#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 -2.28 2.12 2.13 -1.26 -4.58 120.64 116.77 1jfw n GLU 2 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1jfw n GLU 2 Cb 0.00 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 31.52 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 -0.21 3.17 -0.04 5.31 -0.04 -1.24 -4.73 135.00 137.22 1jfw n PRO 3 Ca 0.00 -3.16 -0.05 0.00 -0.04 0.00 0.00 63.50 60.25 1jfw n PRO 3 Cb 0.00 -3.26 -0.04 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 4.55 0.53 -3.33 0.52 2.07 -1.83 -2.01 116.25 116.75 1jfw h VAL 4 Ca 0.47 -1.35 -0.48 0.00 0.82 0.00 0.00 66.70 66.16 1jfw h VAL 4 Cb 0.75 0.98 -0.17 0.00 -1.52 0.00 0.00 31.29 31.32 1jfw h VAL 4 CO 1.61 0.17 -0.77 -1.81 0.02 0.00 0.00 177.57 176.80 1jfw s ASP 5 N -5.70 2.44 0.12 0.57 -0.00 -1.26 -4.22 116.67 108.62 1jfw s ASP 5 Ca -0.06 -0.87 -0.22 0.00 -0.00 0.00 0.00 52.55 51.40 1jfw s ASP 5 Cb -0.01 -0.12 -0.07 0.00 -0.00 0.00 0.00 42.92 42.72 1jfw s ASP 5 CO 0.22 -0.09 0.66 -2.16 -0.00 0.00 0.00 175.17 173.80 1jfw s PRO 6 N -2.89 4.35 -0.44 8.23 0.04 -1.26 -4.67 135.00 138.36 1jfw s PRO 6 Ca 0.15 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.15 1jfw s PRO 6 Cb -0.05 -3.22 0.20 0.00 0.04 0.00 0.00 34.50 31.48 1jfw s PRO 6 CO 0.05 0.59 0.51 -2.13 0.04 0.00 0.00 177.00 176.06 1jfw n ARG 7 N 1.58 0.42 -5.13 4.56 0.63 -1.25 -4.29 116.66 113.17 1jfw n ARG 7 Ca -0.08 -2.82 -0.32 0.00 -0.92 0.00 0.00 57.85 53.71 1jfw n ARG 7 Cb 0.50 -1.51 -0.15 0.00 0.45 0.00 0.00 32.46 31.75 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 -0.11 2.32 0.05 6.15 1.43 -1.26 -4.89 118.68 122.37 1jfw s LEU 8 Ca 0.33 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1jfw s LEU 8 Cb 0.08 -1.43 -0.31 0.00 0.03 0.00 0.00 46.19 44.55 1jfw s LEU 8 CO -0.15 0.31 1.07 1.05 0.23 0.00 0.00 176.35 178.85 1jfw h GLU 9 N 5.61 0.57 -5.75 1.70 9.09 -2.02 -3.41 114.58 120.37 1jfw h GLU 9 Ca -0.41 -0.85 -0.58 0.00 0.05 0.00 0.00 59.36 57.57 1jfw h GLU 9 Cb 1.15 0.30 -0.07 0.00 -1.65 0.00 0.00 28.75 28.48 1jfw h GLU 9 CO 0.49 1.39 1.86 -1.25 0.05 0.00 0.00 179.01 181.55 1jfw s PRO 10 N -2.81 3.54 -0.65 1.06 0.04 -1.26 -4.97 135.00 129.96 1jfw s PRO 10 Ca -0.09 -1.74 -0.18 0.00 0.04 0.00 0.00 61.00 59.03 1jfw s PRO 10 Cb 0.05 -5.45 0.12 0.00 0.04 0.00 0.00 34.50 29.26 1jfw s PRO 10 CO 0.94 -2.77 0.74 -0.46 0.04 0.00 0.00 177.00 175.48 1jfw s TRP 11 N 6.25 3.10 -0.49 0.56 -0.00 -1.26 -4.85 118.94 122.26 1jfw s TRP 11 Ca 0.58 -1.13 0.06 0.00 -0.00 0.00 0.00 56.10 55.61 1jfw s TRP 11 Cb 0.03 -4.01 0.19 0.00 -0.00 0.00 0.00 33.47 29.68 1jfw s TRP 11 CO 0.09 -1.27 0.63 1.17 -0.00 0.00 0.00 176.95 177.58 1jfw n LYS 12 N 6.04 0.47 -3.28 5.86 4.81 -1.26 -5.10 118.16 125.69 1jfw n LYS 12 Ca -0.04 -2.35 -0.18 0.00 -0.87 0.00 0.00 58.31 54.87 1jfw n LYS 12 Cb 0.43 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 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 0.59 -0.15 0.14 5.64 2.46 -1.26 -2.58 115.29 120.13 1jfw s HIS 13 Ca 0.31 -1.17 -0.16 0.00 0.47 0.00 0.00 55.06 54.51 1jfw s HIS 13 Cb 0.03 -0.43 -0.00 0.00 -0.13 0.00 0.00 32.58 32.06 1jfw s HIS 13 CO -0.10 -0.98 1.75 -1.00 -2.47 0.00 0.00 174.74 171.93 1jfw h PRO 14 N 6.39 0.55 0.00 2.88 