#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyx s LYS 2 N 0.00 2.70 -0.08 0.03 1.02 0.87 -4.91 119.74 119.36 2fyx s LYS 2 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.06 2fyx s LYS 2 Cb 0.00 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2fyx s LYS 2 CO 0.00 0.48 -0.16 -1.59 -0.92 0.00 0.00 175.35 173.16 2fyx s LYS 3 N -3.00 2.89 0.00 1.68 0.00 -1.26 -1.20 119.74 118.85 2fyx s LYS 3 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 55.97 55.53 2fyx s LYS 3 Cb -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.29 2fyx s LYS 3 CO 0.21 0.41 0.00 0.41 0.00 0.00 0.00 175.35 176.38 2fyx n GLY 4 N 2.94 5.18 3.54 0.59 0.00 0.12 -5.00 105.19 112.56 2fyx n GLY 4 Ca -0.18 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.31 2fyx n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fyx s ARG 5 N -0.57 3.31 0.00 1.61 3.52 -1.26 -3.29 118.95 122.27 2fyx s ARG 5 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2fyx s ARG 5 Cb 0.00 -4.53 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 2fyx s ARG 5 CO 0.00 -2.13 0.00 0.41 -0.81 0.00 0.00 175.30 172.77 2fyx n GLY 6 N 5.80 0.80 3.45 8.12 0.00 -1.26 -5.06 105.19 117.04 2fyx n GLY 6 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2fyx n GLY 6 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fyx s TYR 7 N -2.00 -0.55 -0.02 1.61 1.13 -1.21 -5.14 117.35 111.18 2fyx s TYR 7 Ca 0.00 0.67 0.07 0.00 -1.41 0.00 0.00 57.07 56.41 2fyx s TYR 7 Cb 0.00 0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 41.28 2fyx s TYR 7 CO 0.00 -0.70 -0.24 0.08 -2.51 0.00 0.00 175.55 172.19 2fyx s VAL 8 N -2.38 1.87 0.10 -3.49 1.01 -1.26 0.11 120.40 116.35 2fyx s VAL 8 Ca -0.05 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 2fyx s VAL 8 Cb -0.01 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.88 2fyx s VAL 8 CO -0.01 0.52 0.56 -0.72 0.00 0.00 0.00 175.10 175.45 2fyx s TYR 9 N -0.56 -0.47 -0.25 5.22 1.13 -0.34 -4.97 117.35 117.10 2fyx s TYR 9 Ca 0.09 0.41 -0.03 0.00 -1.41 0.00 0.00 57.07 56.13 2fyx s TYR 9 Cb -0.09 0.43 0.14 0.00 -1.10 0.00 0.00 41.96 41.34 2fyx s TYR 9 CO -0.01 -0.74 0.45 0.21 -2.51 0.00 0.00 175.55 172.96 2fyx s LYS 10 N -3.05 0.41 -0.12 -3.49 2.20 -1.26 -0.09 119.74 114.33 2fyx s LYS 10 Ca -0.02 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 56.35 2fyx s LYS 10 Cb -0.00 -0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2fyx s LYS 10 CO -0.07 -0.56 -0.05 -0.51 -0.36 0.00 0.00 175.35 173.81 2fyx s LEU 11 N 2.65 1.18 -0.02 5.43 1.43 -1.26 -5.07 118.68 123.02 2fyx s LEU 11 Ca 0.12 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2fyx s LEU 11 Cb -0.15 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 2fyx s LEU 11 CO -0.17 -0.16 -0.14 -1.61 0.23 0.00 0.00 176.35 174.50 2fyx s GLU 12 N 1.75 1.22 -0.07 1.70 2.02 -1.26 -1.32 118.70 122.75 2fyx s GLU 12 Ca 0.03 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.58 2fyx s GLU 12 Cb -0.13 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 32.96 2fyx s GLU 12 CO -0.07 0.25 -0.16 0.71 0.02 0.00 0.00 175.26 176.00 2fyx s TYR 13 N -0.15 1.79 -0.02 1.61 2.02 0.01 -4.48 117.35 118.14 2fyx s TYR 13 Ca 0.02 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 2fyx s TYR 13 Cb -0.07 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2fyx s TYR 13 CO 0.00 -0.28 0.97 -1.01 -1.57 0.00 0.00 175.55 173.67 2fyx s HIS 14 N 0.40 3.63 -0.07 2.71 3.76 0.50 -0.90 115.29 125.34 2fyx s HIS 14 Ca -0.12 1.66 0.01 0.00 -0.15 0.00 0.00 55.06 56.46 2fyx s HIS 14 Cb -0.15 -3.12 0.02 0.00 1.11 0.00 0.00 32.58 30.44 2fyx s HIS 14 CO 0.05 -0.04 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.65 2fyx s LEU 15 N 1.17 1.35 -0.01 0.89 2.96 0.05 -0.70 118.68 124.38 2fyx s LEU 15 Ca 0.51 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2fyx s LEU 15 Cb -0.20 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 2fyx s LEU 15 CO 0.26 -0.05 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.53 2fyx s ILE 16 N 1.05 0.70 0.16 6.68 1.09 0.15 -0.43 121.20 130.61 2fyx s ILE 16 Ca -0.08 -0.36 -0.16 0.00 -1.10 0.00 0.00 60.65 58.95 2fyx s ILE 16 Cb -0.14 -0.60 0.03 0.00 -1.06 0.00 0.00 42.46 40.68 2fyx s ILE 16 CO -0.00 0.21 0.45 -1.66 -0.10 0.00 0.00 174.94 173.83 2fyx s TRP 17 N -0.06 -0.12 0.28 3.97 -2.14 -0.96 -0.42 118.94 119.50 2fyx s TRP 17 Ca 0.01 -0.21 0.09 0.00 2.66 0.00 0.00 56.10 58.65 2fyx s TRP 17 Cb -0.05 0.30 -0.04 0.00 -3.10 0.00 0.00 33.47 30.58 2fyx s TRP 17 CO -0.00 -0.81 0.05 