#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfn n ARG 2 N 0.00 2.58 -2.87 0.00 1.85 -1.26 -4.86 116.66 112.10 1jfn n ARG 2 Ca 0.00 -4.52 -0.12 0.00 -1.00 0.00 0.00 57.85 52.21 1jfn n ARG 2 Cb 0.00 -2.11 0.05 0.00 -1.05 0.00 0.00 32.46 29.35 1jfn n ARG 2 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1jfn n ILE 3 N 0.26 -0.03 -2.56 8.89 3.06 -1.26 -5.07 119.36 122.65 1jfn n ILE 3 Ca 0.29 -2.52 -0.02 0.00 -2.50 0.00 0.00 62.75 58.00 1jfn n ILE 3 Cb 0.44 0.89 -0.02 0.00 0.54 0.00 0.00 39.64 41.49 1jfn n ILE 3 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1jfn n HIS 4 N 0.27 -3.03 -2.85 9.51 -0.00 -1.26 -4.77 115.22 113.10 1jfn n HIS 4 Ca 0.12 1.78 -0.43 0.00 -0.00 0.00 0.00 57.72 59.18 1jfn n HIS 4 Cb 0.70 -2.89 -0.01 0.00 -0.00 0.00 0.00 29.99 27.79 1jfn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1jfn s HIS 5 N -0.42 3.16 -0.10 1.57 2.46 -1.26 -4.92 115.29 115.78 1jfn s HIS 5 Ca -0.12 -1.67 -0.04 0.00 0.47 0.00 0.00 55.06 53.71 1jfn s HIS 5 Cb 0.01 -4.41 0.05 0.00 -0.13 0.00 0.00 32.58 28.10 1jfn s HIS 5 CO 0.32 -1.55 0.21 -1.58 -2.47 0.00 0.00 174.74 169.67 1jfn s HIS 6 N 2.71 -0.29 0.46 3.88 5.04 -1.26 -5.13 115.29 120.70 1jfn s HIS 6 Ca 0.41 0.77 -0.24 0.00 -1.54 0.00 0.00 55.06 54.46 1jfn s HIS 6 Cb -0.02 -0.16 -0.08 0.00 0.04 0.00 0.00 32.58 32.36 1jfn s HIS 6 CO -0.03 -0.31 1.34 1.58 -2.34 0.00 0.00 174.74 174.98 1jfn n HIS 7 N 5.33 2.34 -0.24 3.88 -0.00 -1.26 -4.86 115.22 120.40 1jfn n HIS 7 Ca -0.05 0.46 0.08 0.00 0.46 0.00 0.00 57.72 58.67 1jfn n HIS 7 Cb 0.50 -2.40 0.34 0.00 -0.12 0.00 0.00 29.99 28.31 1jfn n HIS 7 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1jfn h HIS 8 N 1.98 0.83 -2.29 1.57 3.86 -2.00 -3.43 115.15 115.67 1jfn h HIS 8 Ca -0.50 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1jfn h HIS 8 Cb 1.29 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1jfn h HIS 8 CO 0.48 0.39 0.00 1.58 0.86 0.00 0.00 177.93 181.24 1jfn n HIS 9 N -4.51 0.00 -4.04 2.45 -0.00 -1.26 -5.13 115.22 102.73 1jfn n HIS 9 Ca 0.14 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.07 1jfn n HIS 9 Cb 0.31 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.14 1jfn n HIS 9 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1jfn s ILE 10 N 1.84 4.79 -0.07 3.57 2.07 -1.26 -5.11 121.20 127.02 1jfn s ILE 10 Ca 0.00 -1.03 0.01 0.00 -1.41 0.00 0.00 60.65 58.22 1jfn s ILE 10 Cb 0.00 -3.50 0.02 0.00 0.13 0.00 0.00 42.46 39.11 1jfn s ILE 10 CO 0.00 -0.18 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.06 1jfn s GLU 11 N -3.39 1.41 0.00 3.50 -6.30 -1.26 -5.12 118.70 107.55 1jfn s GLU 11 Ca 0.33 -0.29 0.00 0.00 -2.50 0.00 0.00 54.97 52.51 1jfn s GLU 11 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 34.13 32.75 1jfn s GLU 11 CO 0.26 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1jfn n GLY 12 N 4.14 5.55 3.27 -1.50 0.00 -1.26 -5.07 105.19 110.32 1jfn n GLY 12 Ca -0.21 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1jfn n GLY 12 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jfn s ARG 13 N 3.65 3.92 -0.37 1.61 3.03 -1.26 -4.90 118.95 124.63 1jfn s ARG 13 Ca 0.00 -3.25 0.04 0.00 2.03 0.00 0.00 55.73 54.55 1jfn s ARG 13 Cb 0.00 -4.37 0.16 0.00 -1.03 0.00 0.00 34.95 29.71 1jfn s ARG 13 CO 0.00 -1.25 0.46 0.00 -1.13 0.00 0.00 175.30 173.38 1jfn s ALA 14 N -1.31 -1.12 -1.15 7.88 0.00 -1.26 -5.06 121.76 119.73 1jfn s ALA 14 Ca 0.30 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 1jfn s ALA 14 Cb -0.09 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 1jfn s ALA 14 CO -0.09 -2.11 1.91 -0.35 0.00 0.00 0.00 175.76 175.11 1jfn n PRO 15 N 4.45 2.01 -0.15 0.00 -0.04 -1.26 -4.34 135.00 135.67 1jfn n PRO 15 Ca 0.10 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 1jfn n PRO 15 Cb 0.49 -3.50 0.01 0.00 -0.04 0.00 0.00 33.50 30.45 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 7.00 0.16 -1.63 0.52 -2.24 -1.26 -5.08 114.28 111.75 1jfn n THR 16 Ca 0.47 -0.17 -0.61 0.00 -2.27 0.00 0.00 64.05 61.46 1jfn n THR 16 Cb 0.45 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.10 0.51 -1.56 -0.78 0.28 -1.26 -4.69 120.64 113.05 1jfn n GLU 17 Ca 0.01 0.18 -0.13 0.00 -0.16 0.00 0.00 57.16 57.05 1jfn n GLU 17 Cb 0.54 -1.80 -0.10 0.00 1.43 0.00 0.00 31.44 31.51 1jfn n GLU 17 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jfn n GLN 18 N 5.44 0.29 -3.16 3.44 6.02 -1.26 -4.88 117.38 123.27 1jfn n GLN 18 Ca 0.34 -1.26 -0.39 0.00 -0.01 0.00 0.00 57.00 55.67 1jfn n GLN 18 Cb 0.04 -3.72 -0.06 0.00 1.02 0.00 0.00 30.24 27.52 1jfn n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jfn s SER 19 N 9.25 6.75 0.00 1.08 1.04 -1.26 -5.01 113.70 125.54 1jfn s SER 19 Ca 0.86 0.90 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1jfn s SER 19 Cb -0.10 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1jfn s SER 19 CO 0.14 -0.16 0.09 -0.81 0.98 0.00 0.00 173.24 173.49 1jfn n PRO 20 N 4.37 0.00 0.00 4.02 -0.04 -1.26 -5.09 135.00 137.00 1jfn n PRO 20 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1jfn n PRO 20 Cb 0.51 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 1.74 1.34 2.72 0.55 0.00 -1.26 -5.07 105.19 105.20 1jfn n GLY 21 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1jfn n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfn s VAL 22 N 0.00 1.95 -0.41 1.61 1.01 -1.26 -4.98 120.40 118.31 1jfn s VAL 22 Ca 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 61.98 58.29 1jfn s VAL 22 Cb 0.00 -2.30 -0.12 0.00 0.00 0.00 0.00 36.38 33.96 1jfn s VAL 22 CO 0.00 -1.08 2.35 0.00 0.00 0.00 0.00 175.10 176.37 1jfn n GLN 23 N 2.35 1.67 -1.90 2.72 6.02 -1.26 -4.83 117.38 122.15 1jfn n GLN 23 Ca 0.23 -1.00 -0.24 0.00 -0.01 0.00 0.00 57.00 55.98 1jfn n GLN 23 Cb 0.39 -2.09 -0.05 0.00 1.02 0.00 0.00 30.24 29.51 1jfn n GLN 23 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jfn s ASP 24 N 2.73 4.77 0.07 1.08 -4.77 -1.25 -4.84 116.67 114.46 1jfn s ASP 24 Ca 0.42 -0.38 -0.26 0.00 -3.30 0.00 0.00 52.55 49.03 1jfn s ASP 24 Cb 0.16 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.51 1jfn s ASP 24 CO -0.02 -3.06 0.67 0.00 0.70 0.00 0.00 175.17 173.47 1jfn s TYR 26 N -2.86 0.02 -0.10 0.00 -0.85 0.90 -4.26 117.35 110.20 1jfn s TYR 26 Ca -0.02 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 55.95 1jfn s TYR 26 Cb -0.01 0.78 0.02 0.00 0.38 0.00 0.00 41.96 43.13 1jfn s TYR 26 CO -0.06 -1.39 -0.13 -1.58 -1.52 0.00 0.00 175.55 170.87 1jfn s HIS 27 N -2.79 1.74 0.00 -3.49 5.65 -1.26 0.29 115.29 115.43 1jfn s HIS 27 Ca 0.15 -0.77 0.00 0.00 0.25 0.00 0.00 55.06 54.68 1jfn s HIS 27 Cb -0.05 -1.28 0.00 0.00 -1.18 0.00 0.00 32.58 30.07 1jfn s HIS 27 CO 0.09 -0.42 0.00 0.41 -0.65 0.00 0.00 174.74 174.17 1jfn n GLY 28 N 4.19 0.24 0.18 1.59 0.00 -1.26 0.23 105.19 110.35 1jfn n GLY 28 Ca -0.19 0.69 0.08 0.00 0.00 0.00 0.00 46.02 46.60 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 1.85 2.00 0.00 1.61 9.92 -1.26 -4.85 116.55 125.82 1jfn n ASP 29 Ca 0.00 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 1jfn n ASP 29 Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 -1.22 0.07 0.32 0.44 0.00 0.14 -3.67 105.19 101.27 1jfn n GLY 30 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.38 1jfn n GLY 30 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jfn h GLN 31 N 0.19 0.00 -0.64 