#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 3.21 0.00 0.00 1.85 -1.26 -4.53 116.66 115.93 1jfn n ARG 2 Ca 0.00 -3.96 0.00 0.00 -1.00 0.00 0.00 57.85 52.89 1jfn n ARG 2 Cb 0.00 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.14 1jfn n ARG 2 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1jfn n ILE 3 N -0.66 0.00 -0.01 8.89 3.06 -1.26 -4.75 119.36 124.63 1jfn n ILE 3 Ca 0.48 -0.28 -0.00 0.00 -2.50 0.00 0.00 62.75 60.45 1jfn n ILE 3 Cb 0.68 0.78 -0.03 0.00 0.54 0.00 0.00 39.64 41.61 1jfn n ILE 3 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jfn n HIS 4 N -1.21 0.00 -3.61 9.51 1.44 -1.26 -5.05 115.22 115.04 1jfn n HIS 4 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1jfn n HIS 4 Cb 0.00 -0.15 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 1jfn n HIS 4 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1jfn s HIS 5 N -2.17 -0.32 -0.36 -1.40 2.46 -1.26 -5.06 115.29 107.18 1jfn s HIS 5 Ca -0.02 0.63 0.09 0.00 0.47 0.00 0.00 55.06 56.23 1jfn s HIS 5 Cb 0.02 0.19 0.44 0.00 -0.13 0.00 0.00 32.58 33.10 1jfn s HIS 5 CO 0.16 -0.16 1.12 -2.39 -2.47 0.00 0.00 174.74 171.00 1jfn n HIS 6 N 3.52 2.77 0.10 3.88 1.44 -1.26 -4.70 115.22 120.97 1jfn n HIS 6 Ca -0.17 -2.71 -0.23 0.00 -2.01 0.00 0.00 57.72 52.60 1jfn n HIS 6 Cb 0.57 -0.21 -0.15 0.00 0.12 0.00 0.00 29.99 30.31 1jfn n HIS 6 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1jfn h HIS 7 N 2.50 0.79 -0.74 -1.40 2.76 -1.97 -3.49 115.15 113.59 1jfn h HIS 7 Ca 0.24 -0.57 0.03 0.00 -2.20 0.00 0.00 60.37 57.87 1jfn h HIS 7 Cb 1.18 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 1jfn h HIS 7 CO 0.77 1.58 -0.04 1.58 -1.30 0.00 0.00 177.93 180.52 1jfn n HIS 8 N -3.62 -1.59 -2.70 5.26 -0.00 -1.26 -4.83 115.22 106.48 1jfn n HIS 8 Ca -0.20 0.13 -0.06 0.00 0.46 0.00 0.00 57.72 58.05 1jfn n HIS 8 Cb 1.08 -0.17 0.09 0.00 -0.12 0.00 0.00 29.99 30.88 1jfn n HIS 8 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1jfn n HIS 9 N -0.89 -1.82 -0.05 1.57 -0.00 -1.26 -5.00 115.22 107.76 1jfn n HIS 9 Ca 0.00 -1.53 -0.20 0.00 0.46 0.00 0.00 57.72 56.45 1jfn n HIS 9 Cb 0.05 1.45 -0.13 0.00 -0.12 0.00 0.00 29.99 31.24 1jfn n HIS 9 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1jfn n ILE 10 N 0.15 1.66 -2.11 3.57 3.06 -1.26 -4.41 119.36 120.02 1jfn n ILE 10 Ca -0.03 -0.61 -0.39 0.00 -2.50 0.00 0.00 62.75 59.23 1jfn n ILE 10 Cb 0.74 -1.61 0.02 0.00 0.54 0.00 0.00 39.64 39.32 1jfn n ILE 10 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1jfn n GLU 11 N -3.41 3.76 -1.96 9.51 0.00 -1.26 -5.00 120.64 122.29 1jfn n GLU 11 Ca -0.38 -3.74 -0.30 0.00 0.00 0.00 0.00 57.16 52.74 1jfn n GLU 11 Cb 1.02 -2.35 0.02 0.00 0.00 0.00 0.00 31.44 30.13 1jfn n GLU 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1jfn s GLY 12 N -0.85 1.63 -0.40 8.31 0.00 -1.26 -5.01 107.32 109.74 1jfn s GLY 12 Ca 0.49 -0.23 0.09 0.00 0.00 0.00 0.00 44.72 45.07 1jfn s GLY 12 CO -0.27 0.06 1.06 0.54 0.00 0.00 0.00 173.10 174.50 1jfn n ARG 13 N -2.78 2.72 0.33 2.90 1.74 -1.26 -4.90 116.66 115.41 1jfn n ARG 13 Ca 0.06 -4.11 -0.18 0.00 -0.77 0.00 0.00 57.85 52.84 1jfn n ARG 13 Cb 0.55 -1.94 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfn h ALA 14 N 2.71 -1.19 -3.51 7.54 0.00 -2.02 -3.43 119.26 119.36 1jfn h ALA 14 Ca 0.18 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 1jfn h ALA 14 Cb 1.01 0.69 0.19 0.00 0.00 0.00 0.00 17.79 19.68 1jfn h ALA 14 CO 0.74 -1.20 0.19 -0.35 0.00 0.00 0.00 179.25 178.64 1jfn n PRO 15 N -5.50 -2.59 -0.02 0.00 -0.04 -1.26 -5.03 135.00 120.55 1jfn n PRO 15 Ca -0.13 -1.78 -0.03 0.00 -0.04 0.00 0.00 63.50 61.52 1jfn