0.00 -2.66 0.00 0.00 176.95 173.53 2fyx s ALA 18 N -3.85 3.28 0.80 2.67 0.00 -1.26 -1.07 121.76 122.33 2fyx s ALA 18 Ca 0.07 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 2fyx s ALA 18 Cb 0.01 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.39 2fyx s ALA 18 CO -0.07 0.21 1.09 0.95 0.00 0.00 0.00 175.76 177.95 2fyx s THR 19 N -2.33 3.18 0.23 0.00 -4.23 0.21 -0.81 115.64 111.89 2fyx s THR 19 Ca 0.33 0.38 -0.31 0.00 -1.18 0.00 0.00 61.69 60.91 2fyx s THR 19 Cb -0.06 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.82 2fyx s THR 19 CO 0.21 -0.50 1.58 -0.54 -0.54 0.00 0.00 174.62 174.83 2fyx s LYS 20 N -4.90 4.18 -1.87 3.99 1.02 0.17 -1.48 119.74 120.85 2fyx s LYS 20 Ca 0.62 2.46 0.00 0.00 0.02 0.00 0.00 55.97 59.07 2fyx s LYS 20 Cb -0.17 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2fyx s LYS 20 CO 0.56 -0.61 0.00 0.66 -0.92 0.00 0.00 175.35 175.05 2fyx n TYR 21 N 3.11 -0.09 -4.05 3.18 4.01 -1.26 -1.66 117.16 120.40 2fyx n TYR 21 Ca 0.11 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.52 2fyx n TYR 21 Cb 0.38 -3.15 -0.01 0.00 -0.31 0.00 0.00 39.34 36.25 2fyx n TYR 21 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2fyx n ARG 22 N -2.03 -4.05 -1.88 -0.72 1.74 -0.55 -3.78 116.66 105.38 2fyx n ARG 22 Ca -0.18 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 2fyx n ARG 22 Cb 0.61 -5.26 -0.03 0.00 -1.02 0.00 0.00 32.46 26.76 2fyx n ARG 22 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2fyx s HIS 23 N -3.25 3.01 -1.39 -1.55 2.46 -0.67 -4.76 115.29 109.14 2fyx s HIS 23 Ca 0.70 0.58 -0.11 0.00 0.47 0.00 0.00 55.06 56.70 2fyx s HIS 23 Cb -0.37 -3.98 0.09 0.00 -0.13 0.00 0.00 32.58 28.19 2fyx s HIS 23 CO 0.86 -3.61 2.15 1.04 -2.47 0.00 0.00 174.74 172.71 2fyx n GLN 24 N 3.83 3.40 -0.01 2.88 6.02 -1.26 -4.35 117.38 127.89 2fyx n GLN 24 Ca 0.14 -3.03 0.09 0.00 -0.01 0.00 0.00 57.00 54.19 2fyx n GLN 24 Cb 0.38 -3.04 -0.14 0.00 1.02 0.00 0.00 30.24 28.46 2fyx n GLN 24 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2fyx n VAL 25 N 3.93 0.00 -2.53 5.09 0.24 -0.69 -4.72 118.33 119.64 2fyx n VAL 25 Ca 0.50 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 2fyx n VAL 25 Cb 0.35 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2fyx n VAL 25 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2fyx n LEU 26 N -1.91 5.81 -4.12 1.34 4.77 -0.30 -4.71 117.00 117.87 2fyx n LEU 26 Ca -0.01 -4.36 -0.15 0.00 -0.03 0.00 0.00 56.01 51.46 2fyx n LEU 26 Cb 0.43 -1.61 -0.11 0.00 -2.33 0.00 0.00 43.42 39.79 2fyx n LEU 26 CO 0.40 0.85 -0.42 0.68 -1.33 0.00 0.00 177.39 177.57 2fyx s VAL 27 N 1.99 0.79 0.00 4.08 -7.23 -1.26 -3.73 120.40 115.04 2fyx s VAL 27 Ca 0.45 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2fyx s VAL 27 Cb 0.05 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2fyx s VAL 27 CO 0.01 -0.40 0.00 0.47 -0.31 0.00 0.00 175.10 174.86 2fyx n ASP 28 N 1.14 0.00 0.26 4.85 8.00 -1.26 -1.15 116.55 128.39 2fyx n ASP 28 Ca -0.20 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.43 2fyx n ASP 28 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.38 2fyx n ASP 28 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2fyx h GLU 29 N 0.00 0.00 -0.07 -1.24 9.09 -1.98 -0.55 114.58 119.84 2fyx h GLU 29 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2fyx h GLU 29 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2fyx h GLU 29 CO 0.00 0.12 -0.16 0.28 0.05 0.00 0.00 179.01 179.29 2fyx h VAL 30 N 0.00 1.42 -0.52 -1.06 2.07 -1.46 0.88 116.25 117.58 2fyx h VAL 30 Ca -0.00 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.03 2fyx h VAL 30 Cb 0.37 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 2fyx h VAL 30 CO 0.02 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.34 2fyx h ALA 31 N 0.46 0.67 -0.48 1.67 0.00 -1.04 -1.31 119.26 119.24 2fyx h ALA 31 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2fyx h ALA 31 Cb 0.77 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2fyx h ALA 31 CO 0.04 0.01 0.26 -0.44 0.00 0.00 0.00 179.25 179.12 2fyx h ASP 32 N 0.62 0.41 -0.59 0.00 3.32 -1.02 -1.84 116.42 117.31 2fyx h ASP 32 Ca 0.21 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2fyx h ASP 32 Cb 0.03 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2fyx h ASP 32 CO -0.10 0.29 0.37 1.23 -1.72 0.00 0.00 179.24 179.31 2fyx h GLY 33 N 0.52 0.83 1.22 2.75 0.00 -0.67 -2.79 103.07 104.94 2fyx h GLY 33 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2fyx h GLY 33 CO -0.11 