#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfn h ARG 2 N 0.00 -0.22 0.00 0.00 -0.00 -2.06 -3.40 114.38 108.69 1jfn h ARG 2 Ca 0.00 0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.43 1jfn h ARG 2 Cb 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 29.97 29.88 1jfn h ARG 2 CO 0.00 0.14 -0.62 0.44 0.00 0.00 0.00 179.97 179.93 1jfn n ILE 3 N -4.92 0.80 -0.08 2.04 -5.35 -1.26 -4.86 119.36 105.73 1jfn n ILE 3 Ca -0.07 -1.46 -0.11 0.00 -0.27 0.00 0.00 62.75 60.84 1jfn n ILE 3 Cb 0.23 0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 38.48 1jfn n ILE 3 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 1jfn h HIS 4 N 0.60 0.00 -2.76 4.28 2.76 -2.05 -3.48 115.15 114.50 1jfn h HIS 4 Ca -0.08 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.69 1jfn h HIS 4 Cb 1.43 0.00 0.21 0.00 1.55 0.00 0.00 27.41 30.60 1jfn h HIS 4 CO 0.26 0.61 -0.32 1.58 -1.30 0.00 0.00 177.93 178.77 1jfn n HIS 5 N -4.55 -2.22 -1.40 5.26 -0.00 -1.26 -4.76 115.22 106.28 1jfn n HIS 5 Ca -0.17 -0.29 0.00 0.00 0.46 0.00 0.00 57.72 57.72 1jfn n HIS 5 Cb 0.42 -1.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.77 1jfn n HIS 5 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1jfn n HIS 6 N -5.10 -3.66 -2.16 1.57 -0.00 -1.26 -4.80 115.22 99.81 1jfn n HIS 6 Ca 0.05 1.91 -0.42 0.00 -0.00 0.00 0.00 57.72 59.26 1jfn n HIS 6 Cb 0.55 -3.15 -0.03 0.00 -0.00 0.00 0.00 29.99 27.36 1jfn n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1jfn s HIS 7 N -1.93 3.18 0.00 1.57 0.00 -1.26 -4.87 115.29 111.97 1jfn s HIS 7 Ca 0.00 0.91 0.00 0.00 -3.00 0.00 0.00 55.06 52.97 1jfn s HIS 7 Cb 0.00 -3.69 0.00 0.00 -4.00 0.00 0.00 32.58 24.89 1jfn s HIS 7 CO 0.00 -2.46 0.93 1.58 -1.00 0.00 0.00 174.74 173.79 1jfn n HIS 8 N 4.14 0.00 -1.86 0.38 -0.00 -1.26 -4.87 115.22 111.75 1jfn n HIS 8 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.79 1jfn n HIS 8 Cb 0.42 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.99 30.34 1jfn n HIS 8 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jfn n HIS 9 N 0.00 -0.02 0.00 1.57 -0.00 -1.26 -5.06 115.22 110.45 1jfn n HIS 9 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.72 57.36 1jfn n HIS 9 Cb 0.67 0.44 0.00 0.00 -0.00 0.00 0.00 29.99 31.10 1jfn n HIS 9 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1jfn n ILE 10 N -0.01 0.00 0.00 3.57 -0.00 -1.26 -5.09 119.36 116.56 1jfn n ILE 10 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1jfn n ILE 10 Cb 0.57 -0.35 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 1jfn n ILE 10 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1jfn n GLU 11 N -0.80 0.00 -2.85 0.38 -0.58 -1.26 -5.17 120.64 110.36 1jfn n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1jfn n GLU 11 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1jfn n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jfn n GLY 12 N 3.78 -0.47 2.32 0.62 0.00 -1.26 -5.10 105.19 105.09 1jfn n GLY 12 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 1jfn n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jfn n ARG 13 N 0.00 1.08 -4.23 1.61 1.85 -1.26 -5.12 116.66 110.59 1jfn n ARG 13 Ca 0.00 -2.20 -0.13 0.00 -1.00 0.00 0.00 57.85 54.52 1jfn n ARG 13 Cb 0.00 0.38 -0.10 0.00 -1.05 0.00 0.00 32.46 31.69 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jfn s ALA 14 N -2.51 1.30 0.00 2.89 0.00 -1.26 -5.12 121.76 117.07 1jfn s ALA 14 Ca 0.12 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1jfn s ALA 14 Cb -0.01 1.21 0.00 0.00 0.00 0.00 0.00 23.12 24.32 1jfn s ALA 14 CO 0.07 -0.53 0.06 -0.35 0.00 0.00 0.00 175.76 175.01 1jfn n PRO 15 N -0.31 0.00 0.00 0.00 -0.04 -1.26 -4.96 135.00 