#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 -1.70 2.12 2.13 -1.26 -4.50 120.64 117.43 1jfw n GLU 2 Ca 0.00 0.47 -0.41 0.00 0.66 0.00 0.00 57.16 57.88 1jfw n GLU 2 Cb 0.00 -0.98 -0.01 0.00 0.27 0.00 0.00 31.44 30.72 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 3.52 -0.07 5.31 -0.04 -1.24 -4.69 135.00 135.88 1jfw n PRO 3 Ca 0.00 -2.71 -0.05 0.00 -0.04 0.00 0.00 63.50 60.71 1jfw n PRO 3 Cb 0.00 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 30.48 1jfw n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfw n VAL 4 N 3.82 1.39 -2.25 0.52 0.31 -1.26 -1.74 118.33 119.12 1jfw n VAL 4 Ca 0.62 0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 64.75 1jfw n VAL 4 Cb 0.31 -2.38 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 1jfw n VAL 4 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1jfw s ASP 5 N -5.70 6.90 -1.27 4.52 1.01 -1.26 -4.59 116.67 116.28 1jfw s ASP 5 Ca -0.15 2.19 -0.19 0.00 0.71 0.00 0.00 52.55 55.11 1jfw s ASP 5 Cb 0.02 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1jfw s ASP 5 CO 0.22 -0.62 1.72 -2.16 0.21 0.00 0.00 175.17 174.53 1jfw s PRO 6 N 1.44 3.90 -0.43 8.23 0.04 -1.26 -4.64 135.00 142.28 1jfw s PRO 6 Ca 0.63 -1.88 0.07 0.00 0.04 0.00 0.00 61.00 59.86 1jfw s PRO 6 Cb -0.33 -5.51 0.23 0.00 0.04 0.00 0.00 34.50 28.92 1jfw s PRO 6 CO 0.29 -2.31 0.61 -2.13 0.04 0.00 0.00 177.00 173.50 1jfw n ARG 7 N 8.45 0.63 -3.72 4.56 0.63 -1.26 -3.97 116.66 121.97 1jfw n ARG 7 Ca 0.47 -2.70 -0.37 0.00 -0.92 0.00 0.00 57.85 54.33 1jfw n ARG 7 Cb 0.47 -1.38 -0.07 0.00 0.45 0.00 0.00 32.46 31.93 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 -0.66 4.35 0.16 6.15 1.43 -1.26 -4.70 118.68 124.14 1jfw s LEU 8 Ca 0.33 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.82 1jfw s LEU 8 Cb 0.15 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 44.19 1jfw s LEU 8 CO -0.16 0.30 1.70 1.05 0.23 0.00 0.00 176.35 179.47 1jfw h GLU 9 N 5.55 0.81 -5.84 1.70 9.09 -2.01 -3.31 114.58 120.57 1jfw h GLU 9 Ca -0.49 -0.16 -0.45 0.00 0.05 0.00 0.00 59.36 58.31 1jfw h GLU 9 Cb 1.20 -0.12 -0.07 0.00 -1.65 0.00 0.00 28.75 28.11 1jfw h GLU 9 CO 0.65 0.72 1.21 -1.25 0.05 0.00 0.00 179.01 180.39 1jfw s PRO 10 N -5.49 3.07 -0.56 1.06 0.04 -1.26 -4.99 135.00 126.88 1jfw s PRO 10 Ca -0.13 -0.88 -0.22 0.00 0.04 0.00 0.00 61.00 59.82 1jfw s PRO 10 Cb 0.12 -5.24 0.06 0.00 0.04 0.00 0.00 34.50 29.47 1jfw s PRO 10 CO 0.79 -2.91 0.82 -0.46 0.04 0.00 0.00 177.00 175.27 1jfw s TRP 11 N 7.73 2.88 -0.43 0.56 -0.11 -1.25 -4.80 118.94 123.52 1jfw s TRP 11 Ca 0.59 -0.35 0.08 0.00 1.22 0.00 0.00 56.10 57.65 1jfw s TRP 11 Cb -0.02 -3.91 0.30 0.00 -1.50 0.00 0.00 33.47 28.33 1jfw s TRP 11 CO -0.02 -1.28 0.84 1.17 -4.62 0.00 0.00 176.95 173.04 1jfw n LYS 12 N 6.97 0.89 -3.68 5.86 4.81 -1.26 -5.11 118.16 126.64 1jfw n LYS 12 Ca -0.03 -2.54 -0.28 0.00 -0.87 0.00 0.00 58.31 54.59 1jfw n LYS 12 Cb 0.46 -1.35 -0.11 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 -0.66 2.40 0.31 5.64 2.46 -1.26 -4.18 115.29 120.00 1jfw s HIS 13 Ca 0.32 -2.82 0.01 0.00 0.47 0.00 0.00 55.06 53.03 1jfw s HIS 13 Cb 0.27 -1.91 0.51 0.00 -0.13 0.00 0.00 32.58 31.31 1jfw s HIS 13 CO -0.12 -0.69 1.89 -1.00 -2.47 