#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 -2.15 2.12 2.13 -1.26 -4.67 120.64 116.81 1jfw n GLU 2 Ca 0.00 0.18 -0.43 0.00 0.66 0.00 0.00 57.16 57.58 1jfw n GLU 2 Cb 0.00 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.11 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 -1.67 3.09 -0.05 5.31 -0.04 -1.24 -4.80 135.00 135.60 1jfw n PRO 3 Ca 0.00 -3.01 -0.03 0.00 -0.04 0.00 0.00 63.50 60.42 1jfw n PRO 3 Cb 0.00 -3.29 -0.01 0.00 -0.04 0.00 0.00 33.50 30.16 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 4.48 0.00 -3.51 0.52 2.07 -1.83 -1.63 116.25 116.35 1jfw h VAL 4 Ca 0.49 -0.70 -0.53 0.00 0.82 0.00 0.00 66.70 66.79 1jfw h VAL 4 Cb 0.72 0.00 0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1jfw h VAL 4 CO 1.68 0.00 0.83 -1.81 0.02 0.00 0.00 177.57 178.29 1jfw s ASP 5 N -5.01 6.43 -1.21 0.57 1.01 -1.26 -4.70 116.67 112.49 1jfw s ASP 5 Ca -0.09 2.92 -0.20 0.00 0.71 0.00 0.00 52.55 55.89 1jfw s ASP 5 Cb 0.01 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.34 1jfw s ASP 5 CO 0.13 -0.85 1.72 -2.16 0.21 0.00 0.00 175.17 174.22 1jfw s PRO 6 N -0.93 3.64 -0.43 8.23 0.04 -1.26 -4.75 135.00 139.55 1jfw s PRO 6 Ca 0.59 -1.64 0.08 0.00 0.04 0.00 0.00 61.00 60.07 1jfw s PRO 6 Cb -0.46 -5.44 0.28 0.00 0.04 0.00 0.00 34.50 28.92 1jfw s PRO 6 CO 0.51 -2.54 0.79 -2.13 0.04 0.00 0.00 177.00 173.67 1jfw n ARG 7 N 8.50 0.85 -4.55 4.56 0.63 -1.26 -4.82 116.66 120.57 1jfw n ARG 7 Ca 0.45 -2.56 -0.33 0.00 -0.92 0.00 0.00 57.85 54.49 1jfw n ARG 7 Cb 0.47 -1.35 -0.11 0.00 0.45 0.00 0.00 32.46 31.92 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 3.20 0.32 6.15 1.43 -1.26 -4.80 118.68 122.19 1jfw s LEU 8 Ca 0.33 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1jfw s LEU 8 Cb 0.25 -1.75 0.59 0.00 0.03 0.00 0.00 46.19 45.31 1jfw s LEU 8 CO -0.13 0.33 1.94 1.05 0.23 0.00 0.00 176.35 179.77 1jfw h GLU 9 N 4.98 0.92 -5.10 1.70 9.09 -2.03 -3.27 114.58 120.87 1jfw h GLU 9 Ca -0.49 -0.06 -0.45 0.00 0.05 0.00 0.00 59.36 58.42 1jfw h GLU 9 Cb 1.17 -0.21 -0.00 0.00 -1.65 0.00 0.00 28.75 28.06 1jfw h GLU 9 CO 0.53 0.61 1.52 -0.35 0.05 0.00 0.00 179.01 181.37 1jfw n PRO 10 N -4.47 1.52 -2.59 1.06 -0.04 -1.26 -4.94 135.00 124.28 1jfw n PRO 10 Ca 0.12 -2.21 -0.41 0.00 -0.04 0.00 0.00 63.50 60.96 1jfw n PRO 10 Cb 0.18 -3.41 -0.03 0.00 -0.04 0.00 0.00 33.50 30.20 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 8.80 2.49 -0.36 0.54 -0.11 -1.24 -4.72 118.94 124.35 1jfw s TRP 11 Ca 0.64 -0.62 0.14 0.00 1.22 0.00 0.00 56.10 57.48 1jfw s TRP 11 Cb 0.05 -4.64 0.38 0.00 -1.50 0.00 0.00 33.47 27.76 1jfw s TRP 11 CO 0.14 -1.95 0.83 1.17 -4.62 0.00 0.00 176.95 172.52 1jfw n LYS 12 N 8.87 1.03 -3.82 5.86 4.81 -1.26 -5.09 118.16 128.56 1jfw n LYS 12 Ca 0.22 -3.24 -0.30 0.00 -0.87 0.00 0.00 58.31 54.12 1jfw n LYS 12 Cb 0.50 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.47 2.47 0.16 5.64 2.46 -1.26 -3.84 115.29 118.45 1jfw s HIS 13 Ca 0.35 -2.54 -0.07 0.00 0.47 0.00 0.00 55.06 53.27 1jfw s HIS 13 Cb 0.38 -2.22 0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1jfw s HIS 13 CO -0.04 -0.82 1.46 -1.00 -2.47 0.00 0.00 174.74 171.87 1jfw h PRO 14 N 