 Ca -0.13 -1.86 0.02 0.00 0.04 0.00 0.00 61.00 59.07 1jfw s PRO 59 Cb 0.11 -5.47 0.14 0.00 0.04 0.00 0.00 34.50 29.32 1jfw s PRO 59 CO 0.81 -2.21 0.23 -1.14 0.04 0.00 0.00 177.00 174.73 1jfw s GLN 60 N 4.19 1.17 0.00 4.56 0.74 -1.26 -5.03 119.66 124.03 1jfw s GLN 60 Ca 0.51 -1.89 0.00 0.00 0.05 0.00 0.00 55.36 54.03 1jfw s GLN 60 Cb 0.03 -2.18 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1jfw s GLN 60 CO 0.04 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 1jfw n GLY 61 N 3.63 0.44 0.34 2.59 0.00 -1.26 -5.08 105.19 105.85 1jfw n GLY 61 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -4.05 1.61 2.88 -1.26 -4.94 113.62 107.86 1jfw n SER 62 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1jfw n SER 62 Cb 0.00 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.66 0.51 -0.22 -1.46 -0.21 -1.26 -4.97 119.66 111.39 1jfw s GLN 63 Ca 0.00 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.43 1jfw s GLN 63 Cb 0.00 -0.08 -0.19 0.00 1.00 0.00 0.00 33.01 33.75 1jfw s GLN 63 CO 0.00 -0.02 -0.00 0.25 -2.12 0.00 0.00 175.29 173.40 1jfw n THR 64 N 1.11 1.59 0.00 -0.19 -2.24 -1.26 -4.40 114.28 108.90 1jfw n THR 64 Ca -0.21 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1jfw n THR 64 Cb 0.56 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1jfw n THR 64 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jfw n HIS 65 N -3.82 0.00 -2.87 4.78 8.25 -1.26 -1.27 115.22 119.03 1jfw n HIS 65 Ca -0.41 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.64 1jfw n HIS 65 Cb 0.91 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.03 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 5.56 4.76 0.00 -0.41 7.27 -1.26 -3.98 117.38 129.31 1jfw n GLN 66 Ca 0.00 -4.62 0.00 0.00 0.07 0.00 0.00 57.00 52.45 1jfw n GLN 66 Cb 0.00 -2.47 0.00 0.00 2.41 0.00 0.00 30.24 30.18 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 0.65 0.00 -2.21 1.69 0.31 -0.40 -4.75 118.33 113.63 1jfw n VAL 67 Ca 0.35 0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.81 1jfw n VAL 67 Cb 0.31 -1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 1jfw n VAL 67 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1jfw n SER 68 N -2.23 -7.32 -4.52 4.52 2.88 -1.26 -4.84 113.62 100.86 1jfw n SER 68 Ca 0.00 1.55 -0.45 0.00 -1.33 0.00 0.00 58.87 58.64 1jfw n SER 68 Cb 0.00 -4.66 -0.06 0.00 -0.75 0.00 0.00 64.21 58.74 1jfw n SER 68 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1jfw n LEU 69 N 1.57 2.38 0.00 2.46 0.00 -1.26 -4.64 117.00 117.51 1jfw n LEU 69 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1jfw n LEU 69 Cb 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.11 1jfw n LEU 69 CO 0.05 -0.90 0.00 -1.54 0.00 0.00 0.00 177.39 175.01 1jfw n SER 70 N 11.75 0.00 -3.89 1.96 3.41 -1.26 -5.07 113.62 120.51 1jfw n SER 70 Ca 0.39 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.71 1jfw n SER 70 Cb 0.35 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.00 1.44 0.26 4.33 2.20 -1.26 -5.11 119.74 121.61 1jfw s LYS 71 Ca 0.00 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 1jfw s LYS 71 Cb 0.00 -2.21 0.40 0.00 -1.51 0.00 0.00 37.83 34.51 1jfw s LYS 71 CO 0.00 -0.50 1.87 1.96 -0.36 0.00 0.00 175.35 178.32 1jfw h GLN 72 N 8.08 1.08 -5.34 4.03 1.08 -1.96 -3.33 115.11 118.74 