0.00 0.00 174.74 172.36 1jfw h PRO 14 N 5.69 0.78 0.00 2.88 0.13 -1.85 -3.42 132.00 136.21 1jfw h PRO 14 Ca 0.17 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1jfw h PRO 14 Cb 0.84 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1jfw h PRO 14 CO 0.55 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.39 1jfw n GLY 15 N -1.04 1.63 3.11 1.56 0.00 -1.26 -4.57 105.19 104.61 1jfw n GLY 15 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.15 0.18 1.61 0.01 -1.26 -4.39 113.70 104.70 1jfw s SER 16 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1jfw s SER 16 Cb 0.00 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.83 1jfw s SER 16 CO 0.00 -0.17 0.00 1.67 0.41 0.00 0.00 173.24 175.15 1jfw n GLN 17 N 4.80 0.00 -2.16 12.44 0.00 -1.26 -4.86 117.38 126.33 1jfw n GLN 17 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.72 1jfw n GLN 17 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 30.24 30.68 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 2.27 -2.87 3.69 -0.04 -1.26 -4.99 135.00 128.57 1jfw n PRO 18 Ca 0.00 -2.73 -0.42 0.00 -0.04 0.00 0.00 63.50 60.31 1jfw n PRO 18 Cb 0.00 -3.55 -0.04 0.00 -0.04 0.00 0.00 33.50 29.87 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 5.29 3.85 0.00 0.54 2.20 -1.26 -1.11 119.74 129.25 1jfw s LYS 19 Ca 0.61 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1jfw s LYS 19 Cb 0.03 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1jfw s LYS 19 CO 0.10 -0.86 0.00 2.41 -0.36 0.00 0.00 175.35 176.64 1jfw n THR 20 N 5.82 0.00 -1.87 3.43 -1.04 -1.26 -4.94 114.28 114.42 1jfw n THR 20 Ca 0.05 0.00 -0.42 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 -1.40 5.91 -0.02 2.41 0.00 -1.26 -4.70 120.51 121.45 1jfw n ALA 21 Ca 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.46 1jfw n ALA 21 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.17 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 -0.59 0.01 0.00 -1.32 -1.26 -4.46 115.64 108.02 1jfw s THR 23 Ca 0.00 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1jfw s THR 23 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1jfw s THR 23 CO 0.00 0.06 0.00 0.41 -2.21 0.00 0.00 174.62 172.88 1jfw n THR 24 N 5.38 -2.56 -3.57 5.08 -1.04 -0.27 -4.18 114.28 113.13 1jfw n THR 24 Ca -0.07 0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.99 1jfw n THR 24 Cb 0.50 -2.27 -0.04 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.28 0.00 0.00 0.00 4.01 -0.12 -1.93 117.16 118.83 1jfw n TYR 26 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1jfw n TYR 26 Cb 0.64 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.85 -3.12 116.57 113.70 1jfw h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jfw h LYS 28 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jfw h LYS 28 CO 0.00 0.00 -0.01 1.63 -2.00 0.00 0.00 179.45 179.07 1jfw n LYS 29 N -2.70 0.00 -3.43 0.07 4.76 -1.26 -4.97 118.16 110.64 1jfw n LYS 29 Ca 0.03 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 1jfw n LYS 29 Cb 0.35 -0.29 -0.04 0.00 -1.84 0.00 0.00 35.03 33.20 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 -3.29 0.00 -4.28 0.00 3.72 -1.18 -4.46 117.46 107.98 1jfw n PHE 32 Ca -0.10 