n PRO 15 Cb 0.47 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -4.52 0.26 -1.65 0.52 -1.04 -1.26 -4.97 114.28 101.62 1jfn n THR 16 Ca 0.15 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 1jfn n THR 16 Cb 0.57 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 1jfn n THR 16 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jfn s GLU 17 N -2.09 3.89 -0.30 -2.82 8.01 -1.26 -4.77 118.70 119.36 1jfn s GLU 17 Ca -0.06 2.48 0.11 0.00 0.01 0.00 0.00 54.97 57.51 1jfn s GLU 17 Cb 0.02 -4.22 0.36 0.00 -4.31 0.00 0.00 34.13 25.98 1jfn s GLU 17 CO 0.11 -1.25 1.48 1.04 0.01 0.00 0.00 175.26 176.65 1jfn n GLN 18 N 7.86 1.21 -1.65 1.61 6.02 -1.26 -5.11 117.38 126.05 1jfn n GLN 18 Ca 0.22 -1.18 -0.51 0.00 -0.01 0.00 0.00 57.00 55.52 1jfn n GLN 18 Cb 0.42 0.44 -0.06 0.00 1.02 0.00 0.00 30.24 32.06 1jfn n GLN 18 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jfn n SER 19 N -1.37 2.42 -4.76 1.08 2.88 -1.26 -4.89 113.62 107.70 1jfn n SER 19 Ca -0.19 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 58.03 1jfn n SER 19 Cb 0.86 -1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 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 1.86 4.44 -0.87 -1.46 0.04 -1.26 -4.83 135.00 132.91 1jfn s PRO 20 Ca 0.88 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 63.46 1jfn s PRO 20 Cb -0.88 -3.01 -0.19 0.00 0.04 0.00 0.00 34.50 30.45 1jfn s PRO 20 CO 0.50 0.01 2.60 0.41 0.04 0.00 0.00 177.00 180.57 1jfn n GLY 21 N 0.94 -0.34 3.38 0.56 0.00 -1.26 -4.84 105.19 103.62 1jfn n GLY 21 Ca 0.01 1.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.98 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 9.17 -0.01 0.00 1.61 0.11 -1.26 -5.08 120.40 124.94 1jfn s VAL 22 Ca 1.29 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 1jfn s VAL 22 Cb -1.12 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1jfn s VAL 22 CO 0.47 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 172.25 1jfn n GLN 23 N 3.24 0.00 -2.81 1.54 10.64 -1.26 -5.12 117.38 123.60 1jfn n GLN 23 Ca -0.16 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.58 1jfn n GLN 23 Cb 0.56 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.90 1jfn n GLN 23 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1jfn s ASP 24 N 0.00 6.49 -0.01 2.61 -4.77 -1.25 -4.95 116.67 114.79 1jfn s ASP 24 Ca 0.00 0.09 -0.29 0.00 -3.30 0.00 0.00 52.55 49.05 1jfn s ASP 24 Cb 0.00 -2.45 0.07 0.00 -1.09 0.00 0.00 42.92 39.45 1jfn s ASP 24 CO 0.00 -1.07 0.69 0.00 0.70 0.00 0.00 175.17 175.49 1jfn s TYR 26 N -1.81 -0.61 0.03 0.00 -0.85 0.75 -4.42 117.35 110.44 1jfn s TYR 26 Ca -0.07 0.89 0.00 0.00 -0.52 0.00 0.00 57.07 57.37 1jfn s TYR 26 Cb -0.00 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1jfn s TYR 26 CO 0.04 -0.67 0.11 -1.58 -1.52 0.00 0.00 175.55 171.93 1jfn s HIS 27 N -1.88 3.32 0.00 -3.49 5.65 -1.26 0.11 115.29 117.73 1jfn s HIS 27 Ca -0.08 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.42 1jfn s HIS 27 Cb -0.00 -1.72 0.00 0.00 -1.18 0.00 0.00 32.58 29.68 1jfn s HIS 27 CO 0.04 0.56 0.00 0.41 -0.65 0.00 0.00 174.74 175.10 1jfn n GLY 28 N 0.81 1.42 2.60 1.59 0.00 -1.26 -3.15 105.19 107.19 1jfn n GLY 28 Ca -0.10 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 9.98 0.85 0.00 1.61 8.00 -1.26 -4.88 116.55 130.85 1jfn n ASP 29 Ca 0.00 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1jfn n ASP 29 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.07 1.65 3.71 0.44 0.00 -1.19 -3.70 105.19 106.04 1jfn n GLY 30 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.06 4.47 -1.27 1.61 -0.21 -1.25 -3.00 119.66 119.95 1jfn s