1.61 5.75 -1.86 0.78 115.11 120.95 1jfn h GLN 31 Ca 0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 1jfn h GLN 31 Cb 0.34 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.78 1jfn h GLN 31 CO 0.00 0.00 0.20 0.45 -2.65 0.00 0.00 178.83 176.83 1jfn n SER 32 N -3.01 4.48 -4.79 -0.69 2.88 -1.26 -4.87 113.62 106.36 1jfn n SER 32 Ca -0.03 -3.26 -0.35 0.00 -1.33 0.00 0.00 58.87 53.90 1jfn n SER 32 Cb 0.08 -0.71 -0.05 0.00 -0.75 0.00 0.00 64.21 62.78 1jfn n SER 32 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1jfn s TYR 33 N -3.00 3.27 0.54 0.66 5.04 0.27 -4.90 117.35 119.23 1jfn s TYR 33 Ca 0.53 1.64 0.31 0.00 -2.44 0.00 0.00 57.07 57.11 1jfn s TYR 33 Cb 0.43 -3.03 1.48 0.00 0.35 0.00 0.00 41.96 41.19 1jfn s TYR 33 CO 0.12 -0.44 1.88 -0.09 -1.34 0.00 0.00 175.55 175.67 1jfn h ARG 34 N 2.25 0.00 -2.64 4.97 2.43 -1.94 -3.46 114.38 116.00 1jfn h ARG 34 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1jfn h ARG 34 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1jfn h ARG 34 CO 0.62 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.49 1jfn n GLY 35 N -1.69 0.79 0.66 2.80 0.00 -1.26 -4.66 105.19 101.82 1jfn n GLY 35 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1jfn n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfn n SER 36 N -1.27 -0.13 -4.33 1.61 2.88 -1.21 -4.13 113.62 107.04 1jfn n SER 36 Ca 0.00 -1.44 -0.44 0.00 -1.33 0.00 0.00 58.87 55.67 1jfn n SER 36 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1jfn n SER 36 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1jfn n PHE 37 N 0.03 4.54 0.22 0.66 7.35 -1.25 -4.65 117.46 124.35 1jfn n PHE 37 Ca -0.05 -3.27 0.02 0.00 -0.76 0.00 0.00 57.45 53.39 1jfn n PHE 37 Cb 0.62 -2.09 0.10 0.00 0.35 0.00 0.00 39.48 38.45 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 5.00 0.00 -4.64 -2.13 3.41 -1.26 -3.45 113.62 110.55 1jfn n SER 38 Ca 0.36 -0.12 -0.37 0.00 -0.26 0.00 0.00 58.87 58.49 1jfn n SER 38 Cb 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.00 5.34 0.70 6.66 2.01 -1.26 -0.28 115.64 126.81 1jfn s THR 39 Ca 0.05 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1jfn s THR 39 Cb 0.02 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 69.07 1jfn s THR 39 CO 0.04 0.32 1.03 0.42 -0.69 0.00 0.00 174.62 175.73 1jfn s THR 40 N 1.26 2.64 0.38 -0.82 -4.23 -1.18 -3.38 115.64 110.31 1jfn s THR 40 Ca 0.08 -0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1jfn s THR 40 Cb -0.14 -3.14 0.36 0.00 1.34 0.00 0.00 72.50 70.91 1jfn s THR 40 CO 0.06 -0.16 1.82 0.58 -0.54 0.00 0.00 174.62 176.38 1jfn h VAL 41 N -0.60 0.67 0.00 2.29 2.07 0.34 0.81 116.25 121.83 1jfn h VAL 41 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1jfn h VAL 41 Cb 1.30 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1jfn h VAL 41 CO 0.62 0.10 0.00 0.41 0.02 0.00 0.00 177.57 178.71 1jfn n THR 42 N -4.61 0.26 -0.66 2.57 -1.04 -1.26 -4.78 114.28 104.76 1jfn n THR 42 Ca 0.22 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1jfn n THR 42 Cb 0.69 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.88 0.76 0.00 3.41 0.00 0.28 -5.04 105.19 105.48 1jfn n GLY 43 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.29 -0.50 -4.00 1.61 3.00 -1.26 -4.68 116.66 108.54 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 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 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 -0.88 4.54 0.33 5.15 2.01 -1.26 -3.09 115.64 122.45 1jfn s THR 45 Ca 0.00 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1jfn s THR 45 Cb 0.00 -3.06 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 1jfn s THR 45 CO 0.00 0.43 1.34 0.00 -0.69 0.00 0.00 174.62 175.70 1jfn s GLN 47 N -1.76 4.23 0.42 0.00 2.00 -0.08 -4.08 119.66 120.39 1jfn s GLN 47 Ca 0.50 0.56 -0.21 0.00 -2.00 0.00 0.00 55.36 54.20 1jfn s GLN 47 Cb -0.41 -3.34 -0.14 0.00 0.80 0.00 0.00 33.01 29.92 1jfn s GLN 47 CO 0.54 0.38 0.32 0.45 -0.50 0.00 0.00 175.29 176.48 1jfn n SER 48 N 2.82 -1.87 -0.16 6.67 2.88 -1.26 -4.35 113.62 118.35 1jfn n SER 48 Ca -0.09 0.85 -0.08 0.00 -1.33 0.00 0.00 58.87 58.22 1jfn n SER 48 Cb 0.51 -1.