1jfw h GLN 72 Ca -0.22 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 56.77 1jfw h GLN 72 Cb 1.10 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1jfw h GLN 72 CO 0.40 0.71 0.45 -2.14 -0.95 0.00 0.00 178.83 177.30 1jfw s PRO 73 N -6.04 1.82 -1.45 1.46 0.02 -1.26 -4.73 135.00 124.83 1jfw s PRO 73 Ca -0.12 -0.48 -0.13 0.00 0.02 0.00 0.00 61.00 60.29 1jfw s PRO 73 Cb 0.20 -5.04 0.04 0.00 0.02 0.00 0.00 34.50 29.73 1jfw s PRO 73 CO 0.81 -4.59 2.26 2.41 -0.33 0.00 0.00 177.00 177.56 1jfw n THR 74 N 8.47 3.69 0.00 0.99 -1.04 -1.25 -4.83 114.28 120.31 1jfw n THR 74 Ca 0.43 -3.17 0.00 0.00 -2.04 0.00 0.00 64.05 59.27 1jfw n THR 74 Cb 0.46 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 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 5.46 0.00 -3.82 8.00 3.41 -1.26 -4.51 113.62 120.90 1jfw n SER 75 Ca 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1jfw n SER 75 Cb 0.37 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.25 -0.88 4.33 -0.21 -1.26 -5.12 119.66 116.77 1jfw s GLN 76 Ca 0.00 0.15 -0.25 0.00 0.02 0.00 0.00 55.36 55.28 1jfw s GLN 76 Cb 0.00 0.12 0.01 0.00 1.00 0.00 0.00 33.01 34.14 1jfw s GLN 76 CO 0.00 -0.04 1.60 -1.25 -2.12 0.00 0.00 175.29 173.48 1jfw s PRO 77 N -0.12 3.11 -1.15 2.91 0.04 -1.26 -4.94 135.00 133.59 1jfw s PRO 77 Ca -0.02 -0.50 -0.06 0.00 0.04 0.00 0.00 61.00 60.46 1jfw s PRO 77 Cb -0.02 -4.92 0.26 0.00 0.04 0.00 0.00 34.50 29.86 1jfw s PRO 77 CO 0.00 -2.57 1.66 0.54 0.04 0.00 0.00 177.00 176.68 1jfw n ARG 78 N 9.02 4.28 0.00 4.56 1.74 -1.26 -4.15 116.66 130.84 1jfw n ARG 78 Ca 0.27 -4.20 0.00 0.00 -0.77 0.00 0.00 57.85 53.15 1jfw n ARG 78 Cb 0.50 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 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 1.71 2.66 3.04 -0.13 0.00 -1.26 -5.00 105.19 106.20 1jfw n GLY 79 Ca 0.33 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -7.58 -4.26 1.61 9.92 -1.24 -4.33 116.55 110.66 1jfw n ASP 80 Ca 0.00 0.12 -0.44 0.00 -0.53 0.00 0.00 54.79 53.94 1jfw n ASP 80 Cb 0.00 -4.96 0.00 0.00 -0.64 0.00 0.00 41.12 35.53 1jfw n ASP 80 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1jfw n PRO 81 N -1.14 3.63 0.01 -0.24 -0.04 -1.26 -4.23 135.00 131.73 1jfw n PRO 81 Ca 0.03 -4.10 0.00 0.00 -0.04 0.00 0.00 63.50 59.38 1jfw n PRO 81 Cb 0.50 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.28 0.00 -0.65 0.52 -1.04 -1.26 -4.88 114.28 110.25 1jfw n THR 82 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1jfw n THR 82 Cb 0.39 -0.01 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 0.14 -2.25 3.95 3.41 0.00 -1.26 -4.84 105.19 104.34 1jfw n GLY 83 Ca 0.00 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 1jfw n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jfw s PRO 84 N -0.22 3.41 -0.29 1.61 0.04 -1.26 -4.64 135.00 133.65 1jfw s PRO 84 Ca 0.00 -0.67 -0.03 0.00 0.04 0.00 0.00 61.00 60.34 1jfw s PRO 84 Cb 0.00 -2.92 0.11 0.00 0.04 0.00 0.00 34.50 31.73 1jfw s PRO 84 CO 0.00 0.49 0.17 0.21 0.04 0.00 0.00 177.00 177.91 1jfw s LYS 85 N -3.48 0.23 0.00 4.56 2.36 -1.26 -4.90 119.74 117.24 1jfw s LYS 85 Ca 0.34 -0.42 0.21 0.00 -2.55 0.00 0.00 55.97 53.55 1jfw s LYS 85 Cb -0.10 -1.03 0.17 0.00 -1.05 0.00 0.00 37.83 35.82 1jfw s LYS 85 CO 0.28 -1.02 1.17 -0.85 1.55 0.00 0.00 175.35 176.48