0.13 -1.85 -3.39 132.00 136.72 1jfw h PRO 14 Ca 0.11 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1jfw h PRO 14 Cb 1.03 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1jfw h PRO 14 CO 0.21 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1jfw n GLY 15 N -0.98 2.21 2.05 1.56 0.00 -1.26 -4.15 105.19 104.61 1jfw n GLY 15 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 3.55 -0.91 -0.28 1.61 7.64 -1.26 -4.84 113.62 119.12 1jfw n SER 16 Ca 0.00 0.34 -0.09 0.00 1.01 0.00 0.00 58.87 60.13 1jfw n SER 16 Cb 0.00 1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.00 -0.06 -5.61 1.43 -0.00 -1.91 -3.00 115.11 105.97 1jfw h GLN 17 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.06 1jfw h GLN 17 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.43 1jfw h GLN 17 CO 0.00 -0.04 2.00 -0.35 0.00 0.00 0.00 178.83 180.44 1jfw n PRO 18 N -4.74 2.75 -2.50 -2.39 -0.04 -1.26 -4.98 135.00 121.83 1jfw n PRO 18 Ca 0.01 -3.00 -0.42 0.00 -0.04 0.00 0.00 63.50 60.04 1jfw n PRO 18 Cb 0.21 -3.53 -0.03 0.00 -0.04 0.00 0.00 33.50 30.12 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 4.73 4.35 0.00 0.54 2.20 -1.13 -0.86 119.74 129.57 1jfw s LYS 19 Ca 0.57 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1jfw s LYS 19 Cb 0.04 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1jfw s LYS 19 CO 0.08 -0.46 0.00 2.41 -0.36 0.00 0.00 175.35 177.03 1jfw n THR 20 N 4.70 0.00 -2.82 3.43 -1.04 -1.26 -4.80 114.28 112.48 1jfw n THR 20 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 1jfw n THR 20 Cb 0.46 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.97 1jfw n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfw s ALA 21 N -1.60 3.64 0.00 2.41 0.00 -1.26 -4.64 121.76 120.30 1jfw s ALA 21 Ca 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 51.96 48.88 1jfw s ALA 21 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1jfw s ALA 21 CO 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 175.76 172.76 1jfw s THR 23 N 0.00 -0.64 -0.13 0.00 -1.32 -1.26 -4.46 115.64 107.83 1jfw s THR 23 Ca 0.00 0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 60.48 1jfw s THR 23 Cb 0.00 -0.72 0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1jfw s THR 23 CO 0.00 0.00 0.16 0.41 -2.21 0.00 0.00 174.62 172.98 1jfw n THR 24 N 5.38 -9.66 -3.79 5.08 -1.04 -0.03 -3.93 114.28 106.29 1jfw n THR 24 Ca -0.07 1.85 -0.10 0.00 -2.04 0.00 0.00 64.05 63.70 1jfw n THR 24 Cb 0.50 -5.60 -0.06 0.00 -1.82 0.00 0.00 70.33 63.35 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 -0.18 0.00 0.00 0.00 4.01 -0.08 -2.95 117.16 117.96 1jfw n TYR 26 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1jfw n TYR 26 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.22 0.00 0.00 2.10 -1.90 -3.22 116.57 113.77 1jfw h LYS 28 Ca 0.00 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1jfw h LYS 28 Cb 0.00 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1jfw h LYS 28 CO 0.00 0.36 -0.27 0.87 -2.00 0.00 0.00 179.45 178.41 1jfw h LYS 29 N 0.21 0.00 -4.35 0.07 1.79 -1.76 -3.47 116.57 109.05 1jfw h LYS 29 Ca 0.04 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.88 1jfw h LYS 29 Cb 0.36 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.61 