#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 -0.89 0.00 5.12 -1.26 -5.07 116.66 114.57 1jfn n ARG 2 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1jfn n ARG 2 Cb 0.00 -0.38 0.14 0.00 -1.16 0.00 0.00 32.46 31.06 1jfn n ARG 2 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1jfn n ILE 3 N -3.48 0.94 -3.55 0.55 -5.35 -1.26 -5.02 119.36 102.19 1jfn n ILE 3 Ca 0.00 -0.12 -0.24 0.00 -0.27 0.00 0.00 62.75 62.12 1jfn n ILE 3 Cb 0.00 -1.04 -0.15 0.00 -1.74 0.00 0.00 39.64 36.71 1jfn n ILE 3 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1jfn s HIS 4 N -2.37 0.03 -0.67 4.28 2.46 -1.26 -4.95 115.29 112.81 1jfn s HIS 4 Ca 0.69 -0.21 -0.12 0.00 0.47 0.00 0.00 55.06 55.89 1jfn s HIS 4 Cb -0.26 -0.60 0.02 0.00 -0.13 0.00 0.00 32.58 31.60 1jfn s HIS 4 CO 0.56 -0.60 0.64 0.72 -2.47 0.00 0.00 174.74 173.59 1jfn n HIS 5 N 5.29 -2.60 0.55 3.88 8.25 -1.26 -4.82 115.22 124.52 1jfn n HIS 5 Ca -0.06 1.05 0.12 0.00 -0.26 0.00 0.00 57.72 58.57 1jfn n HIS 5 Cb 0.48 -2.99 0.45 0.00 1.12 0.00 0.00 29.99 29.05 1jfn n HIS 5 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jfn n HIS 6 N -1.55 0.64 -3.64 4.41 8.25 -1.26 -4.76 115.22 117.32 1jfn n HIS 6 Ca -0.14 0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 1jfn n HIS 6 Cb 0.62 -0.86 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 1jfn n HIS 6 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1jfn s HIS 7 N -3.17 -0.81 -0.11 4.41 2.46 -1.26 -5.15 115.29 111.66 1jfn s HIS 7 Ca 0.08 1.77 -0.01 0.00 0.47 0.00 0.00 55.06 57.37 1jfn s HIS 7 Cb 0.11 0.43 0.03 0.00 -0.13 0.00 0.00 32.58 33.02 1jfn s HIS 7 CO 0.45 -0.40 -0.04 -1.01 -2.47 0.00 0.00 174.74 171.28 1jfn s HIS 8 N 0.94 1.18 0.11 3.88 3.76 -1.26 -5.01 115.29 118.90 1jfn s HIS 8 Ca -0.04 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1jfn s HIS 8 Cb -0.05 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.57 1jfn s HIS 8 CO -0.10 -0.46 0.00 0.72 -0.85 0.00 0.00 174.74 174.05 1jfn n HIS 9 N 5.02 -0.72 0.06 1.40 8.25 -1.26 -5.06 115.22 122.91 1jfn n HIS 9 Ca -0.10 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1jfn n HIS 9 Cb 0.50 0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1jfn n HIS 9 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1jfn n ILE 10 N -3.10 0.58 -2.25 1.59 5.41 -1.26 -5.06 119.36 115.27 1jfn n ILE 10 Ca 0.00 0.19 -0.39 0.00 1.00 0.00 0.00 62.75 63.55 1jfn n ILE 10 Cb 0.00 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.86 1jfn n ILE 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1jfn s GLU 11 N -1.71 4.19 0.00 0.38 -1.05 -1.26 -4.92 118.70 114.33 1jfn s GLU 11 Ca 0.00 1.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 1jfn s GLU 11 Cb 0.00 -2.84 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1jfn s GLU 11 CO 0.00 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.39 1jfn n GLY 12 N 0.75 1.60 1.63 -3.83 0.00 -1.26 -4.95 105.19 99.13 1jfn n GLY 12 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1jfn n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jfn n ARG 13 N 0.00 0.00 -3.06 1.61 0.63 -1.26 -4.96 116.66 109.62 1jfn n ARG 13 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1jfn n ARG 13 Cb 0.00 -0.19 -0.00 0.00 0.45 0.00 0.00 32.46 32.72 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jfn n ALA 14 N -2.76 1.59 0.17 5.13 0.00 -1.26 -4.92 120.51 118.47 1jfn n ALA 14 Ca 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 53.44 50.49 1jfn n ALA 14 Cb 0.17 -0.97 0.29 0.00 0.00 0.00 0.00 19.45 18.94 1jfn n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jfn h PRO 15 N 2.98 0.00 0.00 0.00 0.13 -1.93 -3.45 132.00 