7.09 0.70 0.00 2.88 0.13 -1.81 -3.43 132.00 137.56 1jfw h PRO 14 Ca -0.06 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1jfw h PRO 14 Cb 0.95 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jfw h PRO 14 CO 0.53 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.77 1jfw n GLY 15 N 0.30 1.34 2.75 1.56 0.00 -1.26 -4.41 105.19 105.47 1jfw n GLY 15 Ca -0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 2.77 -3.26 0.00 1.61 7.64 -1.26 -4.40 113.62 116.72 1jfw n SER 16 Ca 0.00 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1jfw n SER 16 Cb 0.00 1.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 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 2.64 0.00 -2.40 1.43 0.00 -1.26 -4.66 117.38 113.13 1jfw n GLN 17 Ca 0.16 0.04 -0.37 0.00 -0.00 0.00 0.00 57.00 56.82 1jfw n GLN 17 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 30.24 30.52 1jfw n GLN 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1jfw s PRO 18 N -0.34 3.42 -0.28 3.69 0.04 -1.26 -4.99 135.00 135.29 1jfw s PRO 18 Ca 0.00 -1.58 -0.29 0.00 0.04 0.00 0.00 61.00 59.17 1jfw s PRO 18 Cb 0.00 -5.41 -0.01 0.00 0.04 0.00 0.00 34.50 29.12 1jfw s PRO 18 CO 0.00 -2.84 1.50 0.21 0.04 0.00 0.00 177.00 175.91 1jfw s LYS 19 N 5.12 3.78 0.00 4.56 2.20 -1.26 -1.46 119.74 132.67 1jfw s LYS 19 Ca 0.58 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1jfw s LYS 19 Cb 0.02 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1jfw s LYS 19 CO 0.08 -1.31 0.00 2.41 -0.36 0.00 0.00 175.35 176.17 1jfw n THR 20 N 6.49 0.00 -1.37 3.43 -1.04 -1.26 -4.91 114.28 115.62 1jfw n THR 20 Ca 0.17 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.90 1jfw n THR 20 Cb 0.46 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.67 6.85 -0.12 2.41 0.00 -1.26 -4.61 120.51 122.10 1jfw n ALA 21 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1jfw n ALA 21 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 16.75 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 0.06 0.00 -1.32 -1.26 -4.40 115.64 108.69 1jfw s THR 23 Ca 0.00 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1jfw s THR 23 Cb 0.00 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1jfw s THR 23 CO 0.00 0.04 0.00 0.41 -2.21 0.00 0.00 174.62 172.86 1jfw n THR 24 N 3.74 -8.14 -3.61 5.08 -1.04 -0.54 -4.45 114.28 105.32 1jfw n THR 24 Ca -0.20 1.76 -0.12 0.00 -2.04 0.00 0.00 64.05 63.45 1jfw n THR 24 Cb 0.55 -4.26 -0.05 0.00 -1.82 0.00 0.00 70.33 64.75 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 0.14 0.00 0.00 0.00 4.01 -0.05 -1.91 117.16 119.35 1jfw n TYR 26 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1jfw n TYR 26 Cb 0.62 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.15 0.00 0.00 2.85 -1.26 -3.21 118.16 116.69 1jfw n LYS 28 Ca 0.00 0.29 -0.01 0.00 -1.05 0.00 0.00 58.31 57.54 1jfw n LYS 28 Cb 0.00 -1.74 -0.00 0.00 -0.65 0.00 0.00 35.03 32.63 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 -2.02 0.05 -3.53 -1.58 4.76 -1.26 -4.99 118.16 109.58 1jfw n LYS 29 Ca 0.04 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 1jfw n LYS 29 Cb 0.28 -0.34 -0.06 0.00 -1.84 0.00 0.00 35.03 33.07 