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.04 1jfn n SER 48 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1jfn h TRP 49 N 0.52 1.04 0.00 0.66 4.06 -1.59 -2.01 115.95 118.64 1jfn h TRP 49 Ca -0.39 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.38 1jfn h TRP 49 Cb 1.42 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1jfn h TRP 49 CO 0.32 0.95 0.00 0.45 -3.56 0.00 0.00 178.44 176.61 1jfn n SER 50 N -4.17 0.74 -4.65 -3.49 2.88 -1.26 -4.57 113.62 99.09 1jfn n SER 50 Ca 0.02 -1.90 -0.43 0.00 -1.33 0.00 0.00 58.87 55.23 1jfn n SER 50 Cb 0.36 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.27 6.67 -0.17 -3.46 1.04 -0.76 -4.86 113.70 111.90 1jfn s SER 51 Ca 0.00 1.94 0.17 0.00 0.48 0.00 0.00 55.95 58.54 1jfn s SER 51 Cb 0.00 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.01 1jfn s SER 51 CO 0.00 -0.96 1.31 0.23 0.98 0.00 0.00 173.24 174.79 1jfn n MET 52 N 7.12 2.13 -0.04 4.02 2.81 -1.26 -4.38 117.12 127.53 1jfn n MET 52 Ca 0.17 -2.78 -0.04 0.00 -1.81 0.00 0.00 57.70 53.24 1jfn n MET 52 Cb 0.44 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 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 -0.96 0.67 0.00 2.03 -2.24 -1.26 -4.76 114.28 107.76 1jfn n THR 53 Ca 0.20 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 1jfn n THR 53 Cb 0.79 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 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 -3.38 0.00 -3.00 -0.78 -0.04 -1.26 -4.71 135.00 121.83 1jfn n PRO 54 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1jfn n PRO 54 Cb 0.23 -0.07 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 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 2.88 0.14 0.54 3.76 -1.26 -5.03 115.29 116.33 1jfn s HIS 55 Ca 0.00 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.11 1jfn s HIS 55 Cb 0.00 -3.94 -0.07 0.00 1.11 0.00 0.00 32.58 29.68 1jfn s HIS 55 CO 0.00 -1.31 1.01 -0.46 -0.85 0.00 0.00 174.74 173.13 1jfn s TRP 56 N 3.31 3.74 0.38 1.40 -0.11 -1.26 -4.76 118.94 121.65 1jfn s TRP 56 Ca 0.20 1.73 0.05 0.00 1.22 0.00 0.00 56.10 59.30 1jfn s TRP 56 Cb -0.18 -3.13 -0.02 0.00 -1.50 0.00 0.00 33.47 28.63 1jfn s TRP 56 CO 0.12 -0.08 0.20 -3.38 -4.62 0.00 0.00 176.95 169.19 1jfn s HIS 57 N -0.15 1.77 -0.12 5.86 -3.43 -1.26 -5.07 115.29 112.89 1jfn s HIS 57 Ca 0.48 -1.46 0.16 0.00 -0.80 0.00 0.00 55.06 53.43 1jfn s HIS 57 Cb -0.26 -0.97 0.37 0.00 -1.43 0.00 0.00 32.58 30.29 1jfn s HIS 57 CO 0.32 -0.56 1.17 0.94 -2.00 0.00 0.00 174.74 174.62 1jfn n GLN 58 N -0.81 0.91 -0.92 -0.38 7.27 -1.26 -4.74 117.38 117.45 1jfn n GLN 58 Ca -0.01 -2.59 0.03 0.00 0.07 0.00 0.00 57.00 54.50 1jfn n GLN 58 Cb 0.64 -1.01 0.16 0.00 2.41 0.00 0.00 30.24 32.44 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1jfn n ARG 59 N -0.57 1.51 -0.41 3.69 1.74 -1.26 -4.97 116.66 116.39 1jfn n ARG 59 Ca 0.13 -3.17 -0.13 0.00 -0.77 0.00 0.00 57.85 53.90 1jfn n ARG 59 Cb 0.82 -1.41 0.13 0.00 -1.02 0.00 0.00 32.46 30.98 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1jfn n THR 60 N -0.80 0.00 0.70 0.55 5.66 -1.26 -4.76 114.28 114.37 1jfn n THR 60 Ca 0.19 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.31 1jfn