#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 2.52 -0.06 0.00 3.52 -1.26 -4.88 118.95 118.79 1jfn s ARG 2 Ca 0.00 -2.17 -0.01 0.00 -0.13 0.00 0.00 55.73 53.42 1jfn s ARG 2 Cb 0.00 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1jfn s ARG 2 CO 0.00 -1.17 0.02 -0.89 -0.81 0.00 0.00 175.30 172.45 1jfn n ILE 3 N 4.15 -3.98 -1.46 4.11 5.41 -1.26 -4.67 119.36 121.67 1jfn n ILE 3 Ca 0.02 0.73 0.18 0.00 1.00 0.00 0.00 62.75 64.68 1jfn n ILE 3 Cb 0.40 -3.69 -0.08 0.00 -0.71 0.00 0.00 39.64 35.56 1jfn n ILE 3 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1jfn n HIS 4 N 1.59 -3.82 -2.68 1.39 8.25 -1.26 -4.94 115.22 113.75 1jfn n HIS 4 Ca -0.03 2.07 -0.05 0.00 -0.26 0.00 0.00 57.72 59.44 1jfn n HIS 4 Cb 0.30 -3.48 0.09 0.00 1.12 0.00 0.00 29.99 28.03 1jfn n HIS 4 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1jfn n HIS 5 N -4.34 -1.95 -2.89 4.41 1.44 -1.26 -4.34 115.22 106.28 1jfn n HIS 5 Ca -0.07 -1.61 -0.04 0.00 -2.01 0.00 0.00 57.72 53.99 1jfn n HIS 5 Cb 0.69 1.49 0.00 0.00 0.12 0.00 0.00 29.99 32.29 1jfn n HIS 5 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1jfn n HIS 6 N -0.69 -3.06 -0.66 -1.40 8.25 -1.26 -5.00 115.22 111.39 1jfn n HIS 6 Ca -0.10 1.32 0.00 0.00 -0.26 0.00 0.00 57.72 58.69 1jfn n HIS 6 Cb 0.80 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.61 1jfn n HIS 6 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jfn n HIS 7 N 0.55 0.00 -2.04 4.41 -0.00 -1.26 -5.00 115.22 111.88 1jfn n HIS 7 Ca 0.02 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.89 1jfn n HIS 7 Cb 0.24 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.13 1jfn n HIS 7 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jfn n HIS 8 N 0.00 3.12 -0.97 1.57 8.25 -1.26 -4.85 115.22 121.08 1jfn n HIS 8 Ca 0.00 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 54.77 1jfn n HIS 8 Cb 0.00 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.63 0.00 -2.89 4.41 -0.00 -1.26 -4.95 115.22 109.90 1jfn n HIS 9 Ca 0.48 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 58.24 1jfn n HIS 9 Cb 0.65 -1.28 -0.04 0.00 -0.12 0.00 0.00 29.99 29.20 1jfn n HIS 9 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1jfn s ILE 10 N -1.41 4.89 -0.02 3.57 -5.25 -1.26 -4.90 121.20 116.82 1jfn s ILE 10 Ca 0.00 1.65 0.22 0.00 -0.99 0.00 0.00 60.65 61.53 1jfn s ILE 10 Cb 0.00 -4.14 0.38 0.00 2.95 0.00 0.00 42.46 41.65 1jfn s ILE 10 CO 0.00 0.06 1.15 -1.84 -1.79 0.00 0.00 174.94 172.52 1jfn n GLU 11 N 4.99 0.14 -0.32 0.37 0.28 -1.26 -4.87 120.64 119.98 1jfn n GLU 11 Ca 0.04 -2.00 0.35 0.00 -0.16 0.00 0.00 57.16 55.39 1jfn n GLU 11 Cb 0.49 -0.20 0.74 0.00 1.43 0.00 0.00 31.44 33.90 1jfn n GLU 11 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1jfn h GLY 12 N 0.88 0.00 -2.45 -1.84 0.00 -2.01 -3.39 103.07 94.25 1jfn h GLY 12 Ca -0.18 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.65 1jfn h GLY 12 CO 0.08 0.00 -0.01 -1.60 0.00 0.00 0.00 176.54 175.01 1jfn s ARG 13 N -4.89 3.58 0.18 4.80 3.52 -1.26 -5.10 118.95 119.78 1jfn s ARG 13 Ca -0.05 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 1jfn s ARG 13 Cb 0.22 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 1jfn s ARG 13 CO 0.78 -0.02 -0.04 0.00 -0.81 0.00 0.00 175.30 175.20 1jfn s ALA 14 N -2.47 1.54 0.00 6.12 0.00 -1.26 -5.12 121.76 120.57 1jfn s ALA 14 Ca 0.45 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1jfn s ALA 14 Cb -0.10 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1jfn s ALA 14 CO 0.38 -0.20 0.00 -0.35 0.00 0.00 0.00 175.76 175.59 1jfn n PRO 15 N -0.28 0.00 0.00 0.00 -0.04 -1.26 -4.99 135.00 128.43 1jfn n PRO 15 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1jfn n PRO 