GLN 31 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.00 1jfn s GLN 31 Cb 0.00 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.59 1jfn s GLN 31 CO 0.00 -0.20 0.00 0.45 -2.12 0.00 0.00 175.29 173.42 1jfn n SER 32 N 4.08 -4.36 -0.41 5.90 2.88 -1.26 -4.75 113.62 115.70 1jfn n SER 32 Ca 0.08 0.13 0.39 0.00 -1.33 0.00 0.00 58.87 58.14 1jfn n SER 32 Cb 0.48 -3.32 0.62 0.00 -0.75 0.00 0.00 64.21 61.24 1jfn n SER 32 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1jfn h TYR 33 N 0.00 0.00 -6.00 0.66 3.20 -1.86 -3.45 116.97 109.52 1jfn h TYR 33 Ca -0.30 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.38 1jfn h TYR 33 Cb 1.08 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.36 1jfn h TYR 33 CO 0.37 0.00 -0.94 -2.13 -1.64 0.00 0.00 178.16 173.82 1jfn n ARG 34 N -3.59 -2.04 -3.81 1.82 0.63 -1.26 -4.92 116.66 103.49 1jfn n ARG 34 Ca 0.31 1.70 0.00 0.00 -0.92 0.00 0.00 57.85 58.95 1jfn n ARG 34 Cb 1.69 -3.42 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 -0.01 -1.57 2.42 5.14 0.00 -1.26 -5.04 105.19 104.87 1jfn n GLY 35 Ca -0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 2.44 2.14 -3.53 1.61 3.41 -1.26 -4.88 113.62 113.55 1jfn n SER 36 Ca 0.00 -3.19 -0.38 0.00 -0.26 0.00 0.00 58.87 55.04 1jfn n SER 36 Cb 0.00 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 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 0.50 2.35 -0.32 7.33 -0.00 -1.26 -4.74 117.46 121.31 1jfn n PHE 37 Ca 0.26 -2.36 -0.02 0.00 -0.00 0.00 0.00 57.45 55.33 1jfn n PHE 37 Cb 0.52 -2.06 -0.03 0.00 -0.00 0.00 0.00 39.48 37.90 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 5.91 2.36 -4.06 -2.13 3.41 -1.26 -3.45 113.62 114.41 1jfn n SER 38 Ca 0.53 -1.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.24 1jfn n SER 38 Cb 0.32 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.56 0.57 0.63 6.66 2.01 -1.26 -4.39 115.64 121.42 1jfn s THR 39 Ca 0.13 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1jfn s THR 39 Cb 0.06 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 72.03 1jfn s THR 39 CO 0.00 -0.30 0.88 0.42 -0.69 0.00 0.00 174.62 174.93 1jfn s THR 40 N -1.20 2.45 0.06 -0.82 -4.23 -1.07 -3.97 115.64 106.86 1jfn s THR 40 Ca -0.08 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.60 1jfn s THR 40 Cb -0.09 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.71 1jfn s THR 40 CO 0.00 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.25 1jfn h VAL 41 N -0.22 0.90 -0.01 2.29 2.07 0.22 -1.94 116.25 119.57 1jfn h VAL 41 Ca -0.41 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jfn h VAL 41 Cb 1.29 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1jfn h VAL 41 CO 0.50 0.06 0.08 0.71 0.02 0.00 0.00 177.57 178.94 1jfn h THR 42 N -0.32 0.08 0.00 2.57 1.35 -1.95 -3.43 112.91 111.20 1jfn h THR 42 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1jfn h THR 42 Cb 0.25 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1jfn h THR 42 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1jfn n GLY 43 N -1.15 0.67 0.00 5.82 0.00 -0.73 -5.09 105.19 104.71 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 -1.20 0.27 -5.08 1.61 1.74 -1.26 -4.65 116.66 108.09 1jfn n ARG 44 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1jfn n ARG 44 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.39 1.81 0.73 0.55 2.01 -1.26 -2.60 115.64 116.49 1jfn s THR 45 Ca 0.00 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1jfn s THR 45 Cb 0.00 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1jfn s THR 45 CO 0.00 0.51 1.08 0.00 -0.69 0.00 0.00 174.62 175.52 1jfn s GLN 47 N -5.19 