#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfn s ARG 2 N 0.00 3.58 -0.81 0.00 3.52 -1.26 -5.03 118.95 118.95 1jfn s ARG 2 Ca 0.00 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 1jfn s ARG 2 Cb 0.00 -3.10 0.31 0.00 -1.56 0.00 0.00 34.95 30.60 1jfn s ARG 2 CO 0.00 0.52 1.26 0.44 -0.81 0.00 0.00 175.30 176.71 1jfn n ILE 3 N 2.75 4.22 -3.00 4.11 -5.35 -1.26 -4.82 119.36 116.01 1jfn n ILE 3 Ca -0.18 -5.69 -0.17 0.00 -0.27 0.00 0.00 62.75 56.44 1jfn n ILE 3 Cb 0.53 -1.72 -0.01 0.00 -1.74 0.00 0.00 39.64 36.70 1jfn n ILE 3 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1jfn n HIS 4 N 0.33 -1.55 -2.93 4.28 8.25 -1.26 -5.12 115.22 117.22 1jfn n HIS 4 Ca 0.34 -2.84 0.00 0.00 -0.26 0.00 0.00 57.72 54.96 1jfn n HIS 4 Cb 0.35 0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1jfn n HIS 4 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jfn n HIS 5 N 1.32 -0.83 -2.79 4.41 -0.00 -1.26 -5.10 115.22 110.97 1jfn n HIS 5 Ca 0.16 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.91 1jfn n HIS 5 Cb 0.59 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.42 1jfn n HIS 5 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1jfn s HIS 6 N -7.90 2.81 0.25 1.57 3.76 -1.26 -4.99 115.29 109.53 1jfn s HIS 6 Ca 0.00 0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.84 1jfn s HIS 6 Cb 0.00 -4.11 -0.16 0.00 1.11 0.00 0.00 32.58 29.42 1jfn s HIS 6 CO 0.00 -1.30 0.69 0.72 -0.85 0.00 0.00 174.74 174.00 1jfn n HIS 7 N 7.51 0.11 0.35 1.40 8.25 -1.26 -4.84 115.22 126.74 1jfn n HIS 7 Ca 0.05 0.85 0.11 0.00 -0.26 0.00 0.00 57.72 58.46 1jfn n HIS 7 Cb 0.48 -2.06 0.26 0.00 1.12 0.00 0.00 29.99 29.79 1jfn n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jfn n HIS 8 N 0.01 0.57 -3.22 4.41 8.25 -1.26 -4.66 115.22 119.32 1jfn n HIS 8 Ca 0.14 -0.29 -0.44 0.00 -0.26 0.00 0.00 57.72 56.88 1jfn n HIS 8 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1jfn n HIS 8 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jfn n HIS 9 N 1.27 4.18 -2.12 4.41 -0.00 -1.26 -5.03 115.22 116.68 1jfn n HIS 9 Ca 0.19 -3.43 -0.42 0.00 -0.00 0.00 0.00 57.72 54.06 1jfn n HIS 9 Cb 0.54 -1.54 -0.03 0.00 -0.00 0.00 0.00 29.99 28.96 1jfn n HIS 9 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1jfn s ILE 10 N -1.85 3.09 -0.03 3.57 -5.25 -1.26 -4.92 121.20 114.55 1jfn s ILE 10 Ca 0.31 0.81 -0.18 0.00 -0.99 0.00 0.00 60.65 60.61 1jfn s ILE 10 Cb -0.05 -3.52 -0.32 0.00 2.95 0.00 0.00 42.46 41.52 1jfn s ILE 10 CO -0.01 0.08 0.84 -0.08 -1.79 0.00 0.00 174.94 173.98 1jfn h GLU 11 N 6.42 0.38 0.00 0.37 4.81 -1.99 -3.50 114.58 121.06 1jfn h GLU 11 Ca -0.43 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.15 1jfn h GLU 11 Cb 1.21 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1jfn h GLU 11 CO 0.85 1.31 0.00 0.41 -0.73 0.00 0.00 179.01 180.85 1jfn n GLY 12 N 1.72 -0.60 2.36 1.92 0.00 -1.26 -5.01 105.19 104.32 1jfn n GLY 12 Ca -0.18 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1jfn n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jfn n ARG 13 N 0.00 0.53 -3.64 1.61 0.63 -1.26 -5.04 116.66 109.48 1jfn n ARG 13 Ca 0.00 -3.32 -0.29 0.00 -0.92 0.00 0.00 57.85 53.32 1jfn n ARG 13 Cb 0.00 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jfn s ALA 14 N -0.51 1.71 0.16 5.13 0.00 -1.26 -4.95 121.76 122.03 1jfn s ALA 14 Ca 0.33 -2.