128.43 1jfn n PRO 15 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jfn n PRO 15 Cb 0.66 -0.35 -0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1jfn n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jfn n THR 16 N -0.17 0.01 -1.63 0.52 -1.04 -1.26 -4.94 114.28 105.77 1jfn n THR 16 Ca 0.00 0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 1jfn n THR 16 Cb 0.00 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 1jfn n THR 16 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1jfn s GLU 17 N -1.01 3.01 0.08 -2.82 2.56 -1.26 -4.79 118.70 114.47 1jfn s GLU 17 Ca -0.00 1.91 0.23 0.00 0.00 0.00 0.00 54.97 57.11 1jfn s GLU 17 Cb 0.00 -4.39 0.03 0.00 2.00 0.00 0.00 34.13 31.77 1jfn s GLU 17 CO 0.00 -2.24 1.01 0.00 -0.56 0.00 0.00 175.26 173.46 1jfn n GLN 18 N 8.78 0.38 -2.23 4.30 10.64 -1.26 -4.92 117.38 133.07 1jfn n GLN 18 Ca 0.30 0.01 -0.37 0.00 -1.83 0.00 0.00 57.00 55.11 1jfn n GLN 18 Cb 0.46 -1.64 -0.01 0.00 -0.86 0.00 0.00 30.24 28.20 1jfn n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1jfn s SER 19 N -4.27 6.09 1.15 2.61 1.04 -1.26 -5.02 113.70 114.03 1jfn s SER 19 Ca 0.02 2.32 -0.16 0.00 0.48 0.00 0.00 55.95 58.61 1jfn s SER 19 Cb 0.13 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.88 1jfn s SER 19 CO 0.80 -0.98 0.95 -0.81 0.98 0.00 0.00 173.24 174.19 1jfn n PRO 20 N -0.58 -2.32 -1.39 4.02 -0.04 -1.26 -4.95 135.00 128.48 1jfn n PRO 20 Ca 0.08 -1.51 -0.34 0.00 -0.04 0.00 0.00 63.50 61.69 1jfn n PRO 20 Cb 0.48 -1.29 0.08 0.00 -0.04 0.00 0.00 33.50 32.72 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 -3.15 5.91 3.04 0.55 0.00 -1.26 -4.91 105.19 105.36 1jfn n GLY 21 Ca 0.13 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.79 -0.02 -0.48 1.61 0.11 -1.26 -5.10 120.40 110.47 1jfn s VAL 22 Ca 0.64 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.83 1jfn s VAL 22 Cb 0.50 -0.30 0.18 0.00 -1.53 0.00 0.00 36.38 35.23 1jfn s VAL 22 CO -0.00 0.03 0.62 0.00 -3.33 0.00 0.00 175.10 172.42 1jfn s GLN 23 N 0.68 0.99 0.00 1.54 -2.07 -1.26 -5.11 119.66 114.44 1jfn s GLN 23 Ca -0.05 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.28 1jfn s GLN 23 Cb -0.06 -0.37 0.00 0.00 -1.09 0.00 0.00 33.01 31.49 1jfn s GLN 23 CO -0.04 -1.32 0.00 -3.47 -1.32 0.00 0.00 175.29 169.14 1jfn n ASP 24 N 3.12 -1.34 -0.41 12.60 2.03 -0.51 -4.92 116.55 127.11 1jfn n ASP 24 Ca 0.20 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1jfn n ASP 24 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfn n TYR 26 N 0.00 0.00 -1.38 0.00 4.01 0.06 -4.48 117.16 115.37 1jfn n TYR 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1jfn n TYR 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1jfn n TYR 26 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1jfn n HIS 27 N 0.00 0.00 0.00 -0.72 8.25 -1.26 -3.00 115.22 118.49 1jfn n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jfn n HIS 27 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1jfn n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jfn n GLY 28 N 0.00 -1.41 2.52 -1.41 0.00 -1.26 -4.66 105.19 98.96 1jfn n GLY 28 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 3.01 0.00 1.61 8.00 -1.26 -4.81 116.55 123.10 1jfn n ASP 29 Ca 0.00 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.54 1jfn n ASP 29 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1jfn n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfn n GLY 30 N -0.47 2.41 0.14 0.44 0.00 -1.25 -4.04 105.19 102.42 1jfn n GLY 30 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1jfn n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jfn n GLN 31 N -1.99 0.74 0.00 1.61 6.02 -1.26 -2.98 