0.26 0.26 -2.00 0.00 0.00 0.00 176.54 174.94 2fyx h LEU 34 N 0.75 0.91 -0.36 3.11 5.85 -0.92 -0.40 115.31 124.25 2fyx h LEU 34 Ca 0.23 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2fyx h LEU 34 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2fyx h LEU 34 CO -0.08 0.82 0.20 0.11 -0.34 0.00 0.00 178.44 179.15 2fyx h LYS 35 N 0.97 0.39 -0.39 1.25 1.57 -1.13 0.12 116.57 119.36 2fyx h LYS 35 Ca 0.23 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2fyx h LYS 35 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2fyx h LYS 35 CO -0.02 0.26 0.14 -0.44 -0.57 0.00 0.00 179.45 178.82 2fyx h ASP 36 N 0.40 0.54 -0.52 0.86 3.32 -1.22 -0.29 116.42 119.52 2fyx h ASP 36 Ca 0.14 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2fyx h ASP 36 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2fyx h ASP 36 CO -0.08 0.58 0.33 0.40 -1.72 0.00 0.00 179.24 178.75 2fyx h ILE 37 N 0.48 1.14 -0.63 0.35 2.04 -0.82 -1.92 117.51 118.16 2fyx h ILE 37 Ca 0.13 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2fyx h ILE 37 Cb 0.21 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2fyx h ILE 37 CO -0.01 0.14 0.05 -0.07 0.00 0.00 0.00 178.15 178.26 2fyx h LEU 38 N 0.70 1.04 -0.50 1.44 3.38 -0.50 -0.45 115.31 120.43 2fyx h LEU 38 Ca 0.19 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2fyx h LEU 38 Cb -0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 2fyx h LEU 38 CO -0.04 1.07 0.23 0.03 0.09 0.00 0.00 178.44 179.82 2fyx h ARG 39 N 0.98 0.44 -0.31 1.13 3.08 -0.86 -0.26 114.38 118.58 2fyx h ARG 39 Ca 0.18 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 2fyx h ARG 39 Cb 0.50 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2fyx h ARG 39 CO 0.02 0.29 -0.38 0.22 -1.07 0.00 0.00 179.97 179.05 2fyx h ASP 40 N 0.45 0.77 -0.38 7.04 3.58 -1.04 -2.37 116.42 124.47 2fyx h ASP 40 Ca 0.22 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.21 2fyx h ASP 40 Cb 0.16 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2fyx h ASP 40 CO -0.18 1.07 -0.25 0.40 -2.88 0.00 0.00 179.24 177.41 2fyx h ILE 41 N 0.60 1.28 0.18 2.25 2.04 -0.80 -0.76 117.51 122.30 2fyx h ILE 41 Ca 0.05 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2fyx h ILE 41 Cb 0.92 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2fyx h ILE 41 CO 0.08 0.47 -0.17 0.00 0.00 0.00 0.00 178.15 178.52 2fyx h ALA 42 N 0.79 -0.35 -0.39 1.87 0.00 -0.95 -1.33 119.26 118.90 2fyx h ALA 42 Ca 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2fyx h ALA 42 Cb 0.81 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2fyx h ALA 42 CO 0.07 -0.72 0.15 1.15 0.00 0.00 0.00 179.25 179.89 2fyx h THR 43 N -0.38 0.90 0.00 0.00 2.02 -1.38 0.18 112.91 114.24 2fyx h THR 43 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2fyx h THR 43 Cb 0.36 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2fyx h THR 43 CO -0.04 0.06 -0.02 1.56 0.37 0.00 0.00 175.52 177.45 2fyx h GLN 44 N 0.31 0.00 -0.53 6.66 4.20 -0.81 -1.56 115.11 123.39 2fyx h GLN 44 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2fyx h GLN 44 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2fyx h GLN 44 CO -0.17 0.02 0.00 0.09 -0.67 0.00 0.00 178.83 178.09 2fyx n ASN 45 N -3.44 4.26 -0.55 1.46 3.02 -0.53 -4.95 115.26 114.53 2fyx n ASN 45 Ca -0.03 -2.45 -0.06 0.00 -0.03 0.00 0.00 54.58 52.01 2fyx n ASN 45 Cb 0.11 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 2fyx n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fyx n GLY 46 N 0.74 0.53 3.75 7.41 0.00 -0.58 -5.02 105.19 112.02 2fyx n GLY 46 Ca 0.22 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 2fyx n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fyx s LEU 47 N -1.50 3.62 -0.26 0.99 1.43 -0.04 -4.80 118.68 118.12 2fyx s LEU 47 Ca 0.00 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2fyx s LEU 47 Cb 0.00 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2fyx s LEU 47 CO 0.00 0.08 0.15 -0.70 0.23 0.00 0.00 176.35 176.11 2fyx s GLU 48 N -3.01 3.88 -0.78 1.70 2.12 -0.65 -3.39 118.70 118.57 2fyx s GLU 48 Ca 0.30 -0.36 -0.21 0.00 0.36 0.00 0.00 54.97 55.05 2fyx s GLU 48 Cb -0.10 -3.54 0.09 0.00 0.26 0.00 0.00 34.13 30.84 2fyx s GLU 48 CO 0.22 -0.15 1.07 -1.17 -0.54 0.00 0.00 175.26 174.69 2fyx s LEU 49 N 1.61 4.52 0.13 2.70 2.96 -1.26 -0.56 118.68 128.78 2fyx s LEU 49 Ca 0.07 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.47 2fyx s LEU 49 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2fyx s LEU 49 CO 0.08 -1.33 