#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 0.00 -3.02 0.00 1.74 -1.26 -3.87 116.66 110.25 1jfn n ARG 2 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 1jfn n ARG 2 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1jfn n ARG 2 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jfn s ILE 3 N 0.00 5.12 0.00 0.55 1.01 -1.26 -4.59 121.20 122.03 1jfn s ILE 3 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 60.65 58.20 1jfn s ILE 3 Cb 0.00 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1jfn s ILE 3 CO 0.00 -1.50 0.00 1.57 0.00 0.00 0.00 174.94 175.01 1jfn n HIS 4 N 5.40 0.00 -3.06 3.97 -0.00 -1.25 -5.01 115.22 115.27 1jfn n HIS 4 Ca 0.30 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.53 1jfn n HIS 4 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1jfn n HIS 4 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1jfn s HIS 5 N -1.77 -0.37 -0.43 1.57 2.46 -1.26 -5.08 115.29 110.41 1jfn s HIS 5 Ca 0.00 0.18 0.09 0.00 0.47 0.00 0.00 55.06 55.80 1jfn s HIS 5 Cb 0.00 0.06 0.29 0.00 -0.13 0.00 0.00 32.58 32.80 1jfn s HIS 5 CO 0.00 -0.23 0.64 1.58 -2.47 0.00 0.00 174.74 174.26 1jfn n HIS 6 N 4.75 0.56 -2.28 3.88 -0.00 -1.26 -4.98 115.22 115.89 1jfn n HIS 6 Ca 0.09 -3.74 -0.43 0.00 -0.00 0.00 0.00 57.72 53.64 1jfn n HIS 6 Cb 0.59 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1jfn n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jfn n HIS 7 N 0.89 3.44 -4.02 1.57 -0.00 -1.26 -4.55 115.22 111.29 1jfn n HIS 7 Ca 0.24 -2.91 -0.31 0.00 0.46 0.00 0.00 57.72 55.20 1jfn n HIS 7 Cb 0.55 -2.17 -0.00 0.00 -0.12 0.00 0.00 29.99 28.25 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 4.90 -1.93 -3.85 1.57 8.25 -1.26 -4.93 115.22 117.97 1jfn n HIS 8 Ca 0.43 0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 58.42 1jfn n HIS 8 Cb 0.38 -3.60 -0.15 0.00 1.12 0.00 0.00 29.99 27.74 1jfn n HIS 8 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jfn s HIS 9 N -3.47 2.25 -0.09 4.41 4.02 -1.26 -4.95 115.29 116.19 1jfn s HIS 9 Ca 0.49 -1.91 0.22 0.00 1.02 0.00 0.00 55.06 54.87 1jfn s HIS 9 Cb -0.26 -1.86 0.44 0.00 -1.02 0.00 0.00 32.58 29.89 1jfn s HIS 9 CO 0.88 -0.84 1.17 1.51 1.02 0.00 0.00 174.74 178.48 1jfn n ILE 10 N 4.70 0.75 -2.95 0.60 0.13 -1.26 -4.96 119.36 116.36 1jfn n ILE 10 Ca -0.04 -1.87 -0.44 0.00 -1.10 0.00 0.00 62.75 59.30 1jfn n ILE 10 Cb 0.43 0.68 0.00 0.00 -0.84 0.00 0.00 39.64 39.91 1jfn n ILE 10 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jfn n GLU 11 N -0.04 3.74 -3.64 9.51 1.02 -1.26 -4.92 120.64 125.05 1jfn n GLU 11 Ca 0.11 -4.13 -0.09 0.00 -0.02 0.00 0.00 57.16 53.02 1jfn n GLU 11 Cb 1.00 -2.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 1jfn n GLU 11 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jfn s GLY 12 N 0.86 -0.53 -0.26 0.62 0.00 -1.26 -5.07 107.32 101.68 1jfn s GLY 12 Ca 0.36 2.34 -0.09 0.00 0.00 0.00 0.00 44.72 47.33 1jfn s GLY 12 CO 0.00 2.14 -0.31 0.54 0.00 0.00 0.00 173.10 175.48 1jfn n ARG 13 N 3.55 0.58 -2.72 2.90 1.74 -1.26 -4.96 116.66 116.50 1jfn n ARG 13 Ca -0.17 0.22 -0.36 0.00 -0.77 0.00 0.00 57.85 56.76 1jfn n ARG 13 Cb 0.57 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfn s ALA 14 N -2.49 3.16 0.09 7.54 0.00 -1.26 -4.97 121.76 123.83 1jfn s ALA 14 Ca -0.36 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 1jfn s ALA 14 Cb 0.13 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.90 1jfn s ALA 14 CO 0.50 0.06 1.31 -1.00 0.00 0.00 0.00 175.76 176.64 1jfn h PRO 15 N 2.82 0.74 -1.01 0.00 0.13 -2.06 -3.42 132.00 129.21 1jfn h PRO 15 Ca -0.47 -0.56 -0.11 0.00 -0.87 0.00 0.00 66.00 63.98 1jfn h PRO 