117.38 119.52 1jfn n GLN 31 Ca 0.00 0.26 0.15 0.00 -0.01 0.00 0.00 57.00 57.40 1jfn n GLN 31 Cb 0.00 -1.69 0.83 0.00 1.02 0.00 0.00 30.24 30.41 1jfn n GLN 31 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1jfn n SER 32 N -3.48 0.05 -4.63 1.08 7.64 -1.26 -4.80 113.62 108.22 1jfn n SER 32 Ca -0.34 -0.58 -0.42 0.00 1.01 0.00 0.00 58.87 58.54 1jfn n SER 32 Cb 1.03 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 64.07 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 -2.30 1.41 -0.41 1.43 5.04 -1.25 -4.52 117.35 116.76 1jfn s TYR 33 Ca 0.38 0.08 -0.09 0.00 -2.44 0.00 0.00 57.07 54.99 1jfn s TYR 33 Cb 0.21 -4.08 0.07 0.00 0.35 0.00 0.00 41.96 38.51 1jfn s TYR 33 CO 0.42 -4.55 0.24 1.03 -1.34 0.00 0.00 175.55 171.35 1jfn s ARG 34 N 5.11 2.63 0.00 4.97 0.52 -1.26 -4.98 118.95 125.94 1jfn s ARG 34 Ca 0.89 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1jfn s ARG 34 Cb -0.36 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.36 1jfn s ARG 34 CO 0.37 -0.90 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1jfn n GLY 35 N 4.92 -0.15 2.30 -3.53 0.00 -1.26 -5.02 105.19 102.45 1jfn n GLY 35 Ca -0.10 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 1jfn n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfn n SER 36 N 0.00 0.29 -3.71 1.61 3.41 -1.26 -4.89 113.62 109.07 1jfn n SER 36 Ca 0.00 -3.11 -0.42 0.00 -0.26 0.00 0.00 58.87 55.08 1jfn n SER 36 Cb 0.00 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1jfn n SER 36 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1jfn n PHE 37 N 0.27 2.84 -0.34 7.33 7.35 -1.26 -4.78 117.46 128.88 1jfn n PHE 37 Ca 0.21 -2.83 -0.03 0.00 -0.76 0.00 0.00 57.45 54.04 1jfn n PHE 37 Cb 0.67 -1.99 -0.04 0.00 0.35 0.00 0.00 39.48 38.47 1jfn n PHE 37 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jfn n SER 38 N 3.40 2.24 -4.53 -2.13 2.88 -1.26 -4.22 113.62 109.99 1jfn n SER 38 Ca 0.49 -1.79 -0.34 0.00 -1.33 0.00 0.00 58.87 55.91 1jfn n SER 38 Cb 0.32 -0.55 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1jfn n SER 38 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1jfn s THR 39 N 1.76 3.86 0.41 2.46 2.01 -1.26 -1.04 115.64 123.84 1jfn s THR 39 Ca 0.17 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 1jfn s THR 39 Cb 0.08 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1jfn s THR 39 CO 0.00 0.53 0.70 0.42 -0.69 0.00 0.00 174.62 175.58 1jfn s THR 40 N -0.06 4.95 0.25 -0.82 -4.23 0.30 -2.79 115.64 113.24 1jfn s THR 40 Ca 0.01 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1jfn s THR 40 Cb -0.13 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.18 1jfn s THR 40 CO 0.03 -0.66 1.63 0.58 -0.54 0.00 0.00 174.62 175.66 1jfn h VAL 41 N 0.64 0.31 0.00 2.29 2.07 0.42 1.58 116.25 123.56 1jfn h VAL 41 Ca -0.48 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1jfn h VAL 41 Cb 1.20 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jfn h VAL 41 CO 0.63 0.02 0.00 0.41 0.02 0.00 0.00 177.57 178.65 1jfn n THR 42 N -5.36 1.19 0.00 2.57 -1.04 -1.26 -4.76 114.28 105.61 1jfn n THR 42 Ca 0.14 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 62.86 1jfn n THR 42 Cb 0.50 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 -1.33 0.34 0.00 3.41 0.00 0.54 -5.08 105.19 103.08 1jfn n GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.71 -0.19 -4.61 1.61 0.63 -1.24 -4.57 116.66 106.59 1jfn n ARG 44 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1jfn n ARG 44 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 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 -0.68 1.86 0.67 5.15 2.01 -1.26 -0.54 115.64 122.85 1jfn s THR 45 Ca 0.00 