129.73 1jfn h PRO 15 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1jfn h PRO 15 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jfn h PRO 15 CO 0.42 0.44 0.00 0.25 -0.23 0.00 0.00 178.00 178.88 1jfn n THR 16 N -3.61 0.00 -1.78 1.56 -2.24 -1.26 -5.04 114.28 101.91 1jfn n THR 16 Ca -0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1jfn n THR 16 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1jfn n THR 16 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jfn s GLU 17 N 4.18 4.08 0.00 -0.78 2.12 -1.26 -4.99 118.70 122.05 1jfn s GLU 17 Ca 0.00 2.59 0.00 0.00 0.36 0.00 0.00 54.97 57.92 1jfn s GLU 17 Cb 0.00 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1jfn s GLU 17 CO 0.00 -0.57 0.00 0.00 -0.54 0.00 0.00 175.26 174.15 1jfn n GLN 18 N 0.41 1.55 -1.45 4.30 0.00 -1.26 -5.00 117.38 115.93 1jfn n GLN 18 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 57.00 56.56 1jfn n GLN 18 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.51 1jfn n GLN 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jfn n SER 19 N 0.00 0.85 -4.56 2.61 2.88 -1.26 -4.78 113.62 109.36 1jfn n SER 19 Ca 0.00 0.22 -0.40 0.00 -1.33 0.00 0.00 58.87 57.36 1jfn n SER 19 Cb 0.00 -1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 62.39 1jfn n SER 19 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jfn s PRO 20 N 7.99 2.94 0.00 -1.46 0.04 -1.26 -4.75 135.00 138.50 1jfn s PRO 20 Ca 1.25 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1jfn s PRO 20 Cb -1.12 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1jfn s PRO 20 CO 0.49 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1jfn n GLY 21 N 5.52 1.19 3.61 0.56 0.00 -1.26 -5.11 105.19 109.69 1jfn n GLY 21 Ca 0.15 0.19 -0.50 0.00 0.00 0.00 0.00 46.02 45.86 1jfn n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jfn n VAL 22 N 0.00 0.01 -3.00 1.61 0.24 -1.26 -4.91 118.33 111.02 1jfn n VAL 22 Ca 0.00 -0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1jfn n VAL 22 Cb 0.00 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1jfn n VAL 22 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1jfn s GLN 23 N 0.58 0.02 -0.75 7.34 0.74 -1.26 -5.08 119.66 121.25 1jfn s GLN 23 Ca 0.83 0.01 -0.26 0.00 0.05 0.00 0.00 55.36 55.99 1jfn s GLN 23 Cb -0.88 0.01 -0.11 0.00 1.10 0.00 0.00 33.01 33.12 1jfn s GLN 23 CO 0.45 -0.03 2.31 -0.51 -0.55 0.00 0.00 175.29 176.96 1jfn s ASP 24 N 2.68 4.23 0.04 6.67 1.11 -1.26 -4.84 116.67 125.30 1jfn s ASP 24 Ca 0.27 0.11 -0.27 0.00 0.18 0.00 0.00 52.55 52.84 1jfn s ASP 24 Cb 0.02 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.54 1jfn s ASP 24 CO -0.20 -3.49 0.65 0.00 1.18 0.00 0.00 175.17 173.31 1jfn s TYR 26 N -2.37 -0.68 0.20 0.00 -0.85 0.85 -4.35 117.35 110.15 1jfn s TYR 26 Ca -0.05 1.27 0.04 0.00 -0.52 0.00 0.00 57.07 57.80 1jfn s TYR 26 Cb -0.00 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1jfn s TYR 26 CO -0.01 -0.57 0.33 -1.01 -1.52 0.00 0.00 175.55 172.77 1jfn s HIS 27 N -0.90 3.47 0.00 -3.49 3.76 -1.26 0.56 115.29 117.42 1jfn s HIS 27 Ca -0.09 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1jfn s HIS 27 Cb -0.01 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1jfn s HIS 27 CO 0.08 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 1jfn n GLY 28 N -0.98 3.34 2.74 -2.22 0.00 -1.26 -2.12 105.19 104.70 1jfn n GLY 28 Ca -0.08 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 6.98 3.63 0.00 1.61 8.00 -1.26 -4.82 116.55 130.69 1jfn n ASP 29 Ca 0.00 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 51.98 1jfn n ASP 29 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -0.14 0.12 0.15 0.44 