#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 -1.40 2.12 2.13 -1.26 -4.48 120.64 117.74 1jfw n GLU 2 Ca 0.00 0.38 -0.33 0.00 0.66 0.00 0.00 57.16 57.86 1jfw n GLU 2 Cb 0.00 -0.87 -0.05 0.00 0.27 0.00 0.00 31.44 30.79 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 -1.87 3.48 -0.06 5.31 -0.04 -1.23 -4.67 135.00 135.93 1jfw n PRO 3 Ca 0.00 -2.24 -0.04 0.00 -0.04 0.00 0.00 63.50 61.18 1jfw n PRO 3 Cb 0.00 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 30.87 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 2.66 0.15 -3.10 0.52 2.07 -1.80 -2.37 116.25 114.40 1jfw h VAL 4 Ca 0.68 -1.14 -0.53 0.00 0.82 0.00 0.00 66.70 66.53 1jfw h VAL 4 Cb 0.55 0.32 0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1jfw h VAL 4 CO 1.37 0.05 0.94 -1.81 0.02 0.00 0.00 177.57 178.14 1jfw s ASP 5 N -5.74 6.36 -1.10 0.57 -0.00 -1.26 -4.76 116.67 110.74 1jfw s ASP 5 Ca -0.09 2.93 -0.22 0.00 -0.00 0.00 0.00 52.55 55.17 1jfw s ASP 5 Cb 0.01 -2.62 0.02 0.00 -0.00 0.00 0.00 42.92 40.33 1jfw s ASP 5 CO 0.17 -0.94 1.69 -2.16 -0.00 0.00 0.00 175.17 173.92 1jfw s PRO 6 N 0.08 3.37 -0.47 8.23 0.04 -1.26 -4.77 135.00 140.22 1jfw s PRO 6 Ca 0.67 -1.24 0.06 0.00 0.04 0.00 0.00 61.00 60.54 1jfw s PRO 6 Cb -0.49 -5.34 0.18 0.00 0.04 0.00 0.00 34.50 28.89 1jfw s PRO 6 CO 0.43 -2.68 0.59 0.50 0.04 0.00 0.00 177.00 175.88 1jfw s ARG 7 N 5.33 0.97 -0.05 4.56 3.52 -1.26 -4.71 118.95 127.30 1jfw s ARG 7 Ca 0.56 -1.24 0.06 0.00 -0.13 0.00 0.00 55.73 54.98 1jfw s ARG 7 Cb -0.00 -0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 32.93 1jfw s ARG 7 CO 0.00 -1.32 -0.23 -0.51 -0.81 0.00 0.00 175.30 172.44 1jfw s LEU 8 N 0.81 2.02 0.29 -0.88 1.43 -1.26 -4.78 118.68 116.32 1jfw s LEU 8 Ca 0.28 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1jfw s LEU 8 Cb -0.01 -1.23 0.45 0.00 0.03 0.00 0.00 46.19 45.43 1jfw s LEU 8 CO -0.09 0.23 1.94 1.05 0.23 0.00 0.00 176.35 179.72 1jfw h GLU 9 N 6.00 1.09 -5.61 1.70 9.09 -2.04 -3.19 114.58 121.62 1jfw h GLU 9 Ca -0.34 -0.07 -0.39 0.00 0.05 0.00 0.00 59.36 58.61 1jfw h GLU 9 Cb 1.17 -0.24 -0.05 0.00 -1.65 0.00 0.00 28.75 27.97 1jfw h GLU 9 CO 0.47 0.72 1.21 -1.25 0.05 0.00 0.00 179.01 180.21 1jfw s PRO 10 N -5.94 2.80 -0.89 1.06 0.04 -1.26 -4.96 135.00 125.85 1jfw s PRO 10 Ca -0.12 -1.14 -0.22 0.00 0.04 0.00 0.00 61.00 59.57 1jfw s PRO 10 Cb 0.19 -5.26 0.08 0.00 0.04 0.00 0.00 34.50 29.54 1jfw s PRO 10 CO 0.80 -3.51 1.23 -0.46 0.04 0.00 0.00 177.00 175.10 1jfw s TRP 11 N 9.47 2.72 -0.39 0.56 -0.00 -1.21 -4.68 118.94 125.41 1jfw s TRP 11 Ca 0.65 -0.87 0.11 0.00 -0.00 0.00 0.00 56.10 55.98 1jfw s TRP 11 Cb -0.01 -4.48 0.35 0.00 -0.00 0.00 0.00 33.47 29.33 1jfw s TRP 11 CO 0.09 -1.75 0.83 1.17 -0.00 0.00 0.00 176.95 177.28 1jfw n LYS 12 N 7.95 0.99 -3.74 5.86 4.81 -1.26 -5.08 118.16 127.69 1jfw n LYS 12 Ca 0.20 -3.03 -0.35 0.00 -0.87 0.00 0.00 58.31 54.26 1jfw n LYS 12 Cb 0.49 -1.53 -0.09 0.00 0.02 0.00 0.00 35.03 33.92 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 -1.79 3.56 0.31 5.64 2.46 -1.26 -4.23 115.29 119.98 1jfw s HIS 13 Ca 0.35 -2.95 0.08 0.00 0.47 0.00 0.00 55.06 53.02 1jfw s HIS 13 Cb 0.34 -3.11 0.49 0.00 -0.13 0.00 0.00 32.58 30.16 1jfw s HIS 13 CO -0.07 -0.76 1.71 -1.00 -2.47 0.00 0.00 174.74 172.15 1jfw h PRO 14 N 6.41 0.14 0.00 2.88 0.13 -1.84 -3.42 132.00 136.31 1jfw h PRO 14 Ca 0.06 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1jfw h PRO 14 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1jfw h PRO 14 CO 0.76 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 1jfw n GLY 15 N -0.15 1.70 3.14 1.56 0.00 -1.26 -4.58 105.19 105.60 1jfw n GLY 15 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.33 0.06 1.61 0.01 -1.26 -4.38 113.70 104.40 1jfw s SER 16 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1jfw s SER 16 Cb 0.00 1.81 0.00 0.00 0.21 0.00 0.00 66.02 68.04 1jfw s SER 16 CO 0.00 -0.23 0.00 1.67 0.41 0.00 0.00 173.24 175.09 1jfw n GLN 17 N 5.16 0.00 -2.32 12.44 0.00 -1.26 -4.90 117.38 126.50 1jfw n GLN 17 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.72 1jfw n GLN 17 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 30.24 30.69 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 -1.29 3.20 -0.32 3.69 0.04 -1.26 -4.98 135.00 134.08 1jfw s PRO 18 Ca 0.00 -1.31 -0.24 0.00 0.04 0.00 0.00 61.00 59.49 1jfw s PRO 18 Cb 0.00 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1jfw s PRO 18 CO 0.00 -3.01 0.81 0.21 0.04 0.00 0.00 177.00 175.06 1jfw s LYS 19 N 5.54 3.94 0.00 4.56 2.20 -1.26 -0.81 119.74 133.90 1jfw s LYS 19 Ca 0.60 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1jfw s LYS 19 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1jfw s LYS 19 CO 0.05 -0.72 0.00 2.41 -0.36 0.00 0.00 175.35 176.73 1jfw n THR 20 N 5.60 0.00 -1.86 3.43 -1.04 -1.26 -4.93 114.28 114.21 1jfw n THR 20 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 1jfw n THR 20 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.98 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 -1.09 6.11 0.00 2.41 0.00 -1.26 -4.74 120.51 121.94 1jfw n ALA 21 Ca 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.47 1jfw n ALA 21 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.23 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 -0.64 0.02 0.00 -1.32 -1.26 -4.43 115.64 108.02 1jfw s THR 23 Ca 0.00 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1jfw s THR 23 Cb 0.00 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1jfw s THR 23 CO 0.00 -0.01 0.00 0.41 -2.21 0.00 0.00 174.62 172.81 1jfw n THR 24 N 5.38 -4.17 -3.58 5.08 -1.04 0.01 -4.16 114.28 111.80 1jfw n THR 24 Ca -0.06 0.62 -0.15 0.00 -2.04 0.00 0.00 64.05 62.42 1jfw n THR 24 Cb 0.50 -3.09 -0.06 0.00 -1.82 0.00 0.00 70.33 65.86 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 0.67 0.00 0.00 0.00 4.01 -0.10 -2.18 117.16 119.56 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 0.59 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.52 0.00 0.00 2.85 -1.26 -2.34 118.16 118.93 1jfw n LYS 28 Ca 0.00 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.23 1jfw n LYS 28 Cb 0.00 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 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 0.62 0.00 -3.71 -1.58 4.76 -1.26 -5.04 118.16 111.95 1jfw n LYS 29 Ca 0.20 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.27 1jfw n LYS 29 Cb 0.60 