15 Cb 1.20 0.10 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 1jfn h PRO 15 CO 0.64 1.18 -0.48 -0.08 -0.23 0.00 0.00 178.00 179.03 1jfn s THR 16 N -3.86 -0.99 -0.01 1.56 -1.32 -1.26 -5.12 115.64 104.64 1jfn s THR 16 Ca -0.11 -0.58 -0.40 0.00 -1.21 0.00 0.00 61.69 59.39 1jfn s THR 16 Cb 0.08 -0.01 -0.20 0.00 -1.51 0.00 0.00 72.50 70.87 1jfn s THR 16 CO 0.88 -0.01 1.10 -0.62 -2.21 0.00 0.00 174.62 173.76 1jfn n GLU 17 N 3.58 0.08 0.19 7.08 1.02 -1.26 -4.70 120.64 126.63 1jfn n GLU 17 Ca 0.15 0.03 0.17 0.00 -0.02 0.00 0.00 57.16 57.49 1jfn n GLU 17 Cb 0.56 -1.54 0.65 0.00 -0.02 0.00 0.00 31.44 31.10 1jfn n GLU 17 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jfn h GLN 18 N 3.16 0.00 -7.27 3.49 4.20 -2.02 -3.41 115.11 113.26 1jfn h GLN 18 Ca -0.51 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.68 1jfn h GLN 18 Cb 1.42 0.00 0.19 0.00 0.30 0.00 0.00 27.48 29.39 1jfn h GLN 18 CO 0.67 0.00 0.23 -1.12 -0.67 0.00 0.00 178.83 177.94 1jfn s SER 19 N -4.45 3.02 1.06 1.46 0.01 -1.26 -5.01 113.70 108.53 1jfn s SER 19 Ca -0.03 2.18 -0.07 0.00 1.31 0.00 0.00 55.95 59.33 1jfn s SER 19 Cb 0.11 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.88 1jfn s SER 19 CO 0.36 -3.04 0.44 -0.81 0.41 0.00 0.00 173.24 170.60 1jfn n PRO 20 N -4.16 -1.39 0.00 12.44 -0.04 -1.26 -5.01 135.00 135.57 1jfn n PRO 20 Ca 0.12 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1jfn n PRO 20 Cb 0.52 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.38 -1.90 3.06 0.55 0.00 -1.26 -4.87 105.19 101.14 1jfn n GLY 21 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.62 -0.12 1.61 0.11 -1.26 -5.04 120.40 115.08 1jfn s VAL 22 Ca 0.00 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1jfn s VAL 22 Cb 0.00 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1jfn s VAL 22 CO 0.00 -0.04 0.16 0.00 -3.33 0.00 0.00 175.10 171.89 1jfn n GLN 23 N 5.38 -3.43 0.00 1.54 6.02 -1.26 -4.95 117.38 120.67 1jfn n GLN 23 Ca -0.06 2.67 0.00 0.00 -0.01 0.00 0.00 57.00 59.61 1jfn n GLN 23 Cb 0.50 -3.53 0.00 0.00 1.02 0.00 0.00 30.24 28.23 1jfn n GLN 23 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1jfn n ASP 24 N 2.03 0.00 -1.81 1.08 2.03 0.12 -4.74 116.55 115.25 1jfn n ASP 24 Ca -0.27 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.00 1jfn n ASP 24 Cb 0.42 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.83 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfn s TYR 26 N -5.81 -0.45 0.17 0.00 -0.85 -0.76 -4.64 117.35 105.01 1jfn s TYR 26 Ca 0.07 0.36 0.03 0.00 -0.52 0.00 0.00 57.07 57.01 1jfn s TYR 26 Cb -0.02 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 1jfn s TYR 26 CO 0.05 -0.73 0.31 -1.58 -1.52 0.00 0.00 175.55 172.08 1jfn s HIS 27 N -3.10 3.48 0.00 -3.49 5.65 -1.26 0.10 115.29 116.67 1jfn s HIS 27 Ca -0.02 0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.41 1jfn s HIS 27 Cb -0.00 -1.67 0.00 0.00 -1.18 0.00 0.00 32.58 29.73 1jfn s HIS 27 CO -0.07 0.49 0.00 0.41 -0.65 0.00 0.00 174.74 174.92 1jfn n GLY 28 N -0.72 2.62 2.85 1.59 0.00 -1.26 -1.52 105.19 108.76 1jfn n GLY 28 Ca -0.07 0.33 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 5.14 4.46 -0.01 1.61 9.92 -1.26 -4.78 116.55 131.63 1jfn n ASP 29 Ca 0.00 -3.65 -0.00 0.00 -0.53 0.00 0.00 54.79 50.61 1jfn n ASP 29 Cb 0.00 -0.59 -0.00 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.07 0.10 3.75 0.44 0.00 -0.58 -4.16 105.19 104.67 1jfn n GLY 30 Ca 0.31 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1jfn n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jfn s GLN 31 N -1.66 4.61 0.00 1.61 -1.52 -1.19 -3.45 119.66 118.05 1jfn s GLN 