#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 0.24 -6.54 0.00 3.08 -2.09 -3.47 114.38 105.59 1jfn h ARG 2 Ca 0.00 -0.14 -0.41 0.00 0.07 0.00 0.00 59.98 59.49 1jfn h ARG 2 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1jfn h ARG 2 CO 0.00 0.71 -0.99 -0.89 -1.07 0.00 0.00 179.97 177.73 1jfn n ILE 3 N -3.93 -4.33 -0.11 2.04 5.41 -1.26 -4.91 119.36 112.27 1jfn n ILE 3 Ca -0.02 -0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.50 1jfn n ILE 3 Cb 0.56 -3.55 -0.12 0.00 -0.71 0.00 0.00 39.64 35.82 1jfn n ILE 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1jfn n HIS 4 N -2.10 0.39 -1.74 1.39 -0.00 -1.26 -4.89 115.22 107.02 1jfn n HIS 4 Ca -0.24 0.12 -0.03 0.00 0.46 0.00 0.00 57.72 58.03 1jfn n HIS 4 Cb 0.67 -1.05 -0.03 0.00 -0.12 0.00 0.00 29.99 29.46 1jfn n HIS 4 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1jfn n HIS 5 N -3.84 0.00 -3.42 1.57 -0.00 -1.26 -5.11 115.22 103.16 1jfn n HIS 5 Ca -0.44 -0.24 -0.13 0.00 0.46 0.00 0.00 57.72 57.37 1jfn n HIS 5 Cb 0.91 0.37 -0.10 0.00 -0.12 0.00 0.00 29.99 31.05 1jfn n HIS 5 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1jfn s HIS 6 N 0.00 -0.59 -0.01 1.57 0.00 -1.26 -4.98 115.29 110.02 1jfn s HIS 6 Ca 0.00 0.59 0.00 0.00 -3.00 0.00 0.00 55.06 52.65 1jfn s HIS 6 Cb 0.00 -0.14 0.01 0.00 -4.00 0.00 0.00 32.58 28.45 1jfn s HIS 6 CO 0.00 -0.66 0.26 -2.39 -1.00 0.00 0.00 174.74 170.95 1jfn n HIS 7 N 5.35 -0.05 -4.04 0.38 -0.00 -1.26 -4.87 115.22 110.73 1jfn n HIS 7 Ca -0.04 -0.13 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 1jfn n HIS 7 Cb 0.50 0.36 -0.03 0.00 -0.00 0.00 0.00 29.99 30.81 1jfn n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jfn n HIS 8 N -0.04 -1.54 -1.00 -1.40 8.25 -1.26 -4.52 115.22 113.70 1jfn n HIS 8 Ca -0.05 0.63 0.12 0.00 -0.26 0.00 0.00 57.72 58.16 1jfn n HIS 8 Cb 0.37 -3.39 -0.04 0.00 1.12 0.00 0.00 29.99 28.05 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 -4.48 -2.33 -1.52 4.41 -0.00 -1.26 -4.64 115.22 105.39 1jfn n HIS 9 Ca -0.28 1.19 -0.39 0.00 -0.00 0.00 0.00 57.72 58.24 1jfn n HIS 9 Cb 0.67 -2.12 0.03 0.00 -0.00 0.00 0.00 29.99 28.58 1jfn n HIS 9 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1jfn n ILE 10 N -3.13 2.58 -0.10 3.57 3.06 -1.26 -4.85 119.36 119.23 1jfn n ILE 10 Ca -0.01 -0.50 -0.06 0.00 -2.50 0.00 0.00 62.75 59.69 1jfn n ILE 10 Cb 0.61 -0.84 0.01 0.00 0.54 0.00 0.00 39.64 39.96 1jfn n ILE 10 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1jfn h GLU 11 N 0.53 -0.09 0.00 9.51 5.08 -1.85 -3.45 114.58 124.31 1jfn h GLU 11 Ca -0.46 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1jfn h GLU 11 Cb 1.38 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1jfn h GLU 11 CO 0.50 -0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.86 1jfn n GLY 12 N -1.35 -1.00 0.04 -3.84 0.00 -1.26 -5.10 105.19 92.68 1jfn n GLY 12 Ca 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 1jfn n GLY 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jfn h ARG 13 N 0.00 0.00 -6.82 1.61 2.43 -2.01 -3.48 114.38 106.11 1jfn h ARG 13 Ca 0.00 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.74 1jfn h ARG 13 Cb 0.00 0.00 0.23 0.00 -0.42 0.00 0.00 29.97 29.78 1jfn h ARG 13 CO 0.00 0.00 -0.64 0.00 -1.51 0.00 0.00 179.97 177.82 1jfn n ALA 14 N -2.93 -3.73 -1.00 2.80 0.00 -1.26 -5.00 120.51 109.39 1jfn n ALA 14 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1jfn n ALA 14 Cb 0.13 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1jfn n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jfn n PRO 15 N -3.34 0.09 -0.03 0.00 -0.04 -1.26 -5.05 135.00 125.36 1jfn