4.22 0.14 0.00 2.00 -0.78 -3.42 119.66 116.64 1jfn s GLN 47 Ca 0.59 0.52 -0.33 0.00 -2.00 0.00 0.00 55.36 54.14 1jfn s GLN 47 Cb -0.13 -3.34 -0.17 0.00 0.80 0.00 0.00 33.01 30.16 1jfn s GLN 47 CO 0.54 0.38 0.89 0.43 -0.50 0.00 0.00 175.29 177.02 1jfn n SER 48 N 2.84 0.00 -0.37 6.67 7.64 -1.26 -4.47 113.62 124.67 1jfn n SER 48 Ca -0.09 1.15 0.03 0.00 1.01 0.00 0.00 58.87 60.96 1jfn n SER 48 Cb 0.52 -1.04 0.17 0.00 -1.01 0.00 0.00 64.21 62.85 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 2.28 1.21 0.00 1.43 4.06 -1.73 0.88 115.95 124.08 1jfn h TRP 49 Ca -0.39 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1jfn h TRP 49 Cb 1.40 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1jfn h TRP 49 CO 0.50 0.63 0.00 0.45 -3.56 0.00 0.00 178.44 176.46 1jfn n SER 50 N -4.50 2.46 -4.51 -3.49 2.88 -1.26 -4.64 113.62 100.56 1jfn n SER 50 Ca 0.15 -1.98 -0.42 0.00 -1.33 0.00 0.00 58.87 55.29 1jfn n SER 50 Cb 0.18 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 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 0.74 6.23 -0.34 -3.46 1.04 0.30 -4.92 113.70 113.30 1jfn s SER 51 Ca 0.00 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.08 1jfn s SER 51 Cb 0.00 -2.24 0.70 0.00 0.10 0.00 0.00 66.02 64.57 1jfn s SER 51 CO 0.00 -0.55 1.77 0.23 0.98 0.00 0.00 173.24 175.67 1jfn n MET 52 N 5.69 3.20 -0.04 4.02 0.00 -1.26 -4.47 117.12 124.26 1jfn n MET 52 Ca -0.06 -3.07 -0.03 0.00 0.00 0.00 0.00 57.70 54.53 1jfn n MET 52 Cb 0.48 -2.15 -0.01 0.00 0.00 0.00 0.00 33.22 31.54 1jfn n MET 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1jfn n THR 53 N -0.47 0.61 0.00 2.03 -2.24 -1.26 -4.81 114.28 108.14 1jfn n THR 53 Ca 0.43 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.56 1jfn n THR 53 Cb 1.38 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 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 -3.29 0.00 -3.00 -0.78 -0.04 -1.26 -4.77 135.00 121.85 1jfn n PRO 54 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1jfn n PRO 54 Cb 0.19 -0.09 -0.05 0.00 -0.04 0.00 0.00 33.50 33.51 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 3.17 -0.09 0.54 3.76 -1.26 -5.04 115.29 116.37 1jfn s HIS 55 Ca 0.00 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 1jfn s HIS 55 Cb 0.00 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 1jfn s HIS 55 CO 0.00 -0.60 0.25 -0.46 -0.85 0.00 0.00 174.74 173.07 1jfn s TRP 56 N 2.90 3.61 0.00 1.40 -0.11 -1.26 -4.66 118.94 120.82 1jfn s TRP 56 Ca 0.30 0.68 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1jfn s TRP 56 Cb -0.14 -2.12 0.00 0.00 -1.50 0.00 0.00 33.47 29.71 1jfn s TRP 56 CO 0.14 0.62 0.00 -2.39 -4.62 0.00 0.00 176.95 170.70 1jfn n HIS 57 N 2.21 0.00 -3.30 5.86 1.44 -1.26 -5.12 115.22 115.05 1jfn n HIS 57 Ca -0.17 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.45 1jfn n HIS 57 Cb 0.54 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 1jfn n HIS 57 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1jfn s GLN 58 N 2.27 0.67 0.00 -1.40 -0.21 -1.26 -4.96 119.66 114.77 1jfn s GLN 58 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1jfn s GLN 58 Cb 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 33.01 33.65 1jfn s GLN 58 CO 0.00 -1.17 0.58 -2.13 -2.12 0.00 0.00 175.29 170.45 1jfn n ARG 59 N 4.47 0.00 -0.19 2.91 0.63 -1.26 -5.05 116.66 118.17 1jfn n ARG 59 Ca 0.10 -0.45 -0.05 0.00 -0.92 0.00 0.00 57.85 56.52 1jfn n ARG 59 Cb 0.50 0.32 0.04 0.00 0.45 0.00 0.00 32.46 33.77 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1jfn n THR 60 N 0.00 0.00 0.60 5.15 5.66 -1.26 -4.83 114.28 119.60 1jfn n THR 60 Ca -0.13 -0.09 0.11 0.00 -3.05 0.00 0.00 64.05 60.90 1jfn n THR 60 Cb 0.49 -1.06 0.45 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.91 0.65 0.21 1.09 -2.24 -1.26 -2.13 114.28 107.69 1jfn n THR 61 Ca 0.03 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1jfn n THR 61 Cb 0.11 -0.85 0.48 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.11 -0.78 4.81 -1.96 -0.20 114.58 116.34 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 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jfn h GLU 62 CO 0.00 0.27 0.00 0.98 -0.73 0.00 0.00 179.01 179.53 1jfn n TYR 63 N -3.85 0.12 -3.64 0.92 9.36 -0.90 -4.77 117.16 114.39 1jfn n TYR 63 Ca -0.02 -0.06 -0.27 0.00 3.32 0.00 0.00 57.90 60.88 1jfn n TYR 63 Cb 0.36 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.90 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1jfn s TYR 64 N -1.88 0.47 -1.70 2.98 2.02 -0.08 -4.98 117.35 114.18 1jfn s TYR 64 Ca 0.33 -0.53 0.17 0.00 -0.37 0.00 0.00 57.07 56.67 1jfn s TYR 64 Cb 0.21 -0.82 0.95 0.00 -0.40 0.00 0.00 41.96 41.90 1jfn s TYR 64 CO 0.31 -0.56 1.48 -0.35 -1.57 0.00 0.00 175.55 174.85 1jfn n PRO 65 N 5.20 0.39 -0.44 -1.71 -0.04 -1.26 -3.11 135.00 134.04 1jfn n PRO 65 Ca -0.07 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1jfn n PRO 65 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.15 0.00 -0.11 3.54 3.02 -1.26 -4.92 115.26 114.38 1jfn n ASN 66 Ca 0.10 -1.42 -0.10 0.00 -0.03 0.00 0.00 54.58 53.14 1jfn n ASN 66 Cb 0.10 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1jfn n ASN 66 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jfn h GLY 67 N 0.00 0.54 0.00 7.41 0.00 -1.87 -3.46 103.07 105.69 1jfn h GLY 67 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1jfn h GLY 67 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1jfn n GLY 68 N -0.64 0.56 2.43 4.60 0.00 -1.26 -4.92 105.19 105.96 1jfn n GLY 68 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 4.69 -4.65 0.99 4.77 -1.26 -4.85 117.00 116.69 1jfn n LEU 69 Ca 0.00 -2.77 -0.43 0.00 -0.03 0.00 0.00 56.01 52.79 1jfn n LEU 69 Cb 0.00 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1jfn n LEU 69 CO 0.00 0.84 1.29 -0.89 -1.33 0.00 0.00 177.39 177.31 1jfn s THR 70 N 2.70 3.81 0.00 -5.08 2.01 -1.26 -4.55 115.64 113.26 1jfn s THR 70 Ca 0.43 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.38 1jfn s THR 70 Cb 0.14 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1jfn s THR 70 CO -0.02 -0.19 0.00 0.54 -0.69 0.00 0.00 174.62 174.26 1jfn n ARG 71 N 7.23 0.00 -0.13 4.92 1.74 -1.26 -0.63 116.66 128.52 1jfn n ARG 71 Ca 0.17 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 1jfn n ARG 71 Cb 0.44 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.97 1jfn n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1jfn n ASN 72 N 2.40 1.34 -3.85 0.55 4.05 -1.26 -2.27 115.26 116.22 1jfn n ASN 72 Ca 0.00 -2.07 -0.35 0.00 0.45 0.00 0.00 54.58 52.61 1jfn n ASN 72 Cb 0.00 -0.25 0.01 0.00 1.23 0.00 0.00 39.78 40.77 1jfn n ASN 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1jfn n TYR 73 N 0.07 -3.07 -3.71 1.20 4.02 0.20 -4.63 117.16 111.24 1jfn n TYR 73 Ca 0.06 0.33 -0.37 0.00 -0.01 0.00 0.00 57.90 57.92 1jfn n TYR 73 Cb 0.25 -1.50 -0.11 0.00 -0.02 0.00 0.00 39.34 37.96 1jfn n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfn s ARG 75 N 1.47 1.57 -0.61 0.00 3.00 -1.22 -4.45 118.95 118.71 1jfn s ARG 75 Ca 0.06 -1.87 0.05 0.00 0.00 0.00 0.00 55.73 53.97 1jfn s ARG 75 Cb -0.15 -0.51 0.17 0.00 0.00 0.00 0.00 34.95 34.45 1jfn s ARG 75 CO 0.06 -0.28 0.43 1.21 0.00 0.00 0.00 175.30 176.72 1jfn s ASN 76 N -3.41 3.93 0.00 0.23 