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.70 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 -3.22 0.00 -4.15 0.00 3.72 -0.99 -4.47 117.46 108.36 1jfw n PHE 32 Ca -0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.03 1jfw n PHE 32 Cb 0.62 0.00 -0.07 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 2.98 0.04 1.38 3.76 -1.26 -4.45 115.29 117.74 1jfw s HIS 33 Ca 0.00 -0.07 -0.28 0.00 -0.15 0.00 0.00 55.06 54.56 1jfw s HIS 33 Cb 0.00 -1.45 -0.17 0.00 1.11 0.00 0.00 32.58 32.06 1jfw s HIS 33 CO 0.00 0.51 1.43 0.00 -0.85 0.00 0.00 174.74 175.83 1jfw s GLN 35 N -5.36 0.33 -0.74 0.00 -0.21 -1.26 -0.93 119.66 111.49 1jfw s GLN 35 Ca -0.15 0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.33 1jfw s GLN 35 Cb 0.03 -0.61 0.24 0.00 1.00 0.00 0.00 33.01 33.66 1jfw s GLN 35 CO 0.57 -0.93 0.79 1.55 -2.12 0.00 0.00 175.29 175.16 1jfw n VAL 36 N 5.33 2.67 -0.07 1.09 3.14 -1.26 -4.98 118.33 124.25 1jfw n VAL 36 Ca -0.02 -5.23 -0.08 0.00 -2.96 0.00 0.00 64.34 56.04 1jfw n VAL 36 Cb 0.48 -2.15 -0.04 0.00 -1.06 0.00 0.00 33.84 31.07 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 -4.61 0.00 -0.20 0.00 3.72 -1.26 -4.49 117.46 110.62 1jfw n PHE 38 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1jfw n PHE 38 Cb 0.32 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.49 -0.95 4.37 1.03 -1.76 -3.01 112.91 113.07 1jfw h THR 39 Ca 0.00 -0.03 0.13 0.00 -0.01 0.00 0.00 66.41 66.50 1jfw h THR 39 Cb 0.00 0.38 -0.08 0.00 -1.07 0.00 0.00 68.15 67.38 1jfw h THR 39 CO 0.00 0.02 0.60 0.74 -0.01 0.00 0.00 175.52 176.87 1jfw h THR 40 N 0.10 0.87 0.03 0.00 2.02 -1.83 -2.67 112.91 111.44 1jfw h THR 40 Ca 0.31 -0.29 -0.38 0.00 0.77 0.00 0.00 66.41 66.83 1jfw h THR 40 Cb 0.50 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1jfw h THR 40 CO -0.53 0.15 -2.30 1.17 0.37 0.00 0.00 175.52 174.38 1jfw n LYS 41 N -4.60 0.68 -0.13 6.66 4.81 -1.25 -4.69 118.16 119.64 1jfw n LYS 41 Ca 0.18 0.17 -0.27 0.00 -0.87 0.00 0.00 58.31 57.52 1jfw n LYS 41 Cb 0.42 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.78 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 -3.09 1.13 -3.51 3.14 0.00 -1.14 -2.29 120.51 114.74 1jfw n ALA 42 Ca -0.39 -0.96 -0.21 0.00 0.00 0.00 0.00 53.44 51.87 1jfw n ALA 42 Cb 1.03 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 20.29 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 -7.48 0.04 0.00 0.00 1.43 -1.01 -3.85 118.68 107.81 1jfw s LEU 43 Ca -0.36 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1jfw s LEU 43 Cb 0.12 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.53 1jfw s LEU 43 CO 0.53 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1jfw n GLY 44 N 5.30 0.11 0.06 -3.19 0.00 -1.20 -4.38 105.19 101.89 1jfw n GLY 44 Ca -0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 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 9.00 -0.10 -3.09 -0.61 5.41 -0.89 -1.70 119.36 127.38 1jfw n ILE 45 Ca 0.00 0.64 -0.20 0.00 1.00 0.00 0.00 62.75 64.19 1jfw n ILE 45 Cb 0.00 -0.82 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 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 -3.24 1.91 -3.85 4.38 3.41 -1.26 -4.34 113.62 110.63 1jfw n SER 46 Ca 