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.03 1jfn s ALA 14 Cb 0.08 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1jfn s ALA 14 CO -0.16 -2.02 1.38 -1.00 0.00 0.00 0.00 175.76 173.95 1jfn h PRO 15 N 7.02 0.37 -1.40 0.00 0.13 -2.06 -3.33 132.00 132.72 1jfn h PRO 15 Ca -0.01 -0.35 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 1jfn h PRO 15 Cb 0.95 0.09 -0.42 0.00 0.13 0.00 0.00 31.00 31.76 1jfn h PRO 15 CO 0.42 1.02 -0.84 0.25 -0.23 0.00 0.00 178.00 178.61 1jfn n THR 16 N -3.77 2.04 -1.50 1.56 -2.24 -1.26 -5.03 114.28 104.07 1jfn n THR 16 Ca -0.05 -4.49 -0.29 0.00 -2.27 0.00 0.00 64.05 56.94 1jfn n THR 16 Cb 0.77 -0.81 -0.19 0.00 -2.10 0.00 0.00 70.33 68.01 1jfn n THR 16 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1jfn n GLU 17 N -0.38 0.05 -0.26 -0.78 0.28 -1.25 -4.71 120.64 113.59 1jfn n GLU 17 Ca 0.32 -0.04 0.06 0.00 -0.16 0.00 0.00 57.16 57.34 1jfn n GLU 17 Cb 0.70 -1.38 0.20 0.00 1.43 0.00 0.00 31.44 32.39 1jfn n GLU 17 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1jfn h GLN 18 N 11.71 0.39 -6.65 3.44 4.15 -1.96 -3.40 115.11 122.79 1jfn h GLN 18 Ca -0.00 -0.02 -0.53 0.00 0.77 0.00 0.00 58.65 58.87 1jfn h GLN 18 Cb 1.20 -0.09 0.04 0.00 0.21 0.00 0.00 27.48 28.84 1jfn h GLN 18 CO 1.50 0.26 0.74 -1.54 -1.93 0.00 0.00 178.83 177.86 1jfn s SER 19 N -5.30 6.75 0.00 -0.69 1.04 -1.26 -5.01 113.70 109.22 1jfn s SER 19 Ca -0.12 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1jfn s SER 19 Cb 0.21 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1jfn s SER 19 CO 0.76 -0.67 0.00 -0.81 0.98 0.00 0.00 173.24 173.51 1jfn n PRO 20 N 3.12 1.23 0.00 4.02 -0.04 -1.26 -5.06 135.00 137.01 1jfn n PRO 20 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1jfn n PRO 20 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1jfn n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jfn n GLY 21 N 3.18 -0.00 3.91 0.55 0.00 -1.26 -5.07 105.19 106.50 1jfn n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1jfn n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfn s VAL 22 N -2.00 5.21 0.00 1.61 0.11 -1.26 -5.06 120.40 119.01 1jfn s VAL 22 Ca 0.00 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1jfn s VAL 22 Cb 0.00 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1jfn s VAL 22 CO 0.00 -0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.75 1jfn n GLN 23 N -0.15 0.00 -2.49 1.54 10.64 -1.26 -5.08 117.38 120.58 1jfn n GLN 23 Ca -0.03 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.74 1jfn n GLN 23 Cb 0.52 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.87 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1jfn s ASP 24 N 0.00 6.36 -0.11 2.61 1.01 -1.26 -4.90 116.67 120.38 1jfn s ASP 24 Ca 0.00 -1.49 -0.29 0.00 0.71 0.00 0.00 52.55 51.47 1jfn s ASP 24 Cb 0.00 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.43 1jfn s ASP 24 CO 0.00 -1.64 0.71 0.00 0.21 0.00 0.00 175.17 174.45 1jfn s TYR 26 N -0.79 0.25 -0.06 0.00 -0.85 0.45 -4.59 117.35 111.76 1jfn s TYR 26 Ca -0.08 -0.61 0.03 0.00 -0.52 0.00 0.00 57.07 55.89 1jfn s TYR 26 Cb -0.01 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1jfn s TYR 26 CO 0.07 -0.76 -0.15 -1.58 -1.52 0.00 0.00 175.55 171.62 1jfn s HIS 27 N -3.94 2.71 0.00 -3.49 5.65 -1.26 0.24 115.29 115.20 1jfn s HIS 27 Ca 0.14 -0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.20 1jfn s HIS 27 Cb 0.02 -1.66 0.00 0.00 -1.18 0.00 0.00 32.58 29.76 1jfn s HIS 27 CO -0.01 0.11 0.00 0.41 -0.65 0.00 0.00 174.74 174.59 1jfn n GLY 28 N 2.53 0.97 0.17 1.59 0.00 -1.26 -1.71 105.19 107.48 1jfn n GLY 28 Ca -0.17 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.28 1jfn n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfn n ASP 29 N 4.37 0.67 0.00 1.61 9.92 -1.26 -4.95 116.55 126.90 1jfn n ASP 29 Ca 0.00 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.47 1jfn n ASP 29 Cb 0.00 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1jfn n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jfn n GLY 30 N -0.29 0.90 0.31 0.44 0.00 -0.70 -3.27 105.19 102.59 1jfn n GLY 30 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1jfn n GLY 30 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jfn h GLN 31 N 1.45 0.72 -0.82 1.61 