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.04 1jfw n PHE 32 Cb 0.62 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.08 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 2.69 0.04 1.38 3.76 -1.26 -4.56 115.29 117.34 1jfw s HIS 33 Ca 0.00 -0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 54.42 1jfw s HIS 33 Cb 0.00 -1.28 -0.17 0.00 1.11 0.00 0.00 32.58 32.24 1jfw s HIS 33 CO 0.00 0.54 1.37 0.00 -0.85 0.00 0.00 174.74 175.80 1jfw s GLN 35 N -5.25 0.47 -0.56 0.00 -0.21 -1.26 -0.94 119.66 111.90 1jfw s GLN 35 Ca -0.16 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 54.96 1jfw s GLN 35 Cb 0.03 -0.55 0.14 0.00 1.00 0.00 0.00 33.01 33.62 1jfw s GLN 35 CO 0.55 -1.09 0.31 0.54 -2.12 0.00 0.00 175.29 173.48 1jfw s VAL 36 N 2.10 2.77 -0.14 1.09 0.11 -1.26 -4.99 120.40 120.07 1jfw s VAL 36 Ca 0.12 -3.40 -0.12 0.00 -2.93 0.00 0.00 61.98 55.66 1jfw s VAL 36 Cb -0.14 -2.89 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 1jfw s VAL 36 CO -0.22 -0.83 -0.23 0.00 -3.33 0.00 0.00 175.10 170.49 1jfw n PHE 38 N -4.32 0.00 -0.30 0.00 3.72 -1.26 -4.52 117.46 110.77 1jfw n PHE 38 Ca -0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.44 1jfw n PHE 38 Cb 0.34 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.42 -0.65 4.37 1.03 -1.77 -1.88 112.91 114.42 1jfw h THR 39 Ca 0.00 -0.11 0.07 0.00 -0.01 0.00 0.00 66.41 66.36 1jfw h THR 39 Cb 0.00 0.06 -0.04 0.00 -1.07 0.00 0.00 68.15 67.10 1jfw h THR 39 CO 0.00 0.06 0.43 0.74 -0.01 0.00 0.00 175.52 176.74 1jfw h THR 40 N 0.33 0.98 0.00 0.00 2.02 -1.84 -3.10 112.91 111.30 1jfw h THR 40 Ca 0.56 -0.21 -0.20 0.00 0.77 0.00 0.00 66.41 67.33 1jfw h THR 40 Cb 1.10 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1jfw h THR 40 CO -0.57 0.11 -1.15 0.50 0.37 0.00 0.00 175.52 174.78 1jfw h LYS 41 N 0.61 0.00 0.00 6.66 3.64 -1.89 -3.41 116.57 122.17 1jfw h LYS 41 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1jfw h LYS 41 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1jfw h LYS 41 CO -0.09 0.91 -0.38 0.00 -2.27 0.00 0.00 179.45 177.61 1jfw n ALA 42 N -3.41 0.34 -3.61 5.00 0.00 -0.72 -3.29 120.51 114.82 1jfw n ALA 42 Ca -0.29 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 1jfw n ALA 42 Cb 0.64 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.94 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 -7.08 0.06 0.00 0.00 1.43 -1.17 -3.07 118.68 108.85 1jfw s LEU 43 Ca -0.11 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1jfw s LEU 43 Cb 0.02 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.34 1jfw s LEU 43 CO 0.16 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1jfw n GLY 44 N 5.31 -0.82 0.00 -3.19 0.00 -1.21 -4.43 105.19 100.85 1jfw n GLY 44 Ca -0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 7.31 -0.01 -3.10 -0.61 5.41 -0.71 -1.59 119.36 126.06 1jfw n ILE 45 Ca 0.00 0.31 -0.22 0.00 1.00 0.00 0.00 62.75 63.84 1jfw n ILE 45 Cb 0.00 -0.42 -0.04 0.00 -0.71 0.00 0.00 39.64 38.48 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 -2.30 2.43 -3.78 4.38 3.41 -1.26 -4.32 113.62 112.17 1jfw n SER 46 Ca 0.00 -3.29 -0.22 0.00 -0.26 0.00 0.00 58.87 55.10 1jfw n SER 46 Cb 0.00 -0.60 -0.17 0.00 -0.26 0.00 0.00 64.21 