0.00 -0.90 -3.97 105.19 100.89 1jfn n GLY 30 Ca 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 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 0.28 0.44 0.00 1.61 5.75 -1.82 -3.14 115.11 118.23 1jfn h GLN 31 Ca 0.00 -0.56 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 1jfn h GLN 31 Cb 0.65 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1jfn h GLN 31 CO 0.00 1.22 0.00 0.45 -2.65 0.00 0.00 178.83 177.85 1jfn n SER 32 N -3.70 0.00 -4.68 -0.69 2.88 -1.25 -4.76 113.62 101.41 1jfn n SER 32 Ca -0.09 -0.75 -0.42 0.00 -1.33 0.00 0.00 58.87 56.27 1jfn n SER 32 Cb 0.93 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.36 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 -2.00 3.09 -0.01 0.66 5.04 -1.18 -4.86 117.35 118.08 1jfn s TYR 33 Ca 0.30 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1jfn s TYR 33 Cb 0.14 -3.48 0.03 0.00 0.35 0.00 0.00 41.96 39.00 1jfn s TYR 33 CO 0.23 -1.58 0.88 -2.13 -1.34 0.00 0.00 175.55 171.61 1jfn n ARG 34 N 5.38 0.26 -0.20 4.97 0.63 -1.26 -4.94 116.66 121.50 1jfn n ARG 34 Ca 0.12 -1.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.01 1jfn n ARG 34 Cb 0.46 -0.62 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1jfn n ARG 34 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jfn n GLY 35 N -0.16 2.85 2.80 5.14 0.00 -1.26 -5.05 105.19 109.51 1jfn n GLY 35 Ca 0.02 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.45 4.93 -3.73 1.61 3.41 -1.26 -4.67 113.62 113.46 1jfn n SER 36 Ca 0.00 -3.70 -0.42 0.00 -0.26 0.00 0.00 58.87 54.48 1jfn n SER 36 Cb 0.00 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.32 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 -0.30 3.01 -0.46 7.33 7.35 -1.26 -4.68 117.46 128.45 1jfn n PHE 37 Ca 0.35 -2.56 -0.02 0.00 -0.76 0.00 0.00 57.45 54.46 1jfn n PHE 37 Cb 0.43 -2.28 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 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 6.76 3.99 -4.39 -2.13 3.41 -1.26 -3.71 113.62 116.29 1jfn n SER 38 Ca 0.51 -2.10 -0.34 0.00 -0.26 0.00 0.00 58.87 56.68 1jfn n SER 38 Cb 0.40 -0.90 -0.13 0.00 -0.26 0.00 0.00 64.21 63.32 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 0.73 3.57 0.87 6.66 2.01 -1.26 -2.76 115.64 125.46 1jfn s THR 39 Ca 0.12 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1jfn s THR 39 Cb 0.06 -2.60 0.12 0.00 0.01 0.00 0.00 72.50 70.09 1jfn s THR 39 CO 0.00 0.45 1.19 0.42 -0.69 0.00 0.00 174.62 175.99 1jfn s THR 40 N 1.01 1.99 0.20 -0.82 -4.23 -1.20 -3.16 115.64 109.42 1jfn s THR 40 Ca 0.01 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 1jfn s THR 40 Cb -0.15 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.90 1jfn s THR 40 CO 0.01 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.52 1jfn h VAL 41 N -1.31 1.19 0.00 2.29 2.07 0.21 -1.16 116.25 119.54 1jfn h VAL 41 Ca -0.47 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jfn h VAL 41 Cb 1.31 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1jfn h VAL 41 CO 0.60 0.19 -0.01 0.74 0.02 0.00 0.00 177.57 179.10 1jfn h THR 42 N 0.94 0.09 0.00 2.57 2.02 -1.93 -3.44 112.91 113.16 1jfn h THR 42 Ca 0.25 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1jfn h THR 42 Cb -0.07 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jfn h THR 42 CO -0.05 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.46 1jfn n GLY 43 N -0.82 0.99 0.00 2.16 0.00 -0.44 -5.09 105.19 101.99 1jfn n GLY 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfn n ARG 44 N -1.94 1.22 -4.39 1.61 1.74 -1.26 -4.79 116.66 108.85 1jfn n ARG 44 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1jfn n ARG 44 