#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n MET 7 N 0.00 0.00 0.00 -0.14 2.81 -1.26 -5.15 117.12 113.38 3f1f n MET 7 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3f1f n MET 7 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3f1f n MET 7 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3f1f n LYS 8 N -2.35 0.00 -3.17 0.03 2.85 -1.26 -4.64 118.16 109.62 3f1f n LYS 8 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 3f1f n LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 3f1f n LYS 8 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3f1f s TYR 9 N 0.00 -1.58 0.00 5.58 -0.00 -1.26 -5.16 117.35 114.93 3f1f s TYR 9 Ca 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 57.07 58.55 3f1f s TYR 9 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 41.96 42.41 3f1f s TYR 9 CO 0.00 -0.91 0.00 0.54 -0.00 0.00 0.00 175.55 175.18 3f1f n ARG 10 N 5.42 0.00 -4.36 -3.49 5.12 -1.26 -4.80 116.66 113.29 3f1f n ARG 10 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 3f1f n ARG 10 Cb 0.52 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.69 3f1f n ARG 10 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3f1f s LYS 11 N 0.00 1.31 0.01 5.56 1.02 -1.26 -4.88 119.74 121.51 3f1f s LYS 11 Ca 0.00 -1.32 0.04 0.00 0.02 0.00 0.00 55.97 54.71 3f1f s LYS 11 Cb 0.00 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3f1f s LYS 11 CO 0.00 0.39 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.55 3f1f s GLN 12 N -2.15 0.90 0.95 1.68 0.74 -1.26 -5.06 119.66 115.46 3f1f s GLN 12 Ca 0.13 -0.57 -0.12 0.00 0.05 0.00 0.00 55.36 54.85 3f1f s GLN 12 Cb -0.09 -0.88 0.10 0.00 1.10 0.00 0.00 33.01 33.24 3f1f s GLN 12 CO 0.06 0.23 0.78 1.04 -0.55 0.00 0.00 175.29 176.84 3f1f n GLN 13 N 2.35 -0.51 0.08 1.67 6.02 -1.26 -4.88 117.38 120.85 3f1f n GLN 13 Ca -0.16 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.64 3f1f n GLN 13 Cb 0.55 -2.12 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 3f1f n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f1f h ARG 14 N -1.80 -0.28 -2.68 -1.09 -0.00 -2.00 -3.50 114.38 103.03 3f1f h ARG 14 Ca -0.44 0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.08 3f1f h ARG 14 Cb 1.28 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.30 3f1f h ARG 14 CO 0.38 0.06 -0.72 0.41 0.00 0.00 0.00 179.97 180.10 3f1f n GLY 15 N 0.65 -3.67 3.45 0.04 0.00 -1.26 -4.99 105.19 99.41 3f1f n GLY 15 Ca -0.07 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 3f1f n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1f n ARG 16 N -2.43 -0.40 -3.06 1.61 0.63 -1.26 -5.04 116.66 106.71 3f1f n ARG 16 Ca -0.01 -2.23 -0.25 0.00 -0.92 0.00 0.00 57.85 54.44 3f1f n ARG 16 Cb 0.36 -0.80 -0.04 0.00 0.45 0.00 0.00 32.46 32.43 3f1f n ARG 16 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3f1f n LEU 17 N 0.00 3.53 -4.32 6.15 4.77 -1.26 -5.10 117.00 120.78 3f1f n LEU 17 Ca 0.15 -5.49 -0.29 0.00 -0.03 0.00 0.00 56.01 50.35 3f1f n LEU 17 Cb 0.52 -0.28 0.26 0.00 -2.33 0.00 0.00 43.42 41.59 3f1f n LEU 17 CO 0.36 2.30 0.27 0.29 -1.33 0.00 0.00 177.39 179.27 3f1f n LYS 18 N 0.06 -3.26 -0.43 3.23 5.02 -1.26 -4.82 118.16 116.71 3f1f n LYS 18 Ca 0.29 -0.94 -0.14 0.00 -2.02 0.00 0.00 58.31 55.50 3f1f n LYS 18 Cb 0.45 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3f1f