63.18 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 -2.79 0.67 0.00 7.33 2.02 -0.62 -4.78 117.35 119.18 1jfw s TYR 47 Ca 0.43 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1jfw s TYR 47 Cb 0.30 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 1jfw s TYR 47 CO -0.10 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 1jfw n GLY 48 N 5.03 1.46 0.26 0.71 0.00 -1.21 -2.77 105.19 108.67 1jfw n GLY 48 Ca -0.09 0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.00 1.61 -0.00 -1.83 -3.49 114.38 110.67 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 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1jfw h ARG 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.97 180.33 1jfw n LYS 50 N -3.09 0.00 -3.58 0.04 2.85 -1.11 -4.48 118.16 108.79 1jfw n LYS 50 Ca 0.02 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.00 1jfw n LYS 50 Cb 0.37 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.65 1jfw n LYS 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jfw n LYS 51 N 0.00 1.86 -2.88 -1.58 5.02 -1.26 -4.46 118.16 114.86 1jfw n LYS 51 Ca 0.00 -4.32 -0.42 0.00 -2.02 0.00 0.00 58.31 51.55 1jfw n LYS 51 Cb 0.00 -2.11 -0.04 0.00 -0.02 0.00 0.00 35.03 32.86 1jfw n LYS 51 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jfw s ARG 52 N -1.72 4.25 -1.30 1.97 6.06 -1.26 -4.98 118.95 121.96 1jfw s ARG 52 Ca 0.33 0.99 -0.12 0.00 -2.50 0.00 0.00 55.73 54.43 1jfw s ARG 52 Cb 0.07 -3.61 0.13 0.00 0.06 0.00 0.00 34.95 31.60 1jfw s ARG 52 CO -0.10 -0.42 1.82 -2.13 -2.50 0.00 0.00 175.30 171.97 1jfw n ARG 53 N 5.60 3.36 -3.64 5.12 3.00 -1.26 -3.66 116.66 125.18 1jfw n ARG 53 Ca 0.05 -3.40 -0.06 0.00 -0.00 0.00 0.00 57.85 54.44 1jfw n ARG 53 Cb 0.48 -3.09 -0.07 0.00 0.00 0.00 0.00 32.46 29.78 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 1.69 0.60 0.06 -0.14 2.00 -1.26 -5.10 119.66 117.51 1jfw s GLN 54 Ca 0.44 0.99 0.00 0.00 -2.00 0.00 0.00 55.36 54.79 1jfw s GLN 54 Cb 0.07 0.15 0.00 0.00 0.80 0.00 0.00 33.01 34.02 1jfw s GLN 54 CO -0.00 -0.12 0.00 0.54 -0.50 0.00 0.00 175.29 175.21 1jfw n ARG 55 N 3.88 0.00 -3.37 1.67 1.74 -1.26 -4.61 116.66 114.70 1jfw n ARG 55 Ca -0.19 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.70 1jfw n ARG 55 Cb 0.58 -0.02 0.07 0.00 -1.02 0.00 0.00 32.46 32.07 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 -2.71 -6.46 -3.69 5.56 0.63 -1.26 -4.22 116.66 104.51 1jfw n ARG 56 Ca 0.00 0.70 -0.24 0.00 -0.92 0.00 0.00 57.85 57.38 1jfw n ARG 56 Cb 0.00 -5.32 0.03 0.00 0.45 0.00 0.00 32.46 27.62 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 -4.14 -3.28 -0.09 -0.14 3.00 -1.26 -5.00 116.66 105.74 1jfw n ARG 57 Ca -0.04 0.56 -0.12 0.00 -0.00 0.00 0.00 57.85 58.25 1jfw n ARG 57 Cb 0.57 -4.82 -0.04 0.00 0.00 0.00 0.00 32.46 28.16 1jfw n ARG 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1jfw h PRO 58 N -1.79 0.56 -3.22 -0.14 0.13 -1.88 -3.37 132.00 122.29 1jfw h PRO 58 Ca -0.63 -0.24 -0.65 0.00 -0.87 0.00 0.00 66.00 63.61 1jfw h PRO 58 Cb 1.36 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.49 1jfw h PRO 58 CO 0.54 0.80 3.60 -0.35 -0.23 0.00 0.00 178.00 182.36 1jfw n PRO 59 N -4.45 3.37 -2.71 1.56 -0.04 -1.26 -4.83 135.00 