n PRO 15 Ca 0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1jfn n PRO 15 Cb 0.58 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.44 0.49 -1.85 0.52 -1.04 -1.26 -4.99 114.28 104.71 1jfn n THR 16 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1jfn n THR 16 Cb 0.00 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 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 -2.14 4.18 0.00 -2.82 -6.30 -1.26 -4.81 118.70 105.55 1jfn s GLU 17 Ca -0.09 2.45 0.00 0.00 -2.50 0.00 0.00 54.97 54.83 1jfn s GLU 17 Cb 0.03 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.98 1jfn s GLU 17 CO 0.12 -0.68 0.47 0.94 0.02 0.00 0.00 175.26 176.14 1jfn n GLN 18 N 4.19 0.00 -1.50 4.30 7.27 -1.26 -5.09 117.38 125.29 1jfn n GLN 18 Ca 0.15 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.76 1jfn n GLN 18 Cb 0.38 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.96 1jfn n GLN 18 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1jfn n SER 19 N 0.00 2.24 0.13 1.69 7.64 -1.26 -4.79 113.62 119.27 1jfn n SER 19 Ca 0.00 0.19 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 1jfn n SER 19 Cb 0.48 -1.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.18 1jfn n SER 19 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jfn h PRO 20 N 14.19 0.44 0.00 1.43 0.13 -2.03 -3.48 132.00 142.68 1jfn h PRO 20 Ca -0.28 -0.74 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1jfn h PRO 20 Cb 1.29 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.70 1jfn h PRO 20 CO 1.06 1.35 0.00 0.41 -0.23 0.00 0.00 178.00 180.60 1jfn n GLY 21 N 1.65 0.93 3.24 1.56 0.00 -1.26 -5.11 105.19 106.20 1jfn n GLY 21 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.79 1.80 -0.30 1.61 -7.23 -1.26 -5.04 120.40 108.19 1jfn s VAL 22 Ca 0.00 -0.96 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 1jfn s VAL 22 Cb 0.00 -1.50 0.27 0.00 0.56 0.00 0.00 36.38 35.70 1jfn s VAL 22 CO 0.00 0.51 1.28 1.67 -0.31 0.00 0.00 175.10 178.25 1jfn n GLN 23 N 2.67 0.00 -0.74 4.82 7.27 -1.26 -5.03 117.38 125.11 1jfn n GLN 23 Ca -0.16 -0.51 -0.20 0.00 0.07 0.00 0.00 57.00 56.20 1jfn n GLN 23 Cb 0.52 0.09 -0.03 0.00 2.41 0.00 0.00 30.24 33.23 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1jfn n ASP 24 N 1.69 4.82 -3.45 1.69 5.75 -1.26 -4.75 116.55 121.04 1jfn n ASP 24 Ca 0.02 -2.29 -0.14 0.00 -0.01 0.00 0.00 54.79 52.37 1jfn n ASP 24 Cb 0.71 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.03 -1.75 -3.98 0.00 0.18 0.75 -4.56 117.16 107.83 1jfn n TYR 26 Ca -0.17 -2.28 -0.29 0.00 1.88 0.00 0.00 57.90 57.03 1jfn n TYR 26 Cb 0.62 0.68 -0.16 0.00 -0.38 0.00 0.00 39.34 40.10 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 -2.63 2.02 0.00 -3.48 2.46 -1.26 0.24 115.29 112.64 1jfn s HIS 27 Ca 0.26 -1.15 0.00 0.00 0.47 0.00 0.00 55.06 54.64 1jfn s HIS 27 Cb -0.02 -1.51 0.00 0.00 -0.13 0.00 0.00 32.58 30.92 1jfn s HIS 27 CO 0.19 -0.64 0.00 0.41 -2.47 0.00 0.00 174.74 172.23 1jfn n GLY 28 N 4.81 2.38 0.85 1.59 0.00 -1.26 -3.29 105.19 110.26 1jfn n GLY 28 Ca -0.15 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 5.03 0.20 0.00 1.61 8.00 -1.26 -4.90 116.55 125.24 1jfn n ASP 29 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1jfn n ASP 29 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.15 0.04 0.24 0.44 0.00 -1.21 -3.93 105.19 100.92 1jfn n GLY 30 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.11 0.77 -0.99 1.61 4.20 -1.85 -1.77 115.11 117.19 1jfn h GLN 31 Ca 0.00 -0.11 -0.22 0.00 0.06 0.00 0.00 58.65 58.38 1jfn h GLN 31 Cb 0.55 -0.14 -0.13 0.00 0.30 0.00 0.00 27.48 28.05 1jfn h GLN 31 CO 0.00 0.62 0.28 