n THR 60 Cb 0.79 -0.43 0.48 0.00 -1.55 0.00 0.00 70.33 69.62 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 -4.17 0.50 0.26 1.09 -2.24 -1.26 -2.50 114.28 105.97 1jfn n THR 61 Ca 0.06 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1jfn n THR 61 Cb 0.26 -0.73 0.73 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.00 -0.78 4.81 -1.99 0.41 114.58 117.02 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jfn h GLU 62 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1jfn h GLU 62 CO 0.00 0.10 -0.23 0.66 -0.73 0.00 0.00 179.01 178.81 1jfn n TYR 63 N -3.80 0.00 -3.74 0.92 4.01 -1.04 -4.61 117.16 108.90 1jfn n TYR 63 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1jfn n TYR 63 Cb 0.20 -0.31 -0.16 0.00 -0.31 0.00 0.00 39.34 38.77 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 -2.84 1.46 -0.52 -0.72 2.02 0.14 -4.97 117.35 111.93 1jfn s TYR 64 Ca 0.17 -1.39 0.25 0.00 -0.37 0.00 0.00 57.07 55.73 1jfn s TYR 64 Cb 0.19 -1.42 0.95 0.00 -0.40 0.00 0.00 41.96 41.28 1jfn s TYR 64 CO 0.58 -0.77 1.74 -0.35 -1.57 0.00 0.00 175.55 175.18 1jfn n PRO 65 N 4.92 0.22 -2.38 -1.71 -0.04 -1.25 -3.27 135.00 131.49 1jfn n PRO 65 Ca -0.06 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.64 1jfn n PRO 65 Cb 0.44 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.29 3.50 -0.03 3.54 3.02 -1.26 -4.84 115.26 116.90 1jfn n ASN 66 Ca 0.03 -3.04 -0.14 0.00 -0.03 0.00 0.00 54.58 51.40 1jfn n ASN 66 Cb 0.28 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 1jfn n ASN 66 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jfn h GLY 67 N 2.39 0.17 0.00 7.41 0.00 -1.89 -3.47 103.07 107.68 1jfn h GLY 67 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1jfn h GLY 67 CO 0.53 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1jfn n GLY 68 N 0.81 0.98 2.90 4.60 0.00 -1.26 -4.95 105.19 108.27 1jfn n GLY 68 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 4.88 -4.83 0.99 -0.00 -1.26 -4.30 117.00 112.48 1jfn n LEU 69 Ca 0.00 -5.24 -0.32 0.00 -0.00 0.00 0.00 56.01 50.45 1jfn n LEU 69 Cb 0.00 -1.06 -0.01 0.00 -0.00 0.00 0.00 43.42 42.36 1jfn n LEU 69 CO 0.00 1.73 0.70 -0.89 -0.00 0.00 0.00 177.39 178.93 1jfn s THR 70 N -2.14 4.29 0.00 1.47 2.01 -1.26 -4.50 115.64 115.51 1jfn s THR 70 Ca 0.32 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.34 1jfn s THR 70 Cb 0.03 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1jfn s THR 70 CO -0.02 -0.71 0.00 -1.14 -0.69 0.00 0.00 174.62 172.06 1jfn n ARG 71 N -2.02 0.00 -0.14 4.92 0.63 -1.26 -0.72 116.66 118.07 1jfn n ARG 71 Ca 0.07 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.03 1jfn n ARG 71 Cb 0.54 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.54 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 0.31 1.41 -4.56 6.15 6.94 -1.26 -1.49 115.26 122.75 1jfn n ASN 72 Ca 0.00 -2.08 -0.46 0.00 -0.02 0.00 0.00 54.58 52.02 1jfn n ASN 72 Cb 0.00 -0.27 -0.02 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 0.08 1.05 -3.45 -2.53 4.02 0.10 -4.44 117.16 112.00 1jfn n TYR 73 Ca 0.06 0.73 -0.38 0.00 -0.01 0.00 0.00 57.90 58.31 1jfn n TYR 73 Cb 0.27 -2.22 -0.06 0.00 -0.02 0.00 0.00 39.34 37.31 1jfn n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfn n ARG 75 N 2.12 0.22 -3.73 0.00 1.74 -0.83 -3.31 116.66 112.87 1jfn n ARG 75 Ca -0.13 -0.63 -0.30 0.00 -0.77 0.00 0.00 57.85 56.02 1jfn n ARG 75 Cb 0.52 0.68 -0.13 0.00 -1.02 0.00 0.00 32.46 32.50 1jfn n ARG 75 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jfn s ASN 76 N -1.53 3.75 0.00 0.55 2.47 -1.26 0.11 114.94 119.03 1jfn s ASN 76 Ca 0.06 -2.51 0.14 0.00 0.42 0.00 0.00 52.86 50.97 1jfn s ASN 76 Cb -0.01 -1.06 0.86 0.00 -1.45 0.00 0.00 41.25 39.60 1jfn s ASN 76 CO 0.04 -0.29 1.37 -0.81 -3.72 0.00 0.00 177.10 173.69 1jfn n PRO 77 N 3.70 0.73 -0.04 0.43 -0.04 -1.26 -2.99 135.00 135.52 1jfn n PRO 77 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1jfn n PRO 77 Cb 0.35 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.81 0.46 -3.08 3.54 -0.08 -1.26 -5.00 116.55 110.32 1jfn n ASP 78 Ca 0.11 -1.33 -0.22 0.00 -1.51 0.00 0.00 54.79 51.83 1jfn n ASP 78 Cb 0.05 -0.03 0.02 0.00 2.34 0.00 0.00 41.12 43.50 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 -0.14 -0.99 -1.11 -1.67 0.00 -1.16 -4.96 120.51 110.49 1jfn n ALA 79 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1jfn n ALA 79 Cb 0.47 -3.42 0.24 0.00 0.00 0.00 0.00 19.45 16.74 1jfn n ALA 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jfn s GLU 80 N -5.75 -1.30 0.33 0.00 2.12 -1.26 -4.83 118.70 108.00 1jfn s GLU 80 Ca 0.31 -0.14 0.11 0.00 0.36 0.00 0.00 54.97 55.61 1jfn s GLU 80 Cb -0.15 -1.59 1.02 0.00 0.26 0.00 0.00 34.13 33.67 1jfn s GLU 80 CO 0.39 -3.75 1.61 0.97 -0.54 0.00 0.00 175.26 173.93 1jfn h ILE 81 N -2.61 0.14 -3.63 -3.70 -0.00 -1.91 -3.41 117.51 102.39 1jfn h ILE 81 Ca -0.44 -0.04 -0.06 0.00 -0.00 0.00 0.00 64.86 64.32 1jfn h ILE 81 Cb 1.29 0.01 -0.11 0.00 -0.00 0.00 0.00 36.82 38.01 1jfn h ILE 81 CO 0.32 0.02 -0.14 -0.94 -0.00 0.00 0.00 178.15 177.41 1jfn s SER 82 N -4.84 -0.10 0.58 2.19 1.04 -1.24 -4.03 113.70 107.30 1jfn s SER 82 Ca -0.11 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 1jfn s SER 82 Cb 0.30 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 1jfn s SER 82 CO 0.78 -1.03 1.08 -2.16 0.98 0.00 0.00 173.24 172.88 1jfn s PRO 83 N -3.96 3.31 0.00 4.02 0.04 -1.25 -4.82 135.00 132.34 1jfn s PRO 83 Ca 0.17 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1jfn s PRO 83 Cb 0.01 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1jfn s PRO 83 CO 0.03 -0.83 0.00 -2.67 0.04 0.00 0.00 177.00 173.56 1jfn n TRP 84 N -1.79 -0.03 0.00 0.56 4.27 0.31 -2.18 117.44 118.59 1jfn n TRP 84 Ca 0.10 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 1jfn n TRP 84 Cb 0.52 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1jfn n TRP 84 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfn s TYR 86 N -2.00 2.06 -0.12 0.00 2.02 -1.26 -0.66 117.35 117.39 1jfn s TYR 86 Ca 0.00 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1jfn s TYR 86 Cb 0.00 -3.36 -0.02 0.00 -0.40 0.00 0.00 41.96 38.18 1jfn s TYR 86 CO 0.00 -2.82 -0.09 0.95 -1.57 0.00 0.00 175.55 172.02 1jfn s THR 87 N -3.12 3.48 -1.42 -0.71 -4.23 -1.25 -0.90 115.64 107.49 1jfn s THR 87 Ca 0.66 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1jfn s THR 87 Cb -0.16 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1jfn s THR 87 CO 0.56 0.53 0.82 0.80 -0.54 0.00 0.00 174.62 176.79 1jfn n MET 88 N 3.21 0.01 -4.18 3.99 1.56 0.51 -4.22 117.12 118.00 1jfn n MET 88 Ca -0.18 0.28 -0.35 0.00 -0.27 0.00 0.00 57.70 57.18 1jfn n MET 88 Cb 0.53 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.31 1jfn n MET 88 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1jfn s ASP 89 N -2.58 5.58 0.00 6.12 1.01 -1.26 -4.94 116.67 120.60 1jfn s ASP 89 Ca 0.01 0.20 0.16 0.00 0.71 0.00 0.00 52.55 53.62 1jfn s ASP 89 Cb 0.00 -1.73 0.83 0.00 1.01 0.00 0.00 42.92 43.03 1jfn s ASP 89 CO 0.01 0.34 1.41 -0.81 0.21 0.00 0.00 175.17 176.33 1jfn n PRO 90 N 2.44 0.31 0.01 8.23 -0.04 -1.26 -1.91 135.00 142.77 1jfn n PRO 90 Ca -0.18 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1jfn n PRO 90 Cb 0.54 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.20 0.50 -4.13 3.54 3.02 -1.26 -4.80 115.26 