n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1f n GLY 19 N 1.59 -1.01 1.39 0.72 0.00 -1.26 -4.65 105.19 101.98 3f1f n GLY 19 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3f1f n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f n ALA 20 N -0.43 3.11 -1.00 4.61 0.00 -1.26 -4.69 120.51 120.86 3f1f n ALA 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3f1f n ALA 20 Cb 0.15 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3f1f n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f1f n THR 21 N 1.26 0.00 0.33 0.00 -2.24 -1.26 -2.10 114.28 110.27 3f1f n THR 21 Ca 0.00 0.66 0.15 0.00 -2.27 0.00 0.00 64.05 62.59 3f1f n THR 21 Cb 0.40 -1.30 0.63 0.00 -2.10 0.00 0.00 70.33 67.96 3f1f n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3f1f h LYS 22 N 0.00 0.00 -5.23 -0.78 3.11 -1.96 -3.39 116.57 108.33 3f1f h LYS 22 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3f1f h LYS 22 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 3f1f h LYS 22 CO 0.00 0.00 0.14 0.41 -2.81 0.00 0.00 179.45 177.19 3f1f n GLY 23 N -0.15 -0.27 0.00 5.01 0.00 -0.89 -4.60 105.19 104.29 3f1f n GLY 23 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3f1f n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 24 N 6.46 -1.00 0.00 -0.02 0.00 -1.26 -3.57 105.19 105.79 3f1f n GLY 24 Ca 0.45 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3f1f n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f1f n ASP 25 N 3.00 0.49 -4.08 1.61 8.00 -1.21 -4.59 116.55 119.78 3f1f n ASP 25 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3f1f n ASP 25 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3f1f n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3f1f s TYR 26 N -0.07 0.70 -0.18 1.24 -0.85 -1.26 -4.85 117.35 112.09 3f1f s TYR 26 Ca 0.00 -1.01 -0.29 0.00 -0.52 0.00 0.00 57.07 55.25 3f1f s TYR 26 Cb 0.00 -0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.14 3f1f s TYR 26 CO 0.00 -0.78 1.39 0.08 -1.52 0.00 0.00 175.55 174.72 3f1f s VAL 27 N -4.07 4.05 0.00 -3.49 1.01 -1.26 -4.86 120.40 111.78 3f1f s VAL 27 Ca 0.28 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3f1f s VAL 27 Cb 0.03 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3f1f s VAL 27 CO 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 175.10 174.98 3f1f n ALA 28 N 7.15 0.00 -3.10 5.51 0.00 -1.26 -4.98 120.51 123.83 3f1f n ALA 28 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 3f1f n ALA 28 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 3f1f n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f1f n PHE 29 N -1.15 -2.49 -0.69 0.00 3.01 -1.26 -5.08 117.46 109.81 3f1f n PHE 29 Ca 0.00 -0.95 0.08 0.00 1.01 0.00 0.00 57.45 57.60 3f1f n PHE 29 Cb 0.00 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.19 3f1f n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3f1f n GLY 30 N 1.90 -2.87 0.20 1.37 0.00 -1.26 -4.74 105.19 99.78 3f1f n GLY 30 Ca 0.06 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 3f1f n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f1f h ASP 31 N -0.68 0.91 -5.66 1.61 3.32 -0.82 -3.48 116.42 111.62 3f1f h ASP 31 Ca -0.09 -0.73 -0.39 0.00 0.02 0.00 0.00 57.03 55.84 3f1f h ASP 31 Cb 0.66 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 