2.47 -1.26 -2.11 114.94 114.79 1jfn s ASN 76 Ca 0.36 -3.56 -0.02 0.00 0.42 0.00 0.00 52.86 50.06 1jfn s ASN 76 Cb 0.07 -1.32 -0.08 0.00 -1.45 0.00 0.00 41.25 38.48 1jfn s ASN 76 CO 0.15 -0.12 2.43 -0.81 -3.72 0.00 0.00 177.10 175.03 1jfn n PRO 77 N 2.32 1.27 0.00 0.43 -0.04 -1.26 -4.50 135.00 133.21 1jfn n PRO 77 Ca 0.21 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1jfn n PRO 77 Cb 0.38 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.84 0.00 0.00 3.54 -0.08 -1.26 -5.09 116.55 115.49 1jfn n ASP 78 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1jfn n ASP 78 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 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 -3.00 0.00 -2.56 -1.67 0.00 -1.26 -5.03 120.51 106.99 1jfn n ALA 79 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jfn n ALA 79 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 0.45 -0.34 0.00 -0.58 -1.25 -4.93 120.64 113.98 1jfn n GLU 80 Ca 0.00 -1.18 0.20 0.00 -0.42 0.00 0.00 57.16 55.76 1jfn n GLU 80 Cb 0.00 -0.23 0.44 0.00 -0.57 0.00 0.00 31.44 31.07 1jfn n GLU 80 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1jfn h ILE 81 N -0.34 0.49 -2.77 -3.67 -0.00 -1.95 -3.37 117.51 105.90 1jfn h ILE 81 Ca -0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 64.86 64.52 1jfn h ILE 81 Cb 0.51 -0.04 -0.00 0.00 -0.00 0.00 0.00 36.82 37.29 1jfn h ILE 81 CO 0.15 0.09 0.15 -1.54 -0.00 0.00 0.00 178.15 177.00 1jfn n SER 82 N -4.83 -1.48 -4.83 2.19 3.41 -1.24 -3.33 113.62 103.51 1jfn n SER 82 Ca 0.27 -2.11 -0.31 0.00 -0.26 0.00 0.00 58.87 56.46 1jfn n SER 82 Cb 0.83 2.49 0.03 0.00 -0.26 0.00 0.00 64.21 67.30 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jfn s PRO 83 N -2.13 3.23 0.09 4.33 0.04 -1.26 -4.71 135.00 134.59 1jfn s PRO 83 Ca 0.12 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1jfn s PRO 83 Cb -0.03 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1jfn s PRO 83 CO 0.09 -0.87 0.05 -2.67 0.04 0.00 0.00 177.00 173.63 1jfn n TRP 84 N -2.78 -0.04 -3.64 0.56 4.27 -0.89 -1.83 117.44 113.08 1jfn n TRP 84 Ca 0.07 -0.64 -0.06 0.00 -3.89 0.00 0.00 57.50 52.98 1jfn n TRP 84 Cb 0.54 0.02 -0.07 0.00 -1.36 0.00 0.00 31.31 30.44 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 1.86 -2.15 -5.11 0.00 4.01 -1.26 -0.65 117.16 113.86 1jfn n TYR 86 Ca -0.11 -0.12 -0.32 0.00 -0.16 0.00 0.00 57.90 57.19 1jfn n TYR 86 Cb 0.56 -0.81 -0.16 0.00 -0.31 0.00 0.00 39.34 38.63 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 -1.49 2.40 -2.00 -0.72 -4.23 -1.10 -1.86 115.64 106.64 1jfn s THR 87 Ca 0.24 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1jfn s THR 87 Cb -0.04 -1.92 0.24 0.00 1.34 0.00 0.00 72.50 72.12 1jfn s THR 87 CO 0.20 0.56 0.92 0.80 -0.54 0.00 0.00 174.62 176.57 1jfn n MET 88 N 3.04 0.31 -4.42 3.99 1.56 0.78 -3.72 117.12 118.66 1jfn n MET 88 Ca -0.18 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.94 1jfn n MET 88 Cb 0.52 -1.42 -0.11 0.00 2.15 0.00 0.00 33.22 34.37 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 -1.95 4.38 0.00 6.12 1.11 -1.26 -4.90 116.67 120.17 1jfn s ASP 89 Ca 0.13 -0.28 0.09 0.00 0.18 0.00 0.00 52.55 52.66 1jfn s ASP 89 Cb 0.06 -0.90 0.55 0.00 1.07 0.00 0.00 42.92 43.70 1jfn s ASP 89 CO 0.10 0.24 1.18 -0.81 1.18 0.00 0.00 175.17 177.06 1jfn n PRO 90 N 1.26 0.79 0.00 8.23 -0.04 -1.26 -2.60 135.00 141.38 1jfn n PRO 90 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1jfn n PRO 90 Cb 0.52 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1jfn n PRO 90 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1jfn n ASN 91 N -0.68 1.75 -4.03 3.54 6.94 -1.26 -4.94 115.26 116.57 1jfn n ASN 91 Ca 0.07 -1.38 -0.19 0.00 -0.02 0.00 0.00 54.58 53.06 1jfn n ASN 91 Cb 0.03 0.44 -0.15 0.00 -2.36 0.00 0.00 39.78 37.74 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1jfn s VAL 92 N -1.96 0.74 -0.14 3.53 1.01 -1.07 -5.05 120.40 117.47 1jfn s VAL 92 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1jfn s VAL 92 Cb 0.14 -0.63 -0.18 0.00 0.00 0.00 0.00 36.38 35.71 1jfn s VAL 92 CO 0.42 0.19 0.48 -0.09 0.00 0.00 0.00 175.10 176.10 1jfn h ARG 93 N 5.85 0.00 -2.96 2.72 2.43 -1.91 -3.38 114.38 117.13 1jfn h ARG 93 Ca -0.31 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1jfn h ARG 93 Cb 1.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1jfn h ARG 93 CO 0.49 0.72 0.25 1.67 -1.51 0.00 0.00 179.97 181.60 1jfn s TRP 94 N -2.08 -0.13 -0.00 2.20 1.48 -1.26 -2.72 118.94 116.43 1jfn s TRP 94 Ca -0.15 -0.36 -0.25 0.00 -1.06 0.00 0.00 56.10 54.27 1jfn s TRP 94 Cb -0.01 0.73 0.06 0.00 -1.16 0.00 0.00 33.47 33.09 1jfn s TRP 94 CO 0.50 -1.27 0.57 -2.00 -4.06 0.00 0.00 176.95 170.68 1jfn s GLU 95 N -3.60 1.00 0.93 3.25 2.56 0.17 -4.80 118.70 118.22 1jfn s GLU 95 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.97 54.96 1jfn s GLU 95 Cb -0.06 0.47 0.15 0.00 2.00 0.00 0.00 34.13 36.69 1jfn s GLU 95 CO 0.08 -0.33 1.13 0.71 -0.56 0.00 0.00 175.26 176.28 1jfn s TYR 96 N -1.75 2.42 -0.07 5.30 2.02 -1.26 -0.74 117.35 123.26 1jfn s TYR 96 Ca -0.09 0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 1jfn s TYR 96 Cb -0.01 -3.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 1jfn s TYR 96 CO 0.04 -2.47 0.01 0.00 -1.57 0.00 0.00 175.55 171.57 1jfn n ASN 98 N 1.97 1.16 -3.89 0.00 3.02 -1.23 -4.55 115.26 111.74 1jfn n ASN 98 Ca -0.18 -2.15 -0.15 0.00 -0.03 0.00 0.00 54.58 52.08 1jfn n ASN 98 Cb 0.53 -1.62 -0.15 0.00 -0.61 0.00 0.00 39.78 37.93 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 15.44 1.76 0.24 3.41 1.43 -1.26 -3.97 118.68 135.74 1jfn s LEU 99 Ca 0.80 -0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1jfn s LEU 99 Cb -0.08 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1jfn s LEU 99 CO 0.16 -0.00 0.03 0.42 0.23 0.00 0.00 176.35 177.19 1jfn s THR 100 N 0.24 3.65 -1.00 5.49 -4.23 -1.01 -4.69 115.64 114.10 1jfn s THR 100 Ca -0.02 -1.74 -0.24 0.00 -1.18 0.00 0.00 61.69 58.51 1jfn s THR 100 Cb -0.05 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 70.78 1jfn s THR 100 CO -0.01 -0.32 2.00 -1.58 -0.54 0.00 0.00 174.62 174.18 1jfn s GLN 101 N -3.55 2.34 0.26 3.99 0.74 -1.26 0.27 119.66 122.44 1jfn s GLN 101 Ca 0.31 -0.50 -0.11 0.00 0.05 0.00 0.00 55.36 55.10 1jfn s GLN 101 Cb -0.07 -5.09 0.37 0.00 1.10 0.00 0.00 33.01 29.32 1jfn s GLN 101 CO 0.20 -3.84 1.57 0.00 -0.55 0.00 0.00 175.29 172.68 1jfn n PRO 103 N -5.56 0.00 -0.73 0.00 -0.04 -1.26 -4.91 135.00 122.50 1jfn n PRO 103 Ca 0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 1jfn n PRO 103 Cb 0.45 -0.14 0.24 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.00 1.94 -0.26 0.52 1.01 -1.24 -5.05 120.40 117.31 1jfn s VAL 104 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1jfn s VAL 104 Cb 0.00 -2.20 0.15 0.00 0.00 0.00 0.00 36.38 34.32 1jfn s VAL 104 CO 0.00 0.00 0.43 -0.89 0.00 0.00 0.00 175.10 174.64 1jfn s THR 105 N -2.61 -0.69 -0.13 3.92 2.01 -1.26 -4.49 115.64 112.38 1jfn s THR 105 Ca 0.68 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 1jfn s THR 105 Cb -0.22 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1jfn s THR 105 CO 0.62 -0.11 0.10 1.21 -0.69 0.00 0.00 174.62 175.75 1jfn n GLU 106 N 5.38 -1.21 -2.96 4.92 2.13 -1.26 -4.83 120.64 122.81 1jfn n GLU 