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 -3.18 0.00 -4.26 0.00 3.72 -1.20 -4.51 117.46 108.03 1jfw n PHE 32 Ca -0.07 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.07 1jfw n PHE 32 Cb 0.61 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.07 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 2.72 0.03 1.38 3.76 -1.26 -4.56 115.29 117.36 1jfw s HIS 33 Ca 0.00 -0.19 -0.27 0.00 -0.15 0.00 0.00 55.06 54.45 1jfw s HIS 33 Cb 0.00 -1.30 -0.17 0.00 1.11 0.00 0.00 32.58 32.22 1jfw s HIS 33 CO 0.00 0.53 1.39 0.00 -0.85 0.00 0.00 174.74 175.82 1jfw s GLN 35 N -5.19 0.47 -0.96 0.00 -0.21 -1.26 -0.88 119.66 111.63 1jfw s GLN 35 Ca -0.15 -0.03 -0.03 0.00 0.02 0.00 0.00 55.36 55.16 1jfw s GLN 35 Cb 0.03 -0.35 0.25 0.00 1.00 0.00 0.00 33.01 33.94 1jfw s GLN 35 CO 0.58 -1.07 0.94 1.55 -2.12 0.00 0.00 175.29 175.17 1jfw n VAL 36 N 5.15 3.63 -0.02 1.09 3.14 -1.26 -4.96 118.33 125.11 1jfw n VAL 36 Ca 0.03 -5.28 -0.01 0.00 -2.96 0.00 0.00 64.34 56.12 1jfw n VAL 36 Cb 0.49 -2.39 -0.00 0.00 -1.06 0.00 0.00 33.84 30.88 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 -2.89 0.00 -0.07 0.00 3.72 -1.26 -4.46 117.46 112.50 1jfw n PHE 38 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 1jfw n PHE 38 Cb 0.07 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.15 -0.74 4.37 1.03 -1.77 -2.70 112.91 113.25 1jfw h THR 39 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 66.41 66.56 1jfw h THR 39 Cb 0.00 0.15 -0.05 0.00 -1.07 0.00 0.00 68.15 67.19 1jfw h THR 39 CO 0.00 0.00 0.50 0.74 -0.01 0.00 0.00 175.52 176.75 1jfw h THR 40 N -0.38 0.77 0.00 0.00 2.02 -1.81 -2.39 112.91 111.13 1jfw h THR 40 Ca 0.12 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1jfw h THR 40 Cb 0.59 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1jfw h THR 40 CO -0.49 0.07 -0.20 0.50 0.37 0.00 0.00 175.52 175.76 1jfw h LYS 41 N 0.36 0.00 0.00 6.66 3.64 -1.93 -3.45 116.57 121.85 1jfw h LYS 41 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1jfw h LYS 41 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1jfw h LYS 41 CO -0.11 0.88 -0.93 0.00 -2.27 0.00 0.00 179.45 177.03 1jfw n ALA 42 N -2.77 1.90 -3.68 5.00 0.00 -1.02 -3.14 120.51 116.80 1jfw n ALA 42 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1jfw n ALA 42 Cb 0.46 0.15 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.41 0.97 0.00 0.00 1.43 -0.91 -3.62 118.68 113.13 1jfw s LEU 43 Ca 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1jfw s LEU 43 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1jfw s LEU 43 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1jfw n GLY 44 N 5.12 0.22 0.00 -3.19 0.00 -1.22 -4.40 105.19 101.72 1jfw n GLY 44 Ca -0.07 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.00 -2.90 -0.61 5.41 -0.61 -1.57 119.36 119.08 1jfw n ILE 45 Ca 0.00 0.08 -0.25 0.00 1.00 0.00 0.00 62.75 63.58 1jfw n ILE 45 Cb 0.00 -0.11 -0.03 0.00 -0.71 0.00 0.00 39.64 38.79 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 -0.76 3.75 -3.70 4.38 3.41 -1.26 -4.42 113.62 115.03 1jfw n SER 46 Ca 0.00 -3.53 -0.27 0.00 -0.26 0.00 0.00 58.87 54.81 1jfw n SER 46 Cb 0.00 -0.55 -0.17 0.00 -0.26 0.00 