110.94 1jfn n ASN 91 Ca 0.09 -0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.25 1jfn n ASN 91 Cb 0.10 0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.04 1.67 -0.09 2.41 1.01 -0.80 -5.03 120.40 116.53 1jfn s VAL 92 Ca 0.10 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1jfn s VAL 92 Cb 0.17 -1.47 -0.22 0.00 0.00 0.00 0.00 36.38 34.85 1jfn s VAL 92 CO 0.69 0.47 0.93 -0.09 0.00 0.00 0.00 175.10 177.10 1jfn h ARG 93 N 6.91 -0.02 -2.98 2.72 2.43 -1.87 -3.37 114.38 118.20 1jfn h ARG 93 Ca -0.25 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1jfn h ARG 93 Cb 1.21 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.70 1jfn h ARG 93 CO 0.48 0.71 0.23 1.67 -1.51 0.00 0.00 179.97 181.55 1jfn s TRP 94 N -3.03 -0.27 -0.25 2.20 1.48 -1.26 -3.74 118.94 114.07 1jfn s TRP 94 Ca -0.17 -0.13 -0.26 0.00 -1.06 0.00 0.00 56.10 54.49 1jfn s TRP 94 Cb -0.01 0.67 0.11 0.00 -1.16 0.00 0.00 33.47 33.08 1jfn s TRP 94 CO 0.64 -1.14 0.95 -1.21 -4.06 0.00 0.00 176.95 172.14 1jfn s GLU 95 N -3.86 0.61 1.26 3.25 0.41 0.16 -4.86 118.70 115.67 1jfn s GLU 95 Ca 0.09 0.60 -0.16 0.00 -0.41 0.00 0.00 54.97 55.08 1jfn s GLU 95 Cb -0.05 0.29 0.32 0.00 -1.78 0.00 0.00 34.13 32.91 1jfn s GLU 95 CO 0.02 -0.10 0.99 0.71 -0.49 0.00 0.00 175.26 176.40 1jfn s TYR 96 N 0.02 0.66 0.52 1.61 2.02 -1.26 -2.06 117.35 118.86 1jfn s TYR 96 Ca 0.01 0.92 0.04 0.00 -0.37 0.00 0.00 57.07 57.68 1jfn s TYR 96 Cb -0.04 -3.04 0.01 0.00 -0.40 0.00 0.00 41.96 38.49 1jfn s TYR 96 CO -0.03 -4.28 0.26 0.00 -1.57 0.00 0.00 175.55 169.93 1jfn n ASN 98 N -1.56 5.97 -4.75 0.00 3.02 -1.22 -3.95 115.26 112.78 1jfn n ASN 98 Ca -0.07 -3.03 -0.36 0.00 -0.03 0.00 0.00 54.58 51.09 1jfn n ASN 98 Cb 0.65 -1.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.26 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 -0.28 3.96 0.23 3.41 2.01 -1.26 -3.87 118.68 122.87 1jfn s LEU 99 Ca 0.47 0.25 0.07 0.00 0.01 0.00 0.00 54.13 54.93 1jfn s LEU 99 Cb 0.13 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.34 1jfn s LEU 99 CO -0.04 0.34 0.15 0.42 1.01 0.00 0.00 176.35 178.23 1jfn s THR 100 N -0.61 4.30 -0.56 5.49 -4.23 -0.98 -4.65 115.64 114.40 1jfn s THR 100 Ca 0.11 -1.40 -0.26 0.00 -1.18 0.00 0.00 61.69 58.96 1jfn s THR 100 Cb -0.12 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1jfn s THR 100 CO 0.02 -0.29 2.15 -1.58 -0.54 0.00 0.00 174.62 174.38 1jfn s GLN 101 N -3.63 2.33 -0.90 3.99 0.74 -1.26 0.31 119.66 121.24 1jfn s GLN 101 Ca 0.32 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.72 1jfn s GLN 101 Cb -0.08 -4.51 0.28 0.00 1.10 0.00 0.00 33.01 29.80 1jfn s GLN 101 CO 0.24 -3.06 1.18 0.00 -0.55 0.00 0.00 175.29 173.09 1jfn n PRO 103 N 1.14 1.85 0.00 0.00 -0.04 -1.24 -4.41 135.00 132.30 1jfn n PRO 103 Ca 0.28 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1jfn n PRO 103 Cb 0.36 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.22 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 7.35 0.15 -0.50 0.52 0.31 -1.26 -4.69 118.33 120.21 1jfn n VAL 104 Ca 0.46 -0.41 -0.02 0.00 -0.01 0.00 0.00 64.34 64.36 1jfn n VAL 104 Cb 0.46 1.18 0.26 0.00 -0.91 0.00 0.00 33.84 34.82 1jfn n VAL 104 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1jfn n THR 105 N -0.08 2.25 -1.48 2.52 -1.04 -1.26 -4.99 114.28 110.21 1jfn n THR 105 Ca 0.00 -1.17 -0.51 0.00 -2.04 0.00 0.00 64.05 60.33 1jfn n THR 105 Cb 0.14 -0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 1jfn n THR 105 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1jfn n GLU 106 N 0.12 0.30 0.00 -2.82 4.07 -1.26 -4.92 120.64 116.13 1jfn n GLU 106 Ca 0.28 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1jfn