0.00 -3.19 -0.28 0.00 -0.26 0.00 0.00 58.87 55.14 1jfw n SER 46 Cb 0.04 -0.60 -0.16 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 -2.76 1.64 0.00 7.33 2.02 -0.69 -4.81 117.35 120.08 1jfw s TYR 47 Ca 0.42 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1jfw s TYR 47 Cb 0.34 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 1jfw s TYR 47 CO -0.09 -0.65 0.00 0.41 -1.57 0.00 0.00 175.55 173.65 1jfw n GLY 48 N 4.88 2.43 1.44 0.71 0.00 -0.97 -3.24 105.19 110.45 1jfw n GLY 48 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 1.75 0.00 1.61 3.00 -1.25 -5.01 116.66 116.76 1jfw n ARG 49 Ca 0.00 -1.30 0.00 0.00 -0.01 0.00 0.00 57.85 56.54 1jfw n ARG 49 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 30.90 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 -0.11 0.00 -3.52 5.56 2.85 -1.26 -4.20 118.16 117.48 1jfw n LYS 50 Ca 0.23 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.20 1jfw n LYS 50 Cb 0.94 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 35.18 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 0.45 0.02 -1.58 1.02 -1.26 -4.25 119.74 114.14 1jfw s LYS 51 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 55.97 54.69 1jfw s LYS 51 Cb 0.00 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.94 1jfw s LYS 51 CO 0.00 -1.12 0.84 0.50 -0.92 0.00 0.00 175.35 174.64 1jfw s ARG 52 N 1.47 4.54 -1.34 1.68 6.06 -1.26 -4.95 118.95 125.16 1jfw s ARG 52 Ca 0.14 1.18 -0.13 0.00 -2.50 0.00 0.00 55.73 54.42 1jfw s ARG 52 Cb -0.20 -3.40 0.11 0.00 0.06 0.00 0.00 34.95 31.52 1jfw s ARG 52 CO -0.15 0.15 1.92 -2.13 -2.50 0.00 0.00 175.30 172.59 1jfw n ARG 53 N 3.24 3.26 -3.66 5.12 3.00 -1.26 -3.48 116.66 122.88 1jfw n ARG 53 Ca 0.01 -3.22 -0.08 0.00 -0.00 0.00 0.00 57.85 54.55 1jfw n ARG 53 Cb 0.50 -3.15 -0.08 0.00 0.00 0.00 0.00 32.46 29.74 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 2.05 0.61 0.02 -0.14 2.00 -1.26 -5.09 119.66 117.85 1jfw s GLN 54 Ca 0.45 1.09 0.00 0.00 -2.00 0.00 0.00 55.36 54.89 1jfw s GLN 54 Cb 0.09 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.99 1jfw s GLN 54 CO -0.02 -0.15 0.00 0.54 -0.50 0.00 0.00 175.29 175.16 1jfw n ARG 55 N 4.27 0.00 -3.60 1.67 1.74 -1.26 -4.53 116.66 114.94 1jfw n ARG 55 Ca -0.21 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.65 1jfw n ARG 55 Cb 0.58 -0.01 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 -2.59 -6.42 -3.79 5.56 0.63 -1.26 -4.38 116.66 104.42 1jfw n ARG 56 Ca 0.00 0.76 -0.29 0.00 -0.92 0.00 0.00 57.85 57.40 1jfw n ARG 56 Cb 0.00 -5.66 0.01 0.00 0.45 0.00 0.00 32.46 27.26 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 -4.47 -1.04 -0.19 -0.14 0.63 -1.26 -4.99 116.66 105.21 1jfw n ARG 57 Ca -0.17 0.45 -0.03 0.00 -0.92 0.00 0.00 57.85 57.18 1jfw n ARG 57 Cb 0.62 -2.00 0.17 0.00 0.45 0.00 0.00 32.46 31.71 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 -0.75 0.96 -2.56 -0.14 0.13 -1.87 -3.37 132.00 124.41 1jfw h PRO 58 Ca -0.60 -0.16 -0.46 0.00 -0.87 0.00 0.00 66.00 63.91 1jfw h PRO 58 Cb 1.26 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1jfw h PRO 58 CO 0.37 0.79 1.99 -0.35 -0.23 0.00 0.00 178.00 180.57 1jfw n PRO 59 N -4.30 2.96 -3.35 1.56 -0.04 -1.26 -4.71 