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 1jfn s THR 45 Cb 0.00 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1jfn s THR 45 CO 0.00 0.18 1.05 0.00 -0.69 0.00 0.00 174.62 175.16 1jfn s GLN 47 N -4.91 3.96 0.32 0.00 2.00 -0.65 -3.86 119.66 116.53 1jfn s GLN 47 Ca 0.58 0.45 -0.25 0.00 -2.00 0.00 0.00 55.36 54.14 1jfn s GLN 47 Cb -0.14 -3.08 -0.15 0.00 0.80 0.00 0.00 33.01 30.45 1jfn s GLN 47 CO 0.52 0.58 0.59 0.43 -0.50 0.00 0.00 175.29 176.92 1jfn n SER 48 N 1.28 -0.72 0.22 6.67 7.64 -1.26 -4.41 113.62 123.03 1jfn n SER 48 Ca -0.09 1.02 0.05 0.00 1.01 0.00 0.00 58.87 60.86 1jfn n SER 48 Cb 0.52 -1.08 0.48 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.07 0.00 0.00 1.43 4.06 -1.68 -1.23 115.95 119.61 1jfn h TRP 49 Ca -0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1jfn h TRP 49 Cb 1.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.56 1jfn h TRP 49 CO 0.40 0.22 0.00 0.45 -3.56 0.00 0.00 178.44 175.94 1jfn n SER 50 N -4.24 0.48 -4.71 -3.49 2.88 -1.26 -4.33 113.62 98.94 1jfn n SER 50 Ca -0.02 -1.83 -0.42 0.00 -1.33 0.00 0.00 58.87 55.27 1jfn n SER 50 Cb 0.28 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.56 6.83 0.00 -3.46 1.04 -0.47 -4.87 113.70 112.21 1jfn s SER 51 Ca 0.00 2.31 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1jfn s SER 51 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1jfn s SER 51 CO 0.00 -0.66 0.41 0.23 0.98 0.00 0.00 173.24 174.20 1jfn n MET 52 N 4.05 -0.29 -0.03 4.02 0.00 -1.26 -2.78 117.12 120.84 1jfn n MET 52 Ca 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 57.70 57.34 1jfn n MET 52 Cb 0.42 -0.83 -0.01 0.00 0.00 0.00 0.00 33.22 32.80 1jfn n MET 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1jfn n THR 53 N -0.05 0.61 0.00 2.03 -2.24 -1.26 -4.51 114.28 108.86 1jfn n THR 53 Ca 0.00 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1jfn n THR 53 Cb 0.12 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 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 -3.27 0.00 -3.34 -0.78 -0.04 -1.26 -4.63 135.00 121.68 1jfn n PRO 54 Ca -0.03 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.97 1jfn n PRO 54 Cb 0.12 -0.14 -0.01 0.00 -0.04 0.00 0.00 33.50 33.44 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 4.14 0.28 0.54 3.76 -1.26 -5.03 115.29 117.71 1jfn s HIS 55 Ca 0.00 -2.50 -0.29 0.00 -0.15 0.00 0.00 55.06 52.12 1jfn s HIS 55 Cb 0.00 -3.83 -0.14 0.00 1.11 0.00 0.00 32.58 29.72 1jfn s HIS 55 CO 0.00 -0.96 1.10 1.87 -0.85 0.00 0.00 174.74 175.90 1jfn n TRP 56 N 3.05 1.48 -4.24 1.40 -0.00 -1.25 -4.75 117.44 113.14 1jfn n TRP 56 Ca 0.21 0.66 -0.10 0.00 -0.00 0.00 0.00 57.50 58.27 1jfn n TRP 56 Cb 0.41 -2.29 -0.02 0.00 -0.00 0.00 0.00 31.31 29.41 1jfn n TRP 56 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1jfn n HIS 57 N 0.56 0.36 -2.25 5.87 1.44 -1.12 -5.00 115.22 115.10 1jfn n HIS 57 Ca 0.10 -0.79 -0.04 0.00 -2.01 0.00 0.00 57.72 54.98 1jfn n HIS 57 Cb 0.31 -0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.34 1jfn n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jfn n GLN 58 N -0.40 0.52 -1.11 -1.40 0.00 -1.26 -4.95 117.38 108.79 1jfn n GLN 58 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 57.00 56.02 1jfn n GLN 58 Cb 0.20 0.44 0.02 0.00 0.00 0.00 0.00 30.24 30.90 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1jfn n ARG 59 N -0.59 0.06 -0.54 2.61 1.74 -1.26 -4.96 116.66 113.71 1jfn n ARG 59 Ca -0.20 -1.69 -0.12 0.00 -0.77 0.00 0.00 57.85 55.06 1jfn n ARG 59 Cb 0.72 -0.24 0.12 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.26 0.00 0.32 0.55 5.66 -1.26 -4.61 114.28 115.20 1jfn n THR 60 Ca 0.04 -0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.13 1jfn n THR 60 Cb 0.97 -0.40 0.37 0.00 -1.55 0.00 0.00 70.33 69.73 1jfn n THR 60 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jfn n THR 61 N -4.15 1.10 0.19 1.09 5.66 -1.26 -1.51 114.28 115.41 1jfn n THR 61 Ca 0.06 0.37 0.04 0.00 -3.05 0.00 0.00 64.05 61.47 1jfn n THR 61 Cb 0.24 -1.27 0.46 0.00 -1.55 0.00 0.00 70.33 68.22 1jfn n THR 61 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1jfn h GLU 62 N 0.00 0.06 -0.00 1.09 4.57 -1.97 0.20 114.58 118.53 1jfn h GLU 62 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jfn h GLU 62 Cb 0.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1jfn h GLU 62 CO 0.00 0.25 -0.02 0.66 -1.18 0.00 0.00 179.01 178.72 1jfn n TYR 63 N -4.29 0.00 -4.97 0.92 4.01 -0.57 -4.72 117.16 107.54 1jfn n TYR 63 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1jfn n TYR 63 Cb 0.26 -0.35 -0.16 0.00 -0.31 0.00 0.00 39.34 38.78 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 -2.71 2.00 -1.69 -0.72 2.02 0.69 -4.99 117.35 111.95 1jfn s TYR 64 Ca 0.24 -0.66 0.18 0.00 -0.37 0.00 0.00 57.07 56.46 1jfn s TYR 64 Cb 0.20 -1.35 0.99 0.00 -0.40 0.00 0.00 41.96 41.40 1jfn s TYR 64 CO 0.49 -0.24 1.52 -0.35 -1.57 0.00 0.00 175.55 175.39 1jfn n PRO 65 N 3.27 0.40 -2.70 -1.71 -0.04 -1.26 -3.58 135.00 129.37 1jfn n PRO 65 Ca -0.19 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 1jfn n PRO 65 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.16 -1.71 -0.03 3.54 2.85 -1.26 -5.01 115.26 112.47 1jfn n ASN 66 Ca 0.11 -2.49 -0.00 0.00 -0.11 0.00 0.00 54.58 52.08 1jfn n ASN 66 Cb 0.11 0.94 -0.00 0.00 1.24 0.00 0.00 39.78 42.07 1jfn n ASN 66 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1jfn h GLY 67 N 2.08 0.00 0.00 8.20 0.00 -1.78 -3.48 103.07 108.09 1jfn h GLY 67 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1jfn h GLY 67 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1jfn n GLY 68 N 1.86 0.69 2.43 4.60 0.00 -1.26 -4.94 105.19 108.56 1jfn n GLY 68 Ca -0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 6.23 -4.72 0.99 4.77 -1.26 -4.90 117.00 118.10 1jfn n LEU 69 Ca 0.00 -3.39 -0.42 0.00 -0.03 0.00 0.00 56.01 52.17 1jfn n LEU 69 Cb 0.00 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 1jfn n LEU 69 CO 0.00 1.25 1.11 -0.89 -1.33 0.00 0.00 177.39 177.52 1jfn s THR 70 N 2.66 3.09 0.00 -5.08 2.01 -1.26 -4.58 115.64 112.48 1jfn s THR 70 Ca 0.52 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1jfn s THR 70 Cb 0.15 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1jfn s THR 70 CO -0.04 0.07 0.00 -1.14 -0.69 0.00 0.00 174.62 172.82 1jfn n ARG 71 N 3.86 0.00 -0.43 4.92 0.63 -1.26 -1.27 116.66 123.11 1jfn n ARG 71 Ca 0.12 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.09 1jfn n ARG 71 Cb 0.41 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.53 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 1.92 3.27 -3.46 6.15 2.04 -1.26 -1.98 115.26 121.94 1jfn n ASN 72 Ca 0.00 -2.39 -0.45 0.00 -0.44 0.00 0.00 54.58 51.29 1jfn n ASN 72 Cb 0.00 -0.53 -0.06 0.00 -2.53 0.00 0.00 39.78 36.66 1jfn n ASN 72 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1jfn n TYR 73 N 0.42 0.48 -2.49 -2.53 4.02 -0.39 -4.57 117.16 112.10 1jfn n TYR 73 Ca 0.15 0.81 -0.43 0.00 -0.01 0.00 0.00 57.90 58.43 1jfn n TYR 73 Cb 0.67 -1.61 -0.02 0.00 -0.02 0.00 0.00 39.34 38.36 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 6.14 0.00 -2.91 0.00 5.12 -1.26 -4.69 116.66 119.06 1jfn n ARG 75 Ca 0.13 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 1jfn n ARG 75 Cb 0.46 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.79 1jfn n ARG 75 