1jfw h LYS 29 CO 0.02 0.15 -0.74 0.00 -1.08 0.00 0.00 179.45 177.80 1jfw n PHE 32 N -2.76 0.00 -3.77 0.00 3.72 -1.22 -4.89 117.46 108.55 1jfw n PHE 32 Ca -0.22 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.83 1jfw n PHE 32 Cb 0.63 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.10 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 3.47 0.08 1.38 3.76 -1.26 -4.56 115.29 118.16 1jfw s HIS 33 Ca 0.00 0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 55.09 1jfw s HIS 33 Cb 0.00 -2.09 -0.14 0.00 1.11 0.00 0.00 32.58 31.46 1jfw s HIS 33 CO 0.00 0.43 1.64 0.00 -0.85 0.00 0.00 174.74 175.97 1jfw s GLN 35 N -5.75 0.19 -0.69 0.00 -0.21 -1.26 -0.91 119.66 111.03 1jfw s GLN 35 Ca -0.14 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.40 1jfw s GLN 35 Cb 0.06 -1.23 0.35 0.00 1.00 0.00 0.00 33.01 33.18 1jfw s GLN 35 CO 0.67 -0.70 1.26 1.55 -2.12 0.00 0.00 175.29 175.95 1jfw n VAL 36 N 5.31 3.78 -0.05 1.09 3.14 -1.11 -4.95 118.33 125.54 1jfw n VAL 36 Ca -0.05 -5.52 -0.03 0.00 -2.96 0.00 0.00 64.34 55.77 1jfw n VAL 36 Cb 0.49 -1.41 -0.01 0.00 -1.06 0.00 0.00 33.84 31.85 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 -4.09 0.00 -0.25 0.00 3.72 -1.26 -4.52 117.46 111.06 1jfw n PHE 38 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1jfw n PHE 38 Cb 0.18 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.99 -0.11 4.37 1.03 -1.79 -2.00 112.91 115.41 1jfw h THR 39 Ca 0.00 -0.26 0.01 0.00 -0.01 0.00 0.00 66.41 66.15 1jfw h THR 39 Cb 0.00 0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 67.25 1jfw h THR 39 CO 0.00 0.14 0.07 0.74 -0.01 0.00 0.00 175.52 176.46 1jfw h THR 40 N 0.74 1.01 0.20 0.00 2.02 -1.83 -3.12 112.91 111.94 1jfw h THR 40 Ca 0.31 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 1jfw h THR 40 Cb 0.17 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1jfw h THR 40 CO -0.18 0.02 -0.09 0.50 0.37 0.00 0.00 175.52 176.14 1jfw h LYS 41 N 0.13 -0.25 0.00 6.66 3.64 -1.88 -3.40 116.57 121.46 1jfw h LYS 41 Ca 0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jfw h LYS 41 Cb 0.02 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1jfw h LYS 41 CO -0.01 0.15 -0.04 0.00 -2.27 0.00 0.00 179.45 177.28 1jfw n ALA 42 N -2.52 1.40 -3.26 5.00 0.00 -0.77 -4.51 120.51 115.86 1jfw n ALA 42 Ca -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1jfw n ALA 42 Cb 0.26 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 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 -5.18 1.60 0.00 0.00 1.02 -1.06 -3.33 118.68 111.72 1jfw s LEU 43 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1jfw s LEU 43 Cb 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 46.19 45.98 1jfw s LEU 43 CO 0.02 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.97 1jfw n GLY 44 N 3.56 -0.49 0.04 -3.19 0.00 -1.19 -4.35 105.19 99.56 1jfw n GLY 44 Ca -0.20 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 8.80 -0.06 -3.22 -0.61 5.41 -0.76 -2.04 119.36 126.88 1jfw n ILE 45 Ca 0.00 0.61 -0.24 0.00 1.00 0.00 0.00 62.75 64.12 1jfw n ILE 45 Cb 0.00 -0.80 -0.07 0.00 -0.71 0.00 0.00 39.64 38.06 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 -2.89 0.79 -3.79 4.38 3.41 -1.26 -4.39 