39.79 3f1f h ASP 31 CO 0.03 1.52 -0.54 -0.36 -1.72 0.00 0.00 179.24 178.17 3f1f s PHE 32 N -3.35 1.55 0.40 4.55 0.40 -0.94 -4.35 117.98 116.23 3f1f s PHE 32 Ca -0.10 -1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 54.55 3f1f s PHE 32 Cb 0.07 -0.68 0.06 0.00 0.51 0.00 0.00 43.02 42.97 3f1f s PHE 32 CO 0.92 -0.76 0.78 0.20 0.70 0.00 0.00 175.22 177.06 3f1f s GLY 33 N -3.31 0.49 -0.10 4.36 0.00 -0.94 -1.72 107.32 106.11 3f1f s GLY 33 Ca 0.40 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.28 3f1f s GLY 33 CO 0.21 -0.38 -0.13 -2.27 0.00 0.00 0.00 173.10 170.54 3f1f s LEU 34 N -3.10 1.58 0.05 0.66 2.96 -0.63 -1.66 118.68 118.54 3f1f s LEU 34 Ca 0.17 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3f1f s LEU 34 Cb -0.05 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3f1f s LEU 34 CO 0.13 -0.01 -0.10 0.54 -1.32 0.00 0.00 176.35 175.59 3f1f s VAL 35 N 1.06 3.42 -0.12 1.68 0.11 0.40 -0.38 120.40 126.56 3f1f s VAL 35 Ca -0.06 -1.03 -0.24 0.00 -2.93 0.00 0.00 61.98 57.72 3f1f s VAL 35 Cb -0.15 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.16 3f1f s VAL 35 CO -0.02 0.28 0.77 0.00 -3.33 0.00 0.00 175.10 172.80 3f1f s ALA 36 N -1.07 3.43 -0.50 1.54 0.00 -0.66 -1.96 121.76 122.54 3f1f s ALA 36 Ca 0.19 0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.46 3f1f s ALA 36 Cb -0.11 -3.11 0.29 0.00 0.00 0.00 0.00 23.12 20.19 3f1f s ALA 36 CO 0.10 -0.41 1.33 -0.07 0.00 0.00 0.00 175.76 176.71 3f1f h LEU 37 N 7.63 0.00 -7.91 0.00 3.38 -1.46 0.64 115.31 117.59 3f1f h LEU 37 Ca -0.35 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.31 3f1f h LEU 37 Cb 1.16 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.67 3f1f h LEU 37 CO 0.79 0.05 -0.72 -1.61 0.09 0.00 0.00 178.44 177.04 3f1f s GLU 38 N -3.23 0.25 0.46 1.13 2.02 -1.25 -4.61 118.70 113.47 3f1f s GLU 38 Ca 0.05 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.44 3f1f s GLU 38 Cb 0.11 -0.05 -0.08 0.00 0.10 0.00 0.00 34.13 34.21 3f1f s GLU 38 CO 0.72 0.00 1.09 -2.14 0.02 0.00 0.00 175.26 174.95 3f1f s PRO 39 N -0.82 3.85 -0.14 0.39 0.02 -1.26 -4.29 135.00 132.75 3f1f s PRO 39 Ca -0.07 1.55 -0.34 0.00 0.02 0.00 0.00 61.00 62.15 3f1f s PRO 39 Cb -0.06 -2.31 0.14 0.00 0.02 0.00 0.00 34.50 32.29 3f1f s PRO 39 CO -0.00 -0.42 1.27 0.00 -0.33 0.00 0.00 177.00 177.52 3f1f s ALA 40 N -1.74 -2.17 -0.29 -1.55 0.00 0.12 -4.99 121.76 111.14 3f1f s ALA 40 Ca 0.64 1.32 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 3f1f s ALA 40 Cb -0.22 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3f1f s ALA 40 CO 0.27 -0.76 0.62 -1.58 0.00 0.00 0.00 175.76 174.30 3f1f s TRP 41 N -2.34 3.23 -0.18 0.00 0.51 -1.26 -1.62 118.94 117.27 3f1f s TRP 41 Ca 0.12 0.62 -0.15 0.00 -2.12 0.00 0.00 56.10 54.57 3f1f s TRP 41 Cb 0.01 -2.94 -0.04 0.00 -0.81 0.00 0.00 33.47 29.69 3f1f s TRP 41 CO -0.04 -0.43 0.33 0.42 -0.51 0.00 0.00 176.95 176.72 3f1f s ILE 42 N 2.56 5.26 0.66 2.03 1.09 -0.47 -4.87 121.20 127.46 3f1f s ILE 42 Ca 0.25 0.59 -0.11 0.00 -1.10 0.00 0.00 60.65 60.28 3f1f s ILE 42 Cb -0.15 -3.67 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 3f1f s ILE 42 CO 0.11 0.32 1.05 0.42 -0.10 0.00 0.00 174.94 176.74 3f1f s THR 43 N 0.90 4.22 0.11 2.92 -4.23 -1.26 -0.23 115.64 118.07 3f1f s THR 43 Ca 0.17 0.75 -0.33 0.00 -1.18 0.00 