15 Cb 0.62 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1jfn n PRO 15 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jfn n THR 16 N 0.00 0.00 -1.79 0.52 -2.24 -1.26 -5.07 114.28 104.44 1jfn n THR 16 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1jfn n THR 16 Cb 0.00 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1jfn n THR 16 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jfn s GLU 17 N -1.15 4.12 -0.83 -0.78 2.12 -1.26 -4.76 118.70 116.17 1jfn s GLU 17 Ca 0.00 2.57 -0.19 0.00 0.36 0.00 0.00 54.97 57.71 1jfn s GLU 17 Cb 0.00 -3.01 -0.20 0.00 0.26 0.00 0.00 34.13 31.17 1jfn s GLU 17 CO 0.00 -0.60 2.18 1.04 -0.54 0.00 0.00 175.26 177.33 1jfn n GLN 18 N 1.83 0.28 -1.39 4.30 3.00 -1.26 -4.87 117.38 119.27 1jfn n GLN 18 Ca 0.07 -0.65 -0.31 0.00 -0.01 0.00 0.00 57.00 56.09 1jfn n GLN 18 Cb 0.38 -2.72 0.08 0.00 0.00 0.00 0.00 30.24 27.98 1jfn n GLN 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jfn s SER 19 N 6.48 4.78 1.09 1.08 0.15 -1.26 -5.04 113.70 120.98 1jfn s SER 19 Ca 0.95 1.70 -0.17 0.00 0.70 0.00 0.00 55.95 59.12 1jfn s SER 19 Cb -0.32 -2.46 0.24 0.00 -1.71 0.00 0.00 66.02 61.77 1jfn s SER 19 CO 0.23 -1.84 1.18 -2.16 1.20 0.00 0.00 173.24 171.84 1jfn s PRO 20 N -4.97 -0.36 0.00 5.44 0.04 -1.26 -4.80 135.00 129.08 1jfn s PRO 20 Ca 0.60 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1jfn s PRO 20 Cb -0.16 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1jfn s PRO 20 CO 0.56 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1jfn n GLY 21 N -1.93 0.88 3.27 0.56 0.00 -1.26 -5.13 105.19 101.58 1jfn n GLY 21 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1jfn n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jfn s VAL 22 N -1.43 1.94 0.00 1.61 -7.23 -1.26 -4.99 120.40 109.04 1jfn s VAL 22 Ca 0.00 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1jfn s VAL 22 Cb 0.00 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1jfn s VAL 22 CO 0.00 0.54 0.00 0.00 -0.31 0.00 0.00 175.10 175.33 1jfn n GLN 23 N 2.71 0.00 -1.62 4.82 1.13 -1.26 -5.06 117.38 118.10 1jfn n GLN 23 Ca -0.17 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.50 1jfn n GLN 23 Cb 0.52 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.83 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1jfn n ASP 24 N 0.00 3.15 -3.78 1.08 5.75 -1.26 -4.80 116.55 116.69 1jfn n ASP 24 Ca 0.00 -2.74 -0.07 0.00 -0.01 0.00 0.00 54.79 51.97 1jfn n ASP 24 Cb 0.00 -1.42 -0.02 0.00 -1.03 0.00 0.00 41.12 38.65 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jfn n TYR 26 N -0.47 -0.68 -3.75 0.00 0.18 0.84 -4.52 117.16 108.76 1jfn n TYR 26 Ca -0.05 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.45 1jfn n TYR 26 Cb 0.59 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.44 1jfn n TYR 26 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1jfn s HIS 27 N -6.76 2.75 0.00 -3.48 5.65 -1.26 -0.12 115.29 112.07 1jfn s HIS 27 Ca 0.00 -2.98 0.00 0.00 0.25 0.00 0.00 55.06 52.33 1jfn s HIS 27 Cb 0.00 -2.17 0.00 0.00 -1.18 0.00 0.00 32.58 29.23 1jfn s HIS 27 CO 0.00 -0.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 1jfn n GLY 28 N 2.42 2.10 0.94 1.59 0.00 -1.26 -4.42 105.19 106.55 1jfn n GLY 28 Ca 0.20 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 2.77 0.48 -0.21 1.61 9.92 -1.26 -4.93 116.55 124.92 1jfn n ASP 29 Ca 0.00 -2.03 -0.02 0.00 -0.53 0.00 0.00 54.79 52.21 1jfn n ASP 29 Cb 0.00 -0.25 -0.01 0.00 -0.64 0.00 0.00 41.12 40.22 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 0.20 0.22 0.25 0.44 0.00 -1.26 -3.84 105.19 101.19 1jfn n GLY 30 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.83 -0.87 1.61 1.08 -1.87 -2.30 115.11 