113.62 109.87 1jfw n SER 46 Ca 0.00 -2.83 -0.23 0.00 -0.26 0.00 0.00 58.87 55.56 1jfw n SER 46 Cb 0.02 -0.64 -0.17 0.00 -0.26 0.00 0.00 64.21 63.16 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 -1.44 0.70 0.00 7.33 2.02 -0.87 -4.94 117.35 120.16 1jfw s TYR 47 Ca 0.36 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1jfw s TYR 47 Cb 0.17 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 1jfw s TYR 47 CO -0.09 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 1jfw n GLY 48 N 5.02 1.93 2.46 0.71 0.00 -1.26 -3.19 105.19 110.86 1jfw n GLY 48 Ca -0.09 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 4.13 0.00 1.61 3.00 -1.21 -4.98 116.66 119.21 1jfw n ARG 49 Ca 0.00 -2.98 0.00 0.00 -0.01 0.00 0.00 57.85 54.86 1jfw n ARG 49 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 29.72 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 2.74 0.00 -3.70 5.56 2.85 -1.26 -3.60 118.16 120.76 1jfw n LYS 50 Ca 0.66 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.64 1jfw n LYS 50 Cb 0.26 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.48 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 0.59 0.12 -1.58 1.02 -1.26 -2.99 119.74 115.64 1jfw s LYS 51 Ca 0.00 -0.70 -0.32 0.00 0.02 0.00 0.00 55.97 54.98 1jfw s LYS 51 Cb 0.00 -1.90 -0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1jfw s LYS 51 CO 0.00 -0.84 1.82 -2.13 -0.92 0.00 0.00 175.35 173.27 1jfw n ARG 52 N 5.01 2.73 -1.98 1.68 3.00 -1.24 -4.95 116.66 120.91 1jfw n ARG 52 Ca -0.06 0.99 -0.42 0.00 -0.00 0.00 0.00 57.85 58.36 1jfw n ARG 52 Cb 0.44 -2.88 0.00 0.00 0.00 0.00 0.00 32.46 30.03 1jfw n ARG 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1jfw n ARG 53 N 5.42 3.16 -3.65 -0.14 3.00 -1.26 -3.71 116.66 119.48 1jfw n ARG 53 Ca 0.18 -2.98 -0.08 0.00 -0.00 0.00 0.00 57.85 54.97 1jfw n ARG 53 Cb 0.36 -3.15 -0.08 0.00 0.00 0.00 0.00 32.46 29.60 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 2.11 0.68 0.19 -0.14 2.00 -1.26 -5.07 119.66 118.17 1jfw s GLN 54 Ca 0.44 1.14 0.00 0.00 -2.00 0.00 0.00 55.36 54.94 1jfw s GLN 54 Cb 0.12 0.15 0.00 0.00 0.80 0.00 0.00 33.01 34.08 1jfw s GLN 54 CO -0.05 -0.14 0.00 0.54 -0.50 0.00 0.00 175.29 175.14 1jfw n ARG 55 N 4.09 0.00 -3.28 1.67 1.74 -1.26 -4.47 116.66 115.15 1jfw n ARG 55 Ca -0.20 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.73 1jfw n ARG 55 Cb 0.58 -0.06 0.07 0.00 -1.02 0.00 0.00 32.46 32.03 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 -3.20 -2.49 -3.40 5.56 0.63 -1.26 -3.92 116.66 108.58 1jfw n ARG 56 Ca 0.00 0.86 -0.17 0.00 -0.92 0.00 0.00 57.85 57.62 1jfw n ARG 56 Cb 0.00 -5.79 0.03 0.00 0.45 0.00 0.00 32.46 27.15 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 -3.32 -1.51 -0.07 -0.14 0.63 -1.26 -4.97 116.66 106.03 1jfw n ARG 57 Ca -0.08 0.93 -0.13 0.00 -0.92 0.00 0.00 57.85 57.65 1jfw n ARG 57 Cb 0.62 -4.74 -0.00 0.00 0.45 0.00 0.00 32.46 28.79 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 -0.70 0.81 -2.57 -0.14 0.13 -1.84 -3.37 132.00 124.31 1jfw h PRO 58 Ca -0.43 -0.48 -0.55 0.00 -0.87 0.00 0.00 66.00 63.67 1jfw h PRO 58 Cb 1.24 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1jfw h PRO 58 CO 0.40 1.11 2.17 -0.35 -0.23 0.00 0.00 