0.00 64.21 63.23 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 -3.29 0.72 0.00 7.33 2.02 -0.61 -4.85 117.35 118.68 1jfw s TYR 47 Ca 0.46 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1jfw s TYR 47 Cb 0.32 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 1jfw s TYR 47 CO -0.13 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 173.71 1jfw n GLY 48 N 5.13 1.54 0.09 0.71 0.00 -1.19 -3.09 105.19 108.39 1jfw n GLY 48 Ca -0.08 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 0.00 1.61 -0.00 -1.88 -3.48 114.38 110.56 1jfw h ARG 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1jfw h ARG 49 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1jfw h ARG 49 CO 0.00 0.51 0.00 0.36 0.00 0.00 0.00 179.97 180.84 1jfw n LYS 50 N -4.82 0.00 -3.29 0.04 2.85 -1.24 -4.71 118.16 107.00 1jfw n LYS 50 Ca -0.08 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.73 1jfw n LYS 50 Cb 0.31 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.62 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 3.03 -0.24 -1.58 -0.14 -1.26 -4.45 119.74 115.10 1jfw s LYS 51 Ca 0.00 -1.21 -0.04 0.00 -1.36 0.00 0.00 55.97 53.36 1jfw s LYS 51 Cb 0.00 -4.14 0.13 0.00 -1.68 0.00 0.00 37.83 32.14 1jfw s LYS 51 CO 0.00 -1.14 0.44 0.50 -0.76 0.00 0.00 175.35 174.38 1jfw s ARG 52 N 2.05 0.38 -1.45 1.68 6.06 -1.26 -5.07 118.95 121.34 1jfw s ARG 52 Ca 0.08 0.81 -0.11 0.00 -2.50 0.00 0.00 55.73 54.01 1jfw s ARG 52 Cb -0.23 -0.00 0.04 0.00 0.06 0.00 0.00 34.95 34.82 1jfw s ARG 52 CO 0.08 -0.49 2.37 -2.13 -2.50 0.00 0.00 175.30 172.63 1jfw n ARG 53 N 5.39 3.45 -3.72 5.12 3.00 -1.26 -3.67 116.66 124.98 1jfw n ARG 53 Ca -0.05 -2.79 -0.12 0.00 -0.00 0.00 0.00 57.85 54.89 1jfw n ARG 53 Cb 0.50 -3.00 -0.12 0.00 0.00 0.00 0.00 32.46 29.83 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 1.80 0.28 0.23 -0.14 2.00 -1.26 -5.06 119.66 117.51 1jfw s GLN 54 Ca 0.52 0.63 0.00 0.00 -2.00 0.00 0.00 55.36 54.51 1jfw s GLN 54 Cb 0.15 -0.08 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 0.00 175.29 175.11 1jfw n ARG 55 N 4.22 0.00 0.00 1.67 1.74 -1.26 -4.46 116.66 118.57 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 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 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 -3.30 0.00 -2.10 5.56 0.63 -1.26 -4.34 116.66 111.84 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 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.19 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 -1.07 -1.36 -0.14 -0.14 0.63 -1.26 -5.04 116.66 108.27 1jfw n ARG 57 Ca 0.00 1.41 -0.09 0.00 -0.92 0.00 0.00 57.85 58.25 1jfw n ARG 57 Cb 0.00 -3.26 0.05 0.00 0.45 0.00 0.00 32.46 29.70 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 1.16 0.93 -2.56 -0.14 0.13 -1.87 -3.41 132.00 126.23 1jfw h PRO 58 Ca 0.00 -0.35 -0.34 0.00 -0.87 0.00 0.00 66.00 64.44 1jfw h PRO 58 Cb 0.24 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 1jfw h PRO 58 CO 0.07 1.01 1.29 -0.35 -0.23 0.00 0.00 178.00 179.79 1jfw n PRO 59 N -4.13 2.33 -2.53 1.56 -0.04 -1.26 -4.44 135.00 126.50 1jfw n PRO 59 Ca 0.01 -1.32 -0.41 0.00 -0.04 0.00 0.00 63.50 61.74 1jfw n