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jfn s THR 45 N 0.25 3.18 0.59 0.55 2.01 -1.26 -3.26 115.64 117.70 1jfn s THR 45 Ca 0.00 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 1jfn s THR 45 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1jfn s THR 45 CO 0.00 0.49 1.05 0.00 -0.69 0.00 0.00 174.62 175.47 1jfn s GLN 47 N -4.04 4.24 1.01 0.00 0.74 -0.35 -3.85 119.66 117.40 1jfn s GLN 47 Ca 0.64 0.47 -0.21 0.00 0.05 0.00 0.00 55.36 56.31 1jfn s GLN 47 Cb -0.16 -3.53 -0.13 0.00 1.10 0.00 0.00 33.01 30.30 1jfn s GLN 47 CO 0.36 -0.07 -0.90 0.43 -0.55 0.00 0.00 175.29 174.56 1jfn n SER 48 N 4.48 -4.15 0.05 6.67 7.64 -1.26 -4.19 113.62 122.85 1jfn n SER 48 Ca -0.05 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 1jfn n SER 48 Cb 0.51 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.16 0.67 0.00 1.43 4.06 -1.89 -2.99 115.95 116.08 1jfn h TRP 49 Ca -0.43 -0.32 0.00 0.00 2.06 0.00 0.00 58.89 60.20 1jfn h TRP 49 Cb 1.34 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1jfn h TRP 49 CO 0.14 1.12 0.00 0.45 -3.56 0.00 0.00 178.44 176.59 1jfn n SER 50 N -3.82 0.90 -4.83 -3.49 2.88 -1.26 -4.02 113.62 99.98 1jfn n SER 50 Ca -0.06 -1.99 -0.35 0.00 -1.33 0.00 0.00 58.87 55.14 1jfn n SER 50 Cb 0.77 -0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 1jfn n SER 50 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jfn s SER 51 N -0.10 6.91 0.00 -3.46 0.01 -1.13 -4.94 113.70 110.99 1jfn s SER 51 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1jfn s SER 51 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1jfn s SER 51 CO 0.00 0.06 0.53 1.15 0.41 0.00 0.00 173.24 175.39 1jfn n MET 52 N 0.71 0.00 0.03 12.44 0.00 -1.26 -4.30 117.12 124.73 1jfn n MET 52 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 57.70 57.39 1jfn n MET 52 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 33.22 33.59 1jfn n MET 52 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1jfn h THR 53 N 4.98 0.00 0.00 3.17 1.35 -1.99 -3.36 112.91 117.06 1jfn h THR 53 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1jfn h THR 53 Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 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 -3.96 0.00 -3.64 4.72 -0.04 -1.26 -4.66 135.00 126.15 1jfn n PRO 54 Ca -0.02 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.06 1jfn n PRO 54 Cb 0.05 -0.39 -0.08 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.15 3.48 0.10 0.54 -3.43 -1.26 -5.03 115.29 109.54 1jfn s HIS 55 Ca 0.00 -2.56 -0.34 0.00 -0.80 0.00 0.00 55.06 51.36 1jfn s HIS 55 Cb 0.00 -3.32 -0.13 0.00 -1.43 0.00 0.00 32.58 27.70 1jfn s HIS 55 CO 0.00 -0.87 1.68 1.87 -2.00 0.00 0.00 174.74 175.42 1jfn n TRP 56 N 3.62 2.35 -5.11 0.38 -0.00 -1.26 -4.83 117.44 112.58 1jfn n TRP 56 Ca 0.08 0.15 -0.31 0.00 -0.00 0.00 0.00 57.50 57.43 1jfn n TRP 56 Cb 0.40 -2.60 -0.17 0.00 -0.00 0.00 0.00 31.31 28.94 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 1.85 2.34 0.28 5.87 -3.43 -1.26 -5.01 115.29 115.93 1jfn s HIS 57 Ca 0.82 -0.92 0.01 0.00 -0.80 0.00 0.00 55.06 54.17 1jfn s HIS 57 Cb -0.65 -1.58 0.68 0.00 -1.43 0.00 0.00 32.58 29.60 1jfn s HIS 57 CO 0.41 -0.37 1.64 1.96 -2.00 0.00 0.00 174.74 176.38 1jfn h GLN 58 N 6.67 0.18 -6.84 -0.38 1.08 -1.95 -3.40 115.11 110.47 1jfn h GLN 58 Ca -0.23 -0.01 -0.55 0.00 -1.45 0.00 0.00 58.65 56.42 1jfn h GLN 58 Cb 1.22 -0.04 0.10 0.00 -0.05 0.00 0.00 27.48 28.71 1jfn h GLN 58 CO 0.47 0.12 0.75 0.54 -0.95 0.00 0.00 178.83 179.76 1jfn n ARG 59 N -5.25 2.55 -3.09 1.46 5.12 -1.26 -4.81 116.66 111.38 1jfn n ARG 59 Ca 0.21 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1jfn n ARG 59 Cb 0.66 -2.