4.20 -1.84 -0.76 115.11 119.68 1jfn h GLN 31 Ca 0.00 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1jfn h GLN 31 Cb 0.00 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 1jfn h GLN 31 CO 0.00 0.54 0.10 -1.13 -0.67 0.00 0.00 178.83 177.67 1jfn n SER 32 N -4.39 3.69 -4.70 1.46 3.41 -1.26 -4.72 113.62 107.11 1jfn n SER 32 Ca 0.05 -2.65 -0.41 0.00 -0.26 0.00 0.00 58.87 55.59 1jfn n SER 32 Cb 0.11 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.43 1jfn n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfn n TYR 33 N 0.15 2.10 -3.91 7.33 4.19 -0.29 -4.96 117.16 121.75 1jfn n TYR 33 Ca 0.21 0.51 -0.30 0.00 3.31 0.00 0.00 57.90 61.63 1jfn n TYR 33 Cb 0.91 -2.37 -0.14 0.00 0.49 0.00 0.00 39.34 38.23 1jfn n TYR 33 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1jfn s ARG 34 N -2.16 1.93 0.00 2.98 3.52 -1.26 -5.04 118.95 118.92 1jfn s ARG 34 Ca 0.60 -2.62 0.00 0.00 -0.13 0.00 0.00 55.73 53.59 1jfn s ARG 34 Cb -0.52 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1jfn s ARG 34 CO 0.58 -1.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 1jfn n GLY 35 N 3.05 2.80 2.69 8.12 0.00 -1.26 -5.00 105.19 115.59 1jfn n GLY 35 Ca 0.07 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1jfn n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfn n SER 36 N 0.00 6.96 -2.96 1.61 7.64 -1.26 -4.66 113.62 120.94 1jfn n SER 36 Ca 0.00 -3.30 -0.14 0.00 1.01 0.00 0.00 58.87 56.44 1jfn n SER 36 Cb 0.00 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1jfn n SER 36 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1jfn n PHE 37 N 1.75 0.79 -0.20 1.43 7.35 -1.26 -4.55 117.46 122.78 1jfn n PHE 37 Ca 0.48 -1.36 -0.02 0.00 -0.76 0.00 0.00 57.45 55.79 1jfn n PHE 37 Cb 0.29 -1.27 -0.03 0.00 0.35 0.00 0.00 39.48 38.82 1jfn n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jfn n SER 38 N 4.11 1.26 -4.24 -2.13 3.41 -1.26 -4.24 113.62 110.53 1jfn n SER 38 Ca 0.29 -1.59 -0.33 0.00 -0.26 0.00 0.00 58.87 56.98 1jfn n SER 38 Cb 0.15 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 1jfn n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jfn s THR 39 N 2.16 2.62 0.69 6.66 2.01 -1.26 -1.96 115.64 126.55 1jfn s THR 39 Ca 0.10 -0.77 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1jfn s THR 39 Cb 0.05 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1jfn s THR 39 CO 0.00 0.51 1.08 0.42 -0.69 0.00 0.00 174.62 175.93 1jfn s THR 40 N 1.01 3.72 0.42 -0.82 -4.23 -1.11 -2.31 115.64 112.32 1jfn s THR 40 Ca -0.01 0.54 0.19 0.00 -1.18 0.00 0.00 61.69 61.22 1jfn s THR 40 Cb -0.15 -3.55 0.39 0.00 1.34 0.00 0.00 72.50 70.53 1jfn s THR 40 CO -0.03 -0.72 1.84 0.58 -0.54 0.00 0.00 174.62 175.75 1jfn h VAL 41 N -0.57 0.64 0.00 2.29 2.07 -0.44 0.83 116.25 121.08 1jfn h VAL 41 Ca -0.45 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1jfn h VAL 41 Cb 1.24 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1jfn h VAL 41 CO 0.63 0.07 0.00 0.41 0.02 0.00 0.00 177.57 178.70 1jfn n THR 42 N -4.51 0.19 -0.29 2.57 -1.04 -1.26 -4.78 114.28 105.16 1jfn n THR 42 Ca 0.20 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1jfn n THR 42 Cb 0.75 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1jfn n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jfn n GLY 43 N 1.25 0.83 0.00 3.41 0.00 0.29 -5.07 105.19 105.90 1jfn n GLY 43 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jfn n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jfn n ARG 44 N -2.25 -0.48 -4.14 1.61 3.00 -1.26 -4.68 116.66 108.47 1jfn n ARG 44 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 1jfn n ARG 44 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1jfn s THR 45 N -0.99 3.71 0.52 5.15 2.01 -1.26 -2.77 115.64 122.01 1jfn s THR 45 Ca 0.00 -0.40 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1jfn