#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 1.14 0.00 0.00 1.74 -1.26 -4.85 116.66 113.43 1jfn n ARG 2 Ca 0.00 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 1jfn n ARG 2 Cb 0.00 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1jfn n ARG 2 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1jfn n ILE 3 N 1.65 0.00 0.00 0.55 -0.00 -1.26 -5.03 119.36 115.28 1jfn n ILE 3 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.00 1jfn n ILE 3 Cb 0.47 -0.71 0.00 0.00 -0.00 0.00 0.00 39.64 39.41 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 -1.70 0.00 -1.99 1.39 -0.00 -1.26 -5.15 115.22 106.51 1jfn n HIS 4 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 1jfn n HIS 4 Cb 0.38 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.39 1jfn n HIS 4 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jfn n HIS 5 N 0.00 -3.69 -2.98 1.57 -0.00 -1.26 -5.08 115.22 103.78 1jfn n HIS 5 Ca 0.00 -1.09 -0.09 0.00 -0.00 0.00 0.00 57.72 56.53 1jfn n HIS 5 Cb 0.00 -0.75 -0.02 0.00 -0.00 0.00 0.00 29.99 29.22 1jfn n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1jfn s HIS 6 N -3.05 -0.96 -0.85 4.41 3.76 -1.26 -4.84 115.29 112.50 1jfn s HIS 6 Ca 0.58 -0.89 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1jfn s HIS 6 Cb -0.02 0.00 0.28 0.00 1.11 0.00 0.00 32.58 33.95 1jfn s HIS 6 CO 0.40 -1.15 1.10 1.58 -0.85 0.00 0.00 174.74 175.82 1jfn n HIS 7 N 3.14 2.98 -1.59 1.40 -0.00 -1.26 -4.99 115.22 114.89 1jfn n HIS 7 Ca 0.20 -3.40 0.00 0.00 -0.00 0.00 0.00 57.72 54.51 1jfn n HIS 7 Cb 0.54 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 1jfn n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jfn n HIS 8 N 1.06 0.00 -0.66 1.57 -0.00 -1.26 -5.13 115.22 110.79 1jfn n HIS 8 Ca 0.28 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.70 1jfn n HIS 8 Cb 0.37 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.55 1jfn n HIS 8 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1jfn s HIS 9 N 1.22 1.55 -0.04 1.57 -3.43 -1.26 -5.05 115.29 109.86 1jfn s HIS 9 Ca 0.00 1.60 -0.05 0.00 -0.80 0.00 0.00 55.06 55.81 1jfn s HIS 9 Cb 0.00 -3.26 0.01 0.00 -1.43 0.00 0.00 32.58 27.90 1jfn s HIS 9 CO 0.00 -3.14 0.13 -1.50 -2.00 0.00 0.00 174.74 168.23 1jfn s ILE 10 N -2.59 0.01 -0.07 -5.38 1.10 -1.26 -5.15 121.20 107.85 1jfn s ILE 10 Ca 0.67 -0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.72 1jfn s ILE 10 Cb -0.23 -0.22 -0.03 0.00 0.15 0.00 0.00 42.46 42.13 1jfn s ILE 10 CO 0.60 -0.06 -0.09 -1.83 -2.11 0.00 0.00 174.94 171.45 1jfn s GLU 11 N -0.14 2.77 0.17 3.50 -1.05 -1.26 -5.01 118.70 117.68 1jfn s GLU 11 Ca -0.02 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1jfn s GLU 11 Cb -0.02 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1jfn s GLU 11 CO 0.00 0.61 0.00 0.41 0.95 0.00 0.00 175.26 177.23 1jfn n GLY 12 N 2.39 -2.50 0.00 -3.83 0.00 -1.26 -4.98 105.19 95.01 1jfn n GLY 12 Ca -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.90 1.70 -2.55 1.61 1.85 -1.26 -4.96 116.66 110.15 1jfn n ARG 13 Ca -0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.40 1jfn n ARG 13 Cb 0.21 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.60 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 -3.51 3.30 -1.14 2.89 0.00 -1.26 -4.93 121.76 117.12 1jfn s ALA 14 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1jfn s ALA 14 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1jfn s ALA 14 CO 0.00 -1.91 1.89 -1.25 0.00 0.00 0.00 175.76 174.49 1jfn s PRO 15 N 4.17 2.74 0.02 0.00 0.04 -1.26 -4.88 135.00 135.82 1jfn s PRO 15 Ca 0.50 -1.11 -0.12 0.00 