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1jfn n ASN 76 N 0.00 -1.28 -1.46 0.55 5.15 -1.16 -3.74 115.26 113.32 1jfn n ASN 76 Ca 0.00 -3.33 -0.07 0.00 -0.60 0.00 0.00 54.58 50.59 1jfn n ASN 76 Cb 0.00 0.92 0.03 0.00 -0.53 0.00 0.00 39.78 40.20 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 0.69 1.33 -0.19 1.20 -0.04 -1.26 -3.70 135.00 133.03 1jfn n PRO 77 Ca 0.14 -0.72 0.02 0.00 -0.04 0.00 0.00 63.50 62.90 1jfn n PRO 77 Cb 0.66 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.49 0.91 0.00 3.54 2.03 -1.26 -4.97 116.55 117.29 1jfn n ASP 78 Ca 0.14 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1jfn n ASP 78 Cb 0.67 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfn n ALA 79 N -0.43 0.00 -1.41 -1.67 0.00 -1.24 -4.98 120.51 110.78 1jfn n ALA 79 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1jfn n ALA 79 Cb 0.56 -0.51 0.17 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.57 0.50 0.06 0.00 2.12 -1.26 -4.93 118.70 114.61 1jfn s GLU 80 Ca 0.00 0.21 -0.14 0.00 0.36 0.00 0.00 54.97 55.41 1jfn s GLU 80 Cb 0.00 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 1jfn s GLU 80 CO 0.00 -2.62 1.23 0.97 -0.54 0.00 0.00 175.26 174.30 1jfn h ILE 81 N -1.80 0.00 0.00 -3.70 2.10 -1.94 -3.46 117.51 108.71 1jfn h ILE 81 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1jfn h ILE 81 Cb 1.32 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1jfn h ILE 81 CO 0.54 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.37 1jfn n SER 82 N -3.92 0.00 -4.56 2.19 2.88 -1.26 -3.83 113.62 105.11 1jfn n SER 82 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1jfn n SER 82 Cb 0.12 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jfn s PRO 83 N 0.00 2.59 -0.28 -1.46 0.04 -1.26 -4.03 135.00 130.59 1jfn s PRO 83 Ca 0.00 -0.47 -0.15 0.00 0.04 0.00 0.00 61.00 60.42 1jfn s PRO 83 Cb 0.00 -5.10 0.10 0.00 0.04 0.00 0.00 34.50 29.53 1jfn s PRO 83 CO 0.00 -3.44 0.71 1.67 0.04 0.00 0.00 177.00 175.98 1jfn s TRP 84 N 10.05 -1.08 -0.18 0.56 1.48 -1.25 -3.07 118.94 125.45 1jfn s TRP 84 Ca 0.69 2.09 -0.28 0.00 -1.06 0.00 0.00 56.10 57.54 1jfn s TRP 84 Cb -0.05 0.65 0.08 0.00 -1.16 0.00 0.00 33.47 32.98 1jfn s TRP 84 CO 0.01 -0.53 0.78 0.00 -4.06 0.00 0.00 176.95 173.15 1jfn n TYR 86 N 1.80 -2.47 -5.19 0.00 4.01 -1.26 -1.44 117.16 112.61 1jfn n TYR 86 Ca -0.15 -0.15 -0.32 0.00 -0.16 0.00 0.00 57.90 57.12 1jfn n TYR 86 Cb 0.56 -1.41 -0.15 0.00 -0.31 0.00 0.00 39.34 38.03 1jfn n TYR 86 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1jfn s THR 87 N -2.11 2.31 -1.93 -0.72 -4.23 -1.24 -1.63 115.64 106.09 1jfn s THR 87 Ca 0.46 -1.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1jfn s THR 87 Cb -0.09 -1.84 0.20 0.00 1.34 0.00 0.00 72.50 72.12 1jfn s THR 87 CO 0.44 0.58 0.93 0.80 -0.54 0.00 0.00 174.62 176.83 1jfn n MET 88 N 2.53 0.22 -5.08 3.99 1.56 -0.66 -3.96 117.12 115.73 1jfn n MET 88 Ca -0.17 0.03 -0.32 0.00 -0.27 0.00 0.00 57.70 56.97 1jfn n MET 88 Cb 0.51 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.24 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 -2.07 3.59 0.00 6.12 1.11 -1.26 -4.94 116.67 119.21 1jfn s ASP 89 Ca 0.11 -0.32 0.18 0.00 0.18 0.00 0.00 52.55 52.70 1jfn s ASP 89 Cb 0.05 -0.62 1.04 0.00 1.07 0.00 0.00 42.92 44.46 1jfn s ASP 89 CO 0.09 0.33 1.49 -0.81 1.18 0.00 0.00 175.17 177.45 1jfn n PRO 90 N 2.36 0.50 0.01 8.23 -0.04 -1.26 -2.11 135.00 142.68 1jfn n PRO 90 Ca -0.17 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1jfn n PRO 90 Cb 0.52 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.06 0.53 -4.07 3.54 3.02 -1.26 -4.81 115.26 111.16 1jfn n ASN 91 Ca 0.12 -0.22 -0.27 0.00 -0.03 0.00 0.00 54.58 54.18 