31 Ca 0.00 1.23 0.00 0.00 -1.95 0.00 0.00 55.36 54.64 1jfn s GLN 31 Cb 0.00 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1jfn s GLN 31 CO 0.00 0.37 0.00 -1.13 -0.25 0.00 0.00 175.29 174.28 1jfn n SER 32 N 2.33 -4.28 -4.51 5.90 3.41 -1.26 -4.65 113.62 110.57 1jfn n SER 32 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.29 1jfn n SER 32 Cb 0.49 -2.18 -0.18 0.00 -0.26 0.00 0.00 64.21 62.08 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 -2.37 0.39 -2.30 7.33 9.36 -1.22 -4.81 117.16 123.54 1jfn n TYR 33 Ca 0.00 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 60.95 1jfn n TYR 33 Cb 0.26 -1.51 -0.03 0.00 -0.63 0.00 0.00 39.34 37.44 1jfn n TYR 33 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1jfn s ARG 34 N 7.99 4.29 0.00 2.98 3.52 -1.26 -4.83 118.95 131.64 1jfn s ARG 34 Ca 1.29 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 1jfn s ARG 34 Cb -0.92 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 28.87 1jfn s ARG 34 CO 0.48 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1jfn n GLY 35 N 3.59 3.03 2.86 8.12 0.00 -1.26 -4.93 105.19 116.59 1jfn n GLY 35 Ca 0.13 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 5.00 -3.22 1.61 7.64 -1.26 -4.84 113.62 118.55 1jfn n SER 36 Ca 0.00 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.17 1jfn n SER 36 Cb 0.00 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 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 1.46 2.26 -0.30 1.43 7.35 -1.26 -4.77 117.46 123.63 1jfn n PHE 37 Ca 0.26 -2.73 -0.03 0.00 -0.76 0.00 0.00 57.45 54.19 1jfn n PHE 37 Cb 0.37 -1.99 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 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 2.28 1.77 -4.26 -2.13 3.41 -1.26 -4.21 113.62 109.22 1jfn n SER 38 Ca 0.65 -1.75 -0.33 0.00 -0.26 0.00 0.00 58.87 57.19 1jfn n SER 38 Cb 0.32 -0.46 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 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 2.09 2.50 0.44 6.66 2.01 -1.26 -2.39 115.64 125.69 1jfn s THR 39 Ca 0.17 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 1jfn s THR 39 Cb 0.08 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 1jfn s THR 39 CO 0.00 0.54 0.93 0.42 -0.69 0.00 0.00 174.62 175.82 1jfn s THR 40 N 0.56 4.46 0.58 -0.82 -4.23 -0.86 -2.21 115.64 113.12 1jfn s THR 40 Ca -0.11 1.35 0.30 0.00 -1.18 0.00 0.00 61.69 62.05 1jfn s THR 40 Cb -0.16 -3.63 0.43 0.00 1.34 0.00 0.00 72.50 70.48 1jfn s THR 40 CO 0.04 -0.40 1.81 0.58 -0.54 0.00 0.00 174.62 176.11 1jfn h VAL 41 N 1.66 0.36 0.00 2.29 2.07 0.24 1.35 116.25 124.22 1jfn h VAL 41 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jfn h VAL 41 Cb 1.18 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1jfn h VAL 41 CO 0.62 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.62 1jfn n THR 42 N -3.83 0.27 -0.76 2.57 -1.04 -1.26 -4.81 114.28 105.43 1jfn n THR 42 Ca 0.15 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1jfn n THR 42 Cb 0.92 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 0.91 0.80 0.00 3.41 0.00 0.46 -5.07 105.19 105.70 1jfn n GLY 43 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.03 1.28 -3.89 1.61 0.63 -1.23 -4.84 116.66 108.20 1jfn n ARG 44 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1jfn n ARG 44 Cb 0.10 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.87 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 0.60 3.41 0.57 5.15 2.01 -1.26 -2.04 115.64 124.08 1jfn s THR 45 Ca 0.00 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1jfn s THR 45 Cb 0.00 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1jfn s THR 45 CO 