0.04 0.00 0.00 61.00 60.31 1jfn s PRO 15 Cb -0.11 -5.25 0.01 0.00 0.04 0.00 0.00 34.50 29.19 1jfn s PRO 15 CO 0.24 -3.59 0.25 0.99 0.04 0.00 0.00 177.00 174.93 1jfn s THR 16 N 9.76 0.08 1.01 1.26 2.01 -1.26 -5.14 115.64 123.36 1jfn s THR 16 Ca 0.66 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 1jfn s THR 16 Cb -0.01 -0.73 -0.11 0.00 0.01 0.00 0.00 72.50 71.65 1jfn s THR 16 CO 0.09 -0.37 -0.86 1.21 -0.69 0.00 0.00 174.62 174.01 1jfn n GLU 17 N 0.99 -0.25 -2.71 4.92 2.13 -1.26 -4.96 120.64 119.50 1jfn n GLU 17 Ca -0.20 -0.07 -0.07 0.00 0.66 0.00 0.00 57.16 57.47 1jfn n GLU 17 Cb 0.57 -1.19 0.11 0.00 0.27 0.00 0.00 31.44 31.20 1jfn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jfn n GLN 18 N 1.40 1.11 -3.08 5.31 10.64 -1.26 -5.11 117.38 126.39 1jfn n GLN 18 Ca -0.01 -1.82 -0.41 0.00 -1.83 0.00 0.00 57.00 52.94 1jfn n GLN 18 Cb 0.64 -0.33 -0.06 0.00 -0.86 0.00 0.00 30.24 29.63 1jfn n GLN 18 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1jfn s SER 19 N -1.19 6.55 -0.73 2.61 0.15 -1.26 -4.99 113.70 114.84 1jfn s SER 19 Ca 0.22 0.54 -0.26 0.00 0.70 0.00 0.00 55.95 57.15 1jfn s SER 19 Cb 0.36 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1jfn s SER 19 CO -0.08 -0.48 1.61 -2.16 1.20 0.00 0.00 173.24 173.34 1jfn s PRO 20 N 2.64 2.92 0.00 5.44 0.04 -1.26 -4.42 135.00 140.36 1jfn s PRO 20 Ca 0.27 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1jfn s PRO 20 Cb -0.15 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1jfn s PRO 20 CO 0.11 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1jfn n GLY 21 N 5.80 0.04 3.03 0.56 0.00 -1.26 -5.17 105.19 108.20 1jfn n GLY 21 Ca 0.17 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.75 0.00 1.61 0.11 -1.26 -5.00 120.40 116.61 1jfn s VAL 22 Ca 0.00 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1jfn s VAL 22 Cb 0.00 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1jfn s VAL 22 CO 0.00 0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.96 1jfn n GLN 23 N 2.78 0.00 -1.53 1.54 10.64 -1.26 -5.08 117.38 124.47 1jfn n GLN 23 Ca -0.14 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.71 1jfn n GLN 23 Cb 0.57 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.85 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1jfn n ASP 24 N 0.00 1.22 -3.51 2.61 5.68 -1.25 -4.82 116.55 116.48 1jfn n ASP 24 Ca 0.00 -0.48 -0.10 0.00 -0.50 0.00 0.00 54.79 53.70 1jfn n ASP 24 Cb 0.00 -1.29 -0.02 0.00 -1.14 0.00 0.00 41.12 38.67 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jfn s TYR 26 N -3.66 0.05 0.00 0.00 -0.85 0.15 -4.49 117.35 108.56 1jfn s TYR 26 Ca 0.04 -0.65 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1jfn s TYR 26 Cb -0.02 0.80 0.00 0.00 0.38 0.00 0.00 41.96 43.12 1jfn s TYR 26 CO -0.09 -1.44 0.00 1.58 -1.52 0.00 0.00 175.55 174.09 1jfn n HIS 27 N -0.53 0.00 0.00 -3.49 -0.00 -1.24 0.32 115.22 110.28 1jfn n HIS 27 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1jfn n HIS 27 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1jfn n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jfn n GLY 28 N 5.00 -0.71 2.72 1.57 0.00 -1.26 -4.40 105.19 108.11 1jfn n GLY 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.53 0.00 1.61 8.00 -1.26 -4.80 116.55 123.62 1jfn n ASP 29 Ca 0.00 -3.50 0.00 0.00 0.71 0.00 0.00 54.79 52.00 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 -0.12 0.42 3.76 0.44 0.00 -1.24 -3.66 105.19 104.79 1jfn n GLY 30 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.67 4.76 0.00 1.61 -1.52 -1.26 -3.22 119.66 119.36 1jfn s GLN 31 Ca 0.00 1.40 