s THR 45 Cb 0.00 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 1jfn s THR 45 CO 0.00 0.44 1.33 0.00 -0.69 0.00 0.00 174.62 175.71 1jfn s GLN 47 N -2.74 4.23 0.05 0.00 2.00 0.35 -4.32 119.66 119.23 1jfn s GLN 47 Ca 0.69 0.55 -0.37 0.00 -2.00 0.00 0.00 55.36 54.23 1jfn s GLN 47 Cb -0.43 -3.34 -0.19 0.00 0.80 0.00 0.00 33.01 29.85 1jfn s GLN 47 CO 0.51 0.38 1.06 0.43 -0.50 0.00 0.00 175.29 177.17 1jfn n SER 48 N 2.82 0.27 -0.20 6.67 7.64 -1.26 -4.44 113.62 125.13 1jfn n SER 48 Ca -0.09 1.15 0.15 0.00 1.01 0.00 0.00 58.87 61.09 1jfn n SER 48 Cb 0.51 -1.00 0.48 0.00 -1.01 0.00 0.00 64.21 63.20 1jfn n SER 48 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1jfn h TRP 49 N 3.08 0.56 0.00 1.43 4.06 0.19 0.45 115.95 125.71 1jfn h TRP 49 Ca -0.47 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1jfn h TRP 49 Cb 1.41 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1jfn h TRP 49 CO 0.56 0.20 0.00 0.45 -3.56 0.00 0.00 178.44 176.09 1jfn n SER 50 N -4.50 1.78 -4.69 -3.49 2.88 -1.26 -4.42 113.62 99.93 1jfn n SER 50 Ca 0.16 -1.86 -0.39 0.00 -1.33 0.00 0.00 58.87 55.45 1jfn n SER 50 Cb 0.55 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 1jfn n SER 50 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jfn s SER 51 N 0.42 6.73 0.00 -3.46 0.01 0.16 -4.92 113.70 112.64 1jfn s SER 51 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1jfn s SER 51 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1jfn s SER 51 CO 0.00 -0.17 0.84 0.23 0.41 0.00 0.00 173.24 174.55 1jfn n MET 52 N 4.45 1.84 -0.02 12.44 2.81 -1.26 -3.20 117.12 134.19 1jfn n MET 52 Ca -0.03 -1.20 -0.00 0.00 -1.81 0.00 0.00 57.70 54.66 1jfn n MET 52 Cb 0.51 -0.98 -0.00 0.00 -0.71 0.00 0.00 33.22 32.03 1jfn n MET 52 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1jfn h THR 53 N 0.10 0.00 0.00 2.03 1.35 -1.98 -3.39 112.91 111.02 1jfn h THR 53 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1jfn h THR 53 Cb 0.39 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1jfn h THR 53 CO 0.00 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 174.46 1jfn n PRO 54 N -3.02 0.00 -3.60 4.72 -0.04 -1.26 -4.67 135.00 127.13 1jfn n PRO 54 Ca -0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1jfn n PRO 54 Cb 0.01 -0.33 -0.07 0.00 -0.04 0.00 0.00 33.50 33.07 1jfn n PRO 54 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jfn s HIS 55 N -0.10 3.51 0.22 0.54 3.76 -1.26 -5.06 115.29 116.91 1jfn s HIS 55 Ca 0.00 -2.47 -0.31 0.00 -0.15 0.00 0.00 55.06 52.13 1jfn s HIS 55 Cb 0.00 -3.39 -0.15 0.00 1.11 0.00 0.00 32.58 30.15 1jfn s HIS 55 CO 0.00 -0.89 1.16 1.87 -0.85 0.00 0.00 174.74 176.03 1jfn n TRP 56 N 3.67 1.45 -3.79 1.40 -0.00 -1.26 -4.78 117.44 114.13 1jfn n TRP 56 Ca 0.09 0.64 -0.22 0.00 -0.00 0.00 0.00 57.50 58.01 1jfn n TRP 56 Cb 0.41 -2.30 -0.04 0.00 -0.00 0.00 0.00 31.31 29.37 1jfn n TRP 56 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 1jfn s HIS 57 N -0.45 2.73 -0.39 5.87 -3.43 -1.19 -5.01 115.29 113.42 1jfn s HIS 57 Ca 0.67 -0.45 0.12 0.00 -0.80 0.00 0.00 55.06 54.60 1jfn s HIS 57 Cb -0.77 -1.98 0.42 0.00 -1.43 0.00 0.00 32.58 28.83 1jfn s HIS 57 CO 0.54 0.06 0.96 1.04 -2.00 0.00 0.00 174.74 175.34 1jfn n GLN 58 N -1.40 1.94 -1.79 -0.38 1.13 -1.26 -4.80 117.38 110.82 1jfn n GLN 58 Ca 0.01 -3.77 -0.03 0.00 -1.94 0.00 0.00 57.00 51.27 1jfn n GLN 58 Cb 0.62 -1.69 0.02 0.00 0.11 0.00 0.00 30.24 29.29 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jfn n ARG 59 N -0.14 0.60 -0.54 -1.09 3.00 -1.26 -5.08 116.66 112.15 1jfn n ARG 59 Ca 0.22 -1.54 -0.17 0.00 -0.01 0.00 0.00 57.85 56.35 1jfn n ARG 59 Cb 0.71 0.14 0.14 0.00 0.00 0.00 0.00 32.46 33.45 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1jfn n THR 60 N -0.43 0.00 0.69 0.55 5.66 -1.26 -4.76 114.28 114.72 1jfn n THR 60 Ca -0.15 -0.04 0.12 0.00 -3.05 0.00 0.00 64.05 60.93 1jfn n THR 60 Cb 0.84 -0.46 0.48 0.00 -1.55 0.00 0.00 70.33 69.63 1jfn n THR 60 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jfn n THR 61 N -4.33 0.51 0.23 1.09 -2.24 -1.26 -2.45 114.28 105.83 1jfn n THR 61 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 1jfn n THR 61 Cb 0.34 -0.74 0.54 0.00 -2.10 0.00 0.00 70.33 68.38 1jfn n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jfn h GLU 62 N 0.00 0.00 -0.01 -0.78 4.57 -2.01 0.20 114.58 116.54 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jfn h GLU 62 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1jfn h GLU 62 CO 0.00 0.21 -0.20 0.98 -1.18 0.00 0.00 179.01 178.82 1jfn n TYR 63 N -3.99 0.00 -3.52 0.92 9.36 -1.02 -4.63 117.16 114.28 1jfn n TYR 63 Ca -0.02 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.92 1jfn n TYR 63 Cb 0.29 -0.12 -0.14 0.00 -0.63 0.00 0.00 39.34 38.74 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1jfn s TYR 64 N -2.45 0.30 -1.23 2.98 2.02 0.69 -4.97 117.35 114.70 1jfn s TYR 64 Ca 0.27 -0.90 0.21 0.00 -0.37 0.00 0.00 57.07 56.27 1jfn s TYR 64 Cb 0.20 -0.87 0.99 0.00 -0.40 0.00 0.00 41.96 41.87 1jfn s TYR 64 CO 0.49 -0.84 1.67 -0.35 -1.57 0.00 0.00 175.55 174.96 1jfn n PRO 65 N 5.14 0.17 -2.68 -1.71 -0.04 -1.23 -3.52 135.00 131.12 1jfn n PRO 65 Ca -0.04 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1jfn n PRO 65 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1jfn n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jfn n ASN 66 N -1.38 1.70 -0.11 3.54 4.13 -1.26 -4.90 115.26 116.98 1jfn n ASN 66 Ca 0.08 -2.62 -0.20 0.00 1.68 0.00 0.00 54.58 53.51 1jfn n ASN 66 Cb 0.20 -0.51 -0.09 0.00 -1.54 0.00 0.00 39.78 37.84 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jfn n GLY 67 N -0.21 -0.78 0.93 7.41 0.00 -1.23 -4.99 105.19 106.32 1jfn n GLY 67 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jfn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfn n GLY 68 N 1.43 0.77 0.77 -0.02 0.00 -1.26 -4.92 105.19 101.96 1jfn n GLY 68 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1jfn n GLY 68 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jfn n LEU 69 N 0.00 3.45 -4.48 0.99 -0.00 -1.26 -4.88 117.00 110.82 1jfn n LEU 69 Ca 0.00 -3.49 -0.39 0.00 -0.00 0.00 0.00 56.01 52.13 1jfn n LEU 69 Cb 0.00 -0.55 0.03 0.00 -0.00 0.00 0.00 43.42 42.90 1jfn n LEU 69 CO 0.00 1.04 0.12 1.07 -0.00 0.00 0.00 177.39 179.62 1jfn n THR 70 N -1.05 2.26 0.00 1.47 5.66 -1.26 -3.53 114.28 117.83 1jfn n THR 70 Ca 0.24 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1jfn n THR 70 Cb 0.86 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1jfn n THR 70 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1jfn n ARG 71 N 0.01 0.00 -0.27 1.09 0.63 -1.26 -2.82 116.66 114.04 1jfn n ARG 71 Ca 0.12 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.15 1jfn n ARG 71 Cb 0.46 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.62 1jfn n ARG 71 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jfn n ASN 72 N 6.56 3.53 -4.42 6.15 6.94 -1.26 0.19 115.26 132.95 1jfn n ASN 72 Ca 0.00 -1.98 -0.37 0.00 -0.02 0.00 0.00 54.58 52.22 1jfn n ASN 72 Cb 0.00 -0.36 0.06 0.00 -2.36 0.00 0.00 39.78 37.12 1jfn n ASN 72 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1jfn n TYR 73 N 1.30 -1.23 -3.78 -2.53 4.02 -1.13 -4.56 117.16 109.25 1jfn n TYR 73 Ca 0.20 0.34 -0.36 0.00 -0.01 0.00 0.00 57.90 58.07 1jfn n TYR 73 Cb 0.56 -1.87 -0.11 0.00 -0.02 0.00 0.00 39.34 37.89 1jfn n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfn s ARG 75 N 1.31 1.48 -0.61 0.00 3.00 -1.23 -4.39 118.95 118.52 1jfn s ARG 75 Ca 0.06 -1.82 0.06 0.00 0.00 0.00 0.00 55.73 54.03 1jfn s ARG 75 Cb -0.15 -0.18 0.27 0.00 0.00 0.00 0.00 34.95 34.89 1jfn s ARG 75 CO 0.05 -0.36 0.77 -1.71 0.00 0.00 0.00 175.30 174.04 1jfn n ASN 76 N -0.65 3.62 -2.67 0.23 5.15 -1.26 -1.15 115.26 118.53 1jfn n ASN 76 Ca 0.00 -3.43 -0.15 0.00 -0.60 0.00 0.00 54.58 50.40 1jfn n ASN 76 Cb 0.66 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1jfn n ASN 76 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1jfn n PRO 77 N 0.70 1.75 0.00 1.20 -0.04 -1.26 -4.22 135.00 133.12 1jfn n PRO 77 Ca 0.30 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1jfn n PRO 77 Cb 0.42 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1jfn n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jfn n ASP 78 N 3.37 0.00 0.00 3.54 8.00 -1.26 -5.08 116.55 125.12 1jfn n ASP 78 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1jfn n ASP 78 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfn n ALA 79 N -3.00 0.00 -2.38 2.24 0.00 -1.26 -5.12 120.51 110.99 1jfn n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jfn n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jfn n ALA 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jfn n GLU 80 N 0.00 0.88 0.26 0.00 -0.58 -1.26 -4.95 120.64 114.99 1jfn n GLU 80 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 1jfn n GLU 80 Cb 0.00 0.00 0.67 0.00 -0.57 0.00 0.00 31.44 31.54 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1jfn h ILE 81 N -0.25 0.94 -2.60 -3.67 -0.00 -1.93 -3.43 117.51 106.56 1jfn h ILE 81 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 64.86 64.83 1jfn h ILE 81 Cb 0.00 1.04 -0.00 0.00 -0.00 0.00 0.00 36.82 37.85 1jfn h ILE 81 CO 0.00 0.02 0.32 -1.54 -0.00 0.00 0.00 178.15 176.95 1jfn n SER 82 N -4.40 -1.62 -4.80 2.16 3.41 -1.20 -4.08 113.62 103.08 1jfn n SER 82 Ca -0.03 -2.03 -0.31 0.00 -0.26 0.00 0.00 58.87 56.24 1jfn n SER 82 Cb 0.11 2.68 0.06 0.00 -0.26 0.00 0.00 64.21 66.80 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jfn s PRO 83 N -2.06 2.77 0.43 4.33 0.04 -1.26 -4.77 135.00 134.48 1jfn s PRO 83 Ca 0.15 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.27 1jfn s PRO 83 Cb -0.03 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1jfn s PRO 83 CO 0.07 -1.24 0.13 1.67 0.04 0.00 0.00 177.00 177.68 1jfn s TRP 84 N -2.93 1.78 -0.18 0.56 1.48 -0.30 -0.25 118.94 119.09 1jfn s TRP 84 Ca 0.60 -1.31 -0.29 0.00 -1.06 0.00 0.00 56.10 54.03 1jfn s TRP 84 Cb -0.15 -1.18 0.13 0.00 -1.16 0.00 0.00 33.47 31.11 1jfn s TRP 84 CO 0.53 -0.30 1.02 0.00 -4.06 0.00 0.00 176.95 174.14 1jfn s TYR 86 N -0.95 2.25 -0.14 0.00 2.02 -1.26 -1.47 117.35 117.80 1jfn s TYR 86 Ca -0.01 1.24 -0.06 0.00 -0.37 0.00 0.00 57.07 57.88 1jfn s TYR 86 Cb -0.01 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1jfn s TYR 86 CO 0.00 -2.50 0.07 0.95 -1.57 0.00 0.00 175.55 172.50 1jfn s THR 87 N -2.91 4.84 -1.66 -0.71 -4.23 -1.18 0.13 115.64 109.92 1jfn s THR 87 Ca 0.64 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1jfn s THR 87 Cb -0.18 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.63 1jfn s THR 87 CO 0.57 0.53 0.90 1.15 -0.54 0.00 0.00 174.62 177.24 1jfn n MET 88 N 2.82 0.10 -4.84 3.99 0.00 -0.55 -4.39 117.12 114.24 1jfn n MET 88 Ca -0.18 0.15 -0.32 0.00 0.00 0.00 0.00 57.70 57.34 1jfn n MET 88 Cb 0.53 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.12 1jfn n MET 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jfn s ASP 89 N -2.34 4.02 0.00 3.17 1.11 -1.26 -4.98 116.67 116.39 1jfn s ASP 89 Ca 0.06 -0.23 0.13 0.00 0.18 0.00 0.00 52.55 52.69 1jfn s ASP 89 Cb 0.03 -0.82 0.61 0.00 1.07 0.00 0.00 42.92 43.81 1jfn s ASP 89 CO 0.07 0.33 1.35 -0.81 1.18 0.00 0.00 175.17 177.29 1jfn n PRO 90 N 2.16 0.12 0.15 8.23 -0.04 -1.26 -1.73 135.00 142.63 1jfn n PRO 90 Ca -0.17 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1jfn