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1jfn n THR 60 N 1.05 0.00 0.52 0.55 5.66 -1.26 -4.82 114.28 115.98 1jfn n THR 60 Ca 0.05 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.15 1jfn n THR 60 Cb 0.37 0.00 0.42 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.08 0.80 0.08 1.09 -2.24 -1.26 -2.05 114.28 110.63 1jfn n THR 61 Ca 0.00 0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.95 1jfn n THR 61 Cb 0.00 -0.98 0.27 0.00 -2.10 0.00 0.00 70.33 67.53 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 0.32 -0.01 -0.78 4.81 -1.92 -0.13 114.58 116.87 1jfn h GLU 62 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1jfn h GLU 62 Cb 0.36 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1jfn h GLU 62 CO 0.00 0.56 -0.24 0.66 -0.73 0.00 0.00 179.01 179.26 1jfn n TYR 63 N -4.14 0.00 -3.41 0.92 4.02 -0.87 -4.52 117.16 109.16 1jfn n TYR 63 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 1jfn n TYR 63 Cb 0.38 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.58 0.46 0.12 -0.72 1.51 -0.08 -4.96 117.35 111.09 1jfn s TYR 64 Ca 0.23 -1.51 0.24 0.00 -1.01 0.00 0.00 57.07 55.02 1jfn s TYR 64 Cb 0.19 -0.75 0.88 0.00 -0.11 0.00 0.00 41.96 42.17 1jfn s TYR 64 CO 0.53 -0.88 1.81 -1.00 -1.11 0.00 0.00 175.55 174.91 1jfn h PRO 65 N 6.75 0.00 -1.53 -1.71 0.13 -1.74 -3.29 132.00 130.60 1jfn h PRO 65 Ca 0.09 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.72 1jfn h PRO 65 Cb 0.98 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.70 1jfn h PRO 65 CO 0.26 0.23 -0.93 0.09 -0.23 0.00 0.00 178.00 177.42 1jfn n ASN 66 N -3.38 3.11 -0.24 1.44 4.13 -1.26 -4.78 115.26 114.28 1jfn n ASN 66 Ca 0.00 -3.29 0.08 0.00 1.68 0.00 0.00 54.58 53.05 1jfn n ASN 66 Cb 0.44 -0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 38.13 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jfn n GLY 67 N -0.21 -0.21 1.46 7.41 0.00 -1.24 -4.95 105.19 107.44 1jfn n GLY 67 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.26 0.59 2.56 -0.02 0.00 -1.26 -4.95 105.19 103.37 1jfn n GLY 68 Ca 0.06 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 7.77 -4.70 0.99 4.77 -1.26 -4.93 117.00 119.64 1jfn n LEU 69 Ca 0.00 -4.82 -0.42 0.00 -0.03 0.00 0.00 56.01 50.74 1jfn n LEU 69 Cb 0.00 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 39.67 1jfn n LEU 69 CO 0.00 1.91 0.86 -0.89 -1.33 0.00 0.00 177.39 177.94 1jfn s THR 70 N -0.70 4.40 0.00 -5.08 2.01 -1.26 -4.77 115.64 110.25 1jfn s THR 70 Ca 0.51 1.72 0.00 0.00 0.31 0.00 0.00 61.69 64.23 1jfn s THR 70 Cb 0.16 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1jfn s THR 70 CO -0.07 0.06 0.00 -1.14 -0.69 0.00 0.00 174.62 172.77 1jfn n ARG 71 N 4.63 0.00 -2.68 4.92 0.63 -1.26 -2.89 116.66 120.01 1jfn n ARG 71 Ca 0.09 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 1jfn n ARG 71 Cb 0.48 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.39 1jfn n ARG 71 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1jfn n ASN 72 N -0.21 5.99 -4.54 6.15 4.05 -1.26 -4.03 115.26 121.41 1jfn n ASN 72 Ca 0.00 -3.30 -0.34 0.00 0.45 0.00 0.00 54.58 51.39 1jfn n ASN 72 Cb 0.00 -1.35 -0.11 0.00 1.23 0.00 0.00 39.78 39.54 1jfn n ASN 72 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1jfn s TYR 73 N -1.53 3.09 0.56 1.20 2.02 -1.14 -4.01 117.35 117.53 1jfn s TYR 73 Ca 0.36 -0.18 -0.19 0.00 -0.37 0.00 0.00 57.07 56.68 1jfn s TYR 73 Cb 0.08 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1jfn s TYR 73 CO 0.05 0.03 1.15 0.00 -1.57 0.00 0.00 175.55 175.22 1jfn s ARG 75 N -3.32 1.23 -0.59 0.00 0.52 -1.23 -4.66 118.95 110.90 1jfn s ARG 75 Ca 0.74 