PRO 59 Cb 0.42 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.07 5.15 0.00 0.54 7.27 -1.26 -4.79 117.38 127.36 1jfw n GLN 60 Ca 0.50 -4.47 0.00 0.00 0.07 0.00 0.00 57.00 53.10 1jfw n GLN 60 Cb 0.54 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.73 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 0.03 -0.95 2.20 1.69 0.00 -1.26 -5.12 105.19 101.78 1jfw n GLY 61 Ca 0.49 0.50 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 -3.53 -3.38 1.61 2.88 -1.26 -4.92 113.62 105.02 1jfw n SER 62 Ca 0.00 0.75 -0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1jfw n SER 62 Cb 0.00 3.36 -0.09 0.00 -0.75 0.00 0.00 64.21 66.73 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 -2.00 0.32 0.08 -1.46 -0.21 -1.24 -4.84 119.66 110.31 1jfw s GLN 63 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 1jfw s GLN 63 Cb 0.00 -0.64 -0.18 0.00 1.00 0.00 0.00 33.01 33.20 1jfw s GLN 63 CO 0.00 -0.73 1.66 1.79 -2.12 0.00 0.00 175.29 175.89 1jfw h THR 64 N 6.22 0.54 -0.15 -0.19 1.35 -1.93 -3.20 112.91 115.55 1jfw h THR 64 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1jfw h THR 64 Cb 1.14 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jfw h THR 64 CO 0.28 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.96 1jfw n HIS 65 N -5.36 -0.15 -2.21 4.73 8.25 -1.26 -2.05 115.22 117.17 1jfw n HIS 65 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 1jfw n HIS 65 Cb 0.26 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 0.00 3.64 0.01 -0.41 0.00 -1.07 -4.33 117.38 115.23 1jfw n GLN 66 Ca 0.00 -3.39 0.00 0.00 -0.00 0.00 0.00 57.00 53.61 1jfw n GLN 66 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 30.24 27.31 1jfw n GLN 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1jfw n VAL 67 N 3.35 0.11 -1.07 1.69 0.31 -0.87 -4.28 118.33 117.57 1jfw n VAL 67 Ca 0.44 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1jfw n VAL 67 Cb 0.35 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 -2.65 -6.02 -4.56 4.52 2.88 -1.23 -4.78 113.62 101.78 1jfw n SER 68 Ca 0.00 0.95 -0.22 0.00 -1.33 0.00 0.00 58.87 58.27 1jfw n SER 68 Cb 0.00 -2.97 -0.06 0.00 -0.75 0.00 0.00 64.21 60.43 1jfw n SER 68 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1jfw s LEU 69 N -3.41 3.06 0.00 2.46 1.43 -1.26 -4.34 118.68 116.61 1jfw s LEU 69 Ca 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1jfw s LEU 69 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1jfw s LEU 69 CO 0.00 -3.30 0.00 -1.54 0.23 0.00 0.00 176.35 171.74 1jfw n SER 70 N 16.50 0.00 -3.45 2.29 3.41 -1.26 -5.08 113.62 126.03 1jfw n SER 70 Ca 0.41 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.77 1jfw n SER 70 Cb 0.47 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.46 0.39 4.33 2.20 -1.26 -5.11 119.74 120.76 1jfw s LYS 71 Ca 0.00 -0.94 0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1jfw s LYS 71 Cb 0.00 -1.08 0.98 0.00 -1.51 0.00 0.00 37.83 36.22 1jfw s LYS 71 CO 0.00 -1.15 1.85 1.96 -0.36 0.00 0.00 175.35 177.65 1jfw h GLN 72 N 7.45 0.50 -4.96 4.03 1.08 -1.88 -2.98 115.11 118.34 1jfw h GLN 72 Ca -0.02 -0.03 -0.46 0.00 -1.45 0.00 0.00 58.65 56.69 1jfw h GLN 72 Cb 1.01 -0.11 