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 1jfn s GLN 31 Cb 0.00 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 1jfn s GLN 31 CO 0.00 0.48 0.00 0.45 -0.25 0.00 0.00 175.29 175.97 1jfn n SER 32 N 1.31 -2.16 -4.51 5.90 2.88 -1.26 -4.54 113.62 111.23 1jfn n SER 32 Ca -0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.38 1jfn n SER 32 Cb 0.48 -1.64 -0.11 0.00 -0.75 0.00 0.00 64.21 62.18 1jfn n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfn n TYR 33 N -2.23 0.76 -1.94 0.66 9.36 -1.20 -4.85 117.16 117.72 1jfn n TYR 33 Ca 0.00 -0.03 -0.42 0.00 3.32 0.00 0.00 57.90 60.77 1jfn n TYR 33 Cb 0.12 -1.95 -0.03 0.00 -0.63 0.00 0.00 39.34 36.86 1jfn n TYR 33 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1jfn s ARG 34 N 8.16 4.21 0.00 2.98 1.81 -1.26 -4.82 118.95 130.03 1jfn s ARG 34 Ca 0.97 2.34 0.00 0.00 -1.72 0.00 0.00 55.73 57.32 1jfn s ARG 34 Cb -0.30 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 30.84 1jfn s ARG 34 CO 0.22 -0.66 0.00 0.41 -0.68 0.00 0.00 175.30 174.59 1jfn n GLY 35 N 3.86 3.91 2.94 -3.53 0.00 -1.26 -4.96 105.19 106.16 1jfn n GLY 35 Ca 0.15 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 6.49 -3.62 1.61 3.41 -1.26 -4.67 113.62 115.58 1jfn n SER 36 Ca 0.00 -3.45 -0.42 0.00 -0.26 0.00 0.00 58.87 54.73 1jfn n SER 36 Cb 0.00 -1.24 -0.10 0.00 -0.26 0.00 0.00 64.21 62.61 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 1.13 0.62 -0.16 7.33 -0.00 -1.26 -4.55 117.46 120.56 1jfn n PHE 37 Ca 0.29 -0.85 -0.01 0.00 -0.00 0.00 0.00 57.45 56.87 1jfn n PHE 37 Cb 0.32 -1.15 -0.02 0.00 -0.00 0.00 0.00 39.48 38.63 1jfn n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1jfn n SER 38 N 9.34 1.13 -3.72 -2.13 3.41 -1.24 -3.41 113.62 117.00 1jfn n SER 38 Ca 0.47 -1.49 -0.17 0.00 -0.26 0.00 0.00 58.87 57.42 1jfn n SER 38 Cb 0.42 -0.27 -0.17 0.00 -0.26 0.00 0.00 64.21 63.93 1jfn n SER 38 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jfn s THR 39 N 2.05 -0.09 0.98 6.66 -4.23 -1.25 -3.88 115.64 115.87 1jfn s THR 39 Ca 0.07 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.74 1jfn s THR 39 Cb 0.03 -0.13 0.20 0.00 1.34 0.00 0.00 72.50 73.94 1jfn s THR 39 CO 0.00 0.13 1.27 0.42 -0.54 0.00 0.00 174.62 175.90 1jfn s THR 40 N 1.63 1.94 0.61 3.99 -4.23 -1.25 -3.53 115.64 114.80 1jfn s THR 40 Ca -0.02 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.75 1jfn s THR 40 Cb -0.12 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.16 1jfn s THR 40 CO -0.03 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.30 1jfn h VAL 41 N -1.72 0.18 0.00 2.29 2.07 -0.75 1.03 116.25 119.35 1jfn h VAL 41 Ca -0.45 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1jfn h VAL 41 Cb 1.26 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1jfn h VAL 41 CO 0.41 0.00 -1.13 0.41 0.02 0.00 0.00 177.57 177.28 1jfn n THR 42 N -3.38 0.75 0.00 2.57 -1.04 -1.26 -4.76 114.28 107.16 1jfn n THR 42 Ca 0.10 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1jfn n THR 42 Cb 0.89 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 1.24 1.35 0.00 3.41 0.00 0.36 -5.10 105.19 106.44 1jfn n GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.43 1.08 -0.48 1.61 5.12 -1.26 -4.64 116.66 116.66 1jfn n ARG 44 Ca 0.00 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 1jfn n ARG 44 Cb 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 32.46 31.49 1jfn n ARG 44 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1jfn n THR 45 N -0.40 2.06 0.00 0.55 5.66 -1.25 -3.83 114.28 117.07 1jfn n THR 45 Ca 0.00 -2.93 0.00 0.00 -3.05 0.00 0.00 64.05 58.07 1jfn n THR 45 Cb 