0.00 0.31 1.33 0.00 -0.69 0.00 0.00 174.62 175.57 1jfn s GLN 47 N -3.04 3.72 0.39 0.00 2.00 0.11 -4.13 119.66 118.71 1jfn s GLN 47 Ca 0.74 0.20 -0.23 0.00 -2.00 0.00 0.00 55.36 54.07 1jfn s GLN 47 Cb -0.39 -2.59 -0.13 0.00 0.80 0.00 0.00 33.01 30.70 1jfn s GLN 47 CO 0.45 0.19 0.56 0.43 -0.50 0.00 0.00 175.29 176.42 1jfn n SER 48 N -0.76 -0.80 -0.27 6.67 7.64 -1.26 -4.31 113.62 120.52 1jfn n SER 48 Ca -0.00 0.95 -0.06 0.00 1.01 0.00 0.00 58.87 60.77 1jfn n SER 48 Cb 0.53 -1.10 0.07 0.00 -1.01 0.00 0.00 64.21 62.70 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 0.91 1.19 0.00 1.43 4.06 -1.83 -1.74 115.95 119.97 1jfn h TRP 49 Ca -0.39 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1jfn h TRP 49 Cb 1.40 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1jfn h TRP 49 CO 0.37 0.92 0.00 0.45 -3.56 0.00 0.00 178.44 176.62 1jfn n SER 50 N -4.26 2.32 -4.75 -3.49 2.88 -1.26 -4.57 113.62 100.49 1jfn n SER 50 Ca 0.07 -1.90 -0.41 0.00 -1.33 0.00 0.00 58.87 55.29 1jfn n SER 50 Cb 0.21 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 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 0.71 6.44 0.00 -3.46 1.04 -0.66 -4.88 113.70 112.90 1jfn s SER 51 Ca 0.00 2.88 0.00 0.00 0.48 0.00 0.00 55.95 59.31 1jfn s SER 51 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1jfn s SER 51 CO 0.00 -0.86 0.09 0.23 0.98 0.00 0.00 173.24 173.68 1jfn n MET 52 N 2.18 2.39 -0.04 4.02 2.81 -1.26 -2.52 117.12 124.71 1jfn n MET 52 Ca 0.08 -0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1jfn n MET 52 Cb 0.38 -0.44 -0.01 0.00 -0.71 0.00 0.00 33.22 32.45 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 0.15 0.00 0.00 2.03 1.35 -1.98 -3.39 112.91 111.06 1jfn h THR 53 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1jfn h THR 53 Cb 0.07 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 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 -3.73 0.00 -3.47 4.72 -0.04 -1.26 -4.65 135.00 126.56 1jfn n PRO 54 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1jfn n PRO 54 Cb 0.09 -0.19 -0.04 0.00 -0.04 0.00 0.00 33.50 33.32 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 3.89 0.21 0.54 3.76 -1.26 -5.05 115.29 117.38 1jfn s HIS 55 Ca 0.00 -2.58 -0.32 0.00 -0.15 0.00 0.00 55.06 52.01 1jfn s HIS 55 Cb 0.00 -3.58 -0.15 0.00 1.11 0.00 0.00 32.58 29.96 1jfn s HIS 55 CO 0.00 -0.89 1.23 1.87 -0.85 0.00 0.00 174.74 176.10 1jfn n TRP 56 N 3.10 1.59 -4.47 1.40 -0.00 -1.25 -4.70 117.44 113.10 1jfn n TRP 56 Ca 0.18 0.60 -0.23 0.00 -0.00 0.00 0.00 57.50 58.05 1jfn n TRP 56 Cb 0.41 -2.34 -0.10 0.00 -0.00 0.00 0.00 31.31 29.28 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 -0.26 1.91 0.00 5.87 -3.43 -1.05 -4.99 115.29 113.34 1jfn s HIS 57 Ca 0.70 -1.04 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1jfn s HIS 57 Cb -0.76 -1.26 0.00 0.00 -1.43 0.00 0.00 32.58 29.13 1jfn s HIS 57 CO 0.52 -0.07 0.00 1.04 -2.00 0.00 0.00 174.74 174.24 1jfn n GLN 58 N -0.76 3.23 -3.67 -0.38 1.13 -1.26 -4.79 117.38 110.88 1jfn n GLN 58 Ca -0.04 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.76 1jfn n GLN 58 Cb 0.66 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.98 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 0.00 -2.11 -0.85 -1.09 1.74 -1.26 -4.83 116.66 108.26 1jfn n ARG 59 Ca 0.00 0.19 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 1jfn n ARG 59 Cb 0.00 -4.79 0.07 0.00 -1.02 0.00 0.00 32.46 26.73 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 -3.60 0.00 0.24 0.55 5.66 -1.26 -4.53 114.28 111.33 1jfn n THR 60 Ca 0.05 -0.08 0.10 0.00 -3.05 0.00 0.00 64.05 61.07 1jfn n THR 60 Cb 0.49 -0.19 