n PRO 90 Cb 0.52 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.81 1jfn n PRO 90 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1jfn h ASN 91 N 0.00 0.00 -4.28 3.54 -0.26 -1.93 -3.44 115.58 109.21 1jfn h ASN 91 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 1jfn h ASN 91 Cb 0.15 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 37.12 1jfn h ASN 91 CO 0.00 0.00 -0.84 -0.69 -1.06 0.00 0.00 177.43 174.84 1jfn s VAL 92 N -3.16 1.43 -0.11 2.81 1.01 -0.71 -5.06 120.40 116.61 1jfn s VAL 92 Ca 0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1jfn s VAL 92 Cb 0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1jfn s VAL 92 CO 0.62 0.41 -0.08 -0.09 0.00 0.00 0.00 175.10 175.95 1jfn h ARG 93 N 5.77 0.00 -3.11 2.72 9.65 -1.85 -3.39 114.38 124.18 1jfn h ARG 93 Ca -0.37 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1jfn h ARG 93 Cb 1.15 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.63 1jfn h ARG 93 CO 0.48 0.00 0.15 1.67 2.80 0.00 0.00 179.97 185.07 1jfn s TRP 94 N -1.82 -0.32 0.00 2.20 1.48 -1.26 -3.09 118.94 116.13 1jfn s TRP 94 Ca -0.07 0.01 -0.29 0.00 -1.06 0.00 0.00 56.10 54.70 1jfn s TRP 94 Cb 0.01 0.53 0.08 0.00 -1.16 0.00 0.00 33.47 32.93 1jfn s TRP 94 CO 0.10 -0.95 0.69 -2.00 -4.06 0.00 0.00 176.95 170.73 1jfn s GLU 95 N -3.83 1.07 0.99 3.25 2.56 -0.54 -4.91 118.70 117.30 1jfn s GLU 95 Ca 0.06 0.02 -0.17 0.00 0.00 0.00 0.00 54.97 54.88 1jfn s GLU 95 Cb -0.02 0.50 0.25 0.00 2.00 0.00 0.00 34.13 36.86 1jfn s GLU 95 CO -0.06 -0.38 0.78 0.66 -0.56 0.00 0.00 175.26 175.70 1jfn n TYR 96 N 0.48 -3.59 -4.71 5.30 4.01 -1.26 -0.67 117.16 116.71 1jfn n TYR 96 Ca -0.17 -0.72 -0.33 0.00 -0.16 0.00 0.00 57.90 56.52 1jfn n TYR 96 Cb 0.60 -0.89 -0.12 0.00 -0.31 0.00 0.00 39.34 38.62 1jfn n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jfn n ASN 98 N 2.21 0.40 -3.82 0.00 3.02 -0.98 -4.64 115.26 111.45 1jfn n ASN 98 Ca -0.18 -1.72 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 1jfn n ASN 98 Cb 0.53 -1.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.24 1jfn n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jfn s LEU 99 N 10.82 1.42 0.23 3.41 1.43 -1.26 -4.01 118.68 130.71 1jfn s LEU 99 Ca 0.76 0.19 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1jfn s LEU 99 Cb -0.18 0.29 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 1jfn s LEU 99 CO 0.18 -0.06 -0.18 0.42 0.23 0.00 0.00 176.35 176.93 1jfn s THR 100 N 0.37 2.15 -0.82 5.49 -4.23 -1.18 -4.79 115.64 112.62 1jfn s THR 100 Ca -0.03 -2.25 -0.24 0.00 -1.18 0.00 0.00 61.69 57.99 1jfn s THR 100 Cb -0.04 -2.14 -0.16 0.00 1.34 0.00 0.00 72.50 71.49 1jfn s THR 100 CO -0.01 -0.42 2.36 0.00 -0.54 0.00 0.00 174.62 176.00 1jfn n GLN 101 N -0.34 0.47 -1.46 3.99 6.02 -1.26 0.17 117.38 124.97 1jfn n GLN 101 Ca -0.08 -0.85 -0.42 0.00 -0.01 0.00 0.00 57.00 55.64 1jfn n GLN 101 Cb 0.59 -3.49 0.00 0.00 1.02 0.00 0.00 30.24 28.37 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jfn s PRO 103 N -1.52 4.25 1.09 0.00 0.04 -1.26 -4.82 135.00 132.78 1jfn s PRO 103 Ca 0.63 1.90 -0.19 0.00 0.04 0.00 0.00 61.00 63.38 1jfn s PRO 103 Cb -0.64 -3.72 0.08 0.00 0.04 0.00 0.00 34.50 30.26 1jfn s PRO 103 CO 0.58 -0.67 -0.14 1.55 0.04 0.00 0.00 177.00 178.36 1jfn n VAL 104 N 5.06 0.00 -1.43 -0.36 3.14 -1.26 -4.84 118.33 118.63 1jfn n VAL 104 Ca 0.14 -0.21 -0.35 0.00 -2.96 0.00 0.00 64.34 60.97 1jfn n VAL 104 Cb 0.44 -0.50 0.07 0.00 -1.06 0.00 0.00 33.84 32.78 1jfn n VAL 104 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1jfn n THR 105 N -4.33 3.58 -0.82 1.55 5.66 -1.26 -5.04 114.28 113.63 1jfn n THR 105 Ca 0.01 -3.15 0.00 0.00 -3.05 0.00 0.00 64.05 57.87 1jfn n THR 105 Cb 0.59 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 1jfn n THR 105 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jfn