0.00 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 1jfn n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jfn n GLN 47 N 1.39 2.04 -1.17 0.00 -0.06 0.69 -4.46 117.38 115.81 1jfn n GLN 47 Ca 0.00 0.73 -0.37 0.00 -2.00 0.00 0.00 57.00 55.36 1jfn n GLN 47 Cb 0.00 -2.64 0.03 0.00 -4.06 0.00 0.00 30.24 23.57 1jfn n GLN 47 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1jfn n SER 48 N 7.12 -3.73 0.22 1.69 7.64 -1.26 -4.11 113.62 121.18 1jfn n SER 48 Ca 0.25 0.50 0.07 0.00 1.01 0.00 0.00 58.87 60.69 1jfn n SER 48 Cb 0.29 -0.92 0.50 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.40 0.00 0.00 1.43 4.06 -1.69 -1.74 115.95 117.61 1jfn h TRP 49 Ca -0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.52 1jfn h TRP 49 Cb 1.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.54 1jfn h TRP 49 CO 0.25 0.26 0.00 0.45 -3.56 0.00 0.00 178.44 175.85 1jfn n SER 50 N -3.85 0.06 -4.64 -3.49 2.88 -1.26 -4.48 113.62 98.83 1jfn n SER 50 Ca -0.02 -1.79 -0.43 0.00 -1.33 0.00 0.00 58.87 55.31 1jfn n SER 50 Cb 0.35 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.04 6.60 -0.16 -3.46 1.04 -0.65 -4.85 113.70 111.16 1jfn s SER 51 Ca 0.00 1.78 0.16 0.00 0.48 0.00 0.00 55.95 58.38 1jfn s SER 51 Cb 0.00 -2.53 0.35 0.00 0.10 0.00 0.00 66.02 63.94 1jfn s SER 51 CO 0.00 -1.05 1.21 0.23 0.98 0.00 0.00 173.24 174.61 1jfn n MET 52 N 7.27 1.53 -0.02 4.02 2.81 -1.26 -4.46 117.12 127.01 1jfn n MET 52 Ca 0.17 -2.81 -0.03 0.00 -1.81 0.00 0.00 57.70 53.22 1jfn n MET 52 Cb 0.45 -1.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.26 0.47 0.00 2.03 -2.24 -1.26 -4.82 114.28 107.19 1jfn n THR 53 Ca 0.18 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 1jfn n THR 53 Cb 0.69 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.09 0.00 -3.13 -0.78 -0.04 -1.26 -4.75 135.00 121.95 1jfn n PRO 54 Ca -0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 1jfn n PRO 54 Cb 0.15 -0.16 -0.07 0.00 -0.04 0.00 0.00 33.50 33.38 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 3.14 -0.03 0.54 3.76 -1.26 -5.05 115.29 116.39 1jfn s HIS 55 Ca 0.00 0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 55.02 1jfn s HIS 55 Cb 0.00 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 1jfn s HIS 55 CO 0.00 -0.66 0.35 -0.46 -0.85 0.00 0.00 174.74 173.13 1jfn s TRP 56 N 2.68 3.69 0.03 1.40 -0.11 -1.26 -4.63 118.94 120.73 1jfn s TRP 56 Ca 0.23 0.89 -0.00 0.00 1.22 0.00 0.00 56.10 58.44 1jfn s TRP 56 Cb -0.15 -2.23 0.00 0.00 -1.50 0.00 0.00 33.47 29.59 1jfn s TRP 56 CO 0.15 0.64 0.04 -2.39 -4.62 0.00 0.00 176.95 170.77 1jfn n HIS 57 N 1.95 -0.56 -1.74 5.86 1.44 -1.26 -5.07 115.22 115.85 1jfn n HIS 57 Ca -0.15 -0.18 0.05 0.00 -2.01 0.00 0.00 57.72 55.43 1jfn n HIS 57 Cb 0.53 0.05 0.10 0.00 0.12 0.00 0.00 29.99 30.78 1jfn n HIS 57 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1jfn n GLN 58 N -0.05 0.77 -0.75 -1.40 7.27 -1.26 -4.76 117.38 117.20 1jfn n GLN 58 Ca -0.00 -2.24 -0.02 0.00 0.07 0.00 0.00 57.00 54.81 1jfn n GLN 58 Cb 0.05 -0.96 0.24 0.00 2.41 0.00 0.00 30.24 31.97 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1jfn n ARG 59 N -0.59 2.61 -0.55 3.69 5.12 -1.26 -4.87 116.66 120.81 1jfn n ARG 59 Ca 0.11 -3.03 -0.20 0.00 -1.93 0.00 0.00 57.85 52.79 1jfn n ARG 59 Cb 0.77 -1.93 0.15 0.00 -1.16 0.00 0.00 32.46 30.29 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 -0.73 0.00 0.68 0.55 5.66 -1.26 -4.74 114.28 114.43 1jfn n THR 60 Ca 0.33 -0.07 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 1jfn n THR 60 Cb 1.11 -0.50 0.47 0.00 -1.55 0.00 0.00 70.33 69.86 1jfn n THR 60 