1.50 0.58 -1.32 0.00 0.00 176.35 175.86 2fyx h VAL 50 N 5.99 1.28 -2.55 1.68 2.07 -0.87 -3.46 116.25 120.39 2fyx h VAL 50 Ca -0.09 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 2fyx h VAL 50 Cb 1.05 1.30 -0.16 0.00 -1.52 0.00 0.00 31.29 31.96 2fyx h VAL 50 CO 1.18 0.47 0.12 0.00 0.02 0.00 0.00 177.57 179.35 2fyx s ALA 51 N -4.57 -1.52 -0.11 1.67 0.00 -1.05 -4.98 121.76 111.20 2fyx s ALA 51 Ca -0.12 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2fyx s ALA 51 Cb 0.11 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.60 2fyx s ALA 51 CO 0.85 -0.50 0.29 -1.17 0.00 0.00 0.00 175.76 175.23 2fyx s LEU 52 N -1.83 0.77 -0.04 0.00 2.96 -1.26 -0.51 118.68 118.77 2fyx s LEU 52 Ca -0.06 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2fyx s LEU 52 Cb -0.01 0.99 0.01 0.00 0.50 0.00 0.00 46.19 47.68 2fyx s LEU 52 CO 0.00 -0.12 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.99 2fyx s GLU 53 N 0.38 1.18 -0.25 1.98 -1.05 0.56 -5.01 118.70 116.47 2fyx s GLU 53 Ca -0.02 -0.34 -0.02 0.00 -0.15 0.00 0.00 54.97 54.44 2fyx s GLU 53 Cb -0.04 -1.06 0.02 0.00 -0.44 0.00 0.00 34.13 32.62 2fyx s GLU 53 CO -0.02 0.09 -0.04 0.08 0.95 0.00 0.00 175.26 176.33 2fyx s VAL 54 N 0.33 3.05 0.46 1.83 1.01 -1.26 -0.98 120.40 124.83 2fyx s VAL 54 Ca -0.06 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2fyx s VAL 54 Cb -0.11 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2fyx s VAL 54 CO 0.01 0.20 0.63 -0.04 0.00 0.00 0.00 175.10 175.91 2fyx s MET 55 N 1.36 2.79 0.48 2.72 -1.94 0.24 -5.00 119.30 119.95 2fyx s MET 55 Ca 0.01 -1.00 0.17 0.00 -1.71 0.00 0.00 55.69 53.17 2fyx s MET 55 Cb -0.16 -2.66 1.18 0.00 2.01 0.00 0.00 34.83 35.20 2fyx s MET 55 CO -0.04 -0.38 2.03 -1.35 -0.01 0.00 0.00 175.02 175.28 2fyx h PRO 56 N 0.46 0.19 0.00 2.03 0.11 -1.93 -3.08 132.00 129.78 2fyx h PRO 56 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2fyx h PRO 56 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2fyx h PRO 56 CO 0.49 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2fyx n ASP 57 N -4.46 1.48 -3.52 -2.05 5.75 -1.26 -1.16 116.55 111.34 2fyx n ASP 57 Ca 0.06 -1.55 -0.11 0.00 -0.01 0.00 0.00 54.79 53.18 2fyx n ASP 57 Cb 0.35 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 2fyx n ASP 57 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2fyx s TYR 58 N -0.55 -0.45 0.04 2.11 1.13 -1.16 -0.62 117.35 117.85 2fyx s TYR 58 Ca 0.00 0.19 0.08 0.00 -1.41 0.00 0.00 57.07 55.93 2fyx s TYR 58 Cb 0.00 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.41 2fyx s TYR 58 CO 0.00 -0.92 -0.23 0.14 -2.51 0.00 0.00 175.55 172.03 2fyx s VAL 59 N -3.79 2.42 -0.20 -3.49 -7.23 -0.23 0.81 120.40 108.69 2fyx s VAL 59 Ca 0.03 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2fyx s VAL 59 Cb -0.02 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 35.00 2fyx s VAL 59 CO -0.09 0.36 -0.00 -2.28 -0.31 0.00 0.00 175.10 172.78 2fyx s HIS 60 N -0.85 1.53 0.02 2.82 5.04 -0.15 -2.25 115.29 121.44 2fyx s HIS 60 Ca 0.13 -1.15 -0.00 0.00 -1.54 0.00 0.00 55.06 52.50 2fyx s HIS 60 Cb -0.10 -1.23 -0.04 0.00 0.04 0.00 0.00 32.58 31.25 2fyx s HIS 60 CO 0.03 -0.66 0.10 -0.51 -2.34 0.00 0.00 174.74 171.37 2fyx s LEU 61 N 1.69 3.98 -0.22 8.88 1.02 0.43 -0.33 118.68 134.13 2fyx s LEU 61 Ca -0.02 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.29 2fyx s LEU 61 Cb -0.17 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.66 2fyx s LEU 61 CO -0.07 0.25 -0.14 -0.22 0.02 0.00 0.00 176.35 176.18 2fyx s LEU 62 N -1.94 2.72 -0.13 1.79 2.96 0.33 -0.77 118.68 123.64 2fyx s LEU 62 Ca 0.25 -0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2fyx s LEU 62 Cb -0.12 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2fyx s LEU 62 CO 0.17 -0.07 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.27 2fyx s LEU 63 N 1.26 2.90 -0.13 -0.68 1.43 -0.07 -0.11 118.68 123.28 2fyx s LEU 63 Ca 0.01 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2fyx s LEU 63 Cb -0.16 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2fyx s LEU 63 CO -0.09 0.18 0.32 -0.83 0.23 0.00 0.00 176.35 176.16 2fyx s GLY 64 N 0.29 2.26 0.32 -3.19 0.00 0.27 -0.81 107.32 106.47 2fyx s GLY 64 Ca -0.08 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.27 2fyx s GLY 64 CO 0.05 0.40 0.15 0.00 0.00 0.00 0.00 173.10 173.70 2fyx s ALA 65 N 0.22 2.09 0.28 3.20 0.00 -0.44 -1.63 121.76 125.49 2fyx s ALA 65 Ca 0.18 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.50 2fyx s ALA 65 Cb -0.14 