0.00 61.69 61.10 3f1f s THR 43 Cb -0.14 -3.54 -0.13 0.00 1.34 0.00 0.00 72.50 70.03 3f1f s THR 43 CO 0.06 -0.92 1.54 0.00 -0.54 0.00 0.00 174.62 174.76 3f1f h ALA 44 N -0.49 -0.92 -0.59 3.99 0.00 -1.42 -1.89 119.26 117.94 3f1f h ALA 44 Ca -0.44 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.51 3f1f h ALA 44 Cb 1.20 0.97 -0.11 0.00 0.00 0.00 0.00 17.79 19.85 3f1f h ALA 44 CO 0.58 -1.09 -0.11 -0.56 0.00 0.00 0.00 179.25 178.07 3f1f h GLN 45 N -0.62 0.02 -0.58 0.00 -0.00 -1.87 0.82 115.11 112.88 3f1f h GLN 45 Ca 0.02 -0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.78 3f1f h GLN 45 Cb 0.69 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.48 28.08 3f1f h GLN 45 CO -0.38 0.02 0.12 1.96 -0.00 0.00 0.00 178.83 180.54 3f1f h GLN 46 N 0.03 0.24 0.11 0.06 4.20 -1.84 0.10 115.11 118.01 3f1f h GLN 46 Ca 0.29 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 3f1f h GLN 46 Cb 0.45 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3f1f h GLN 46 CO -0.58 0.16 -0.09 0.82 -0.67 0.00 0.00 178.83 178.46 3f1f h ILE 47 N 0.25 0.00 -1.11 2.54 2.04 -0.05 -2.42 117.51 118.76 3f1f h ILE 47 Ca 0.30 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.49 3f1f h ILE 47 Cb 0.44 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.41 3f1f h ILE 47 CO -0.39 0.00 0.70 -0.08 0.00 0.00 0.00 178.15 178.38 3f1f h GLU 48 N -0.19 0.29 -0.53 2.37 4.57 -1.22 0.30 114.58 120.17 3f1f h GLU 48 Ca -0.01 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 3f1f h GLU 48 Cb 0.17 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 3f1f h GLU 48 CO -0.00 0.19 0.18 0.00 -1.18 0.00 0.00 179.01 178.20 3f1f h ALA 49 N 1.66 0.66 -0.08 2.92 0.00 -0.33 -0.91 119.26 123.18 3f1f h ALA 49 Ca 0.68 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.64 3f1f h ALA 49 Cb 1.83 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 3f1f h ALA 49 CO -0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 178.59 3f1f h ALA 50 N 1.37 0.11 -2.11 0.00 0.00 -0.03 -2.60 119.26 115.99 3f1f h ALA 50 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f1f h ALA 50 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f1f h ALA 50 CO -0.27 -0.11 0.00 -2.13 0.00 0.00 0.00 179.25 176.74 3f1f n ARG 51 N -4.73 0.00 -0.40 0.00 0.63 -0.72 -0.54 116.66 110.90 3f1f n ARG 51 Ca -0.07 0.48 0.36 0.00 -0.92 0.00 0.00 57.85 57.70 3f1f n ARG 51 Cb 0.28 -1.15 0.71 0.00 0.45 0.00 0.00 32.46 32.75 3f1f n ARG 51 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3f1f h VAL 52 N 0.00 0.33 0.19 5.15 3.04 -1.29 1.29 116.25 124.96 3f1f h VAL 52 Ca 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 3f1f h VAL 52 Cb 0.00 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.53 3f1f h VAL 52 CO 0.00 0.01 -0.09 0.00 -1.01 0.00 0.00 177.57 176.48 3f1f h ALA 53 N 1.40 -0.26 -0.05 3.17 0.00 -0.86 -0.83 119.26 121.83 3f1f h ALA 53 Ca 0.66 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.50 3f1f h ALA 53 Cb 2.41 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 20.27 3f1f h ALA 53 CO -0.10 -0.60 -0.11 1.98 0.00 0.00 0.00 179.25 180.42 3f1f h MET 54 N -0.34 -0.16 0.13 0.00 -1.53 0.42 -2.01 114.93 111.44 3f1f h MET 54 Ca -0.03 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 3f1f h MET 54 Cb 0.27 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 