0.45 -0.67 0.00 0.00 178.83 179.52 1jfn n SER 32 N -4.59 3.34 -4.70 1.46 2.88 -1.26 -4.82 113.62 105.93 1jfn n SER 32 Ca 0.03 -2.72 -0.32 0.00 -1.33 0.00 0.00 58.87 54.52 1jfn n SER 32 Cb 0.11 -0.65 0.13 0.00 -0.75 0.00 0.00 64.21 63.05 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 -1.54 1.86 0.00 0.66 6.14 -0.67 -4.95 117.35 118.85 1jfn s TYR 33 Ca 0.26 1.69 0.00 0.00 0.64 0.00 0.00 57.07 59.66 1jfn s TYR 33 Cb 0.22 -3.39 0.00 0.00 0.42 0.00 0.00 41.96 39.21 1jfn s TYR 33 CO 0.05 -2.69 0.00 0.54 0.64 0.00 0.00 175.55 174.10 1jfn n ARG 34 N -3.53 0.00 0.00 4.97 1.74 -1.26 -4.89 116.66 113.69 1jfn n ARG 34 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1jfn n ARG 34 Cb 0.51 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1jfn n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfn n GLY 35 N 0.00 0.00 1.93 -0.13 0.00 -1.26 -5.04 105.19 100.69 1jfn n GLY 35 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.20 -2.57 1.61 3.41 -1.26 -4.73 113.62 108.88 1jfn n SER 36 Ca 0.00 -2.04 -0.25 0.00 -0.26 0.00 0.00 58.87 56.32 1jfn n SER 36 Cb 0.00 0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.86 1.25 -0.28 7.33 7.35 -1.26 -4.77 117.46 126.22 1jfn n PHE 37 Ca -0.21 -2.07 -0.03 0.00 -0.76 0.00 0.00 57.45 54.37 1jfn n PHE 37 Cb 0.78 -1.70 -0.04 0.00 0.35 0.00 0.00 39.48 38.86 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 2.05 1.55 -4.08 -2.13 2.88 -1.26 -3.98 113.62 108.64 1jfn n SER 38 Ca 0.53 -1.75 -0.30 0.00 -1.33 0.00 0.00 58.87 56.02 1jfn n SER 38 Cb 0.60 -0.41 -0.17 0.00 -0.75 0.00 0.00 64.21 63.49 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 2.30 1.72 0.43 2.46 2.01 -1.26 -2.91 115.64 120.38 1jfn s THR 39 Ca 0.18 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1jfn s THR 39 Cb 0.08 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1jfn s THR 39 CO 0.00 0.48 0.77 0.42 -0.69 0.00 0.00 174.62 175.60 1jfn s THR 40 N 1.09 4.84 0.61 -0.82 -4.23 -1.17 -2.78 115.64 113.18 1jfn s THR 40 Ca -0.03 0.44 0.27 0.00 -1.18 0.00 0.00 61.69 61.19 1jfn s THR 40 Cb -0.14 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.26 1jfn s THR 40 CO -0.05 -0.65 1.71 0.58 -0.54 0.00 0.00 174.62 175.67 1jfn h VAL 41 N 0.75 0.20 -0.01 2.29 2.07 -0.55 1.85 116.25 122.84 1jfn h VAL 41 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jfn h VAL 41 Cb 1.19 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1jfn h VAL 41 CO 0.63 0.00 -0.19 0.41 0.02 0.00 0.00 177.57 178.44 1jfn n THR 42 N -3.40 0.00 -0.64 2.57 -1.04 -1.26 -4.85 114.28 105.66 1jfn n THR 42 Ca 0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1jfn n THR 42 Cb 0.85 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 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 1.32 0.72 0.00 3.41 0.00 0.63 -5.05 105.19 106.22 1jfn n GLY 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.44 -0.18 -3.93 1.61 3.00 -1.25 -4.70 116.66 108.77 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 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 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 -0.79 3.01 0.24 5.15 2.01 -1.26 -3.03 115.64 120.97 1jfn s THR 45 Ca 0.00 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 1jfn s THR 45 Cb 0.00 -2.55 -0.15 0.00 0.01 0.00 0.00 72.50 69.81 1jfn s THR 45 CO 0.00 0.17 0.86 0.00 -0.69 0.00 0.00 174.62 174.95 1jfn s GLN 47 N -1.21 4.26 0.10 0.00 2.00 0.10 -4.31 119.66 120.61 1jfn s GLN 47 Ca 0.63 0.61 -0.30 0.00 -2.00 0.00 0.00 55.36 54.29 1jfn s GLN 47 Cb -0.81 -3.35 -0.16 0.00 0.80 0.00 0.00 33.01 29.49 1jfn s GLN 47 CO 0.58 0.35 0.69 0.43 -0.50 0.00 0.00 