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 1jfn s ARG 75 Cb -0.26 0.56 0.20 0.00 0.52 0.00 0.00 34.95 35.97 1jfn s ARG 75 CO 0.29 -0.52 0.52 -1.71 0.02 0.00 0.00 175.30 173.90 1jfn n ASN 76 N -0.31 2.07 -0.02 0.23 5.15 -1.26 -1.77 115.26 119.36 1jfn n ASN 76 Ca -0.17 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1jfn n ASN 76 Cb 0.65 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 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 1.83 0.88 0.00 1.20 -0.04 -1.26 -2.94 135.00 134.66 1jfn n PRO 77 Ca 0.25 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1jfn n PRO 77 Cb 0.41 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.48 0.70 -1.54 3.54 -0.08 -1.26 -5.00 116.55 112.43 1jfn n ASP 78 Ca 0.00 -0.85 -0.12 0.00 -1.51 0.00 0.00 54.79 52.31 1jfn n ASP 78 Cb 0.01 0.74 0.01 0.00 2.34 0.00 0.00 41.12 44.21 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 -0.75 -0.44 -2.28 -1.67 0.00 -1.15 -5.02 120.51 109.20 1jfn n ALA 79 Ca 0.02 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1jfn n ALA 79 Cb 0.14 -1.91 0.14 0.00 0.00 0.00 0.00 19.45 17.82 1jfn n ALA 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jfn n GLU 80 N -2.33 -0.49 -0.38 0.00 4.07 -1.25 -4.85 120.64 115.41 1jfn n GLU 80 Ca -0.10 -2.22 0.31 0.00 -0.06 0.00 0.00 57.16 55.09 1jfn n GLU 80 Cb 0.58 -0.85 0.58 0.00 -0.06 0.00 0.00 31.44 31.69 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 1jfn h ILE 81 N -1.03 0.16 -2.87 6.31 -0.00 -1.93 -3.36 117.51 114.80 1jfn h ILE 81 Ca -0.33 -0.05 -0.00 0.00 -0.00 0.00 0.00 64.86 64.47 1jfn h ILE 81 Cb 1.09 -0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.92 1jfn h ILE 81 CO 0.30 0.03 0.30 -0.24 -0.00 0.00 0.00 178.15 178.54 1jfn n SER 82 N -4.93 -2.08 -4.83 2.16 2.88 -1.26 -3.63 113.62 101.92 1jfn n SER 82 Ca 0.35 -2.40 -0.31 0.00 -1.33 0.00 0.00 58.87 55.18 1jfn n SER 82 Cb 1.25 3.46 0.04 0.00 -0.75 0.00 0.00 64.21 68.21 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 -2.08 3.06 0.44 -1.46 0.04 -1.26 -4.77 135.00 128.97 1jfn s PRO 83 Ca 0.16 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.15 1jfn s PRO 83 Cb -0.04 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1jfn s PRO 83 CO 0.10 -1.01 0.08 -2.67 0.04 0.00 0.00 177.00 173.55 1jfn n TRP 84 N -3.04 0.58 -3.63 0.56 4.27 -0.73 -1.64 117.44 113.81 1jfn n TRP 84 Ca 0.07 -2.50 -0.07 0.00 -3.89 0.00 0.00 57.50 51.11 1jfn n TRP 84 Cb 0.54 -0.15 -0.07 0.00 -1.36 0.00 0.00 31.31 30.27 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 1.78 -3.55 -5.13 0.00 4.01 -1.26 -0.38 117.16 112.63 1jfn n TYR 86 Ca -0.11 -0.71 -0.32 0.00 -0.16 0.00 0.00 57.90 56.61 1jfn n TYR 86 Cb 0.56 -0.94 -0.16 0.00 -0.31 0.00 0.00 39.34 38.49 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 -2.18 2.36 -1.66 -0.72 -4.23 -1.18 -1.21 115.64 106.82 1jfn s THR 87 Ca 0.54 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 1jfn s THR 87 Cb -0.08 -1.89 0.19 0.00 1.34 0.00 0.00 72.50 72.06 1jfn s THR 87 CO 0.44 0.56 1.07 1.15 -0.54 0.00 0.00 174.62 177.31 1jfn n MET 88 N 3.01 0.18 -4.35 3.99 0.00 0.67 -3.88 117.12 116.74 1jfn n MET 88 Ca -0.18 0.12 -0.33 0.00 0.00 0.00 0.00 57.70 57.31 1jfn n MET 88 Cb 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.15 1jfn n MET 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jfn s ASP 89 N -2.34 5.07 0.00 3.17 1.01 -1.26 -4.92 116.67 117.40 1jfn s ASP 89 Ca 0.10 0.02 0.20 0.00 0.71 0.00 0.00 52.55 53.58 1jfn s ASP 89 Cb 0.06 -1.34 1.21 0.00 1.01 0.00 0.00 42.92 43.86 1jfn s ASP 89 CO 0.12 0.31 1.60 -0.81 0.21 0.00 0.00 175.17 176.60 1jfn n PRO 90 N 1.67 0.63 0.00 8.23 -0.04 -1.26 -2.19 135.00 142.04 1jfn n