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2fyx s ALA 65 CO 0.06 -0.48 0.21 0.95 0.00 0.00 0.00 175.76 176.50 2fyx s THR 66 N -3.54 4.02 0.48 0.00 -4.23 -1.26 -4.12 115.64 106.99 2fyx s THR 66 Ca 0.34 -1.44 0.18 0.00 -1.18 0.00 0.00 61.69 59.59 2fyx s THR 66 Cb 0.05 -3.28 0.33 0.00 1.34 0.00 0.00 72.50 70.95 2fyx s THR 66 CO 0.17 -0.29 2.02 -0.65 -0.54 0.00 0.00 174.62 175.34 2fyx h PRO 67 N 1.44 0.19 0.00 3.99 0.11 -1.99 -1.91 132.00 133.83 2fyx h PRO 67 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fyx h PRO 67 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2fyx h PRO 67 CO 0.60 0.13 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 2fyx n GLN 68 N -4.46 0.20 -2.13 1.05 3.00 -1.26 -4.76 117.38 109.02 2fyx n GLN 68 Ca 0.07 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 2fyx n GLN 68 Cb 0.37 -1.76 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 2fyx n GLN 68 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2fyx s HIS 69 N -3.12 3.19 -0.25 1.08 3.76 -0.72 -5.00 115.29 114.23 2fyx s HIS 69 Ca 0.10 1.00 -0.07 0.00 -0.15 0.00 0.00 55.06 55.94 2fyx s HIS 69 Cb 0.13 -3.71 -0.02 0.00 1.11 0.00 0.00 32.58 30.08 2fyx s HIS 69 CO 0.54 -2.41 0.06 0.08 -0.85 0.00 0.00 174.74 172.16 2fyx s VAL 70 N 0.63 4.17 0.15 -0.90 1.01 -1.26 -4.92 120.40 119.28 2fyx s VAL 70 Ca 0.62 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 2fyx s VAL 70 Cb -0.38 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2fyx s VAL 70 CO 0.35 0.33 1.61 0.40 0.00 0.00 0.00 175.10 177.79 2fyx h ILE 71 N 5.58 0.31 -0.10 2.22 2.04 -1.98 -1.30 117.51 124.28 2fyx h ILE 71 Ca -0.38 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2fyx h ILE 71 Cb 1.17 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2fyx h ILE 71 CO 0.58 0.00 0.08 -0.65 0.00 0.00 0.00 178.15 178.16 2fyx h PRO 72 N -0.32 0.00 -0.05 2.37 0.11 -1.99 0.12 132.00 132.25 2fyx h PRO 72 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2fyx h PRO 72 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2fyx h PRO 72 CO -0.41 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 176.87 2fyx h ASP 73 N 0.00 0.16 0.90 -2.05 3.32 -1.69 -1.69 116.42 115.37 2fyx h ASP 73 Ca 0.05 -0.53 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 2fyx h ASP 73 Cb 0.21 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2fyx h ASP 73 CO -0.00 0.66 -0.64 2.19 -1.72 0.00 0.00 179.24 179.73 2fyx h PHE 74 N -0.34 0.00 -0.27 4.55 -5.15 -0.74 -1.12 116.94 113.86 2fyx h PHE 74 Ca 0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 2fyx h PHE 74 Cb 0.63 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.78 2fyx h PHE 74 CO 0.11 0.64 0.14 0.28 -2.00 0.00 0.00 178.31 177.48 2fyx h VAL 75 N 0.00 1.00 -0.73 0.88 2.07 -0.76 0.74 116.25 119.44 2fyx h VAL 75 Ca -0.01 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2fyx h VAL 75 Cb 1.26 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2fyx h VAL 75 CO 0.08 0.05 0.47 0.50 0.02 0.00 0.00 177.57 178.70 2fyx h LYS 76 N 0.29 0.90 -0.07 1.57 3.64 -1.12 0.88 116.57 122.66 2fyx h LYS 76 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2fyx h LYS 76 Cb 0.03 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2fyx h LYS 76 CO -0.07 0.60 0.05 0.00 -2.27 0.00 0.00 179.45 177.75 2fyx h ALA 77 N 1.30 0.10 -0.16 5.00 0.00 -0.96 0.15 119.26 124.68 2fyx h ALA 77 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2fyx h ALA 77 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2fyx h ALA 77 CO -0.09 -0.39 0.05 -0.07 0.00 0.00 0.00 179.25 178.74 2fyx h LEU 78 N 0.06 0.23 -0.12 0.00 3.38 -0.46 -0.75 115.31 117.66 2fyx h LEU 78 Ca 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2fyx h LEU 78 Cb 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2fyx h LEU 78 CO -0.01 0.38 -0.09 0.11 0.09 0.00 0.00 178.44 178.92 2fyx h LYS 79 N 0.07 0.27 -0.00 1.13 1.57 -0.84 -1.81 116.57 116.96 2fyx h LYS 79 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2fyx h LYS 79 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2fyx h LYS 79 CO -0.00 0.66 -0.00 0.78 -0.57 0.00 0.00 179.45 180.31 2fyx h GLY 80 N -0.11 0.01 1.56 3.86 0.00 -0.73 -1.37 103.07 106.30 2fyx h GLY 80 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2fyx h GLY 80 CO 0.02 0.01 -0.27 0.00 0.00 0.00 0.00 176.54 176.30 2fyx h ALA 81 N 0.59 1.05 -0.61 3.60 0.00 -1.24 -1.94 119.26 120.71 2fyx h ALA 81 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2fyx h ALA 81 