3f1f h MET 54 CO 0.04 -0.10 -0.13 -0.39 0.14 0.00 0.00 176.91 176.47 3f1f h VAL 55 N -0.16 0.72 -0.72 -5.77 -1.51 -1.32 -1.74 116.25 105.75 3f1f h VAL 55 Ca 0.06 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.74 3f1f h VAL 55 Cb 0.24 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 30.09 3f1f h VAL 55 CO -0.15 0.00 0.64 -0.09 -1.23 0.00 0.00 177.57 176.74 3f1f h ARG 56 N -0.28 0.00 0.11 5.19 9.65 -0.54 -1.50 114.38 127.01 3f1f h ARG 56 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3f1f h ARG 56 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3f1f h ARG 56 CO -0.03 0.00 -0.05 1.25 2.80 0.00 0.00 179.97 183.93 3f1f h HIS 57 N 0.00 -0.14 -3.49 2.20 2.76 -0.62 -3.36 115.15 112.50 3f1f h HIS 57 Ca 0.34 -0.00 -0.76 0.00 -2.20 0.00 0.00 60.37 57.75 3f1f h HIS 57 Cb 1.63 0.05 -0.31 0.00 1.55 0.00 0.00 27.41 30.32 3f1f h HIS 57 CO 0.00 0.30 0.17 -0.59 -1.30 0.00 0.00 177.93 176.51 3f1f s PHE 58 N -2.81 4.05 0.33 5.26 -0.12 -0.58 -5.06 117.98 119.05 3f1f s PHE 58 Ca -0.11 -2.77 -0.27 0.00 -0.05 0.00 0.00 56.93 53.73 3f1f s PHE 58 Cb -0.00 -3.57 -0.13 0.00 -0.63 0.00 0.00 43.02 38.68 3f1f s PHE 58 CO 0.41 -0.87 1.07 2.89 -0.05 0.00 0.00 175.22 178.67 3f1f n ARG 59 N 2.69 1.53 -3.72 1.99 1.85 -1.09 -1.84 116.66 118.07 3f1f n ARG 59 Ca 0.21 0.54 -0.25 0.00 -1.00 0.00 0.00 57.85 57.35 3f1f n ARG 59 Cb 0.39 -2.00 0.05 0.00 -1.05 0.00 0.00 32.46 29.85 3f1f n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3f1f n ARG 60 N 0.55 -6.43 -1.86 2.89 1.74 -1.26 -4.96 116.66 107.32 3f1f n ARG 60 Ca 0.08 0.71 -0.10 0.00 -0.77 0.00 0.00 57.85 57.77 3f1f n ARG 60 Cb 0.35 -5.63 0.04 0.00 -1.02 0.00 0.00 32.46 26.20 3f1f n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1f n GLY 61 N -1.73 1.66 0.00 -0.13 0.00 -0.77 -5.12 105.19 99.10 3f1f n GLY 61 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3f1f n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 62 N 1.53 -2.92 2.79 -0.02 0.00 -1.26 -5.00 105.19 100.31 3f1f n GLY 62 Ca 0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 3f1f n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1f s LYS 63 N 0.00 0.25 -0.24 1.61 2.20 -0.69 -5.01 119.74 117.86 3f1f s LYS 63 Ca 0.00 0.14 -0.08 0.00 -0.36 0.00 0.00 55.97 55.66 3f1f s LYS 63 Cb 0.00 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 3f1f s LYS 63 CO 0.00 -0.19 0.09 0.42 -0.36 0.00 0.00 175.35 175.32 3f1f s ILE 64 N 1.32 4.61 0.18 5.43 1.01 -1.26 -1.44 121.20 131.05 3f1f s ILE 64 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3f1f s ILE 64 Cb -0.13 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 3f1f s ILE 64 CO -0.02 0.34 0.38 -0.36 0.00 0.00 0.00 174.94 175.28 3f1f s PHE 65 N 1.41 3.48 -0.42 3.97 0.08 0.48 -4.93 117.98 122.06 3f1f s PHE 65 Ca 0.06 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.52 3f1f s PHE 65 Cb -0.15 -1.89 0.13 0.00 -0.57 0.00 0.00 43.02 40.55 3f1f s PHE 65 CO 0.05 0.40 0.22 0.96 -0.10 0.00 0.00 175.22 176.75 3f1f s ILE 66 N -1.80 1.29 0.22 0.64 -4.36 -1.26 -1.67 121.20 114.26 3f1f s ILE 66 Ca 0.39 -2.39 0.29 0.00 -0.26 0.00 0.00 60.65 58.68 3f1f s ILE 66 Cb -0.11 -1.91 0.31 0.00 1.25 0.00 0.00 42.46 41.99 3f1f s ILE 66 CO 0.28 -0.87 1.96 0.03 0.24 0.00 0.00 174.94 176.58 3f1f h ARG 67 N 6.89 0.00 -6.48 0.37 3.08 -1.49 -3.44 114.38 113.32 3f1f h ARG 67 Ca -0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.53 3f1f h ARG 67 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3f1f h ARG 67 CO 0.47 0.12 -0.17 0.96 -1.07 0.00 0.00 179.97 180.27 3f1f s ILE 68 N -3.80 5.07 -0.25 2.04 -4.36 -1.24 -4.98 121.20 113.69 3f1f s ILE 68 Ca -0.00 -0.17 -0.11 0.00 -0.26 0.00 0.00 60.65 60.11 3f1f s ILE 68 Cb 0.11 -3.78 0.09 0.00 1.25 0.00 0.00 42.46 40.12 3f1f s ILE 68 CO 0.58 -0.41 0.57 0.12 0.24 0.00 0.00 174.94 176.04 3f1f s PHE 69 N -2.16 -0.99 -0.27 1.37 5.36 -1.26 -5.10 117.98 114.92 3f1f s PHE 69 Ca 0.42 1.89 -0.29 0.00 -0.96 0.00 0.00 56.93 57.99 3f1f s PHE 69 Cb -0.10 0.54 -0.01 0.00 -0.34 0.00 0.00 43.02 43.10 3f1f s PHE 69 CO 0.33 -0.52 1.47 -1.25 -1.46 0.00 0.00 175.22 173.79 3f1f s PRO 70 N 2.12 3.81 0.00 10.12 0.04 -1.26 -4.66 135.00 145.18 3f1f s PRO 70 Ca -0.07 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3f1f s PRO 70 Cb -0.09 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.48 3f1f s PRO 70 CO -0.17 -1.26 0.07 -0.40 0.04 0.00 0.00 177.00 175.29 3f1f n ASP 71 N 8.18 0.14 -4.68 6.66 5.68 -0.15 -4.61 116.55 127.78 3f1f n ASP 71 Ca 0.17 -0.67 -0.41 0.00 -0.50 0.00 0.00 54.79 53.38 3f1f n ASP 71 Cb 0.46 0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 3f1f n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3f1f s LYS 72 N -0.08 4.35 0.27 0.11 2.20 -0.95 -4.90 119.74 120.74 3f1f s LYS 72 Ca 0.00 1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 56.38 3f1f s LYS 72 Cb 0.00 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 3f1f s LYS 72 CO 0.00 -0.26 1.29 -2.14 -0.36 0.00 0.00 175.35 173.89 3f1f s PRO 73 N 1.88 4.40 -0.45 4.03 0.02 -1.26 -1.30 135.00 142.31 3f1f s PRO 73 Ca 0.40 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 3f1f s PRO 73 Cb -0.17 -3.14 0.12 0.00 0.02 0.00 0.00 34.50 31.33 3f1f s PRO 73 CO 0.15 -0.18 0.28 -0.47 -0.33 0.00 0.00 177.00 176.44 3f1f s TYR 74 N -0.56 3.52 0.53 6.54 5.04 0.12 -4.61 117.35 127.93 3f1f s TYR 74 Ca 0.52 -2.27 -0.16 0.00 -2.44 0.00 0.00 57.07 52.72 3f1f s TYR 74 Cb -0.38 -3.32 -0.07 0.00 0.35 0.00 0.00 41.96 38.54 3f1f s TYR 74 CO 0.45 -0.97 1.00 0.95 -1.34 0.00 0.00 175.55 175.64 3f1f s THR 75 N 1.09 4.37 -0.26 4.34 -4.23 -1.26 0.36 115.64 120.04 3f1f s THR 75 Ca 0.08 1.14 -0.26 0.00 -1.18 0.00 0.00 61.69 61.47 3f1f s THR 75 Cb -0.23 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.10 3f1f s THR 75 CO -0.03 -0.64 1.09 -0.75 -0.54 0.00 0.00 174.62 173.75 3f1f s LYS 76 N -4.05 0.45 -0.14 3.99 2.47 -1.26 -4.72 119.74 116.47 3f1f s LYS 76 Ca 0.60 0.42 -0.07 0.00 -1.56 0.00 0.00 55.97 55.36 3f1f s LYS 76 Cb -0.11 0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 3f1f s LYS 76 CO 0.32 -0.08 0.11 0.21 0.16 0.00 0.00 175.35 176.07 3f1f s LYS 77 N -0.10 3.59 0.00 4.03 2.20 -1.26 -2.89 119.74 125.31 3f1f s LYS 77 Ca 0.03 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3f1f s LYS 77 Cb -0.04 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3f1f s LYS 77 CO -0.06 0.60 0.27 -0.35 -0.36 0.00 0.00 175.35 175.46 3f1f n PRO 78 N 2.52 0.41 -1.20 4.03 -0.04 -1.26 -4.63 135.00 134.83 3f1f n PRO 78 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3f1f n PRO 78 Cb 0.54 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 