0.49 0.00 -1.55 0.00 0.00 70.33 69.56 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 -3.76 1.07 0.10 1.09 5.66 -1.26 -0.46 114.28 116.72 1jfn n THR 61 Ca -0.01 0.53 -0.00 0.00 -3.05 0.00 0.00 64.05 61.53 1jfn n THR 61 Cb 0.61 -1.50 0.30 0.00 -1.55 0.00 0.00 70.33 68.19 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 0.24 0.00 1.09 4.57 -1.98 0.13 114.58 118.62 1jfn h GLU 62 Ca 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1jfn h GLU 62 Cb 0.13 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1jfn h GLU 62 CO 0.00 0.51 0.00 0.66 -1.18 0.00 0.00 179.01 179.00 1jfn n TYR 63 N -4.14 0.34 -4.77 0.92 4.02 0.40 -4.64 117.16 109.29 1jfn n TYR 63 Ca -0.01 0.12 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 1jfn n TYR 63 Cb 0.38 -0.69 -0.13 0.00 -0.02 0.00 0.00 39.34 38.88 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jfn s TYR 64 N -3.09 2.81 -0.84 -0.72 1.51 0.44 -4.98 117.35 112.48 1jfn s TYR 64 Ca 0.09 -0.39 0.19 0.00 -1.01 0.00 0.00 57.07 55.94 1jfn s TYR 64 Cb 0.12 -1.77 0.78 0.00 -0.11 0.00 0.00 41.96 40.98 1jfn s TYR 64 CO 0.42 -0.02 1.58 -0.35 -1.11 0.00 0.00 175.55 176.08 1jfn n PRO 65 N 3.01 0.07 -0.36 -1.71 -0.04 -1.26 -2.91 135.00 131.79 1jfn n PRO 65 Ca -0.18 0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1jfn n PRO 65 Cb 0.53 -1.62 0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1jfn n PRO 65 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1jfn h ASN 66 N 0.00 1.13 -2.77 3.54 -0.00 -1.94 -3.44 115.58 112.10 1jfn h ASN 66 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.14 1jfn h ASN 66 Cb 0.32 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.32 1jfn h ASN 66 CO 0.00 0.83 -0.13 0.61 -0.00 0.00 0.00 177.43 178.74 1jfn n GLY 67 N -1.34 0.16 0.13 1.57 0.00 -1.15 -4.69 105.19 99.88 1jfn n GLY 67 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.32 -0.92 2.10 -0.02 0.00 -1.26 -4.32 105.19 100.45 1jfn n GLY 68 Ca -0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.03 5.31 -4.52 0.99 4.77 -1.26 -4.87 117.00 116.39 1jfn n LEU 69 Ca 0.10 -3.13 -0.53 0.00 -0.03 0.00 0.00 56.01 52.42 1jfn n LEU 69 Cb 0.34 -1.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.03 1jfn n LEU 69 CO 0.29 1.54 1.64 0.41 -1.33 0.00 0.00 177.39 179.95 1jfn n THR 70 N 2.75 0.23 0.00 -5.08 -1.04 -1.26 -4.41 114.28 105.47 1jfn n THR 70 Ca 0.45 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1jfn n THR 70 Cb 0.73 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 7.25 0.00 -0.57 -2.82 1.74 -1.26 0.98 116.66 121.98 1jfn n ARG 71 Ca 0.37 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.41 1jfn n ARG 71 Cb 0.18 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 31.78 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 3.76 3.50 -4.78 0.55 6.94 -1.26 -2.92 115.26 121.06 1jfn n ASN 72 Ca 0.00 -2.67 -0.41 0.00 -0.02 0.00 0.00 54.58 51.48 1jfn n ASN 72 Cb 0.00 -0.64 0.01 0.00 -2.36 0.00 0.00 39.78 36.79 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 -1.88 2.52 0.22 -2.53 1.51 0.28 -4.55 117.35 112.92 1jfn s TYR 73 Ca 0.30 1.19 -0.27 0.00 -1.01 0.00 0.00 57.07 57.27 1jfn s TYR 73 Cb 0.24 -4.01 -0.09 0.00 -0.11 0.00 0.00 41.96 37.99 1jfn s TYR 73 CO 0.07 -3.04 0.87 0.00 -1.11 0.00 0.00 175.55 172.34 1jfn n ARG 75 N 1.39 0.00 -3.12 0.00 3.00 -1.18 -4.55 116.66 112.20 1jfn n ARG 75 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.77 1jfn n ARG 75 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.92 1jfn n ARG 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1jfn s ASN 76 N 2.00 -0.92 0.03 6.15 3.84 -1.26 0.10 114.94 124.89 1jfn s ASN 76 