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jfn n THR 61 N -4.42 0.51 0.23 1.09 -2.24 -1.26 -2.45 114.28 105.74 1jfn n THR 61 Ca 0.05 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1jfn n THR 61 Cb 0.40 -0.72 0.51 0.00 -2.10 0.00 0.00 70.33 68.42 1jfn n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jfn h GLU 62 N 0.00 0.00 -0.15 -0.78 4.81 -1.98 -1.24 114.58 115.25 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jfn h GLU 62 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jfn h GLU 62 CO 0.00 0.23 0.00 0.66 -0.73 0.00 0.00 179.01 179.17 1jfn n TYR 63 N -3.50 0.16 -2.89 0.92 4.02 -1.02 -4.61 117.16 110.24 1jfn n TYR 63 Ca -0.01 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 1jfn n TYR 63 Cb 0.39 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.73 1jfn n TYR 63 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jfn n TYR 64 N 1.31 -2.34 1.50 -0.72 4.01 -0.54 -4.95 117.16 115.44 1jfn n TYR 64 Ca 0.15 -2.37 0.10 0.00 -0.16 0.00 0.00 57.90 55.62 1jfn n TYR 64 Cb 0.57 0.97 0.61 0.00 -0.31 0.00 0.00 39.34 41.18 1jfn n TYR 64 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jfn n PRO 65 N 1.39 0.75 0.00 -0.72 -0.04 -0.79 -2.96 135.00 132.63 1jfn n PRO 65 Ca 0.13 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 1jfn n PRO 65 Cb 0.61 -1.43 0.57 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.93 0.37 -0.11 3.54 5.03 -1.26 -3.97 115.26 117.93 1jfn n ASN 66 Ca 0.16 -0.31 -0.23 0.00 0.87 0.00 0.00 54.58 55.06 1jfn n ASN 66 Cb 0.07 -0.11 -0.11 0.00 -1.02 0.00 0.00 39.78 38.60 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfn n GLY 67 N 1.35 -0.76 1.03 7.41 0.00 -1.15 -5.01 105.19 108.06 1jfn n GLY 67 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.44 1.15 1.09 -0.02 0.00 -1.26 -4.97 105.19 102.62 1jfn n GLY 68 Ca -0.36 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1jfn n GLY 68 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jfn n LEU 69 N -0.01 3.94 -4.39 0.99 -0.00 -1.26 -4.95 117.00 111.32 1jfn n LEU 69 Ca 0.00 -3.81 -0.37 0.00 -0.00 0.00 0.00 56.01 51.84 1jfn n LEU 69 Cb 0.26 -0.62 0.05 0.00 -0.00 0.00 0.00 43.42 43.11 1jfn n LEU 69 CO 0.00 1.29 -0.17 1.07 -0.00 0.00 0.00 177.39 179.58 1jfn n THR 70 N -1.12 1.37 -4.75 1.47 5.66 -1.26 -3.29 114.28 112.35 1jfn n THR 70 Ca 0.31 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1jfn n THR 70 Cb 0.99 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1jfn n THR 70 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1jfn n ARG 71 N -0.04 0.00 -3.01 1.09 0.63 -1.26 -3.53 116.66 110.54 1jfn n ARG 71 Ca 0.09 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.58 1jfn n ARG 71 Cb 0.50 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.41 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 -0.52 5.90 -4.39 6.15 4.05 -1.26 -2.05 115.26 123.14 1jfn n ASN 72 Ca 0.00 -3.23 -0.32 0.00 0.45 0.00 0.00 54.58 51.47 1jfn n ASN 72 Cb 0.00 -1.35 -0.14 0.00 1.23 0.00 0.00 39.78 39.51 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 -1.60 2.66 -0.19 1.20 2.02 -1.21 -3.72 117.35 116.51 1jfn s TYR 73 Ca 0.33 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 1jfn s TYR 73 Cb 0.01 -1.68 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1jfn s TYR 73 CO 0.03 -0.03 1.14 0.00 -1.57 0.00 0.00 175.55 175.12 1jfn s ARG 75 N 3.29 1.26 -0.41 0.00 3.00 -1.26 -4.52 118.95 120.32 1jfn s ARG 75 Ca 0.49 -1.67 0.02 0.00 0.00 0.00 0.00 55.73 54.58 1jfn s ARG 75 Cb -0.18 0.10 0.15 0.00 0.00 0.00 0.00 34.95 35.02 1jfn s ARG 75 CO 0.10 -0.35 0.28 1.21 0.00 0.00 0.00 175.30 176.54 