0.03 0.00 -0.05 0.00 0.00 27.48 28.36 1jfw h GLN 72 CO 0.29 0.33 1.46 -2.30 -0.95 0.00 0.00 178.83 177.66 1jfw n PRO 73 N -4.55 1.10 -1.58 1.46 -0.02 -1.26 -4.69 135.00 125.46 1jfw n PRO 73 Ca 0.19 -1.89 -0.40 0.00 -2.02 0.00 0.00 63.50 59.38 1jfw n PRO 73 Cb 0.62 -3.24 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 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 7.15 4.11 0.00 3.45 -1.04 -1.13 -4.81 114.28 122.00 1jfw n THR 74 Ca 0.47 -2.99 0.00 0.00 -2.04 0.00 0.00 64.05 59.49 1jfw n THR 74 Cb 0.43 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 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 4.31 0.00 -3.87 8.00 3.41 -1.26 -4.56 113.62 119.65 1jfw n SER 75 Ca 0.66 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.15 1jfw n SER 75 Cb 0.29 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.21 -0.83 4.33 -0.21 -1.26 -5.11 119.66 116.78 1jfw s GLN 76 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 55.36 55.02 1jfw s GLN 76 Cb 0.00 0.09 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 1jfw s GLN 76 CO 0.00 -0.04 1.75 -1.25 -2.12 0.00 0.00 175.29 173.63 1jfw s PRO 77 N -0.49 2.85 -1.18 2.91 0.04 -1.26 -4.93 135.00 132.94 1jfw s PRO 77 Ca -0.06 -0.22 -0.12 0.00 0.04 0.00 0.00 61.00 60.64 1jfw s PRO 77 Cb -0.04 -4.85 0.21 0.00 0.04 0.00 0.00 34.50 29.87 1jfw s PRO 77 CO 0.00 -2.84 1.34 0.54 0.04 0.00 0.00 177.00 176.09 1jfw n ARG 78 N 9.01 3.46 0.00 4.56 1.74 -1.26 -4.33 116.66 129.84 1jfw n ARG 78 Ca 0.29 -4.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.31 1jfw n ARG 78 Cb 0.49 -2.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 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 3.51 2.61 2.73 -0.13 0.00 -1.26 -4.83 105.19 107.83 1jfw n GLY 79 Ca 0.32 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 -7.59 -4.16 1.61 8.00 -1.24 -2.58 116.55 110.60 1jfw n ASP 80 Ca 0.00 0.69 -0.43 0.00 0.71 0.00 0.00 54.79 55.76 1jfw n ASP 80 Cb 0.00 -5.10 0.00 0.00 -0.02 0.00 0.00 41.12 36.00 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 -0.10 3.32 0.00 -0.24 -0.04 -1.26 -4.36 135.00 132.31 1jfw n PRO 81 Ca 0.09 -3.39 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 1jfw n PRO 81 Cb 0.34 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 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 4.65 0.00 -0.75 0.52 -1.04 -1.26 -4.95 114.28 111.46 1jfw n THR 82 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1jfw n THR 82 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.09 0.96 3.73 3.41 0.00 -1.26 -4.91 105.19 107.20 1jfw n GLY 83 Ca 0.00 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 2.31 2.08 -2.54 1.61 -0.02 -1.26 -4.34 135.00 132.84 1jfw n PRO 84 Ca 0.00 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1jfw n PRO 84 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 30.95 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 -2.31 4.59 0.00 -0.52 2.20 -1.26 -5.16 119.74 117.28 1jfw s LYS 85 Ca 0.61 1.68 0.27 0.00 -0.36 0.00 0.00 55.97 58.17 1jfw s LYS 85 Cb -0.48 -3.30 1.61 0.00 -1.51 0.00 0.00 37.83 34.14 1jfw s LYS 85 CO 0.58 0.05 1.96 -0.85 -0.36 0.00 0.00 175.35 176.73