113.59 1jfn h GLN 31 Ca -0.05 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 56.89 1jfn h GLN 31 Cb 0.80 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 1jfn h GLN 31 CO 0.07 0.81 0.07 0.43 -0.95 0.00 0.00 178.83 179.26 1jfn n SER 32 N -4.42 3.09 -4.64 1.46 7.64 -1.26 -4.75 113.62 110.74 1jfn n SER 32 Ca 0.02 -2.46 -0.43 0.00 1.01 0.00 0.00 58.87 57.00 1jfn n SER 32 Cb 0.24 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1jfn n SER 32 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1jfn s TYR 33 N -1.65 1.84 -0.68 1.43 6.14 -0.86 -4.93 117.35 118.62 1jfn s TYR 33 Ca 0.23 0.34 0.05 0.00 0.64 0.00 0.00 57.07 58.33 1jfn s TYR 33 Cb 0.18 -4.00 0.16 0.00 0.42 0.00 0.00 41.96 38.72 1jfn s TYR 33 CO 0.06 -3.63 0.46 1.03 0.64 0.00 0.00 175.55 174.11 1jfn s ARG 34 N 4.76 2.40 0.00 4.97 0.52 -1.26 -4.94 118.95 125.41 1jfn s ARG 34 Ca 0.78 -3.22 0.00 0.00 -0.52 0.00 0.00 55.73 52.77 1jfn s ARG 34 Cb -0.30 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1jfn s ARG 34 CO 0.32 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 174.79 1jfn n GLY 35 N 2.18 2.19 2.54 -3.53 0.00 -1.26 -5.06 105.19 102.25 1jfn n GLY 35 Ca 0.17 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.05 4.20 -3.58 1.61 7.64 -1.26 -4.68 113.62 117.49 1jfn n SER 36 Ca 0.00 -3.57 -0.41 0.00 1.01 0.00 0.00 58.87 55.90 1jfn n SER 36 Cb 0.00 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 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 -0.39 2.79 -0.36 1.43 7.35 -1.26 -4.78 117.46 122.24 1jfn n PHE 37 Ca 0.34 -2.90 -0.03 0.00 -0.76 0.00 0.00 57.45 54.10 1jfn n PHE 37 Cb 0.65 -2.14 -0.04 0.00 0.35 0.00 0.00 39.48 38.31 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 3.42 2.54 -4.62 -2.13 3.41 -1.26 -4.20 113.62 110.78 1jfn n SER 38 Ca 0.59 -1.82 -0.37 0.00 -0.26 0.00 0.00 58.87 57.01 1jfn n SER 38 Cb 0.30 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 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 1.53 5.25 0.60 6.66 2.01 -1.26 -0.18 115.64 130.24 1jfn s THR 39 Ca 0.16 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1jfn s THR 39 Cb 0.07 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1jfn s THR 39 CO 0.00 0.32 1.02 0.42 -0.69 0.00 0.00 174.62 175.69 1jfn s THR 40 N 1.32 4.51 0.57 -0.82 -4.23 -1.03 -1.37 115.64 114.59 1jfn s THR 40 Ca 0.07 0.95 0.29 0.00 -1.18 0.00 0.00 61.69 61.82 1jfn s THR 40 Cb -0.14 -3.73 0.40 0.00 1.34 0.00 0.00 72.50 70.36 1jfn s THR 40 CO 0.07 -0.93 1.93 0.58 -0.54 0.00 0.00 174.62 175.73 1jfn h VAL 41 N 0.06 0.47 -0.01 2.29 2.07 0.34 0.73 116.25 122.20 1jfn h VAL 41 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1jfn h VAL 41 Cb 1.19 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1jfn h VAL 41 CO 0.61 0.00 -0.06 0.41 0.02 0.00 0.00 177.57 178.55 1jfn n THR 42 N -3.93 0.00 -0.23 2.57 -1.04 -1.26 -4.72 114.28 105.67 1jfn n THR 42 Ca 0.10 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1jfn n THR 42 Cb 0.67 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 1.20 0.64 0.00 3.41 0.00 0.25 -5.06 105.19 105.63 1jfn n GLY 43 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 1.41 -3.86 1.61 0.63 -1.25 -4.65 116.66 108.56 1jfn n ARG 44 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1jfn n ARG 44 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1jfn s THR 45 N 0.00 0.31 0.37 5.15 2.01 -1.26 -2.48 115.64 119.74 1jfn s THR 45 Ca 0.00 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 1jfn s THR 45 Cb 0.00 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 71.97 1jfn s THR 45 CO 0.00 0.22 1.36 0.00 -0.69 0.00 0.00 174.62 175.52 1jfn s GLN 47 N -2.05 3.66 0.32 0.00 2.00 0.75 -4.36 119.66 119.97 