1jfn s ASN 76 N -3.21 2.55 0.00 0.23 2.47 -1.26 -0.53 114.94 115.19 1jfn s ASN 76 Ca 0.38 -2.68 0.24 0.00 0.42 0.00 0.00 52.86 51.22 1jfn s ASN 76 Cb 0.07 -0.56 1.41 0.00 -1.45 0.00 0.00 41.25 40.72 1jfn s ASN 76 CO 0.12 -0.24 1.80 -0.81 -3.72 0.00 0.00 177.10 174.25 1jfn n PRO 77 N 3.39 0.79 -0.00 0.43 -0.04 -1.26 -2.74 135.00 135.57 1jfn n PRO 77 Ca 0.19 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1jfn n PRO 77 Cb 0.41 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.97 1.23 -1.51 3.54 -0.08 -1.26 -5.00 116.55 112.51 1jfn n ASP 78 Ca 0.18 -0.46 -0.11 0.00 -1.51 0.00 0.00 54.79 52.88 1jfn n ASP 78 Cb 0.08 1.23 0.01 0.00 2.34 0.00 0.00 41.12 44.78 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 -1.55 -0.43 -1.38 -1.67 0.00 -1.11 -5.02 120.51 109.35 1jfn n ALA 79 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 1jfn n ALA 79 Cb 0.24 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 17.83 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 -2.29 -0.25 -0.42 0.00 2.13 -1.24 -4.71 120.64 113.86 1jfn n GLU 80 Ca -0.09 -0.56 0.35 0.00 0.66 0.00 0.00 57.16 57.52 1jfn n GLU 80 Cb 0.58 -0.34 0.63 0.00 0.27 0.00 0.00 31.44 32.58 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 1jfn h ILE 81 N -1.11 0.17 -2.86 6.31 -0.00 -1.94 -3.35 117.51 114.73 1jfn h ILE 81 Ca -0.11 -0.04 0.02 0.00 -0.00 0.00 0.00 64.86 64.73 1jfn h ILE 81 Cb 0.31 0.04 -0.00 0.00 -0.00 0.00 0.00 36.82 37.17 1jfn h ILE 81 CO 0.08 0.02 0.36 -1.20 -0.00 0.00 0.00 178.15 177.42 1jfn n SER 82 N -4.70 -2.13 -4.86 2.16 7.64 -1.26 -3.66 113.62 106.82 1jfn n SER 82 Ca 0.36 -2.39 -0.29 0.00 1.01 0.00 0.00 58.87 57.55 1jfn n SER 82 Cb 1.36 3.53 0.08 0.00 -1.01 0.00 0.00 64.21 68.16 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jfn s PRO 83 N -2.08 2.15 0.26 1.43 0.04 -1.26 -4.76 135.00 130.79 1jfn s PRO 83 Ca 0.18 0.35 -0.15 0.00 0.04 0.00 0.00 61.00 61.41 1jfn s PRO 83 Cb -0.04 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1jfn s PRO 83 CO 0.10 -1.51 0.56 1.67 0.04 0.00 0.00 177.00 177.86 1jfn s TRP 84 N -3.38 0.20 -0.01 0.56 1.48 0.31 -0.14 118.94 117.95 1jfn s TRP 84 Ca 0.61 -0.59 -0.29 0.00 -1.06 0.00 0.00 56.10 54.76 1jfn s TRP 84 Cb -0.12 0.36 0.10 0.00 -1.16 0.00 0.00 33.47 32.66 1jfn s TRP 84 CO 0.52 -1.09 1.00 0.00 -4.06 0.00 0.00 176.95 173.32 1jfn s TYR 86 N -2.95 1.67 -0.05 0.00 2.02 -1.26 -0.86 117.35 115.93 1jfn s TYR 86 Ca 0.08 1.60 -0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1jfn s TYR 86 Cb -0.01 -3.25 -0.04 0.00 -0.40 0.00 0.00 41.96 38.27 1jfn s TYR 86 CO -0.06 -2.96 0.09 0.95 -1.57 0.00 0.00 175.55 172.00 1jfn s THR 87 N -2.64 4.89 -1.64 -0.71 -4.23 -1.16 0.25 115.64 110.40 1jfn s THR 87 Ca 0.66 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1jfn s THR 87 Cb -0.23 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1jfn s THR 87 CO 0.59 0.45 0.63 0.80 -0.54 0.00 0.00 174.62 176.55 1jfn n MET 88 N 1.51 0.76 -4.95 3.99 1.56 -1.26 -3.78 117.12 114.95 1jfn n MET 88 Ca -0.15 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.00 1jfn n MET 88 Cb 0.53 -1.14 -0.15 0.00 2.15 0.00 0.00 33.22 34.61 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 -0.87 2.71 0.00 6.12 1.11 -1.26 -4.94 116.67 119.53 1jfn s ASP 89 Ca 0.00 -0.47 0.16 0.00 0.18 0.00 0.00 52.55 52.42 1jfn s ASP 89 Cb 0.00 -0.27 0.90 0.00 1.07 0.00 0.00 42.92 44.62 1jfn s ASP 89 CO 0.00 0.24 1.43 -0.81 1.18 0.00 0.00 175.17 177.21 1jfn n PRO 90 N 2.20 0.38 0.03 8.23 -0.04 -1.26 -1.91 135.00 142.63 1jfn n PRO 90 Ca -0.16 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1jfn