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2fyx h ALA 81 CO 0.00 0.58 0.02 0.66 0.00 0.00 0.00 179.25 180.51 2fyx h SER 82 N 0.44 1.04 -0.24 0.00 4.64 -1.29 -0.88 113.55 117.26 2fyx h SER 82 Ca 0.06 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2fyx h SER 82 Cb 0.71 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2fyx h SER 82 CO 0.05 1.07 0.10 0.00 -0.87 0.00 0.00 176.83 177.19 2fyx h ALA 83 N 1.03 0.31 -0.23 5.18 0.00 -1.02 -0.34 119.26 124.18 2fyx h ALA 83 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2fyx h ALA 83 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2fyx h ALA 83 CO 0.03 -0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.30 2fyx h ARG 84 N 0.24 0.25 -0.05 0.00 -0.00 -1.15 -0.59 114.38 113.08 2fyx h ARG 84 Ca 0.08 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.98 59.39 2fyx h ARG 84 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 2fyx h ARG 84 CO -0.01 0.17 -0.67 0.00 0.00 0.00 0.00 179.97 179.46 2fyx h ARG 85 N 0.26 0.21 -0.39 0.04 3.08 -1.04 -1.95 114.38 114.58 2fyx h ARG 85 Ca 0.09 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2fyx h ARG 85 Cb 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2fyx h ARG 85 CO -0.05 0.80 -0.25 0.52 -1.07 0.00 0.00 179.97 179.91 2fyx h MET 86 N 0.14 0.86 -0.31 0.04 2.86 -0.84 -0.48 114.93 117.21 2fyx h MET 86 Ca -0.01 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.18 2fyx h MET 86 Cb 1.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2fyx h MET 86 CO 0.10 1.05 0.00 0.74 1.06 0.00 0.00 176.91 179.86 2fyx h PHE 87 N 0.67 0.48 -0.03 -0.22 0.04 -1.00 0.46 116.94 117.34 2fyx h PHE 87 Ca 0.08 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2fyx h PHE 87 Cb 0.83 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 2fyx h PHE 87 CO 0.06 0.47 0.00 0.77 -0.60 0.00 0.00 178.31 179.02 2fyx h SER 88 N 0.45 0.05 0.37 2.17 0.02 -1.13 -2.75 113.55 112.73 2fyx h SER 88 Ca 0.10 -0.29 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 2fyx h SER 88 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2fyx h SER 88 CO 0.01 0.33 -0.61 0.00 -1.14 0.00 0.00 176.83 175.41 2fyx h ALA 89 N 0.73 0.84 -2.49 3.77 0.00 -0.83 -3.38 119.26 117.89 2fyx h ALA 89 Ca 0.01 -0.55 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 2fyx h ALA 89 Cb 0.30 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 2fyx h ALA 89 CO 0.00 0.73 -0.86 1.19 0.00 0.00 0.00 179.25 180.31 2fyx n PHE 90 N -3.87 0.60 0.27 0.00 3.72 0.16 -4.97 117.46 113.38 2fyx n PHE 90 Ca -0.02 -3.67 0.18 0.00 -0.05 0.00 0.00 57.45 53.89 2fyx n PHE 90 Cb 0.62 -0.12 0.93 0.00 -0.94 0.00 0.00 39.48 39.98 2fyx n PHE 90 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2fyx h PRO 91 N 5.23 0.00 0.00 -1.08 0.11 -1.67 -1.17 132.00 133.41 2fyx h PRO 91 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2fyx h PRO 91 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2fyx h PRO 91 CO 0.51 0.00 -0.00 1.12 -0.21 0.00 0.00 178.00 179.42 2fyx h HIS 92 N 0.00 0.00 0.00 0.65 2.07 -1.93 -1.29 115.15 114.65 2fyx h HIS 92 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2fyx h HIS 92 Cb 0.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 2fyx h HIS 92 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 2fyx h LEU 93 N 0.00 0.00 -8.33 6.12 3.38 -1.56 -3.38 115.31 111.54 2fyx h LEU 93 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2fyx h LEU 93 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2fyx h LEU 93 CO 0.00 0.00 1.13 -0.54 0.09 0.00 0.00 178.44 179.12 2fyx s LYS 94 N -3.38 2.85 -0.38 1.13 1.02 -0.49 -4.20 119.74 116.29 2fyx s LYS 94 Ca 0.04 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 55.96 2fyx s LYS 94 Cb 0.09 -4.71 0.14 0.00 -0.52 0.00 0.00 37.83 32.83 2fyx s LYS 94 CO 0.48 -2.75 0.21 -0.65 -0.92 0.00 0.00 175.35 171.72 2fyx s GLN 95 N 6.49 0.79 0.56 1.68 -0.21 -1.26 -4.99 119.66 122.72 2fyx s GLN 95 Ca 0.59 -1.52 0.28 0.00 0.02 0.00 0.00 55.36 54.74 2fyx s GLN 95 Cb -0.08 -1.66 1.47 0.00 1.00 0.00 0.00 33.01 33.74 2fyx s GLN 95 CO 0.08 -1.18 1.95 -1.35 -2.12 0.00 0.00 175.29 172.67 2fyx h PRO 96 N 7.00 0.00 -0.80 2.91 0.11 -1.91 0.10 132.00 139.41 2fyx h PRO 96 Ca 0.02 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.23 2fyx h PRO 96 Cb 0.96 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 2fyx h PRO 96 CO 0.35 0.00 0.52 1.25 -0.21 0.00 0.00 178.00 179.91 2fyx h HIS 97 N 0.00 0.78 -0.81 0.65 2.76 -1.99 -1.57 115.15 114.97 2fyx h HIS 