n GLU 106 N -0.75 0.00 0.00 1.09 1.02 -1.26 -4.69 120.64 116.05 1jfn n GLU 106 Ca 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1jfn n GLU 106 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1jfn n GLU 106 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jfn n SER 107 N -3.84 -0.55 -3.62 1.62 2.88 -1.26 -5.10 113.62 103.75 1jfn n SER 107 Ca 0.00 -0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 56.90 1jfn n SER 107 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1jfn n SER 107 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jfn s SER 108 N -1.32 -0.22 -0.16 -3.46 0.01 -1.26 -5.06 113.70 102.23 1jfn s SER 108 Ca 0.00 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.58 1jfn s SER 108 Cb 0.00 0.28 -0.23 0.00 0.21 0.00 0.00 66.02 66.28 1jfn s SER 108 CO 0.00 -0.16 0.19 0.52 0.41 0.00 0.00 173.24 174.21 1jfn n VAL 109 N 1.06 1.63 -3.20 3.43 0.31 -1.26 -4.57 118.33 115.73 1jfn n VAL 109 Ca -0.07 -0.67 -0.29 0.00 -0.01 0.00 0.00 64.34 63.29 1jfn n VAL 109 Cb 0.58 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 32.04 1jfn n VAL 109 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jfn n LEU 110 N -3.28 4.43 -4.70 7.52 -0.00 -1.26 -5.05 117.00 114.67 1jfn n LEU 110 Ca -0.34 -5.49 -0.35 0.00 -0.00 0.00 0.00 56.01 49.82 1jfn n LEU 110 Cb 1.04 -0.72 -0.09 0.00 -0.00 0.00 0.00 43.42 43.65 1jfn n LEU 110 CO 0.38 2.11 -0.24 0.00 -0.00 0.00 0.00 177.39 179.64 1jfn s ALA 111 N -2.90 3.50 -0.06 1.96 0.00 -1.26 -5.09 121.76 117.90 1jfn s ALA 111 Ca 0.42 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1jfn s ALA 111 Cb 0.18 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1jfn s ALA 111 CO -0.04 0.33 0.17 -0.08 0.00 0.00 0.00 175.76 176.14 1jfn s THR 112 N -0.11 -0.01 0.91 0.00 -1.32 -1.26 -5.15 115.64 108.70 1jfn s THR 112 Ca 0.07 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.47 1jfn s THR 112 Cb -0.12 -0.25 0.14 0.00 -1.51 0.00 0.00 72.50 70.77 1jfn s THR 112 CO 0.01 0.01 1.15 -0.44 -2.21 0.00 0.00 174.62 173.14 1jfn s SER 113 N 0.24 2.95 0.01 8.08 0.01 -1.26 -4.99 113.70 118.73 1jfn s SER 113 Ca -0.01 2.21 -0.10 0.00 1.31 0.00 0.00 55.95 59.36 1jfn s SER 113 Cb -0.02 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1jfn s SER 113 CO -0.01 -3.09 0.32 -0.89 0.41 0.00 0.00 173.24 169.98 1jfn s THR 114 N -2.61 5.21 0.49 1.44 2.01 -1.26 -5.10 115.64 115.82 1jfn s THR 114 Ca 0.67 0.42 0.07 0.00 0.31 0.00 0.00 61.69 63.16 1jfn s THR 114 Cb -0.23 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1jfn s THR 114 CO 0.57 0.44 0.44 0.00 -0.69 0.00 0.00 174.62 175.38 1jfn s ALA 115 N -1.23 4.30 -0.36 7.40 0.00 -1.26 -5.06 121.76 125.54 1jfn s ALA 115 Ca 0.26 -1.66 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 1jfn s ALA 115 Cb -0.14 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1jfn s ALA 115 CO 0.14 -0.41 1.03 0.08 0.00 0.00 0.00 175.76 176.61 1jfn s VAL 116 N -2.63 4.48 0.11 0.00 1.01 -1.26 -5.03 120.40 117.09 1jfn s VAL 116 Ca 0.44 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1jfn s VAL 116 Cb -0.03 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1jfn s VAL 116 CO 0.26 -0.59 -0.14 -0.55 0.00 0.00 0.00 175.10 174.08 1jfn s SER 117 N 1.87 4.12 0.00 3.32 0.15 -1.26 -4.94 113.70 116.96 1jfn s SER 117 Ca 0.43 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1jfn s SER 117 Cb -0.11 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1jfn s SER 117 CO 0.19 0.18 0.00 1.21 1.20 0.00 0.00 173.24 176.02 1jfn n GLU 118 N 0.77 0.00 0.00 5.44 2.13 -1.26 -5.34 120.64 122.39 1jfn n GLU 118 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1jfn n GLU 118 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1jfn n GLU 118 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76