175.29 176.84 1jfn n SER 48 N 2.87 -0.61 -0.22 6.67 7.64 -1.26 -4.23 113.62 124.48 1jfn n SER 48 Ca -0.08 1.02 -0.02 0.00 1.01 0.00 0.00 58.87 60.80 1jfn n SER 48 Cb 0.51 -0.84 0.09 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.71 0.62 -0.00 1.43 4.06 -1.90 0.24 115.95 122.11 1jfn h TRP 49 Ca -0.34 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.63 1jfn h TRP 49 Cb 1.28 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1jfn h TRP 49 CO 0.44 0.29 0.00 0.45 -3.56 0.00 0.00 178.44 176.06 1jfn n SER 50 N -4.82 3.03 -4.74 -3.49 2.88 -1.26 -4.64 113.62 100.58 1jfn n SER 50 Ca 0.08 -2.01 -0.42 0.00 -1.33 0.00 0.00 58.87 55.19 1jfn n SER 50 Cb 0.17 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.01 6.36 0.00 -3.46 1.04 0.83 -4.86 113.70 114.62 1jfn s SER 51 Ca 0.00 2.93 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1jfn s SER 51 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1jfn s SER 51 CO 0.00 -0.95 0.47 0.23 0.98 0.00 0.00 173.24 173.97 1jfn n MET 52 N 2.88 0.44 -0.03 4.02 2.81 -1.26 -1.99 117.12 124.00 1jfn n MET 52 Ca 0.11 -0.57 -0.02 0.00 -1.81 0.00 0.00 57.70 55.41 1jfn n MET 52 Cb 0.36 -0.71 -0.01 0.00 -0.71 0.00 0.00 33.22 32.16 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 -0.11 0.51 0.00 2.03 -2.24 -1.26 -4.56 114.28 108.66 1jfn n THR 53 Ca 0.00 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1jfn n THR 53 Cb 0.27 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 -3.12 0.00 -3.45 -0.78 -0.04 -1.26 -4.65 135.00 121.69 1jfn n PRO 54 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1jfn n PRO 54 Cb 0.12 -0.18 -0.04 0.00 -0.04 0.00 0.00 33.50 33.36 1jfn n PRO 54 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jfn s HIS 55 N 0.00 3.68 0.23 0.54 -3.43 -1.26 -5.03 115.29 110.03 1jfn s HIS 55 Ca 0.00 -2.27 -0.30 0.00 -0.80 0.00 0.00 55.06 51.69 1jfn s HIS 55 Cb 0.00 -3.62 -0.15 0.00 -1.43 0.00 0.00 32.58 27.38 1jfn s HIS 55 CO 0.00 -0.94 1.14 1.87 -2.00 0.00 0.00 174.74 174.81 1jfn n TRP 56 N 3.71 1.44 -4.24 0.38 -0.00 -1.26 -4.74 117.44 112.73 1jfn n TRP 56 Ca 0.13 0.65 -0.11 0.00 -0.00 0.00 0.00 57.50 58.17 1jfn n TRP 56 Cb 0.44 -2.30 -0.02 0.00 -0.00 0.00 0.00 31.31 29.43 1jfn n TRP 56 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 1jfn n HIS 57 N 1.00 0.34 0.00 5.87 -0.00 -0.84 -4.98 115.22 116.61 1jfn n HIS 57 Ca 0.12 -0.85 0.00 0.00 -0.00 0.00 0.00 57.72 56.99 1jfn n HIS 57 Cb 0.29 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1jfn n HIS 57 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1jfn n GLN 58 N -0.41 0.00 -2.82 1.57 7.27 -1.26 -4.89 117.38 116.83 1jfn n GLN 58 Ca -0.06 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.58 1jfn n GLN 58 Cb 0.21 -0.11 -0.04 0.00 2.41 0.00 0.00 30.24 32.72 1jfn n GLN 58 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1jfn s ARG 59 N -1.35 4.02 0.13 3.69 0.52 -1.26 -5.00 118.95 119.70 1jfn s ARG 59 Ca 0.00 0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 55.96 1jfn s ARG 59 Cb 0.00 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1jfn s ARG 59 CO 0.00 -0.75 0.16 -0.08 0.02 0.00 0.00 175.30 174.65 1jfn s THR 60 N 3.20 0.10 -0.91 0.02 -1.32 -1.26 -5.00 115.64 110.48 1jfn s THR 60 Ca 0.37 -1.60 0.28 0.00 -1.21 0.00 0.00 61.69 59.53 1jfn s THR 60 Cb -0.14 -1.82 0.22 0.00 -1.51 0.00 0.00 72.50 69.25 1jfn s THR 60 CO 0.13 -0.47 1.81 1.07 -2.21 0.00 0.00 174.62 174.94 1jfn n THR 61 N -0.12 0.19 0.12 5.08 5.66 -1.26 -2.95 114.28 121.00 1jfn n THR 61 Ca -0.08 -0.10 0.04 0.00 -3.05 0.00 0.00 64.05 60.86 1jfn n THR 61 Cb 0.63 -0.44 0.45 