126.65 1jfw n PRO 59 Ca -0.04 -2.18 -0.43 0.00 -0.04 0.00 0.00 63.50 60.82 1jfw n PRO 59 Cb 0.35 -2.84 0.01 0.00 -0.04 0.00 0.00 33.50 30.98 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 4.08 4.20 0.00 0.54 7.27 -1.26 -4.50 117.38 127.71 1jfw n GLN 60 Ca 0.71 -4.14 0.00 0.00 0.07 0.00 0.00 57.00 53.64 1jfw n GLN 60 Cb 0.25 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.23 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 1.84 2.17 0.11 1.69 0.00 -1.26 -5.02 105.19 104.72 1jfw n GLY 61 Ca 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.88 1.61 2.88 -1.26 -5.11 113.62 107.86 1jfw n SER 62 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1jfw n SER 62 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.05 0.28 -0.17 -1.46 -0.21 -1.26 -4.98 119.66 111.81 1jfw s GLN 63 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 55.36 55.03 1jfw s GLN 63 Cb 0.00 0.12 -0.07 0.00 1.00 0.00 0.00 33.01 34.06 1jfw s GLN 63 CO 0.00 -0.06 -0.29 0.25 -2.12 0.00 0.00 175.29 173.07 1jfw n THR 64 N 2.18 1.38 0.00 -0.19 -2.24 -1.26 -4.05 114.28 110.09 1jfw n THR 64 Ca -0.18 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1jfw n THR 64 Cb 0.57 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 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 -4.20 0.00 -3.58 4.78 8.25 -1.26 -2.66 115.22 116.55 1jfw n HIS 65 Ca -0.24 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.94 1jfw n HIS 65 Cb 0.58 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1jfw n HIS 65 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1jfw s GLN 66 N 0.00 1.25 0.00 -0.41 -0.44 -1.26 -4.43 119.66 114.37 1jfw s GLN 66 Ca 0.00 -2.20 0.00 0.00 -2.50 0.00 0.00 55.36 50.66 1jfw s GLN 66 Cb 0.00 -2.02 0.00 0.00 -1.64 0.00 0.00 33.01 29.35 1jfw s GLN 66 CO 0.00 -1.28 0.00 0.28 0.50 0.00 0.00 175.29 174.79 1jfw n VAL 67 N 3.04 0.00 -2.21 1.34 0.31 -1.09 -4.56 118.33 115.17 1jfw n VAL 67 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 1jfw n VAL 67 Cb 0.40 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 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 -2.36 -3.86 -4.56 4.52 2.88 -1.25 -4.75 113.62 104.24 1jfw n SER 68 Ca 0.00 1.22 -0.38 0.00 -1.33 0.00 0.00 58.87 58.39 1jfw n SER 68 Cb 0.00 -4.29 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 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 -0.49 3.39 0.00 2.46 1.43 -1.26 -4.51 118.68 119.70 1jfw s LEU 69 Ca -0.13 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1jfw s LEU 69 Cb 0.01 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1jfw s LEU 69 CO 0.34 -2.62 0.00 -1.54 0.23 0.00 0.00 176.35 172.76 1jfw n SER 70 N 14.54 0.00 -4.31 2.29 3.41 -1.26 -5.05 113.62 123.24 1jfw n SER 70 Ca 0.32 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 1jfw n SER 70 Cb 0.53 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.21 2.80 0.17 4.33 2.20 -1.26 -5.06 119.74 123.13 1jfw s LYS 71 Ca 0.00 -1.50 -0.15 0.00 -0.36 0.00 0.00 55.97 53.96 1jfw s LYS 71 Cb 0.00 -4.02 0.13 0.00 -1.51 0.00 0.00 37.83 32.43 1jfw s LYS 71 CO 0.00 -1.08 1.69 1.96 -0.36 0.00 0.00 175.35 177.56 1jfw h GLN 72 N 8.63 0.10 -5.68 4.03 1.08 -1.93 -3.26 115.11 118.08 