n PRO 90 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.14 0.58 -4.04 3.54 5.15 -1.26 -4.83 115.26 113.26 1jfn n ASN 91 Ca 0.10 -0.02 -0.21 0.00 -0.60 0.00 0.00 54.58 53.86 1jfn n ASN 91 Cb 0.09 0.19 -0.15 0.00 -0.53 0.00 0.00 39.78 39.38 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jfn s VAL 92 N -3.10 0.89 -0.16 3.44 1.01 -0.80 -5.04 120.40 116.64 1jfn s VAL 92 Ca 0.08 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1jfn s VAL 92 Cb 0.15 -0.76 -0.23 0.00 0.00 0.00 0.00 36.38 35.54 1jfn s VAL 92 CO 0.71 0.26 0.38 -0.09 0.00 0.00 0.00 175.10 176.36 1jfn h ARG 93 N 6.09 0.11 -2.67 2.72 9.65 -1.88 -3.38 114.38 125.03 1jfn h ARG 93 Ca -0.33 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1jfn h ARG 93 Cb 1.17 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 29.68 1jfn h ARG 93 CO 0.49 1.09 0.23 1.67 2.80 0.00 0.00 179.97 186.25 1jfn s TRP 94 N -2.42 -0.55 0.16 2.20 1.48 -1.26 -3.01 118.94 115.54 1jfn s TRP 94 Ca -0.24 0.53 -0.11 0.00 -1.06 0.00 0.00 56.10 55.21 1jfn s TRP 94 Cb 0.05 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.88 1jfn s TRP 94 CO 0.68 -0.76 0.33 -1.21 -4.06 0.00 0.00 176.95 171.93 1jfn s GLU 95 N -3.01 1.16 0.59 3.25 2.02 -0.04 -4.86 118.70 117.81 1jfn s GLU 95 Ca -0.02 -1.05 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 1jfn s GLU 95 Cb -0.01 0.41 0.13 0.00 0.10 0.00 0.00 34.13 34.76 1jfn s GLU 95 CO -0.07 -0.44 0.80 0.66 0.02 0.00 0.00 175.26 176.23 1jfn n TYR 96 N -0.22 -3.72 -4.25 1.61 4.01 -1.26 -0.43 117.16 112.90 1jfn n TYR 96 Ca -0.09 -0.88 -0.34 0.00 -0.16 0.00 0.00 57.90 56.43 1jfn n TYR 96 Cb 0.63 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 38.97 1jfn n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jfn n ASN 98 N 1.59 3.20 -3.79 0.00 3.02 -1.23 -4.56 115.26 113.49 1jfn n ASN 98 Ca -0.16 -2.71 -0.13 0.00 -0.03 0.00 0.00 54.58 51.55 1jfn n ASN 98 Cb 0.53 -1.74 -0.12 0.00 -0.61 0.00 0.00 39.78 37.84 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 10.52 1.13 0.24 3.41 1.43 -1.26 -3.89 118.68 130.26 1jfn s LEU 99 Ca 0.67 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 1jfn s LEU 99 Cb -0.00 0.65 -0.04 0.00 0.03 0.00 0.00 46.19 46.84 1jfn s LEU 99 CO 0.13 -0.08 0.20 0.42 0.23 0.00 0.00 176.35 177.25 1jfn s THR 100 N 0.30 4.51 -0.85 5.49 -4.23 -1.13 -4.67 115.64 115.06 1jfn s THR 100 Ca -0.02 -1.33 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1jfn s THR 100 Cb -0.03 -3.42 -0.20 0.00 1.34 0.00 0.00 72.50 70.19 1jfn s THR 100 CO -0.01 -0.32 2.33 1.67 -0.54 0.00 0.00 174.62 177.75 1jfn n GLN 101 N -1.09 0.39 -3.76 3.99 7.27 -1.26 0.34 117.38 123.27 1jfn n GLN 101 Ca -0.08 -0.63 -0.36 0.00 0.07 0.00 0.00 57.00 56.00 1jfn n GLN 101 Cb 0.57 -2.95 -0.10 0.00 2.41 0.00 0.00 30.24 30.17 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jfn n PRO 103 N 4.31 -0.94 -4.08 0.00 -0.04 -1.26 -3.67 135.00 129.33 1jfn n PRO 103 Ca -0.15 -0.61 -0.25 0.00 -0.04 0.00 0.00 63.50 62.44 1jfn n PRO 103 Cb 0.52 -0.47 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 1jfn n PRO 103 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jfn s VAL 104 N -1.81 2.16 -0.72 0.52 1.01 -1.26 -4.98 120.40 115.32 1jfn s VAL 104 Ca 0.23 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 1jfn s VAL 104 Cb -0.01 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1jfn s VAL 104 CO 0.17 0.00 1.72 -0.89 0.00 0.00 0.00 175.10 176.10 1jfn s THR 105 N -2.63 3.49 0.00 3.92 2.01 -1.26 -3.87 115.64 117.30 1jfn s THR 105 Ca 0.38 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1jfn s THR 105 Cb 0.02 