Ca 0.00 -1.30 0.19 0.00 0.21 0.00 0.00 52.86 51.96 1jfn s ASN 76 Cb 0.00 1.59 0.80 0.00 -0.55 0.00 0.00 41.25 43.09 1jfn s ASN 76 CO 0.00 -0.15 1.60 -0.81 -2.79 0.00 0.00 177.10 174.95 1jfn n PRO 77 N 3.89 0.02 -0.01 0.43 -0.04 -1.26 -3.02 135.00 135.02 1jfn n PRO 77 Ca 0.14 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.82 1jfn n PRO 77 Cb 0.54 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.59 3.26 -2.30 3.54 -0.08 -1.26 -5.03 116.55 113.10 1jfn n ASP 78 Ca 0.04 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.22 1jfn n ASP 78 Cb 0.22 1.17 0.05 0.00 2.34 0.00 0.00 41.12 44.90 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 -1.90 -1.02 -1.14 -1.67 0.00 -1.17 -5.04 120.51 108.58 1jfn n ALA 79 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jfn n ALA 79 Cb 0.34 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.76 2.62 -0.10 0.00 1.02 -1.26 -4.83 120.64 115.34 1jfn n GLU 80 Ca -0.13 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.27 1jfn n GLU 80 Cb 0.58 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.72 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1jfn h ILE 81 N 0.00 0.59 -2.53 -3.67 -0.00 -1.96 -3.42 117.51 106.52 1jfn h ILE 81 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 64.86 65.02 1jfn h ILE 81 Cb 0.00 0.61 -0.04 0.00 -0.00 0.00 0.00 36.82 37.40 1jfn h ILE 81 CO 0.00 0.00 0.56 -0.44 -0.00 0.00 0.00 178.15 178.27 1jfn s SER 82 N -5.77 -0.01 0.60 2.16 0.01 -1.26 -4.55 113.70 104.88 1jfn s SER 82 Ca -0.05 -0.67 -0.15 0.00 1.31 0.00 0.00 55.95 56.39 1jfn s SER 82 Cb 0.20 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 1jfn s SER 82 CO 0.74 -1.02 1.05 -2.16 0.41 0.00 0.00 173.24 172.26 1jfn s PRO 83 N -2.29 3.36 0.00 12.44 0.04 -1.26 -4.71 135.00 142.58 1jfn s PRO 83 Ca 0.20 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1jfn s PRO 83 Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jfn s PRO 83 CO 0.05 -0.77 0.00 -2.67 0.04 0.00 0.00 177.00 173.65 1jfn n TRP 84 N -2.17 -0.62 0.00 0.56 4.27 0.28 -1.69 117.44 118.07 1jfn n TRP 84 Ca 0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 1jfn n TRP 84 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 1jfn n TRP 84 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfn n TYR 86 N -0.38 -1.99 -4.84 0.00 4.02 -1.26 -2.00 117.16 110.71 1jfn n TYR 86 Ca 0.00 0.02 -0.32 0.00 -0.01 0.00 0.00 57.90 57.58 1jfn n TYR 86 Cb 0.00 -1.46 -0.13 0.00 -0.02 0.00 0.00 39.34 37.73 1jfn n TYR 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1jfn s THR 87 N -2.15 2.97 -1.79 -0.72 -4.23 -1.24 0.05 115.64 108.53 1jfn s THR 87 Ca 0.48 -0.85 0.10 0.00 -1.18 0.00 0.00 61.69 60.23 1jfn s THR 87 Cb -0.09 -2.18 0.24 0.00 1.34 0.00 0.00 72.50 71.81 1jfn s THR 87 CO 0.51 0.52 1.10 0.80 -0.54 0.00 0.00 174.62 177.02 1jfn n MET 88 N 2.10 0.25 -4.62 3.99 1.56 0.10 -4.02 117.12 116.49 1jfn n MET 88 Ca -0.17 0.07 -0.33 0.00 -0.27 0.00 0.00 57.70 57.00 1jfn n MET 88 Cb 0.52 -1.50 -0.11 0.00 2.15 0.00 0.00 33.22 34.28 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 -2.21 4.57 0.00 6.12 1.01 -1.26 -4.96 116.67 119.94 1jfn s ASP 89 Ca 0.13 -0.07 0.16 0.00 0.71 0.00 0.00 52.55 53.48 1jfn s ASP 89 Cb 0.07 -1.11 0.89 0.00 1.01 0.00 0.00 42.92 43.77 1jfn s ASP 89 CO 0.13 0.34 1.42 -0.81 0.21 0.00 0.00 175.17 176.47 1jfn n PRO 90 N 2.10 0.36 0.04 8.23 -0.04 -1.26 -1.96 135.00 142.46 1jfn n PRO 90 Ca -0.17 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1jfn n PRO 90 Cb 0.53 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.74 1jfn n PRO 90 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jfn n ASN 