PRO 90 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1jfn n PRO 90 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.01 0.62 -4.05 3.54 3.02 -1.26 -4.85 115.26 111.27 1jfn n ASN 91 Ca 0.15 -0.42 -0.22 0.00 -0.03 0.00 0.00 54.58 54.05 1jfn n ASN 91 Cb 0.07 0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.98 1.01 -0.10 2.41 1.01 -0.93 -5.05 120.40 115.76 1jfn s VAL 92 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1jfn s VAL 92 Cb 0.17 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1jfn s VAL 92 CO 0.73 0.30 0.15 0.03 0.00 0.00 0.00 175.10 176.31 1jfn h ARG 93 N 6.29 -0.03 -2.87 2.72 2.47 -1.89 -3.38 114.38 117.68 1jfn h ARG 93 Ca -0.33 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.47 1jfn h ARG 93 Cb 1.17 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.43 1jfn h ARG 93 CO 0.48 0.11 0.28 1.67 0.56 0.00 0.00 179.97 183.07 1jfn s TRP 94 N -1.77 -0.22 0.02 3.04 1.48 -1.26 -3.11 118.94 117.13 1jfn s TRP 94 Ca -0.03 -0.19 -0.27 0.00 -1.06 0.00 0.00 56.10 54.55 1jfn s TRP 94 Cb -0.00 0.68 0.09 0.00 -1.16 0.00 0.00 33.47 33.08 1jfn s TRP 94 CO 0.11 -1.12 0.78 -1.21 -4.06 0.00 0.00 176.95 171.45 1jfn s GLU 95 N -3.78 0.97 0.87 3.25 2.02 0.49 -4.87 118.70 117.66 1jfn s GLU 95 Ca 0.10 -0.21 -0.12 0.00 0.02 0.00 0.00 54.97 54.76 1jfn s GLU 95 Cb -0.05 0.45 0.11 0.00 0.10 0.00 0.00 34.13 34.75 1jfn s GLU 95 CO 0.04 -0.40 1.11 0.71 0.02 0.00 0.00 175.26 176.74 1jfn s TYR 96 N -2.76 2.57 -0.13 1.61 2.02 -1.26 -0.09 117.35 119.30 1jfn s TYR 96 Ca 0.00 1.06 -0.09 0.00 -0.37 0.00 0.00 57.07 57.67 1jfn s TYR 96 Cb -0.01 -3.23 -0.05 0.00 -0.40 0.00 0.00 41.96 38.28 1jfn s TYR 96 CO -0.06 -2.18 0.19 0.00 -1.57 0.00 0.00 175.55 171.93 1jfn n ASN 98 N 2.54 0.43 -3.86 0.00 3.02 -1.19 -4.66 115.26 111.55 1jfn n ASN 98 Ca -0.17 -1.61 -0.13 0.00 -0.03 0.00 0.00 54.58 52.63 1jfn n ASN 98 Cb 0.54 -1.31 -0.15 0.00 -0.61 0.00 0.00 39.78 38.25 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 10.53 1.78 0.25 3.41 1.43 -1.26 -4.09 118.68 130.73 1jfn s LEU 99 Ca 0.82 -0.00 0.10 0.00 -1.03 0.00 0.00 54.13 54.01 1jfn s LEU 99 Cb -0.22 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1jfn s LEU 99 CO 0.19 -0.02 -0.05 0.42 0.23 0.00 0.00 176.35 177.12 1jfn s THR 100 N 0.25 3.29 -0.90 5.49 -4.23 -1.05 -4.70 115.64 113.79 1jfn s THR 100 Ca -0.02 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.34 1jfn s THR 100 Cb -0.03 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1jfn s THR 100 CO -0.01 -0.31 1.97 -1.58 -0.54 0.00 0.00 174.62 174.15 1jfn s GLN 101 N -3.45 2.50 -0.56 3.99 0.74 -1.26 0.29 119.66 121.91 1jfn s GLN 101 Ca 0.30 -0.26 -0.36 0.00 0.05 0.00 0.00 55.36 55.09 1jfn s GLN 101 Cb -0.07 -5.05 -0.16 0.00 1.10 0.00 0.00 33.01 28.83 1jfn s GLN 101 CO 0.18 -3.46 2.31 0.00 -0.55 0.00 0.00 175.29 173.78 1jfn s PRO 103 N 6.95 3.84 0.00 0.00 0.04 -1.26 -4.80 135.00 139.77 1jfn s PRO 103 Ca 1.18 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1jfn s PRO 103 Cb -1.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1jfn s PRO 103 CO 0.53 -0.43 0.00 1.55 0.04 0.00 0.00 177.00 178.69 1jfn n VAL 104 N -0.64 0.00 -4.38 -0.36 3.14 -1.26 -5.01 118.33 109.81 1jfn n VAL 104 Ca 0.08 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.12 1jfn n VAL 104 Cb 0.50 -0.64 -0.14 0.00 -1.06 0.00 0.00 33.84 32.50 1jfn n VAL 104 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1jfn s THR 105 N -0.42 3.14 -0.35 1.55 -1.32 -1.26 -4.82 115.64 112.16 1jfn s THR 105 Ca 0.00 -0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 59.67 1jfn s THR 105 Cb 0.00 -2.36 0.03 0.00 -1.51 0.00 0.00 72.50 68.66 1jfn s THR 105 