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1jfn s THR 105 CO 0.22 -1.20 0.00 -1.84 -0.69 0.00 0.00 174.62 171.11 1jfn n GLU 106 N 9.15 0.00 -4.13 4.92 0.28 -1.26 -5.16 120.64 124.44 1jfn n GLU 106 Ca 0.21 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 1jfn n GLU 106 Cb 0.50 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 1jfn n GLU 106 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1jfn n SER 107 N -0.28 0.36 -2.76 -1.84 3.41 -1.25 -5.09 113.62 106.18 1jfn n SER 107 Ca 0.00 -3.00 -0.03 0.00 -0.26 0.00 0.00 58.87 55.58 1jfn n SER 107 Cb 0.00 1.21 0.06 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.68 0.79 -4.31 4.04 7.64 -1.26 -4.92 113.62 113.92 1jfn n SER 108 Ca 0.00 -2.25 -0.46 0.00 1.01 0.00 0.00 58.87 57.17 1jfn n SER 108 Cb 0.56 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.71 5.40 -0.36 0.44 -7.23 -1.26 -4.88 120.40 109.80 1jfn s VAL 109 Ca 0.24 -2.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1jfn s VAL 109 Cb 0.38 -4.38 0.40 0.00 0.56 0.00 0.00 36.38 33.35 1jfn s VAL 109 CO -0.04 -0.97 1.41 -0.11 -0.31 0.00 0.00 175.10 175.08 1jfn n LEU 110 N 4.33 4.63 -3.20 1.32 0.00 -1.26 -4.42 117.00 118.40 1jfn n LEU 110 Ca 0.05 -2.41 -0.23 0.00 0.00 0.00 0.00 56.01 53.42 1jfn n LEU 110 Cb 0.45 -0.66 -0.06 0.00 0.00 0.00 0.00 43.42 43.14 1jfn n LEU 110 CO 0.39 0.69 -0.25 0.00 0.00 0.00 0.00 177.39 178.22 1jfn n ALA 111 N -0.17 2.51 0.40 1.96 0.00 -1.26 -4.90 120.51 119.04 1jfn n ALA 111 Ca 0.28 -3.52 0.12 0.00 0.00 0.00 0.00 53.44 50.32 1jfn n ALA 111 Cb 1.04 -0.84 0.21 0.00 0.00 0.00 0.00 19.45 19.86 1jfn n ALA 111 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jfn h THR 112 N 1.90 0.00 -0.13 0.00 2.02 -2.03 -3.33 112.91 111.34 1jfn h THR 112 Ca 0.09 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1jfn h THR 112 Cb 0.87 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1jfn h THR 112 CO 0.50 0.00 0.05 0.28 0.37 0.00 0.00 175.52 176.72 1jfn h SER 113 N 0.00 0.18 0.00 4.18 0.02 -1.96 -3.22 113.55 112.75 1jfn h SER 113 Ca 0.00 -0.16 -0.58 0.00 -0.84 0.00 0.00 61.79 60.21 1jfn h SER 113 Cb 0.87 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.37 1jfn h SER 113 CO 0.00 0.30 3.10 0.35 -1.14 0.00 0.00 176.83 179.44 1jfn n THR 114 N -4.89 3.19 -4.46 -2.27 -2.24 -1.25 -4.87 114.28 97.49 1jfn n THR 114 Ca -0.05 -2.14 -0.28 0.00 -2.27 0.00 0.00 64.05 59.32 1jfn n THR 114 Cb 0.12 -2.41 -0.09 0.00 -2.10 0.00 0.00 70.33 65.85 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 3.16 3.50 -0.24 6.98 0.00 -1.22 -4.99 121.76 128.96 1jfn s ALA 115 Ca 0.54 -1.90 0.22 0.00 0.00 0.00 0.00 51.96 50.82 1jfn s ALA 115 Cb 0.14 -0.06 1.14 0.00 0.00 0.00 0.00 23.12 24.35 1jfn s ALA 115 CO -0.03 -0.13 1.67 1.55 0.00 0.00 0.00 175.76 178.81 1jfn n VAL 116 N -1.13 1.02 -3.33 0.00 3.14 -1.26 -4.56 118.33 112.20 1jfn n VAL 116 Ca -0.06 0.67 -0.38 0.00 -2.96 0.00 0.00 64.34 61.60 1jfn n VAL 116 Cb 0.66 -1.66 -0.06 0.00 -1.06 0.00 0.00 33.84 31.72 1jfn n VAL 116 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1jfn s SER 117 N -4.06 6.90 -0.33 6.55 1.04 -1.26 -4.95 113.70 117.59 1jfn s SER 117 Ca -0.01 1.07 0.11 0.00 0.48 0.00 0.00 55.95 57.60 1jfn s SER 117 Cb 0.07 -2.31 0.38 0.00 0.10 0.00 0.00 66.02 64.25 1jfn s SER 117 CO 0.22 0.20 1.44 -1.84 0.98 0.00 0.00 173.24 174.25 1jfn n GLU 118 N 2.32 1.23 0.00 4.02 0.28 -1.26 -4.95 120.64 122.28 1jfn n GLU 118 Ca -0.10 -1.24 0.15 0.00 -0.16 0.00 0.00 57.16 55.81 1jfn n GLU 118 Cb 0.51 0.31 0.73 0.00 1.43 0.00 0.00 31.44 34.43 1jfn n GLU 118 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01