97 Ca 0.26 0.02 -0.35 0.00 -2.20 0.00 0.00 60.37 58.10 2fyx h HIS 97 Cb 1.18 -0.25 -0.21 0.00 1.55 0.00 0.00 27.41 29.68 2fyx h HIS 97 CO 0.00 0.36 0.42 0.91 -1.30 0.00 0.00 177.93 178.32 2fyx n TRP 98 N -4.51 2.59 -1.45 5.26 7.02 -0.02 -4.90 117.44 121.42 2fyx n TRP 98 Ca 0.14 -1.54 -0.16 0.00 -1.02 0.00 0.00 57.50 54.91 2fyx n TRP 98 Cb 0.33 -0.79 -0.07 0.00 -2.42 0.00 0.00 31.31 28.37 2fyx n TRP 98 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2fyx n GLY 99 N -0.74 1.52 2.09 6.99 0.00 -0.59 -1.19 105.19 113.27 2fyx n GLY 99 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 2fyx n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fyx n GLY 100 N -0.10 0.48 4.93 -0.02 0.00 0.14 -4.67 105.19 105.95 2fyx n GLY 100 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2fyx n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fyx n ASN 101 N 0.53 0.00 -4.34 1.61 3.02 -0.34 -4.56 115.26 111.18 2fyx n ASN 101 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 2fyx n ASN 101 Cb 0.06 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.11 2fyx n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2fyx s LEU 102 N 0.00 4.26 0.22 3.41 1.02 -1.26 0.41 118.68 126.74 2fyx s LEU 102 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.26 2fyx s LEU 102 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2fyx s LEU 102 CO 0.00 -0.28 0.14 0.26 0.02 0.00 0.00 176.35 176.48 2fyx s TRP 103 N 1.50 1.27 0.34 0.29 0.52 -1.26 -4.96 118.94 116.64 2fyx s TRP 103 Ca 0.01 -1.38 -0.28 0.00 0.02 0.00 0.00 56.10 54.47 2fyx s TRP 103 Cb -0.18 -0.62 -0.12 0.00 -1.15 0.00 0.00 33.47 31.39 2fyx s TRP 103 CO 0.04 -0.62 1.40 -1.71 0.02 0.00 0.00 176.95 176.08 2fyx n ASN 104 N -0.42 3.24 0.25 2.95 2.85 0.01 -4.45 115.26 119.70 2fyx n ASN 104 Ca 0.02 1.20 0.17 0.00 -0.11 0.00 0.00 54.58 55.87 2fyx n ASN 104 Cb 0.66 -1.54 0.82 0.00 1.24 0.00 0.00 39.78 40.95 2fyx n ASN 104 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2fyx h PRO 105 N 3.07 0.00 -7.15 1.20 0.13 -1.96 -3.44 132.00 123.86 2fyx h PRO 105 Ca -0.48 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.16 2fyx h PRO 105 Cb 1.26 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.44 2fyx h PRO 105 CO 0.66 0.00 0.24 0.45 -0.23 0.00 0.00 178.00 179.12 2fyx s SER 106 N -5.00 5.96 0.13 1.44 0.15 -1.26 -5.10 113.70 110.01 2fyx s SER 106 Ca -0.01 1.00 -0.03 0.00 0.70 0.00 0.00 55.95 57.61 2fyx s SER 106 Cb 0.10 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2fyx s SER 106 CO 0.42 -0.88 0.12 -0.72 1.20 0.00 0.00 173.24 173.38 2fyx s TYR 107 N -2.99 0.70 -0.06 3.44 1.13 -1.26 -4.60 117.35 113.70 2fyx s TYR 107 Ca 0.52 -1.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.14 2fyx s TYR 107 Cb -0.11 -0.35 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 2fyx s TYR 107 CO 0.48 -0.57 -0.16 0.00 -2.51 0.00 0.00 175.55 172.79 2fyx s VAL 109 N 0.40 0.91 -0.01 0.00 0.11 -1.26 -0.67 120.40 119.87 2fyx s VAL 109 Ca -0.12 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2fyx s VAL 109 Cb -0.15 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2fyx s VAL 109 CO 0.04 0.32 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.35 2fyx s LEU 110 N 0.99 1.63 0.58 2.54 1.43 0.12 -4.98 118.68 120.98 2fyx s LEU 110 Ca -0.09 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 2fyx s LEU 110 Cb -0.15 -0.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.83 2fyx s LEU 110 CO 0.00 -0.02 1.02 0.42 0.23 0.00 0.00 176.35 177.99 2fyx s THR 111 N 0.42 4.51 0.23 5.49 -4.23 -1.26 -0.37 115.64 120.43 2fyx s THR 111 Ca -0.04 1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 61.17 2fyx s THR 111 Cb -0.07 -3.73 -0.15 0.00 1.34 0.00 0.00 72.50 69.90 2fyx s THR 111 CO -0.01 -0.88 1.18 0.52 -0.54 0.00 0.00 174.62 174.90 2fyx n VAL 112 N -2.21 1.26 -3.86 2.29 0.31 -1.26 -4.91 118.33 109.94 2fyx n VAL 112 Ca 0.07 -0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 2fyx n VAL 112 Cb 0.54 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2fyx n VAL 112 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2fyx s SER 113 N -0.10 0.05 0.21 4.52 1.04 -1.26 -5.02 113.70 113.14 2fyx s SER 113 Ca 0.67 -1.06 0.22 0.00 0.48 0.00 0.00 55.95 56.26 2fyx s SER 113 Cb -0.75 0.79 0.91 0.00 0.10 0.00 0.00 66.02 67.08 2fyx s SER 113 CO 0.54 -1.55 1.67 -0.62 0.98 0.00 0.00 173.24 174.26 2fyx n GLU 114 N -0.51 0.16 -0.09 4.02 4.71 -1.26 -3.17 120.64 124.50 2fyx n GLU 114 Ca -0.06 0.38 0.11 0.00 -0.01 0.00 