CO 0.00 0.49 0.44 1.21 -2.21 0.00 0.00 174.62 174.55 1jfn n GLU 106 N 4.07 -2.02 -2.45 7.08 4.07 -1.26 -4.83 120.64 125.31 1jfn n GLU 106 Ca -0.18 1.73 -0.43 0.00 -0.06 0.00 0.00 57.16 58.22 1jfn n GLU 106 Cb 0.52 -3.47 -0.02 0.00 -0.06 0.00 0.00 31.44 28.41 1jfn n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1jfn s SER 107 N -1.77 6.86 0.33 4.31 1.04 -1.26 -4.98 113.70 118.23 1jfn s SER 107 Ca 0.23 1.48 -0.11 0.00 0.48 0.00 0.00 55.95 58.03 1jfn s SER 107 Cb -0.04 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1jfn s SER 107 CO 0.69 -0.87 0.62 -0.44 0.98 0.00 0.00 173.24 174.21 1jfn s SER 108 N 2.20 0.27 0.00 7.02 0.01 -1.26 -5.18 113.70 116.76 1jfn s SER 108 Ca 0.54 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1jfn s SER 108 Cb -0.19 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1jfn s SER 108 CO 0.17 -1.42 0.00 1.33 0.41 0.00 0.00 173.24 173.73 1jfn n VAL 109 N -0.51 0.00 -1.27 3.43 0.24 -1.26 -5.17 118.33 113.79 1jfn n VAL 109 Ca -0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.23 1jfn n VAL 109 Cb 0.61 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.00 1jfn n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jfn n LEU 110 N 0.00 0.00 0.03 1.34 -0.00 -1.26 -5.07 117.00 112.04 1jfn n LEU 110 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1jfn n LEU 110 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1jfn n LEU 110 CO 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 177.39 176.77 1jfn n ALA 111 N -3.10 3.00 -3.70 1.47 0.00 -1.26 -5.09 120.51 111.82 1jfn n ALA 111 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1jfn n ALA 111 Cb 0.08 0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 1jfn n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jfn s THR 112 N -1.43 -0.18 0.00 0.00 -4.23 -1.26 -4.98 115.64 103.55 1jfn s THR 112 Ca 0.00 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1jfn s THR 112 Cb 0.00 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1jfn s THR 112 CO 0.00 0.10 0.18 -1.54 -0.54 0.00 0.00 174.62 172.82 1jfn n SER 113 N 4.78 0.00 0.08 3.99 3.41 -1.26 -4.96 113.62 119.66 1jfn n SER 113 Ca -0.16 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1jfn n SER 113 Cb 0.51 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1jfn n SER 113 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jfn n THR 114 N -1.00 0.39 0.12 6.66 -1.04 -1.26 -5.07 114.28 113.08 1jfn n THR 114 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1jfn n THR 114 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfn n ALA 115 N -3.29 2.54 -1.39 2.41 0.00 -1.26 -5.12 120.51 114.40 1jfn n ALA 115 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1jfn n ALA 115 Cb 0.06 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.71 1.73 -0.14 0.00 -7.23 -1.26 -5.00 120.40 106.79 1jfn s VAL 116 Ca 0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.99 1jfn s VAL 116 Cb 0.00 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1jfn s VAL 116 CO 0.00 0.00 0.48 -0.55 -0.31 0.00 0.00 175.10 174.72 1jfn s SER 117 N -4.28 6.65 -1.42 4.85 0.15 -1.26 -4.56 113.70 113.83 1jfn s SER 117 Ca 0.72 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 58.01 1jfn s SER 117 Cb -0.07 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.01 1jfn s SER 117 CO 0.55 -0.04 2.13 1.21 1.20 0.00 0.00 173.24 178.29 1jfn n GLU 118 N 3.94 2.97 0.00 5.44 2.13 -1.26 -5.10 120.64 128.76 1jfn n GLU 118 Ca -0.07 -2.78 0.08 0.00 0.66 0.00 0.00 57.16 55.05 1jfn n GLU 118 Cb 0.51 -3.28 0.47 0.00 0.27 0.00 0.00 31.44 29.42 1jfn n GLU 118 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76