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.27 0.00 1.09 4.81 -1.87 0.59 114.58 119.46 1jfn h GLU 62 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jfn h GLU 62 Cb 0.58 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jfn h GLU 62 CO 0.00 0.29 0.00 0.66 -0.73 0.00 0.00 179.01 179.23 1jfn n TYR 63 N -4.38 0.26 -4.27 0.92 4.01 -1.15 -4.58 117.16 107.96 1jfn n TYR 63 Ca -0.00 0.11 -0.31 0.00 -0.16 0.00 0.00 57.90 57.55 1jfn n TYR 63 Cb 0.17 -0.68 -0.09 0.00 -0.31 0.00 0.00 39.34 38.43 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 -3.13 2.86 -1.98 -0.72 1.51 0.21 -4.98 117.35 111.11 1jfn s TYR 64 Ca 0.03 -0.08 0.22 0.00 -1.01 0.00 0.00 57.07 56.24 1jfn s TYR 64 Cb 0.07 -1.52 1.32 0.00 -0.11 0.00 0.00 41.96 41.72 1jfn s TYR 64 CO 0.21 0.43 1.71 -0.35 -1.11 0.00 0.00 175.55 176.44 1jfn n PRO 65 N 0.94 0.68 0.00 -1.71 -0.04 -1.26 -2.46 135.00 131.15 1jfn n PRO 65 Ca -0.13 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1jfn n PRO 65 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 1jfn n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jfn n ASN 66 N -1.01 1.50 -3.38 3.54 3.02 -1.26 -4.60 115.26 113.08 1jfn n ASN 66 Ca 0.17 -1.22 -0.25 0.00 -0.03 0.00 0.00 54.58 53.24 1jfn n ASN 66 Cb 0.08 0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 1jfn n ASN 66 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jfn s GLY 67 N -2.39 0.74 0.66 7.41 0.00 -1.03 -4.95 107.32 107.77 1jfn s GLY 67 Ca 0.25 -1.90 0.40 0.00 0.00 0.00 0.00 44.72 43.47 1jfn s GLY 67 CO 0.49 2.29 2.26 -1.33 0.00 0.00 0.00 173.10 176.82 1jfn h GLY 68 N 6.32 0.00 -7.05 0.20 0.00 -1.81 -3.11 103.07 97.61 1jfn h GLY 68 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.01 1jfn h GLY 68 CO 0.28 0.00 -0.80 1.04 0.00 0.00 0.00 176.54 177.06 1jfn n LEU 69 N -3.09 -0.13 -4.57 3.11 4.77 -1.26 -4.61 117.00 111.22 1jfn n LEU 69 Ca -0.03 -1.02 -0.55 0.00 -0.03 0.00 0.00 56.01 54.39 1jfn n LEU 69 Cb 0.15 -1.23 -0.08 0.00 -2.33 0.00 0.00 43.42 39.93 1jfn n LEU 69 CO 0.19 0.64 1.55 0.41 -1.33 0.00 0.00 177.39 178.85 1jfn n THR 70 N -4.11 0.25 0.00 -5.08 -1.04 -1.26 -4.44 114.28 98.60 1jfn n THR 70 Ca -0.09 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1jfn n THR 70 Cb 0.44 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1jfn n THR 70 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1jfn n ARG 71 N 6.68 0.00 -0.41 -2.82 1.85 -1.26 0.20 116.66 120.91 1jfn n ARG 71 Ca 0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.13 1jfn n ARG 71 Cb 0.16 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.61 1jfn n ARG 71 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1jfn n ASN 72 N 1.11 3.84 -4.77 2.89 6.94 -1.26 -4.00 115.26 120.01 1jfn n ASN 72 Ca 0.00 -2.49 -0.40 0.00 -0.02 0.00 0.00 54.58 51.67 1jfn n ASN 72 Cb 0.00 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 36.70 1jfn n ASN 72 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1jfn s TYR 73 N -0.87 2.89 0.37 -2.53 5.04 0.54 -4.44 117.35 118.34 1jfn s TYR 73 Ca 0.15 1.40 -0.25 0.00 -2.44 0.00 0.00 57.07 55.94 1jfn s TYR 73 Cb 0.12 -3.69 -0.10 0.00 0.35 0.00 0.00 41.96 38.65 1jfn s TYR 73 CO 0.02 -2.04 0.99 0.00 -1.34 0.00 0.00 175.55 173.18 1jfn s ARG 75 N -2.36 0.82 -0.85 0.00 1.81 -1.19 -4.58 118.95 112.60 1jfn s ARG 75 Ca 0.55 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.61 1jfn s ARG 75 Cb -0.19 0.38 0.24 0.00 -0.45 0.00 0.00 34.95 34.93 1jfn s ARG 75 CO 0.24 -0.23 0.88 -1.71 -0.68 0.00 0.00 175.30 173.80 1jfn n ASN 76 N 1.23 4.41 0.00 0.23 2.85 -1.26 -2.27 115.26 120.45 1jfn n ASN 76 Ca -0.20 -3.28 0.10 0.00 -0.11 0.00 0.00 54.58 