1jfn n ASN 91 Cb 0.08 0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 39.36 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 -3.03 1.40 -0.02 2.41 1.01 -0.90 -5.03 120.40 116.25 1jfn s VAL 92 Ca 0.10 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1jfn s VAL 92 Cb 0.17 -1.27 -0.18 0.00 0.00 0.00 0.00 36.38 35.10 1jfn s VAL 92 CO 0.71 0.42 1.12 -0.09 0.00 0.00 0.00 175.10 177.26 1jfn h ARG 93 N 7.08 -0.19 -2.95 2.72 9.65 -1.87 -3.38 114.38 125.44 1jfn h ARG 93 Ca -0.29 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.66 1jfn h ARG 93 Cb 1.19 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.74 1jfn h ARG 93 CO 0.48 0.22 0.24 1.67 2.80 0.00 0.00 179.97 185.38 1jfn s TRP 94 N -4.09 -0.29 0.01 2.20 1.48 -1.26 -3.61 118.94 113.37 1jfn s TRP 94 Ca -0.14 -0.08 -0.22 0.00 -1.06 0.00 0.00 56.10 54.60 1jfn s TRP 94 Cb 0.01 0.66 0.05 0.00 -1.16 0.00 0.00 33.47 33.03 1jfn s TRP 94 CO 0.57 -1.09 0.49 -1.21 -4.06 0.00 0.00 176.95 171.65 1jfn s GLU 95 N -3.82 0.93 0.71 3.25 2.02 -0.52 -4.87 118.70 116.40 1jfn s GLU 95 Ca 0.08 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.85 1jfn s GLU 95 Cb -0.04 0.43 0.01 0.00 0.10 0.00 0.00 34.13 34.63 1jfn s GLU 95 CO 0.00 -0.30 1.06 0.71 0.02 0.00 0.00 175.26 176.75 1jfn s TYR 96 N -1.84 3.12 0.36 1.61 1.51 -1.26 -1.39 117.35 119.46 1jfn s TYR 96 Ca -0.09 1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 57.31 1jfn s TYR 96 Cb -0.02 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 1jfn s TYR 96 CO 0.03 -1.27 0.58 0.00 -1.11 0.00 0.00 175.55 173.78 1jfn n ASN 98 N -1.74 6.63 -3.68 0.00 3.02 -1.12 -4.23 115.26 114.15 1jfn n ASN 98 Ca -0.04 -2.43 -0.12 0.00 -0.03 0.00 0.00 54.58 51.96 1jfn n ASN 98 Cb 0.56 -1.31 -0.09 0.00 -0.61 0.00 0.00 39.78 38.34 1jfn n ASN 98 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1jfn s LEU 99 N 0.12 -0.23 0.25 3.41 0.05 -1.26 -1.42 118.68 119.60 1jfn s LEU 99 Ca 0.54 1.15 0.10 0.00 0.05 0.00 0.00 54.13 55.97 1jfn s LEU 99 Cb 0.15 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 46.16 1jfn s LEU 99 CO -0.04 -0.20 -0.07 0.42 -0.55 0.00 0.00 176.35 175.90 1jfn s THR 100 N 0.58 3.14 -0.33 5.48 -4.23 -1.23 -4.63 115.64 114.41 1jfn s THR 100 Ca -0.02 -1.99 -0.39 0.00 -1.18 0.00 0.00 61.69 58.11 1jfn s THR 100 Cb -0.05 -2.65 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 1jfn s THR 100 CO -0.03 -0.33 1.98 0.00 -0.54 0.00 0.00 174.62 175.70 1jfn n GLN 101 N -0.64 0.99 0.30 3.99 6.02 -1.26 -0.76 117.38 126.02 1jfn n GLN 101 Ca -0.07 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 57.07 1jfn n GLN 101 Cb 0.59 -2.18 -0.09 0.00 1.02 0.00 0.00 30.24 29.58 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 -5.98 0.51 0.68 0.00 0.04 -1.26 -5.02 135.00 123.97 1jfn s PRO 103 Ca -0.18 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 1jfn s PRO 103 Cb 0.05 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 1jfn s PRO 103 CO 0.62 -2.66 1.06 0.08 0.04 0.00 0.00 177.00 176.14 1jfn s VAL 104 N -3.04 4.14 0.67 -0.36 1.01 -1.26 -5.04 120.40 116.52 1jfn s VAL 104 Ca 0.65 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 1jfn s VAL 104 Cb -0.18 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1jfn s VAL 104 CO 0.57 -0.91 1.06 -0.89 0.00 0.00 0.00 175.10 174.93 1jfn s THR 105 N -3.09 4.11 -0.07 3.92 2.01 -1.26 -4.91 115.64 116.35 1jfn s THR 105 Ca 0.57 0.68 -0.40 0.00 0.31 0.00 0.00 61.69 62.85 1jfn s THR 105 Cb -0.13 -3.60 -0.19 0.00 0.01 0.00 0.00 72.50 68.58 1jfn s THR 105 CO 0.55 -0.89 1.23 -0.62 -0.69 0.00 0.00 174.62 174.19 1jfn n GLU 106 N -2.96 0.27 0.00 4.92 1.02 -1.26 -4.89 120.64 117.74 1jfn n GLU 106 Ca 0.07 