178.00 181.10 1jfw n PRO 59 N -4.01 3.36 -2.89 1.56 -0.04 -1.26 -4.84 135.00 126.87 1jfw n PRO 59 Ca -0.03 -2.21 -0.44 0.00 -0.04 0.00 0.00 63.50 60.78 1jfw n PRO 59 Cb 0.59 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 1jfw n PRO 59 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1jfw s GLN 60 N 0.75 3.82 0.00 0.54 0.74 -1.26 -4.61 119.66 119.64 1jfw s GLN 60 Ca 0.65 -2.07 0.00 0.00 0.05 0.00 0.00 55.36 53.99 1jfw s GLN 60 Cb 0.24 -5.04 0.00 0.00 1.10 0.00 0.00 33.01 29.31 1jfw s GLN 60 CO -0.07 -1.83 0.00 0.41 -0.55 0.00 0.00 175.29 173.25 1jfw n GLY 61 N 5.02 -0.84 2.02 2.59 0.00 -1.26 -4.88 105.19 107.83 1jfw n GLY 61 Ca 0.31 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.31 -4.07 1.61 2.88 -1.26 -4.88 113.62 107.59 1jfw n SER 62 Ca 0.00 0.12 -0.28 0.00 -1.33 0.00 0.00 58.87 57.39 1jfw n SER 62 Cb 0.00 0.47 -0.17 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.18 2.14 0.03 -1.46 -0.21 -0.65 -4.79 119.66 113.54 1jfw s GLN 63 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1jfw s GLN 63 Cb 0.00 -1.76 -0.16 0.00 1.00 0.00 0.00 33.01 32.08 1jfw s GLN 63 CO 0.00 0.01 1.29 1.79 -2.12 0.00 0.00 175.29 176.26 1jfw h THR 64 N 5.92 0.00 -1.42 -0.19 1.35 -1.91 -1.72 112.91 114.94 1jfw h THR 64 Ca -0.29 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1jfw h THR 64 Cb 1.19 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1jfw h THR 64 CO 0.48 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.16 1jfw n HIS 65 N -5.27 -1.57 -2.46 4.73 8.25 -1.26 -3.69 115.22 113.95 1jfw n HIS 65 Ca -0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.90 1jfw n HIS 65 Cb 0.42 0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.23 3.15 0.01 -0.41 0.00 -1.14 -4.39 117.38 113.38 1jfw n GLN 66 Ca 0.00 -3.19 -0.00 0.00 -0.00 0.00 0.00 57.00 53.81 1jfw n GLN 66 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 30.24 26.78 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 6.15 0.26 -1.78 1.69 0.31 -1.24 -4.66 118.33 119.06 1jfw n VAL 67 Ca 0.49 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 1jfw n VAL 67 Cb 0.45 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 -2.71 -6.95 -4.55 4.52 2.88 -1.26 -4.77 113.62 100.77 1jfw n SER 68 Ca -0.00 1.14 -0.35 0.00 -1.33 0.00 0.00 58.87 58.33 1jfw n SER 68 Cb 0.00 -3.80 -0.04 0.00 -0.75 0.00 0.00 64.21 59.63 1jfw n SER 68 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jfw n LEU 69 N 1.25 2.20 0.00 2.46 4.77 -1.26 -4.42 117.00 122.00 1jfw n LEU 69 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1jfw n LEU 69 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1jfw n LEU 69 CO 0.00 -1.61 0.00 -1.54 -1.33 0.00 0.00 177.39 172.91 1jfw n SER 70 N 15.92 0.00 -3.82 -1.43 3.41 -1.26 -5.01 113.62 121.43 1jfw n SER 70 Ca 0.39 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.70 1jfw n SER 70 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.99 0.25 4.33 2.20 -1.26 -5.10 119.74 121.14 1jfw s LYS 71 Ca 0.00 -1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 54.46 1jfw s LYS 71 Cb 0.00 -2.31 0.42 0.00 -1.51 0.00 0.00 37.83 34.43 1jfw s LYS 71 CO 0.00 -0.87 1.79 1.96 -0.36 0.00 0.00 175.35 177.87 1jfw h GLN 72 N 8.01 0.70 -5.32 4.03 