1jfn s GLN 47 Ca 0.53 0.09 -0.26 0.00 -2.00 0.00 0.00 55.36 53.71 1jfn s GLN 47 Cb -0.41 -2.60 -0.14 0.00 0.80 0.00 0.00 33.01 30.66 1jfn s GLN 47 CO 0.55 0.17 0.87 0.43 -0.50 0.00 0.00 175.29 176.80 1jfn n SER 48 N -1.00 0.59 -0.13 6.67 7.64 -1.26 -4.46 113.62 121.66 1jfn n SER 48 Ca -0.01 1.10 -0.10 0.00 1.01 0.00 0.00 58.87 60.87 1jfn n SER 48 Cb 0.54 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.59 0.71 0.00 1.43 4.06 -1.82 -2.22 115.95 119.70 1jfn h TRP 49 Ca -0.39 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1jfn h TRP 49 Cb 1.36 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1jfn h TRP 49 CO 0.44 0.72 0.00 0.45 -3.56 0.00 0.00 178.44 176.50 1jfn n SER 50 N -4.50 1.35 -4.69 -3.49 2.88 -1.26 -4.82 113.62 99.09 1jfn n SER 50 Ca -0.01 -1.93 -0.42 0.00 -1.33 0.00 0.00 58.87 55.17 1jfn n SER 50 Cb 0.26 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 63.21 1jfn n SER 50 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jfn s SER 51 N 0.17 7.00 -0.12 -3.46 1.04 -0.84 -4.90 113.70 112.60 1jfn s SER 51 Ca 0.00 1.93 0.15 0.00 0.48 0.00 0.00 55.95 58.51 1jfn s SER 51 Cb 0.00 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 64.10 1jfn s SER 51 CO 0.00 -0.60 1.46 0.23 0.98 0.00 0.00 173.24 175.31 1jfn n MET 52 N 5.01 3.28 -0.04 4.02 2.81 -1.26 -4.30 117.12 126.64 1jfn n MET 52 Ca 0.11 -2.67 -0.03 0.00 -1.81 0.00 0.00 57.70 53.30 1jfn n MET 52 Cb 0.46 -1.74 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1jfn n MET 52 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jfn n THR 53 N 0.26 0.66 0.00 2.03 -2.24 -1.26 -4.80 114.28 108.93 1jfn n THR 53 Ca 0.20 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1jfn n THR 53 Cb 0.79 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1jfn n THR 53 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jfn n PRO 54 N -3.35 0.00 -3.15 -0.78 -0.04 -1.26 -4.80 135.00 121.62 1jfn n PRO 54 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 1jfn n PRO 54 Cb 0.17 -0.10 -0.07 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.00 3.28 0.01 0.54 3.76 -1.26 -4.98 115.29 116.63 1jfn s HIS 55 Ca 0.00 0.77 -0.10 0.00 -0.15 0.00 0.00 55.06 55.58 1jfn s HIS 55 Cb 0.00 -2.80 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 1jfn s HIS 55 CO 0.00 -0.31 0.33 -0.46 -0.85 0.00 0.00 174.74 173.45 1jfn s TRP 56 N 2.43 3.63 0.10 1.40 -0.11 -1.26 -4.56 118.94 120.56 1jfn s TRP 56 Ca 0.25 0.75 -0.26 0.00 1.22 0.00 0.00 56.10 58.05 1jfn s TRP 56 Cb -0.16 -2.12 0.08 0.00 -1.50 0.00 0.00 33.47 29.77 1jfn s TRP 56 CO 0.09 0.61 0.98 -3.38 -4.62 0.00 0.00 176.95 170.63 1jfn s HIS 57 N -1.23 -0.16 -0.06 5.86 -3.43 -1.26 -5.06 115.29 109.95 1jfn s HIS 57 Ca 0.26 -0.08 0.17 0.00 -0.80 0.00 0.00 55.06 54.61 1jfn s HIS 57 Cb -0.14 0.61 0.33 0.00 -1.43 0.00 0.00 32.58 31.95 1jfn s HIS 57 CO 0.14 -0.71 1.14 0.00 -2.00 0.00 0.00 174.74 173.31 1jfn n GLN 58 N -0.42 0.45 -2.80 -0.38 10.64 -1.26 -4.86 117.38 118.75 1jfn n GLN 58 Ca -0.07 -2.13 -0.18 0.00 -1.83 0.00 0.00 57.00 52.80 1jfn n GLN 58 Cb 0.61 -0.58 -0.00 0.00 -0.86 0.00 0.00 30.24 29.41 1jfn n GLN 58 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1jfn n ARG 59 N -0.12 1.90 -2.11 2.61 1.85 -1.26 -5.09 116.66 114.45 1jfn n ARG 59 Ca 0.08 -3.79 -0.27 0.00 -1.00 0.00 0.00 57.85 52.87 1jfn n ARG 59 Cb 0.92 -1.72 0.11 0.00 -1.05 0.00 0.00 32.46 30.71 1jfn n ARG 59 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1jfn s THR 60 N -3.66 2.12 -0.88 8.89 -1.32 -1.26 -4.95 115.64 114.58 1jfn s THR 60 Ca 0.38 -0.18 0.27 0.00 -1.21 0.00 0.00 61.69 60.96 1jfn s THR 60 Cb 0.39 -2.95 0.22 0.00 -1.51 0.00 0.00 72.50 68.66 1jfn s THR 60 CO -0.07 0.00 1.78 0.35 -2.21 0.00 0.00 174.62 174.48 1jfn n THR 61 N -3.22 0.24 0.29 5.08 -2.24 -1.26 -2.99 114.28 110.17 1jfn n THR 61 Ca 0.11 -0.12 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1jfn n THR 61 Cb 0.60 -0.44 0.89 0.00 -2.10 0.00 0.00 70.33 69.28 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 4.22 -1.83 0.80 114.58 116.98 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1jfn h GLU 62 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1jfn h GLU 62 CO 0.00 0.02 -0.03 0.66 -2.18 0.00 0.00 179.01 177.48 1jfn n TYR 63 N -3.80 0.00 -4.57 0.92 4.01 -1.16 -4.82 117.16 107.73 1jfn n TYR 63 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 1jfn n TYR 63 Cb 0.11 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.00 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jfn s TYR 64 N -2.06 2.95 -1.36 -0.72 1.51 0.28 -4.97 117.35 112.97 1jfn s TYR 64 Ca 0.37 -0.15 0.19 0.00 -1.01 0.00 0.00 57.07 56.47 1jfn s TYR 64 Cb 0.21 -1.80 0.95 0.00 -0.11 0.00 0.00 41.96 41.21 1jfn s TYR 64 CO 0.36 0.16 1.60 -0.35 -1.11 0.00 0.00 175.55 176.21 1jfn n PRO 65 N 2.77 0.23 -0.00 -1.71 -0.04 -1.26 -2.40 135.00 132.60 1jfn n PRO 65 Ca -0.18 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1jfn n PRO 65 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1jfn n PRO 65 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jfn n ASN 66 N -1.32 0.59 -3.58 3.54 4.05 -1.26 -4.69 115.26 112.59 1jfn n ASN 66 Ca 0.08 -0.54 -0.28 0.00 0.45 0.00 0.00 54.58 54.29 1jfn n ASN 66 Cb 0.17 1.34 -0.12 0.00 1.23 0.00 0.00 39.78 42.40 1jfn n ASN 66 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1jfn s GLY 67 N -3.62 1.59 -0.74 8.20 0.00 -1.01 -4.97 107.32 106.77 1jfn s GLY 67 Ca 0.02 -2.65 -0.07 0.00 0.00 0.00 0.00 44.72 42.02 1jfn s GLY 67 CO 0.88 1.77 3.11 0.61 0.00 0.00 0.00 173.10 179.47 1jfn n GLY 68 N 3.07 3.92 2.70 0.20 0.00 -1.26 -3.04 105.19 110.78 1jfn n GLY 68 Ca 0.19 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1jfn n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jfn n LEU 69 N 2.41 4.03 -4.50 0.99 4.77 -1.26 -4.89 117.00 118.54 1jfn n LEU 69 Ca 0.57 -2.56 -0.37 0.00 -0.03 0.00 0.00 56.01 53.62 1jfn n LEU 69 Cb 0.56 -0.99 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1jfn n LEU 69 CO 0.45 0.25 0.18 0.41 -1.33 0.00 0.00 177.39 177.36 1jfn n THR 70 N 4.41 2.44 -0.80 -5.08 -1.04 -1.26 -4.46 114.28 108.49 1jfn n THR 70 Ca 0.37 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1jfn n THR 70 Cb 0.12 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 1jfn n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jfn n ARG 71 N -0.60 0.00 -0.13 -2.82 1.74 -1.26 -1.66 116.66 111.93 1jfn n ARG 71 Ca 0.12 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.18 1jfn n ARG 71 Cb 0.48 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.95 1jfn n ARG 71 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jfn n ASN 72 N -3.84 2.76 -4.77 0.55 6.94 -1.26 -3.38 115.26 112.26 1jfn n ASN 72 Ca 0.00 -2.17 -0.40 0.00 -0.02 0.00 0.00 54.58 51.99 1jfn n ASN 72 Cb 0.00 -0.54 -0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1jfn n ASN 72 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1jfn s TYR 73 N -0.55 2.71 0.03 -2.53 2.02 -0.66 -4.50 117.35 113.86 1jfn s TYR 73 Ca 0.07 1.30 -0.24 0.00 -0.37 0.00 0.00 57.07 57.82 1jfn s TYR 73 Cb 0.05 -3.85 -0.05 0.00 -0.40 0.00 0.00 41.96 37.71 1jfn s TYR 73 CO 0.01 -2.53 0.75 0.00 -1.57 0.00 0.00 175.55 172.21 1jfn n ARG 75 N 2.91 0.50 -3.59 0.00 3.00 -1.25 -4.68 116.66 113.55 1jfn n ARG 75 Ca -0.03 -3.12 -0.27 0.00 -0.01 0.00 0.00 57.85 54.43 1jfn n ARG 75 Cb 0.50 2.69 -0.10 0.00 0.00 0.00 0.00 32.46 35.55 1jfn n ARG 