51.09 1jfn n ASN 76 Cb 0.56 -0.97 0.59 0.00 1.24 0.00 0.00 39.78 41.21 1jfn n ASN 76 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1jfn n PRO 77 N 1.69 0.61 -0.00 1.20 -0.04 -1.26 -2.31 135.00 134.89 1jfn n PRO 77 Ca 0.25 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1jfn n PRO 77 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1jfn n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jfn n ASP 78 N -1.01 0.82 -2.49 3.54 9.92 -1.26 -5.00 116.55 121.07 1jfn n ASP 78 Ca 0.15 -0.66 -0.17 0.00 -0.53 0.00 0.00 54.79 53.59 1jfn n ASP 78 Cb 0.07 1.09 0.04 0.00 -0.64 0.00 0.00 41.12 41.68 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jfn n ALA 79 N -1.38 -0.83 -1.25 2.24 0.00 -0.98 -5.02 120.51 113.30 1jfn n ALA 79 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1jfn n ALA 79 Cb 0.20 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.08 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 -3.44 1.76 0.00 0.00 1.02 -1.26 -4.88 120.64 113.85 1jfn n GLU 80 Ca -0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 1jfn n GLU 80 Cb 0.56 0.00 0.58 0.00 -0.02 0.00 0.00 31.44 32.56 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 0.87 -2.45 -3.67 -0.00 -1.90 -3.42 117.51 106.94 1jfn h ILE 81 Ca 0.00 -0.07 0.16 0.00 -0.00 0.00 0.00 64.86 64.95 1jfn h ILE 81 Cb 0.00 0.64 -0.06 0.00 -0.00 0.00 0.00 36.82 37.40 1jfn h ILE 81 CO 0.00 0.04 0.51 -0.94 -0.00 0.00 0.00 178.15 177.76 1jfn s SER 82 N -6.39 -0.10 0.85 2.16 1.04 -1.26 -4.48 113.70 105.53 1jfn s SER 82 Ca -0.06 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1jfn s SER 82 Cb 0.19 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.93 1jfn s SER 82 CO 0.73 -0.99 1.11 -2.16 0.98 0.00 0.00 173.24 172.91 1jfn s PRO 83 N -2.80 1.63 0.29 4.02 0.04 -1.25 -4.80 135.00 132.13 1jfn s PRO 83 Ca 0.16 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.79 1jfn s PRO 83 Cb -0.02 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1jfn s PRO 83 CO 0.04 -1.91 0.23 -2.67 0.04 0.00 0.00 177.00 172.72 1jfn n TRP 84 N -3.61 -0.59 -3.62 0.56 4.27 -0.96 -1.02 117.44 112.47 1jfn n TRP 84 Ca 0.07 -2.36 -0.08 0.00 -3.89 0.00 0.00 57.50 51.24 1jfn n TRP 84 Cb 0.57 0.22 -0.06 0.00 -1.36 0.00 0.00 31.31 30.68 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 1.30 -2.82 -4.54 0.00 4.01 -1.26 -1.40 117.16 112.45 1jfn n TYR 86 Ca -0.10 -0.50 -0.33 0.00 -0.16 0.00 0.00 57.90 56.81 1jfn n TYR 86 Cb 0.57 -1.46 -0.13 0.00 -0.31 0.00 0.00 39.34 38.02 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 -2.20 3.64 -1.39 -0.72 -4.23 -1.15 0.02 115.64 109.62 1jfn s THR 87 Ca 0.64 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1jfn s THR 87 Cb -0.16 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1jfn s THR 87 CO 0.58 0.52 0.78 0.80 -0.54 0.00 0.00 174.62 176.76 1jfn n MET 88 N 3.28 0.00 -4.35 3.99 1.56 0.28 -4.35 117.12 117.53 1jfn n MET 88 Ca -0.18 0.28 -0.34 0.00 -0.27 0.00 0.00 57.70 57.20 1jfn n MET 88 Cb 0.53 -1.51 -0.09 0.00 2.15 0.00 0.00 33.22 34.30 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 -2.56 5.17 0.00 6.12 1.11 -1.26 -4.95 116.67 120.30 1jfn s ASP 89 Ca 0.00 0.08 0.18 0.00 0.18 0.00 0.00 52.55 52.99 1jfn s ASP 89 Cb 0.00 -1.41 0.98 0.00 1.07 0.00 0.00 42.92 43.56 1jfn s ASP 89 CO 0.00 0.34 1.51 -0.81 1.18 0.00 0.00 175.17 177.39 1jfn n PRO 90 N 1.86 0.40 0.00 8.23 -0.04 -1.26 -2.16 135.00 142.03 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 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.15 0.52 -4.13 3.54 3.02 -1.26 -4.85 115.26 110.94 1jfn n ASN 91 Ca 0.11 -0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 