91 N -1.15 0.59 -4.10 3.54 2.85 -1.26 -4.81 115.26 110.92 1jfn n ASN 91 Ca 0.10 0.09 -0.25 0.00 -0.11 0.00 0.00 54.58 54.41 1jfn n ASN 91 Cb 0.09 0.05 -0.16 0.00 1.24 0.00 0.00 39.78 41.01 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1jfn s VAL 92 N -3.10 1.29 -0.09 3.44 1.01 -0.83 -5.02 120.40 117.09 1jfn s VAL 92 Ca 0.08 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1jfn s VAL 92 Cb 0.15 -1.12 -0.25 0.00 0.00 0.00 0.00 36.38 35.15 1jfn s VAL 92 CO 0.69 0.38 0.46 -2.11 0.00 0.00 0.00 175.10 174.52 1jfn n ARG 93 N 3.27 0.73 -3.49 2.72 1.85 -1.26 -4.10 116.66 116.37 1jfn n ARG 93 Ca -0.19 0.28 -0.14 0.00 -1.00 0.00 0.00 57.85 56.80 1jfn n ARG 93 Cb 0.53 -1.74 -0.04 0.00 -1.05 0.00 0.00 32.46 30.16 1jfn n ARG 93 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1jfn s TRP 94 N -2.57 -0.55 -0.13 2.89 1.48 -1.26 -3.73 118.94 115.07 1jfn s TRP 94 Ca -0.17 0.66 -0.24 0.00 -1.06 0.00 0.00 56.10 55.30 1jfn s TRP 94 Cb 0.07 0.49 0.06 0.00 -1.16 0.00 0.00 33.47 32.92 1jfn s TRP 94 CO 0.79 -0.67 0.58 -2.00 -4.06 0.00 0.00 176.95 171.59 1jfn s GLU 95 N -2.40 0.82 0.95 3.25 -6.30 -0.85 -4.87 118.70 109.31 1jfn s GLU 95 Ca -0.04 0.47 -0.12 0.00 -2.50 0.00 0.00 54.97 52.78 1jfn s GLU 95 Cb -0.01 0.39 0.16 0.00 0.00 0.00 0.00 34.13 34.67 1jfn s GLU 95 CO -0.02 -0.19 1.10 0.71 0.02 0.00 0.00 175.26 176.88 1jfn s TYR 96 N -0.47 2.25 0.13 5.30 2.02 -1.26 -1.84 117.35 123.48 1jfn s TYR 96 Ca -0.06 1.07 -0.05 0.00 -0.37 0.00 0.00 57.07 57.66 1jfn s TYR 96 Cb -0.03 -3.24 -0.05 0.00 -0.40 0.00 0.00 41.96 38.24 1jfn s TYR 96 CO 0.05 -2.63 0.36 0.00 -1.57 0.00 0.00 175.55 171.76 1jfn n ASN 98 N 0.14 1.07 -3.69 0.00 3.02 -0.94 -4.35 115.26 110.51 1jfn n ASN 98 Ca -0.03 -2.50 -0.12 0.00 -0.03 0.00 0.00 54.58 51.90 1jfn n ASN 98 Cb 0.52 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.93 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 2.25 -0.14 0.27 3.41 0.05 -1.26 0.13 118.68 123.39 1jfn s LEU 99 Ca 0.70 1.07 0.08 0.00 0.05 0.00 0.00 54.13 56.04 1jfn s LEU 99 Cb 0.12 1.76 -0.04 0.00 -2.05 0.00 0.00 46.19 45.99 1jfn s LEU 99 CO 0.33 -0.19 0.16 0.42 -0.55 0.00 0.00 176.35 176.51 1jfn s THR 100 N 0.72 3.97 -0.83 5.48 -4.23 -1.10 -4.67 115.64 114.99 1jfn s THR 100 Ca -0.04 -1.54 -0.28 0.00 -1.18 0.00 0.00 61.69 58.65 1jfn s THR 100 Cb -0.05 -3.21 -0.18 0.00 1.34 0.00 0.00 72.50 70.41 1jfn s THR 100 CO -0.05 -0.32 2.57 1.67 -0.54 0.00 0.00 174.62 177.95 1jfn n GLN 101 N -1.14 0.35 -0.10 3.99 7.27 -1.26 -1.83 117.38 124.66 1jfn n GLN 101 Ca -0.06 -0.03 -0.06 0.00 0.07 0.00 0.00 57.00 56.92 1jfn n GLN 101 Cb 0.59 -2.17 0.01 0.00 2.41 0.00 0.00 30.24 31.08 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jfn s PRO 103 N -6.18 3.44 0.00 0.00 0.04 -1.25 -4.91 135.00 126.13 1jfn s PRO 103 Ca -0.13 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1jfn s PRO 103 Cb 0.13 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1jfn s PRO 103 CO 0.70 -1.76 0.00 0.28 0.04 0.00 0.00 177.00 176.26 1jfn n VAL 104 N 6.80 0.00 -3.51 -0.36 0.31 -1.26 -4.92 118.33 115.39 1jfn n VAL 104 Ca 0.11 0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 64.28 1jfn n VAL 104 Cb 0.49 -0.67 0.01 0.00 -0.91 0.00 0.00 33.84 32.76 1jfn n VAL 104 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1jfn s THR 105 N -0.14 2.07 0.54 2.52 2.01 -1.26 -5.01 115.64 116.37 1jfn s THR 105 Ca 0.00 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1jfn s THR 105 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1jfn s THR 105 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.31 1jfn n GLU 106 N -1.88 -2.94 -2.84 4.92 -0.58 -1.26 -5.02 120.64 111.04 1jfn n GLU 106 Ca 0.05 2.40 -0.09 0.00 -0.42 0.00 0.00 57.16 59.10 1jfn n GLU 106 Cb 0.63 -3.45 -0.02 0.00 -0.57 0.00 0.00 31.44 28.02 1jfn n GLU 106 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1jfn n SER 107 N -4.04 1.08 -3.07 1.62 3.41 -1.26 -4.87 113.62 106.50 1jfn n SER 107 Ca -0.08 -1.76 -0.19 0.00 -0.26 0.00 0.00 58.87 56.58 1jfn n SER 107 Cb 0.58 0.35 0.07 0.00 -0.26 0.00 0.00 64.21 64.95 1jfn n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jfn n SER 108 N -1.85 -5.38 -4.60 4.04 7.64 -1.26 -4.91 113.62 107.30 1jfn n SER 108 Ca -0.02 -0.45 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 1jfn n SER 108 Cb 0.21 -4.27 -0.02 0.00 -1.01 0.00 0.00 64.21 59.12 1jfn n SER 108 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1jfn s VAL 109 N -3.27 3.84 -0.06 0.44 -7.23 -1.26 -4.79 120.40 108.07 1jfn s VAL 109 Ca 0.45 0.85 0.02 0.00 -1.81 0.00 0.00 61.98 61.49 1jfn s VAL 109 Cb -0.20 -4.12 -0.05 0.00 0.56 0.00 0.00 36.38 32.57 1jfn s VAL 109 CO 0.61 -0.71 -0.03 0.18 -0.31 0.00 0.00 175.10 174.83 1jfn n LEU 110 N 9.04 2.09 -3.91 1.32 4.77 -1.26 -4.94 117.00 124.11 1jfn n LEU 110 Ca 0.17 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 1jfn n LEU 110 Cb 0.48 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1jfn n LEU 110 CO 0.70 0.46 -0.35 0.00 -1.33 0.00 0.00 177.39 176.87 1jfn s ALA 111 N -2.12 2.27 -0.30 -1.18 0.00 -1.26 -5.09 121.76 114.08 1jfn s ALA 111 Ca -0.06 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.57 1jfn s ALA 111 Cb 0.02 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.39 1jfn s ALA 111 CO 0.16 -1.60 1.12 0.99 0.00 0.00 0.00 175.76 176.43 1jfn s THR 112 N 1.23 4.45 0.00 0.00 2.01 -1.26 -5.02 115.64 117.05 1jfn s THR 112 Ca 0.08 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1jfn s THR 112 Cb -0.18 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 67.99 1jfn s THR 112 CO -0.14 -0.43 0.00 -1.54 -0.69 0.00 0.00 174.62 171.83 1jfn n SER 113 N 6.91 -0.36 -1.33 3.53 3.41 -1.26 -5.09 113.62 119.43 1jfn n SER 113 Ca 0.13 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1jfn n SER 113 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1jfn n SER 113 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jfn n THR 114 N -1.22 0.00 -2.86 6.66 -2.24 -1.26 -5.12 114.28 108.24 1jfn n THR 114 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1jfn n THR 114 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfn s ALA 115 N -2.00 3.37 -0.12 6.98 0.00 -1.26 -5.05 121.76 123.68 1jfn s ALA 115 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 1jfn s ALA 115 Cb 0.00 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1jfn s ALA 115 CO 0.00 0.20 0.25 0.08 0.00 0.00 0.00 175.76 176.28 1jfn s VAL 116 N -0.89 -0.35 -0.23 0.00 1.01 -1.26 -5.13 120.40 113.55 1jfn s VAL 116 Ca 0.39 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1jfn s VAL 116 Cb -0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1jfn s VAL 116 CO 0.28 0.11 0.01 -0.94 0.00 0.00 0.00 175.10 174.57 1jfn s SER 117 N 2.27 4.74 0.04 3.32 1.04 -1.26 -5.01 113.70 118.84 1jfn s SER 117 Ca 0.00 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 1jfn s SER 117 Cb -0.12 -1.83 -0.18 0.00 0.10 0.00 0.00 66.02 63.99 1jfn s SER 117 CO -0.08 -0.02 1.42 -0.08 0.98 0.00 0.00 173.24 175.46 1jfn h GLU 118 N 8.10 -0.84 -0.02 4.02 4.81 -2.06 -3.58 114.58 125.01 1jfn h GLU 118 Ca -0.39 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jfn h GLU 118 Cb 1.17 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1jfn h GLU 118 CO 0.59 -0.52 0.00 0.94 -0.73 0.00 0.00 179.01 179.29