1.08 -1.89 -3.25 115.11 118.47 1jfw h GLN 72 Ca -0.13 -0.04 -0.37 0.00 -1.45 0.00 0.00 58.65 56.66 1jfw h GLN 72 Cb 1.04 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1jfw h GLN 72 CO 0.45 0.46 1.21 -2.30 -0.95 0.00 0.00 178.83 177.70 1jfw n PRO 73 N -4.79 1.53 -1.85 1.46 -0.02 -1.26 -4.55 135.00 125.52 1jfw n PRO 73 Ca 0.14 -2.35 -0.42 0.00 -2.02 0.00 0.00 63.50 58.85 1jfw n PRO 73 Cb 0.31 -3.62 -0.00 0.00 -0.02 0.00 0.00 33.50 30.17 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 7.60 3.84 0.00 3.45 -1.04 -1.23 -4.80 114.28 122.10 1jfw n THR 74 Ca 0.45 -3.38 0.00 0.00 -2.04 0.00 0.00 64.05 59.09 1jfw n THR 74 Cb 0.46 -2.52 0.00 0.00 -1.82 0.00 0.00 70.33 66.44 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 5.10 0.00 -3.88 8.00 3.41 -1.26 -4.70 113.62 120.29 1jfw n SER 75 Ca 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.02 1jfw n SER 75 Cb 0.36 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.26 -1.01 4.33 -0.21 -1.26 -5.12 119.66 116.65 1jfw s GLN 76 Ca 0.00 -0.19 -0.23 0.00 0.02 0.00 0.00 55.36 54.96 1jfw s GLN 76 Cb 0.00 0.11 0.04 0.00 1.00 0.00 0.00 33.01 34.16 1jfw s GLN 76 CO 0.00 -0.05 1.51 -1.25 -2.12 0.00 0.00 175.29 173.38 1jfw s PRO 77 N -0.69 3.47 -1.36 2.91 0.04 -1.26 -4.93 135.00 133.18 1jfw s PRO 77 Ca -0.08 -1.02 -0.16 0.00 0.04 0.00 0.00 61.00 59.78 1jfw s PRO 77 Cb -0.05 -5.32 0.07 0.00 0.04 0.00 0.00 34.50 29.24 1jfw s PRO 77 CO 0.00 -2.34 1.91 0.54 0.04 0.00 0.00 177.00 177.16 1jfw n ARG 78 N 8.89 3.09 0.00 4.56 3.00 -1.26 -4.57 116.66 130.37 1jfw n ARG 78 Ca 0.34 -3.06 0.00 0.00 -0.01 0.00 0.00 57.85 55.12 1jfw n ARG 78 Cb 0.51 -3.38 0.00 0.00 0.00 0.00 0.00 32.46 29.59 1jfw n ARG 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jfw n GLY 79 N 4.76 2.32 0.61 -0.13 0.00 -1.26 -4.74 105.19 106.74 1jfw n GLY 79 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.16 -3.45 1.61 10.43 -0.91 -2.86 116.55 117.21 1jfw n ASP 80 Ca 0.00 0.40 -0.40 0.00 2.57 0.00 0.00 54.79 57.36 1jfw n ASP 80 Cb 0.00 -1.00 -0.02 0.00 1.84 0.00 0.00 41.12 41.95 1jfw n ASP 80 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1jfw n PRO 81 N -0.08 3.93 0.00 -0.24 -0.04 -1.26 -4.37 135.00 132.94 1jfw n PRO 81 Ca 0.00 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1jfw n PRO 81 Cb 0.00 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 3.07 0.00 0.00 0.52 -1.04 -1.26 -5.15 114.28 110.42 1jfw n THR 82 Ca 0.68 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.69 1jfw n THR 82 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.48 0.94 3.75 3.41 0.00 -1.26 -4.87 105.19 106.68 1jfw n GLY 83 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 2.85 0.05 1.61 0.02 -1.26 -4.26 135.00 134.00 1jfw s PRO 84 Ca 0.00 1.74 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 1jfw s PRO 84 Cb 0.00 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1jfw s PRO 84 CO 0.00 -1.28 0.90 0.21 -0.33 0.00 0.00 177.00 176.49 1jfw s LYS 85 N -3.52 4.59 0.00 5.54 2.20 -1.26 -5.09 119.74 122.19 1jfw s LYS 85 Ca 0.75 1.30 0.03 0.00 -0.36 0.00 0.00 55.97 57.68 1jfw s LYS 85 Cb -0.28 -3.41 0.17 0.00 -1.51 0.00 0.00 37.83 32.80 1jfw s LYS 85 CO 0.36 0.14 0.65 -0.85 -0.36 0.00 0.00 175.35 175.28