1jfw h GLN 72 Ca -0.26 -0.01 -0.37 0.00 -1.45 0.00 0.00 58.65 56.57 1jfw h GLN 72 Cb 1.10 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.45 1jfw h GLN 72 CO 0.87 0.06 1.05 -2.14 -0.95 0.00 0.00 178.83 177.72 1jfw s PRO 73 N -6.18 2.75 -1.39 1.46 0.02 -1.26 -4.58 135.00 125.82 1jfw s PRO 73 Ca -0.13 -0.83 -0.15 0.00 0.02 0.00 0.00 61.00 59.90 1jfw s PRO 73 Cb 0.15 -5.20 0.06 0.00 0.02 0.00 0.00 34.50 29.53 1jfw s PRO 73 CO 0.71 -3.40 2.01 2.41 -0.33 0.00 0.00 177.00 178.41 1jfw n THR 74 N 7.64 3.69 0.00 0.99 -1.04 -1.23 -4.85 114.28 119.47 1jfw n THR 74 Ca 0.42 -3.51 0.00 0.00 -2.04 0.00 0.00 64.05 58.92 1jfw n THR 74 Cb 0.47 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 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 6.92 0.00 -3.99 8.00 3.41 -1.26 -4.64 113.62 122.06 1jfw n SER 75 Ca 0.50 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.95 1jfw n SER 75 Cb 0.42 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.49 -0.98 4.33 -0.21 -1.26 -5.11 119.66 116.91 1jfw s GLN 76 Ca 0.00 -0.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.84 1jfw s GLN 76 Cb 0.00 -0.44 0.03 0.00 1.00 0.00 0.00 33.01 33.59 1jfw s GLN 76 CO 0.00 0.12 1.57 -1.25 -2.12 0.00 0.00 175.29 173.61 1jfw s PRO 77 N -0.38 3.32 -1.12 2.91 0.04 -1.26 -4.94 135.00 133.57 1jfw s PRO 77 Ca 0.00 -0.89 -0.15 0.00 0.04 0.00 0.00 61.00 60.00 1jfw s PRO 77 Cb -0.04 -5.26 0.16 0.00 0.04 0.00 0.00 34.50 29.40 1jfw s PRO 77 CO -0.00 -2.50 1.34 1.03 0.04 0.00 0.00 177.00 176.91 1jfw s ARG 78 N 5.51 3.94 0.00 4.56 0.52 -1.26 -4.41 118.95 127.80 1jfw s ARG 78 Ca 0.52 -2.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.40 1jfw s ARG 78 Cb -0.02 -5.02 0.00 0.00 0.52 0.00 0.00 34.95 30.43 1jfw s ARG 78 CO -0.07 -1.77 0.00 0.41 0.02 0.00 0.00 175.30 173.89 1jfw n GLY 79 N 4.55 0.63 2.23 -3.53 0.00 -1.26 -4.72 105.19 103.08 1jfw n GLY 79 Ca 0.33 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.01 -5.24 -4.14 1.61 10.43 -1.17 -4.36 116.55 113.68 1jfw n ASP 80 Ca 0.00 0.31 -0.43 0.00 2.57 0.00 0.00 54.79 57.25 1jfw n ASP 80 Cb 0.00 -3.39 0.00 0.00 1.84 0.00 0.00 41.12 39.57 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 -0.36 3.20 0.00 -0.24 -0.04 -1.26 -4.24 135.00 132.06 1jfw n PRO 81 Ca 0.06 -3.20 0.00 0.00 -0.04 0.00 0.00 63.50 60.32 1jfw n PRO 81 Cb 0.24 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 5.06 0.00 0.00 0.52 -1.04 -1.26 -4.95 114.28 112.62 1jfw n THR 82 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 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 -0.12 0.17 3.76 3.41 0.00 -1.26 -4.86 105.19 106.29 1jfw n GLY 83 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.69 2.08 -0.37 1.61 0.02 -1.26 -4.25 135.00 132.14 1jfw s PRO 84 Ca 0.00 1.08 0.14 0.00 0.02 0.00 0.00 61.00 62.24 1jfw s PRO 84 Cb 0.00 -1.88 0.42 0.00 0.02 0.00 0.00 34.50 33.06 1jfw s PRO 84 CO 0.00 -1.74 0.92 1.17 -0.33 0.00 0.00 177.00 177.01 1jfw n LYS 85 N -3.58 1.56 0.00 5.54 0.00 -1.26 -4.97 118.16 115.45 1jfw n LYS 85 Ca 0.09 -3.57 0.00 0.00 0.00 0.00 0.00 58.31 54.83 1jfw n LYS 85 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1jfw n LYS 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55