135.00 125.86 1jfw n PRO 59 Ca 0.06 -1.67 -0.45 0.00 -0.04 0.00 0.00 63.50 61.39 1jfw n PRO 59 Cb 0.18 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 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 1.64 4.04 0.00 0.54 0.74 -1.26 -4.75 119.66 120.61 1jfw s GLN 60 Ca 0.69 -3.07 0.00 0.00 0.05 0.00 0.00 55.36 53.03 1jfw s GLN 60 Cb 0.24 -4.51 0.00 0.00 1.10 0.00 0.00 33.01 29.85 1jfw s GLN 60 CO -0.03 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 173.86 1jfw n GLY 61 N 2.95 -1.39 1.25 2.59 0.00 -1.26 -5.02 105.19 104.31 1jfw n GLY 61 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -3.92 1.61 2.88 -1.26 -4.90 113.62 108.03 1jfw n SER 62 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1jfw n SER 62 Cb 0.00 0.12 -0.16 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.62 1.60 0.11 -1.46 -0.21 -0.80 -4.78 119.66 113.50 1jfw s GLN 63 Ca 0.00 -0.53 -0.17 0.00 0.02 0.00 0.00 55.36 54.69 1jfw s GLN 63 Cb 0.00 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 1jfw s GLN 63 CO 0.00 -0.39 1.59 1.79 -2.12 0.00 0.00 175.29 176.16 1jfw h THR 64 N 6.33 1.23 0.00 -0.19 1.35 -1.90 -2.67 112.91 117.06 1jfw h THR 64 Ca -0.27 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1jfw h THR 64 Cb 1.11 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1jfw h THR 64 CO 0.42 0.27 0.00 1.41 -0.25 0.00 0.00 175.52 177.37 1jfw n HIS 65 N -4.60 0.00 -2.97 4.73 8.25 -1.26 -1.46 115.22 117.92 1jfw n HIS 65 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1jfw n HIS 65 Cb 0.22 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 12.37 3.11 -0.02 -0.41 7.27 -1.24 -4.32 117.38 134.13 1jfw n GLN 66 Ca 0.00 -4.79 -0.03 0.00 0.07 0.00 0.00 57.00 52.26 1jfw n GLN 66 Cb 0.00 -2.21 -0.01 0.00 2.41 0.00 0.00 30.24 30.43 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 -0.18 0.54 -0.94 1.69 0.31 -0.53 -4.68 118.33 114.54 1jfw n VAL 67 Ca 0.31 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 1jfw n VAL 67 Cb 0.40 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 -3.16 -5.60 -4.55 4.52 2.88 -1.26 -4.82 113.62 101.62 1jfw n SER 68 Ca -0.04 0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 57.86 1jfw n SER 68 Cb 0.16 -2.20 -0.04 0.00 -0.75 0.00 0.00 64.21 61.37 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 -2.12 3.25 0.00 2.46 1.43 -1.26 -4.43 118.68 118.01 1jfw s LEU 69 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1jfw s LEU 69 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1jfw s LEU 69 CO 0.00 -2.66 0.00 -1.54 0.23 0.00 0.00 176.35 172.38 1jfw n SER 70 N 14.00 0.00 -3.73 2.29 3.41 -1.26 -5.09 113.62 123.24 1jfw n SER 70 Ca 0.30 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 1jfw n SER 70 Cb 0.51 0.00 -0.16 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 0.70 0.38 4.33 2.20 -1.26 -5.10 119.74 120.99 1jfw s LYS 71 Ca 0.00 -0.71 0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1jfw s LYS 71 Cb 0.00 -2.02 0.84 0.00 -1.51 0.00 0.00 37.83 35.13 1jfw s LYS 71 CO 0.00 -0.80 1.96 1.96 -0.36 0.00 0.00 175.35 178.12 1jfw h GLN 72 N 8.18 0.62 -5.04 4.03 1.08 -1.88 -3.29 115.11 118.81 1jfw h GLN 72 Ca -0.16 -0.04 -0.42 0.00 -1.45 0.00 0.00 58.65 