54.15 1jfn n ASN 91 Cb 0.10 0.24 -0.15 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 -2.97 1.21 -0.10 2.41 1.01 -0.92 -5.07 120.40 115.97 1jfn s VAL 92 Ca 0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1jfn s VAL 92 Cb 0.18 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1jfn s VAL 92 CO 0.69 0.30 -0.07 -0.09 0.00 0.00 0.00 175.10 175.92 1jfn h ARG 93 N 5.64 0.00 -3.23 2.72 9.65 -1.89 -3.38 114.38 123.89 1jfn h ARG 93 Ca -0.36 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.48 1jfn h ARG 93 Cb 1.16 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.61 1jfn h ARG 93 CO 0.48 0.00 0.04 1.67 2.80 0.00 0.00 179.97 184.96 1jfn s TRP 94 N -1.76 -0.34 0.08 2.20 1.48 -1.26 -2.91 118.94 116.43 1jfn s TRP 94 Ca -0.06 0.07 -0.18 0.00 -1.06 0.00 0.00 56.10 54.86 1jfn s TRP 94 Cb 0.01 0.38 0.04 0.00 -1.16 0.00 0.00 33.47 32.74 1jfn s TRP 94 CO 0.09 -0.76 0.44 -1.21 -4.06 0.00 0.00 176.95 171.45 1jfn s GLU 95 N -3.77 1.02 1.21 3.25 2.02 -0.49 -4.89 118.70 117.05 1jfn s GLU 95 Ca 0.02 -0.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 1jfn s GLU 95 Cb 0.01 0.46 0.30 0.00 0.10 0.00 0.00 34.13 34.99 1jfn s GLU 95 CO -0.12 -0.38 1.15 0.71 0.02 0.00 0.00 175.26 176.64 1jfn s TYR 96 N -3.10 0.28 -0.07 1.61 2.02 -1.26 -0.35 117.35 116.48 1jfn s TYR 96 Ca -0.01 0.35 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1jfn s TYR 96 Cb 0.00 -3.62 -0.02 0.00 -0.40 0.00 0.00 41.96 37.92 1jfn s TYR 96 CO -0.07 -3.91 -0.13 0.00 -1.57 0.00 0.00 175.55 169.87 1jfn n ASN 98 N 2.52 0.27 -3.85 0.00 3.02 -1.12 -4.63 115.26 111.47 1jfn n ASN 98 Ca -0.17 -1.59 -0.12 0.00 -0.03 0.00 0.00 54.58 52.66 1jfn n ASN 98 Cb 0.52 -1.26 -0.14 0.00 -0.61 0.00 0.00 39.78 38.30 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 9.86 1.75 0.08 3.41 1.43 -1.26 -4.10 118.68 129.85 1jfn s LEU 99 Ca 0.79 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1jfn s LEU 99 Cb -0.22 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.07 1jfn s LEU 99 CO 0.19 -0.03 -0.06 0.42 0.23 0.00 0.00 176.35 177.11 1jfn s THR 100 N 0.16 0.56 -0.44 5.49 -4.23 -1.22 -4.85 115.64 111.10 1jfn s THR 100 Ca -0.01 -1.80 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 1jfn s THR 100 Cb -0.02 -1.51 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 1jfn s THR 100 CO -0.00 -0.85 2.37 0.00 -0.54 0.00 0.00 174.62 175.60 1jfn n GLN 101 N 0.17 1.21 -0.32 3.99 6.02 -1.26 0.27 117.38 127.46 1jfn n GLN 101 Ca -0.14 0.15 0.01 0.00 -0.01 0.00 0.00 57.00 57.01 1jfn n GLN 101 Cb 0.60 -3.20 0.15 0.00 1.02 0.00 0.00 30.24 28.81 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jfn h PRO 103 N 1.01 -0.20 -6.54 0.00 0.13 -1.87 -3.47 132.00 121.06 1jfn h PRO 103 Ca 0.38 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 65.08 1jfn h PRO 103 Cb 0.16 0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.36 1jfn h PRO 103 CO -0.17 -0.13 -0.20 0.08 -0.23 0.00 0.00 178.00 177.35 1jfn s VAL 104 N -2.21 4.00 -0.16 1.56 1.01 -1.23 -5.10 120.40 118.28 1jfn s VAL 104 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1jfn s VAL 104 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1jfn s VAL 104 CO 0.09 -0.25 -0.11 -0.89 0.00 0.00 0.00 175.10 173.94 1jfn s THR 105 N -2.40 1.44 0.07 3.92 2.01 -1.26 -4.21 115.64 115.21 1jfn s THR 105 Ca 0.47 -0.70 -0.37 0.00 0.31 0.00 0.00 61.69 61.41 1jfn s THR 105 Cb -0.10 -1.46 -0.18 0.00 0.01 0.00 0.00 72.50 70.77 1jfn s THR 105 CO 0.35 0.30 1.09 -0.62 -0.69 0.00 0.00 174.62 175.05 1jfn n GLU 106 N 4.79 0.47 0.00 4.92 1.02 -1.26 -4.76 120.64 125.81 1jfn n GLU 106 Ca -0.15 