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1jfn n ASN 76 N -1.68 1.64 0.00 0.55 5.15 -1.26 0.12 115.26 119.78 1jfn n ASN 76 Ca 0.05 -2.90 0.06 0.00 -0.60 0.00 0.00 54.58 51.19 1jfn n ASN 76 Cb 0.59 -0.66 0.37 0.00 -0.53 0.00 0.00 39.78 39.55 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 2.06 0.78 0.00 1.20 -0.04 -1.26 -2.74 135.00 135.00 1jfn n PRO 77 Ca 0.25 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1jfn n PRO 77 Cb 0.42 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1jfn n PRO 77 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jfn n ASP 78 N -0.75 1.13 -1.71 3.54 -0.08 -1.26 -4.97 116.55 112.45 1jfn n ASP 78 Ca 0.09 -1.06 -0.17 0.00 -1.51 0.00 0.00 54.79 52.14 1jfn n ASP 78 Cb 0.04 0.11 -0.06 0.00 2.34 0.00 0.00 41.12 43.55 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfn n ALA 79 N 0.03 -0.36 -1.00 -1.67 0.00 -1.11 -4.94 120.51 111.47 1jfn n ALA 79 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1jfn n ALA 79 Cb 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1jfn n ALA 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jfn n GLU 80 N -2.32 0.30 -0.35 0.00 4.07 -1.26 -4.84 120.64 116.24 1jfn n GLU 80 Ca -0.18 0.00 0.23 0.00 -0.06 0.00 0.00 57.16 57.15 1jfn n GLU 80 Cb 0.59 0.00 0.47 0.00 -0.06 0.00 0.00 31.44 32.44 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 1jfn h ILE 81 N -0.72 0.44 -2.41 6.31 -0.00 -1.92 -3.45 117.51 115.76 1jfn h ILE 81 Ca 0.00 -0.14 0.02 0.00 -0.00 0.00 0.00 64.86 64.74 1jfn h ILE 81 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.82 36.80 1jfn h ILE 81 CO 0.00 0.08 0.22 -1.54 -0.00 0.00 0.00 178.15 176.91 1jfn n SER 82 N -4.82 -1.20 -4.83 2.16 3.41 -1.25 -4.36 113.62 102.73 1jfn n SER 82 Ca 0.28 -1.77 -0.31 0.00 -0.26 0.00 0.00 58.87 56.82 1jfn n SER 82 Cb 0.91 1.99 0.06 0.00 -0.26 0.00 0.00 64.21 66.91 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 -2.04 2.75 0.24 4.33 0.04 -1.26 -4.74 135.00 134.32 1jfn s PRO 83 Ca 0.11 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 1jfn s PRO 83 Cb -0.02 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1jfn s PRO 83 CO 0.05 -1.18 0.67 1.67 0.04 0.00 0.00 177.00 178.25 1jfn s TRP 84 N -3.14 -0.27 -0.02 0.56 1.48 0.33 -1.76 118.94 116.11 1jfn s TRP 84 Ca 0.58 -0.11 -0.31 0.00 -1.06 0.00 0.00 56.10 55.21 1jfn s TRP 84 Cb -0.13 0.64 0.12 0.00 -1.16 0.00 0.00 33.47 32.94 1jfn s TRP 84 CO 0.54 -1.11 1.30 0.00 -4.06 0.00 0.00 176.95 173.63 1jfn s TYR 86 N -2.38 2.33 0.12 0.00 2.02 -1.26 -2.12 117.35 116.07 1jfn s TYR 86 Ca 0.14 1.58 0.04 0.00 -0.37 0.00 0.00 57.07 58.46 1jfn s TYR 86 Cb 0.05 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.26 1jfn s TYR 86 CO -0.04 -2.14 0.14 0.95 -1.57 0.00 0.00 175.55 172.89 1jfn s THR 87 N -2.17 4.70 -0.93 -0.71 -4.23 -1.21 0.26 115.64 111.35 1jfn s THR 87 Ca 0.70 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1jfn s THR 87 Cb -0.25 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1jfn s THR 87 CO 0.43 -0.00 0.94 1.15 -0.54 0.00 0.00 174.62 176.60 1jfn n MET 88 N -0.04 0.00 -3.76 3.99 0.00 0.45 -4.16 117.12 113.60 1jfn n MET 88 Ca -0.08 0.44 -0.35 0.00 0.00 0.00 0.00 57.70 57.71 1jfn n MET 88 Cb 0.53 -1.54 -0.09 0.00 0.00 0.00 0.00 33.22 32.12 1jfn n MET 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1jfn s ASP 89 N -2.88 6.10 0.20 3.17 -1.08 -1.26 -4.90 116.67 116.02 1jfn s ASP 89 Ca 0.00 0.19 0.21 0.00 -0.52 0.00 0.00 52.55 52.42 1jfn s ASP 89 Cb 0.00 -2.07 0.89 0.00 -1.46 0.00 0.00 42.92 40.28 1jfn s ASP 89 CO 0.00 0.16 1.63 -0.81 0.52 0.00 0.00 175.17 176.67 1jfn n PRO 90 N 3.64 0.14 0.04 4.34 -0.04 -1.26 -1.59 135.00 140.28 1jfn n PRO 90 Ca -0.16 