56.59 1jfw h GLN 72 Cb 1.07 -0.14 0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1jfw h GLN 72 CO 0.40 0.41 1.33 -2.30 -0.95 0.00 0.00 178.83 177.72 1jfw n PRO 73 N -4.48 1.13 -1.87 1.46 -0.02 -1.26 -4.66 135.00 125.30 1jfw n PRO 73 Ca 0.11 -1.97 -0.42 0.00 -2.02 0.00 0.00 63.50 59.19 1jfw n PRO 73 Cb 0.28 -3.35 0.00 0.00 -0.02 0.00 0.00 33.50 30.41 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 7.34 3.59 0.00 3.45 -1.04 -1.24 -4.86 114.28 121.52 1jfw n THR 74 Ca 0.46 -3.25 0.00 0.00 -2.04 0.00 0.00 64.05 59.22 1jfw n THR 74 Cb 0.44 -2.56 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 6.09 0.00 -3.99 8.00 3.41 -1.26 -4.45 113.62 121.42 1jfw n SER 75 Ca 0.50 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.95 1jfw n SER 75 Cb 0.39 0.00 -0.14 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 0.54 -0.93 4.33 -0.21 -1.26 -5.11 119.66 117.01 1jfw s GLN 76 Ca 0.00 -0.26 -0.24 0.00 0.02 0.00 0.00 55.36 54.88 1jfw s GLN 76 Cb 0.00 -0.51 0.02 0.00 1.00 0.00 0.00 33.01 33.51 1jfw s GLN 76 CO 0.00 0.14 1.60 -1.25 -2.12 0.00 0.00 175.29 173.66 1jfw s PRO 77 N -0.21 3.19 -1.31 2.91 0.04 -1.26 -4.92 135.00 133.44 1jfw s PRO 77 Ca 0.02 -0.68 -0.06 0.00 0.04 0.00 0.00 61.00 60.32 1jfw s PRO 77 Cb -0.03 -5.09 0.13 0.00 0.04 0.00 0.00 34.50 29.56 1jfw s PRO 77 CO -0.00 -2.58 2.27 0.54 0.04 0.00 0.00 177.00 177.27 1jfw n ARG 78 N 8.95 4.45 0.00 4.56 1.74 -1.26 -3.86 116.66 131.24 1jfw n ARG 78 Ca 0.31 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.88 1jfw n ARG 78 Cb 0.50 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 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 1.87 1.06 2.19 -0.13 0.00 -1.26 -4.95 105.19 103.97 1jfw n GLY 79 Ca 0.58 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.66 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 -5.02 -4.54 1.61 10.43 -1.23 -3.73 116.55 114.07 1jfw n ASP 80 Ca 0.00 0.24 -0.43 0.00 2.57 0.00 0.00 54.79 57.17 1jfw n ASP 80 Cb 0.00 -3.23 -0.00 0.00 1.84 0.00 0.00 41.12 39.73 1jfw n ASP 80 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1jfw s PRO 81 N -1.93 3.97 0.00 -0.24 0.04 -1.25 -4.30 135.00 131.30 1jfw s PRO 81 Ca 0.11 -2.10 0.00 0.00 0.04 0.00 0.00 61.00 59.06 1jfw s PRO 81 Cb -0.03 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1jfw s PRO 81 CO 0.39 -2.08 0.00 2.41 0.04 0.00 0.00 177.00 177.76 1jfw n THR 82 N 5.85 0.00 0.00 1.26 -1.04 -1.26 -4.92 114.28 114.17 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 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.04 0.26 3.72 3.41 0.00 -1.26 -4.85 105.19 106.51 1jfw n GLY 83 Ca 0.00 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 1.90 -2.59 1.61 -0.02 -1.26 -4.34 135.00 130.30 1jfw n PRO 84 Ca 0.00 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1jfw n PRO 84 Cb 0.00 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 30.96 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 -2.45 4.61 0.00 -0.52 2.20 -1.26 -5.10 119.74 117.22 1jfw s LYS 85 Ca 0.64 1.62 0.16 0.00 -0.36 0.00 0.00 55.97 58.03 1jfw s LYS 85 Cb -0.47 -3.33 0.96 0.00 -1.51 0.00 0.00 37.83 33.48 1jfw s LYS 85 CO 0.55 0.08 1.37 -0.85 -0.36 0.00 0.00 175.35 176.14