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1jfn n GLU 106 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1jfn n GLU 106 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jfn n SER 107 N 1.88 0.00 -2.66 1.62 2.88 -1.26 -5.13 113.62 110.96 1jfn n SER 107 Ca 0.19 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1jfn n SER 107 Cb 0.15 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 1jfn n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jfn n SER 108 N -0.33 -1.29 0.00 -3.46 7.64 -1.26 -4.94 113.62 109.98 1jfn n SER 108 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1jfn n SER 108 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.33 1jfn n SER 108 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1jfn n VAL 109 N 1.79 0.00 -2.46 0.44 0.31 -1.26 -4.73 118.33 112.42 1jfn n VAL 109 Ca -0.37 1.21 -0.33 0.00 -0.01 0.00 0.00 64.34 64.84 1jfn n VAL 109 Cb 0.58 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.29 1jfn n VAL 109 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jfn s LEU 110 N -2.76 3.71 -0.80 7.52 1.43 -1.26 -4.98 118.68 121.53 1jfn s LEU 110 Ca 0.00 1.68 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1jfn s LEU 110 Cb 0.00 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.80 1jfn s LEU 110 CO 0.00 -0.65 1.02 0.00 0.23 0.00 0.00 176.35 176.95 1jfn s ALA 111 N -2.41 3.30 0.66 4.21 0.00 -1.26 -5.02 121.76 121.23 1jfn s ALA 111 Ca 0.61 -2.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.09 1jfn s ALA 111 Cb -0.11 -3.92 0.03 0.00 0.00 0.00 0.00 23.12 19.11 1jfn s ALA 111 CO 0.26 -2.83 0.99 -0.08 0.00 0.00 0.00 175.76 174.10 1jfn s THR 112 N 3.10 3.16 -0.72 0.00 -1.32 -1.26 -4.96 115.64 113.64 1jfn s THR 112 Ca 0.27 0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.52 1jfn s THR 112 Cb -0.11 -3.31 -0.01 0.00 -1.51 0.00 0.00 72.50 67.56 1jfn s THR 112 CO -0.01 -0.35 1.69 -0.44 -2.21 0.00 0.00 174.62 173.29 1jfn s SER 113 N -4.39 5.58 -0.58 8.08 0.01 -1.26 -4.83 113.70 116.32 1jfn s SER 113 Ca 0.57 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1jfn s SER 113 Cb -0.11 -2.55 0.41 0.00 0.21 0.00 0.00 66.02 63.98 1jfn s SER 113 CO 0.47 -2.22 1.55 1.07 0.41 0.00 0.00 173.24 174.52 1jfn n THR 114 N 7.07 2.97 -2.67 1.44 5.66 -1.26 -4.97 114.28 122.52 1jfn n THR 114 Ca 0.20 -4.34 -0.42 0.00 -3.05 0.00 0.00 64.05 56.44 1jfn n THR 114 Cb 0.50 -1.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.03 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jfn s ALA 115 N -3.77 2.90 -0.00 1.79 0.00 -1.26 -4.83 121.76 116.59 1jfn s ALA 115 Ca 0.52 -1.74 0.20 0.00 0.00 0.00 0.00 51.96 50.94 1jfn s ALA 115 Cb 0.43 -4.16 0.55 0.00 0.00 0.00 0.00 23.12 19.94 1jfn s ALA 115 CO -0.20 -3.15 1.67 0.28 0.00 0.00 0.00 175.76 174.35 1jfn h VAL 116 N 6.11 0.67 -3.21 0.00 2.07 -2.03 -3.43 116.25 116.42 1jfn h VAL 116 Ca -0.19 -1.55 -0.60 0.00 0.82 0.00 0.00 66.70 65.18 1jfn h VAL 116 Cb 1.05 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.75 1jfn h VAL 116 CO 1.26 0.32 -0.39 -0.44 0.02 0.00 0.00 177.57 178.34 1jfn s SER 117 N -6.32 6.38 0.21 0.57 0.01 -1.26 -5.03 113.70 108.26 1jfn s SER 117 Ca 0.02 0.44 -0.30 0.00 1.31 0.00 0.00 55.95 57.42 1jfn s SER 117 Cb 0.09 -2.14 -0.16 0.00 0.21 0.00 0.00 66.02 64.02 1jfn s SER 117 CO 0.68 0.17 0.83 1.21 0.41 0.00 0.00 173.24 176.54 1jfn n GLU 118 N 3.31 0.65 0.00 12.44 0.00 -1.26 -5.20 120.64 130.58 1jfn n GLU 118 Ca -0.14 0.23 0.02 0.00 0.00 0.00 0.00 57.16 57.27 1jfn n GLU 118 Cb 0.52 -1.47 0.02 0.00 0.00 0.00 0.00 31.44 30.51 1jfn n GLU 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17