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1jfn n PRO 90 Cb 0.52 -1.79 0.46 0.00 -0.04 0.00 0.00 33.50 32.65 1jfn n PRO 90 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jfn n ASN 91 N -2.06 0.42 -3.94 3.54 3.02 -1.26 -4.39 115.26 110.58 1jfn n ASN 91 Ca 0.02 0.42 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 1jfn n ASN 91 Cb 0.19 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jfn s VAL 92 N -3.05 2.61 0.00 2.41 1.01 -0.62 -5.00 120.40 117.76 1jfn s VAL 92 Ca 0.12 -3.43 -0.00 0.00 0.00 0.00 0.00 61.98 58.66 1jfn s VAL 92 Cb 0.16 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1jfn s VAL 92 CO 0.59 -0.83 0.93 0.54 0.00 0.00 0.00 175.10 176.33 1jfn n ARG 93 N 2.97 -0.00 -4.05 2.72 5.12 -1.26 -3.56 116.66 118.60 1jfn n ARG 93 Ca 0.07 0.93 -0.12 0.00 -1.93 0.00 0.00 57.85 56.79 1jfn n ARG 93 Cb 0.32 -1.39 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 1jfn n ARG 93 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 1jfn s TRP 94 N -3.02 0.78 -0.28 -1.55 1.48 -1.26 -3.36 118.94 111.72 1jfn s TRP 94 Ca -0.00 -1.08 -0.27 0.00 -1.06 0.00 0.00 56.10 53.69 1jfn s TRP 94 Cb 0.00 0.03 0.18 0.00 -1.16 0.00 0.00 33.47 32.52 1jfn s TRP 94 CO 0.01 -1.08 1.33 -2.00 -4.06 0.00 0.00 176.95 171.14 1jfn s GLU 95 N -3.41 0.16 1.45 3.25 2.56 -0.90 -4.89 118.70 116.92 1jfn s GLU 95 Ca 0.27 0.12 -0.23 0.00 0.00 0.00 0.00 54.97 55.14 1jfn s GLU 95 Cb -0.00 0.08 0.38 0.00 2.00 0.00 0.00 34.13 36.58 1jfn s GLU 95 CO 0.15 -0.03 0.90 0.71 -0.56 0.00 0.00 175.26 176.43 1jfn s TYR 96 N -0.38 -0.73 0.31 5.30 1.51 -1.26 -2.43 117.35 119.67 1jfn s TYR 96 Ca 0.06 0.62 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 1jfn s TYR 96 Cb -0.03 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1jfn s TYR 96 CO -0.10 -5.13 0.12 0.00 -1.11 0.00 0.00 175.55 169.32 1jfn n ASN 98 N -1.10 1.88 -4.72 0.00 3.02 -0.47 -3.97 115.26 109.90 1jfn n ASN 98 Ca -0.04 -2.46 -0.35 0.00 -0.03 0.00 0.00 54.58 51.70 1jfn n ASN 98 Cb 0.60 -0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.41 3.73 0.10 3.41 2.01 -1.26 -3.87 118.68 123.20 1jfn s LEU 99 Ca 0.50 0.18 -0.14 0.00 0.01 0.00 0.00 54.13 54.69 1jfn s LEU 99 Cb 0.12 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.42 1jfn s LEU 99 CO 0.17 0.36 0.33 0.42 1.01 0.00 0.00 176.35 178.64 1jfn s THR 100 N -0.96 0.09 -0.20 5.49 -4.23 -1.25 -4.88 115.64 109.70 1jfn s THR 100 Ca 0.15 -0.75 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 1jfn s THR 100 Cb -0.12 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 1jfn s THR 100 CO 0.05 -0.42 2.06 -1.10 -0.54 0.00 0.00 174.62 174.67 1jfn s GLN 101 N -3.53 3.37 0.20 3.99 -0.21 -1.26 0.29 119.66 122.51 1jfn s GLN 101 Ca 0.02 1.99 -0.32 0.00 0.02 0.00 0.00 55.36 57.07 1jfn s GLN 101 Cb 0.02 -4.29 -0.15 0.00 1.00 0.00 0.00 33.01 29.59 1jfn s GLN 101 CO -0.10 -1.83 1.14 0.00 -2.12 0.00 0.00 175.29 172.38 1jfn n PRO 103 N 1.55 -0.56 0.00 0.00 -0.04 -1.26 -4.94 135.00 129.75 1jfn n PRO 103 Ca 0.14 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1jfn n PRO 103 Cb 0.27 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 1jfn n PRO 103 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfn n VAL 104 N -2.65 0.08 -1.00 0.52 0.31 -1.26 -4.83 118.33 109.49 1jfn n VAL 104 Ca 0.05 -0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1jfn n VAL 104 Cb 0.18 1.47 -0.05 0.00 -0.91 0.00 0.00 33.84 34.53 1jfn n VAL 104 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1jfn n THR 105 N -0.04 2.82 0.00 2.52 5.66 -1.26 -3.99 114.28 120.00 1jfn n THR 105 Ca 0.00 -1.74 0.00 0.00 -3.05 0.00 0.00 64.05 59.26 1jfn n THR 105 Cb 0.23 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 1jfn n THR 