106 Ca -0.02 1.32 -0.43 0.00 0.66 0.00 0.00 57.16 58.68 1jfn n GLU 106 Cb 0.50 -2.20 -0.05 0.00 0.27 0.00 0.00 31.44 29.97 1jfn n GLU 106 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1jfn s SER 107 N -1.25 6.23 0.06 4.31 0.01 -1.26 -4.81 113.70 117.00 1jfn s SER 107 Ca 0.05 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1jfn s SER 107 Cb -0.01 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1jfn s SER 107 CO 0.30 -1.21 0.00 -0.24 0.41 0.00 0.00 173.24 172.50 1jfn n SER 108 N 7.08 0.40 -4.95 2.44 2.88 -1.26 -5.09 113.62 115.11 1jfn n SER 108 Ca -0.04 0.09 -0.23 0.00 -1.33 0.00 0.00 58.87 57.36 1jfn n SER 108 Cb 0.45 -0.09 0.05 0.00 -0.75 0.00 0.00 64.21 63.87 1jfn n SER 108 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1jfn s VAL 109 N -1.45 2.60 -0.43 2.46 -7.23 -1.26 -5.07 120.40 110.03 1jfn s VAL 109 Ca 0.00 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1jfn s VAL 109 Cb 0.00 -3.04 0.17 0.00 0.56 0.00 0.00 36.38 34.07 1jfn s VAL 109 CO 0.00 -0.03 0.41 -0.76 -0.31 0.00 0.00 175.10 174.40 1jfn s LEU 110 N -4.95 0.82 -0.24 1.32 1.43 -1.26 -5.11 118.68 110.69 1jfn s LEU 110 Ca 0.58 -2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 50.75 1jfn s LEU 110 Cb -0.10 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 1jfn s LEU 110 CO 0.41 -0.16 0.49 0.00 0.23 0.00 0.00 176.35 177.32 1jfn s ALA 111 N 0.29 3.57 -1.93 4.21 0.00 -1.26 -4.93 121.76 121.71 1jfn s ALA 111 Ca 0.31 -0.57 0.21 0.00 0.00 0.00 0.00 51.96 51.92 1jfn s ALA 111 Cb 0.02 -2.82 0.56 0.00 0.00 0.00 0.00 23.12 20.88 1jfn s ALA 111 CO -0.16 -0.60 1.47 -2.37 0.00 0.00 0.00 175.76 174.10 1jfn n THR 112 N 4.90 0.89 -0.62 0.00 5.66 -1.26 -5.00 114.28 118.85 1jfn n THR 112 Ca -0.05 -0.95 -0.31 0.00 -3.05 0.00 0.00 64.05 59.70 1jfn n THR 112 Cb 0.50 0.60 0.18 0.00 -1.55 0.00 0.00 70.33 70.07 1jfn n THR 112 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1jfn n SER 113 N 1.47 -2.47 -0.00 1.09 2.88 -1.26 -4.97 113.62 110.36 1jfn n SER 113 Ca 0.22 -0.20 -0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1jfn n SER 113 Cb 0.59 -0.95 -0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1jfn n SER 113 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jfn n THR 114 N -4.54 0.02 1.57 2.46 -1.04 -1.26 -4.60 114.28 106.88 1jfn n THR 114 Ca 0.02 -0.02 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1jfn n THR 114 Cb 0.59 -0.74 0.05 0.00 -1.82 0.00 0.00 70.33 68.41 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 -1.93 2.50 1.37 2.41 0.00 -1.26 -3.51 120.51 120.10 1jfn n ALA 115 Ca -0.01 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1jfn n ALA 115 Cb 0.43 -0.99 0.46 0.00 0.00 0.00 0.00 19.45 19.34 1jfn n ALA 115 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jfn n VAL 116 N -0.16 0.09 -3.35 0.00 3.14 -1.26 -4.80 118.33 111.99 1jfn n VAL 116 Ca 0.04 -0.30 -0.40 0.00 -2.96 0.00 0.00 64.34 60.72 1jfn n VAL 116 Cb 0.12 0.46 -0.09 0.00 -1.06 0.00 0.00 33.84 33.27 1jfn n VAL 116 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jfn s SER 117 N -1.82 6.25 -0.40 6.55 0.15 -1.23 -4.94 113.70 118.25 1jfn s SER 117 Ca 0.36 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1jfn s SER 117 Cb 0.20 -2.22 0.22 0.00 -1.71 0.00 0.00 66.02 62.51 1jfn s SER 117 CO 0.31 -0.33 1.02 -1.84 1.20 0.00 0.00 173.24 173.59 1jfn n GLU 118 N 5.48 0.28 0.00 5.44 0.28 -1.26 -5.16 120.64 125.70 1jfn n GLU 118 Ca -0.08 -1.16 0.00 0.00 -0.16 0.00 0.00 57.16 55.76 1jfn n GLU 118 Cb 0.50 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1jfn n GLU 118 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91