0.00 57.16 57.58 2fyx n GLU 114 Cb 0.60 -1.80 0.15 0.00 -1.01 0.00 0.00 31.44 29.37 2fyx n GLU 114 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2fyx n HIS 115 N -2.10 0.24 -0.23 -0.32 8.25 -1.26 -4.70 115.22 115.09 2fyx n HIS 115 Ca 0.02 -0.13 0.04 0.00 -0.26 0.00 0.00 57.72 57.39 2fyx n HIS 115 Cb 0.23 -0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.49 2fyx n HIS 115 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2fyx h THR 116 N 4.29 0.55 -0.36 1.59 2.02 -1.91 0.13 112.91 119.21 2fyx h THR 116 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2fyx h THR 116 Cb 0.94 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2fyx h THR 116 CO 0.00 0.05 0.21 0.03 0.37 0.00 0.00 175.52 176.18 2fyx h ARG 117 N 0.25 0.49 -0.48 6.66 2.47 -1.88 -1.15 114.38 120.74 2fyx h ARG 117 Ca 0.38 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.94 2fyx h ARG 117 Cb 0.62 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2fyx h ARG 117 CO -0.48 0.37 -0.14 0.00 0.56 0.00 0.00 179.97 180.28 2fyx h ALA 118 N 1.09 0.85 -0.44 0.04 0.00 -1.69 -1.10 119.26 118.00 2fyx h ALA 118 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2fyx h ALA 118 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2fyx h ALA 118 CO -0.02 0.65 0.26 1.96 0.00 0.00 0.00 179.25 182.09 2fyx h GLN 119 N 0.80 0.51 -0.36 0.00 4.20 -0.59 0.13 115.11 119.80 2fyx h GLN 119 Ca 0.12 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2fyx h GLN 119 Cb 0.67 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2fyx h GLN 119 CO 0.05 0.34 -0.08 0.82 -0.67 0.00 0.00 178.83 179.29 2fyx h ILE 120 N 0.53 1.28 -0.42 2.54 2.04 -0.96 -0.88 117.51 121.64 2fyx h ILE 120 Ca 0.17 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2fyx h ILE 120 Cb 0.01 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2fyx h ILE 120 CO -0.08 0.37 0.20 1.56 0.00 0.00 0.00 178.15 180.21 2fyx h GLN 121 N 0.48 0.60 -0.30 2.37 4.20 -1.00 -1.04 115.11 120.42 2fyx h GLN 121 Ca 0.09 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2fyx h GLN 121 Cb 0.58 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 2fyx h GLN 121 CO 0.03 0.52 -0.09 0.37 -0.67 0.00 0.00 178.83 178.98 2fyx h GLN 122 N 0.53 -0.03 -0.05 1.46 4.15 -0.85 -0.44 115.11 119.88 2fyx h GLN 122 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2fyx h GLN 122 Cb 0.11 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2fyx h GLN 122 CO -0.02 -0.02 0.03 -0.92 -1.93 0.00 0.00 178.83 175.97 2fyx h TYR 123 N -0.03 0.06 -0.58 3.99 3.20 -0.77 -0.93 116.97 121.90 2fyx h TYR 123 Ca 0.15 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2fyx h TYR 123 Cb 0.25 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2fyx h TYR 123 CO -0.30 0.09 0.22 0.82 -1.64 0.00 0.00 178.16 177.35 2fyx h ILE 124 N 0.01 1.23 0.00 1.81 1.08 -1.06 -2.44 117.51 118.13 2fyx h ILE 124 Ca 0.02 -0.74 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2fyx h ILE 124 Cb 0.05 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2fyx h ILE 124 CO -0.00 0.28 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.29 2fyx h GLU 125 N 0.81 0.00 0.00 2.37 3.07 -0.78 -1.59 114.58 118.45 2fyx h GLU 125 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2fyx h GLU 125 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2fyx h GLU 125 CO -0.01 0.12 0.00 0.09 -1.40 0.00 0.00 179.01 177.80 2fyx n ASN 126 N -4.17 0.00 -4.65 1.42 3.02 -0.38 -4.64 115.26 105.86 2fyx n ASN 126 Ca -0.02 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 2fyx n ASN 126 Cb 0.20 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2fyx n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2fyx s GLN 127 N -2.86 4.19 0.18 3.52 -1.52 -0.60 -5.05 119.66 117.52 2fyx s GLN 127 Ca 0.17 0.70 -0.13 0.00 -1.95 0.00 0.00 55.36 54.15 2fyx s GLN 127 Cb 0.18 -3.61 -0.07 0.00 -0.22 0.00 0.00 33.01 29.29 2fyx s GLN 127 CO 0.46 -0.34 0.56 -1.01 -0.25 0.00 0.00 175.29 174.71 2fyx s HIS 128 N 2.23 3.54 -0.46 0.91 3.76 -1.26 -4.92 115.29 119.09 2fyx s HIS 128 Ca 0.30 1.01 0.04 0.00 -0.15 0.00 0.00 55.06 56.26 2fyx s HIS 128 Cb -0.16 -2.34 0.52 0.00 1.11 0.00 0.00 32.58 31.71 2fyx s HIS 128 CO 0.10 0.36 1.72 0.00 -0.85 0.00 0.00 174.74 176.07 2fyx n ALA 129 N 0.44 5.45 1.10 -1.40 0.00 -1.26 -4.38 120.51 120.45 2fyx n ALA 129 Ca -0.03 -3.33 0.09 0.00 0.00 0.00 0.00 53.44 50.17 2fyx n ALA 129 Cb 0.52 -1.19 0.52 0.00 0.00 0.00 0.00 19.45 19.30 2fyx n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50