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1jfn n GLU 106 Cb 0.55 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1jfn n GLU 106 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jfn n SER 107 N 2.25 0.00 -3.27 1.62 3.41 -1.26 -4.86 113.62 111.51 1jfn n SER 107 Ca 0.22 0.46 -0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1jfn n SER 107 Cb 0.08 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1jfn n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jfn s SER 108 N -1.87 -0.09 0.00 4.04 0.01 -1.26 -5.15 113.70 109.39 1jfn s SER 108 Ca 0.00 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.09 1jfn s SER 108 Cb 0.00 1.33 -0.03 0.00 0.21 0.00 0.00 66.02 67.53 1jfn s SER 108 CO 0.00 -0.34 -0.12 0.54 0.41 0.00 0.00 173.24 173.73 1jfn s VAL 109 N 2.61 3.21 -1.00 3.43 0.11 -1.26 -5.03 120.40 122.46 1jfn s VAL 109 Ca 0.10 -0.90 -0.24 0.00 -2.93 0.00 0.00 61.98 58.01 1jfn s VAL 109 Cb -0.12 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 1jfn s VAL 109 CO -0.29 0.42 1.88 -0.22 -3.33 0.00 0.00 175.10 173.57 1jfn s LEU 110 N -1.25 3.21 0.25 2.54 2.96 -1.26 -4.94 118.68 120.18 1jfn s LEU 110 Ca 0.15 -1.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.02 1jfn s LEU 110 Cb -0.11 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1jfn s LEU 110 CO 0.05 -2.61 0.36 0.00 -1.32 0.00 0.00 176.35 172.83 1jfn s ALA 111 N 9.46 3.94 -0.12 5.97 0.00 -1.26 -5.06 121.76 134.69 1jfn s ALA 111 Ca 0.66 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1jfn s ALA 111 Cb -0.04 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1jfn s ALA 111 CO 0.02 0.22 -0.06 1.79 0.00 0.00 0.00 175.76 177.73 1jfn h THR 112 N 1.16 0.06 -3.48 0.00 1.35 -2.08 -3.46 112.91 106.45 1jfn h THR 112 Ca -0.51 -1.06 -0.56 0.00 -0.55 0.00 0.00 66.41 63.73 1jfn h THR 112 Cb 1.23 0.13 0.18 0.00 -1.73 0.00 0.00 68.15 67.97 1jfn h THR 112 CO 0.60 0.02 -0.16 -1.20 -0.25 0.00 0.00 175.52 174.53 1jfn n SER 113 N -4.69 -0.42 -0.00 5.36 7.64 -1.26 -4.94 113.62 115.30 1jfn n SER 113 Ca -0.04 0.62 -0.00 0.00 1.01 0.00 0.00 58.87 60.46 1jfn n SER 113 Cb 0.15 -1.31 -0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1jfn n SER 113 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jfn n THR 114 N -2.47 0.02 -3.65 0.44 -1.04 -1.26 -5.05 114.28 101.27 1jfn n THR 114 Ca 0.11 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1jfn n THR 114 Cb 0.50 -0.55 -0.07 0.00 -1.82 0.00 0.00 70.33 68.39 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfn s ALA 115 N -2.01 -1.69 0.18 2.41 0.00 -1.26 -5.16 121.76 114.24 1jfn s ALA 115 Ca -0.00 2.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.91 1jfn s ALA 115 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 1jfn s ALA 115 CO 0.01 -0.69 0.54 0.08 0.00 0.00 0.00 175.76 175.69 1jfn s VAL 116 N 2.38 4.91 -0.18 0.00 1.01 -1.26 -5.07 120.40 122.19 1jfn s VAL 116 Ca -0.06 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 1jfn s VAL 116 Cb -0.10 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1jfn s VAL 116 CO -0.17 0.11 -0.15 -0.44 0.00 0.00 0.00 175.10 174.45 1jfn s SER 117 N -1.99 3.54 -0.49 3.32 0.01 -1.26 -5.06 113.70 111.78 1jfn s SER 117 Ca 0.41 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1jfn s SER 117 Cb -0.13 -1.56 0.15 0.00 0.21 0.00 0.00 66.02 64.69 1jfn s SER 117 CO 0.20 0.03 0.33 -1.61 0.41 0.00 0.00 173.24 172.60 1jfn s GLU 118 N 1.14 1.39 0.00 12.44 8.01 -1.26 -5.33 118.70 135.09 1jfn s GLU 118 Ca 0.01 -2.30 0.29 0.00 0.01 0.00 0.00 54.97 52.98 1jfn s GLU 118 Cb -0.14 -2.23 1.33 0.00 -4.31 0.00 0.00 34.13 28.78 1jfn s GLU 118 CO -0.06 -1.26 1.90 1.04 0.01 0.00 0.00 175.26 176.89