105 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jfn n GLU 106 N 1.28 0.00 -3.19 1.09 0.28 -1.26 -5.08 120.64 113.77 1jfn n GLU 106 Ca 0.32 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.10 1jfn n GLU 106 Cb 0.64 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.46 1jfn n GLU 106 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jfn n SER 107 N 0.00 0.41 -1.00 -1.84 2.88 -1.26 -4.91 113.62 107.90 1jfn n SER 107 Ca 0.00 -2.80 -0.01 0.00 -1.33 0.00 0.00 58.87 54.73 1jfn n SER 107 Cb 0.00 -0.63 0.16 0.00 -0.75 0.00 0.00 64.21 62.98 1jfn n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1jfn n SER 108 N 1.06 2.41 -4.71 -3.46 2.88 -1.26 -5.06 113.62 105.47 1jfn n SER 108 Ca 0.22 -3.76 -0.38 0.00 -1.33 0.00 0.00 58.87 53.62 1jfn n SER 108 Cb 0.57 -0.48 0.05 0.00 -0.75 0.00 0.00 64.21 63.61 1jfn n SER 108 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1jfn n VAL 109 N -0.95 4.24 -3.88 2.46 0.31 -1.26 -4.97 118.33 114.28 1jfn n VAL 109 Ca 0.24 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.78 1jfn n VAL 109 Cb 0.78 -1.50 -0.13 0.00 -0.91 0.00 0.00 33.84 32.08 1jfn n VAL 109 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1jfn s LEU 110 N -3.49 4.22 0.00 7.52 2.96 -1.26 -5.10 118.68 123.54 1jfn s LEU 110 Ca 0.77 -3.33 -0.08 0.00 -0.22 0.00 0.00 54.13 51.27 1jfn s LEU 110 Cb -0.41 -1.52 0.12 0.00 0.50 0.00 0.00 46.19 44.88 1jfn s LEU 110 CO 0.45 -0.17 0.70 0.00 -1.32 0.00 0.00 176.35 176.01 1jfn n ALA 111 N 2.67 -0.78 -3.00 5.97 0.00 -1.26 -5.11 120.51 119.00 1jfn n ALA 111 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1jfn n ALA 111 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1jfn n ALA 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jfn n THR 112 N -2.94 0.00 -2.85 0.00 -2.24 -1.26 -5.14 114.28 99.85 1jfn n THR 112 Ca 0.09 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 1jfn n THR 112 Cb 0.30 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1jfn n THR 112 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jfn s SER 113 N 0.46 7.42 0.01 3.42 1.04 -1.26 -4.96 113.70 119.83 1jfn s SER 113 Ca 0.00 1.78 -0.34 0.00 0.48 0.00 0.00 55.95 57.87 1jfn s SER 113 Cb 0.00 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.44 1jfn s SER 113 CO 0.00 0.08 1.73 1.07 0.98 0.00 0.00 173.24 177.10 1jfn n THR 114 N 1.11 0.31 -0.24 2.02 5.66 -1.26 -4.92 114.28 116.96 1jfn n THR 114 Ca -0.02 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1jfn n THR 114 Cb 0.49 -1.65 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jfn n ALA 115 N 5.08 0.00 -2.41 1.79 0.00 -1.26 -5.16 120.51 118.55 1jfn n ALA 115 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1jfn n ALA 115 Cb 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 1jfn n ALA 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jfn s VAL 116 N 2.28 2.13 0.12 0.00 1.01 -1.26 -5.13 120.40 119.56 1jfn s VAL 116 Ca 0.00 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.16 1jfn s VAL 116 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 1jfn s VAL 116 CO 0.00 0.10 0.55 -0.44 0.00 0.00 0.00 175.10 175.31 1jfn s SER 117 N -1.92 6.90 -0.31 3.32 0.01 -1.26 -5.06 113.70 115.39 1jfn s SER 117 Ca 0.12 1.13 -0.03 0.00 1.31 0.00 0.00 55.95 58.48 1jfn s SER 117 Cb -0.10 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 63.86 1jfn s SER 117 CO 0.05 0.16 0.02 -0.70 0.41 0.00 0.00 173.24 173.18 1jfn s GLU 118 N -1.68 2.53 0.00 12.44 -6.30 -1.26 -5.37 118.70 119.06 1jfn s GLU 118 Ca 0.35 -1.21 0.09 0.00 -2.50 0.00 0.00 54.97 51.70 1jfn s GLU 118 Cb -0.16 -3.24 0.07 0.00 0.00 0.00 0.00 34.13 30.79 1jfn s GLU 118 CO 0.19 -0.61 0.78 0.94 0.02 0.00 0.00 175.26 176.58