n GLU 106 Cb 1.09 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 31.09 1jfn n GLU 106 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1jfn n SER 107 N 1.80 0.00 -4.92 4.31 7.64 -1.26 -4.86 113.62 116.33 1jfn n SER 107 Ca 0.18 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.86 1jfn n SER 107 Cb 0.20 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 1jfn n SER 107 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jfn s SER 108 N -1.72 6.38 -0.03 6.43 0.15 -1.26 -5.11 113.70 118.54 1jfn s SER 108 Ca 0.00 0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.81 1jfn s SER 108 Cb 0.00 -1.97 0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1jfn s SER 108 CO 0.00 0.08 0.33 0.54 1.20 0.00 0.00 173.24 175.40 1jfn s VAL 109 N -1.66 0.05 0.00 4.45 0.11 -1.26 -5.09 120.40 116.99 1jfn s VAL 109 Ca 0.36 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1jfn s VAL 109 Cb -0.12 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1jfn s VAL 109 CO 0.28 -0.21 0.00 0.18 -3.33 0.00 0.00 175.10 172.02 1jfn n LEU 110 N 1.49 0.00 0.00 2.54 4.77 -1.26 -5.13 117.00 119.41 1jfn n LEU 110 Ca -0.20 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1jfn n LEU 110 Cb 0.56 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1jfn n LEU 110 CO 0.21 -0.04 0.01 0.00 -1.33 0.00 0.00 177.39 176.24 1jfn n ALA 111 N -1.12 -0.14 -1.71 -1.18 0.00 -1.26 -4.98 120.51 110.12 1jfn n ALA 111 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1jfn n ALA 111 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.51 1jfn n ALA 111 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jfn s THR 112 N -1.04 3.35 0.95 0.00 -1.32 -1.26 -5.00 115.64 111.33 1jfn s THR 112 Ca 0.02 0.44 -0.13 0.00 -1.21 0.00 0.00 61.69 60.81 1jfn s THR 112 Cb -0.00 -3.30 0.04 0.00 -1.51 0.00 0.00 72.50 67.72 1jfn s THR 112 CO 0.02 -0.57 0.39 -1.20 -2.21 0.00 0.00 174.62 171.04 1jfn n SER 113 N -3.21 -2.13 -3.66 8.08 7.64 -1.26 -5.02 113.62 114.07 1jfn n SER 113 Ca 0.07 0.32 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 1jfn n SER 113 Cb 0.56 -1.20 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 1jfn n SER 113 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jfn s THR 114 N -2.39 -0.52 0.00 0.44 2.01 -1.26 -5.11 115.64 108.81 1jfn s THR 114 Ca 0.57 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1jfn s THR 114 Cb -0.21 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1jfn s THR 114 CO 0.68 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.64 1jfn n ALA 115 N 5.03 0.00 -3.97 7.40 0.00 -1.26 -5.00 120.51 122.70 1jfn n ALA 115 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1jfn n ALA 115 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1jfn n ALA 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jfn s VAL 116 N 0.00 1.65 -0.25 0.00 -7.23 -1.26 -5.10 120.40 108.22 1jfn s VAL 116 Ca 0.00 -1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1jfn s VAL 116 Cb 0.00 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1jfn s VAL 116 CO 0.00 -0.01 0.60 -0.44 -0.31 0.00 0.00 175.10 174.94 1jfn s SER 117 N 1.35 6.56 0.47 4.85 0.01 -1.26 -4.93 113.70 120.75 1jfn s SER 117 Ca -0.05 0.68 0.23 0.00 1.31 0.00 0.00 55.95 58.12 1jfn s SER 117 Cb -0.18 -2.33 1.25 0.00 0.21 0.00 0.00 66.02 64.97 1jfn s SER 117 CO -0.07 -0.34 1.88 -0.33 0.41 0.00 0.00 173.24 174.79 1jfn h GLU 118 N 7.87 0.22 0.00 12.44 5.08 -2.07 -3.56 114.58 134.56 1jfn h GLU 118 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1jfn h GLU 118 Cb 1.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1jfn h GLU 118 CO 0.76 0.15 0.00 0.94 -1.00 0.00 0.00 179.01 179.86