3f1f n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3f1f n LEU 79 N 0.45 -1.05 0.00 1.53 4.32 -1.26 -5.10 117.00 115.90 3f1f n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3f1f n LEU 79 Cb 0.14 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 3f1f n LEU 79 CO 0.00 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.55 3f1f n GLU 80 N -0.38 1.23 0.00 3.23 -0.58 -1.26 -5.18 120.64 117.71 3f1f n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3f1f n GLU 80 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 3f1f n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f1f n VAL 81 N 0.00 0.00 -0.32 2.62 0.31 -1.26 -5.12 118.33 114.55 3f1f n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3f1f n VAL 81 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3f1f n VAL 81 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3f1f n ARG 82 N -0.74 0.08 -2.52 5.55 5.12 -1.26 -5.09 116.66 117.80 3f1f n ARG 82 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3f1f n ARG 82 Cb 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 32.46 31.26 3f1f n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1f s MET 83 N 0.00 4.44 0.30 5.56 0.23 -1.26 -4.89 119.30 123.69 3f1f s MET 83 Ca 0.00 1.63 0.00 0.00 -1.03 0.00 0.00 55.69 56.29 3f1f s MET 83 Cb 0.00 -3.44 0.00 0.00 -1.53 0.00 0.00 34.83 29.86 3f1f s MET 83 CO 0.00 -0.26 0.00 0.41 -2.03 0.00 0.00 175.02 173.14 3f1f n GLY 84 N 3.17 -2.03 3.87 3.16 0.00 -1.26 -4.88 105.19 107.23 3f1f n GLY 84 Ca 0.09 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 3f1f n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1f s LYS 85 N -2.33 3.67 0.13 1.61 2.20 -1.26 -5.01 119.74 118.76 3f1f s LYS 85 Ca 0.00 0.06 -0.33 0.00 -0.36 0.00 0.00 55.97 55.34 3f1f s LYS 85 Cb 0.00 -3.05 -0.18 0.00 -1.51 0.00 0.00 37.83 33.09 3f1f s LYS 85 CO 0.00 0.61 0.82 0.41 -0.36 0.00 0.00 175.35 176.83 3f1f n GLY 86 N 1.08 -0.94 0.31 5.54 0.00 -1.26 -4.74 105.19 105.17 3f1f n GLY 86 Ca -0.10 0.51 0.15 0.00 0.00 0.00 0.00 46.02 46.59 3f1f n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f1f h LYS 87 N 2.05 0.00 0.00 1.61 3.64 -1.95 -3.41 116.57 118.51 3f1f h LYS 87 Ca -0.39 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3f1f h LYS 87 Cb 1.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 3f1f h LYS 87 CO 0.62 0.00 -0.24 0.41 -2.27 0.00 0.00 179.45 177.97 3f1f n GLY 88 N -1.37 -1.11 2.29 5.01 0.00 -1.14 -4.85 105.19 104.02 3f1f n GLY 88 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3f1f n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f1f n ASN 89 N -3.92 -2.09 -0.06 1.61 4.13 1.11 -4.72 115.26 111.31 3f1f n ASN 89 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 3f1f n ASN 89 Cb 0.30 -0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 38.17 3f1f n ASN 89 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3f1f h VAL 90 N 0.00 1.02 0.00 2.41 2.07 -1.85 0.45 116.25 120.34 3f1f h VAL 90 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3f1f h VAL 90 Cb 0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3f1f h VAL 90 CO 0.00 0.05 -0.23 -0.62 0.02 0.00 0.00 177.57 176.79 3f1f n GLU 91 N -4.96 0.12 0.00 1.57 -0.58 -1.26 -5.00 120.64 110.52 3f1f n GLU 91 Ca -0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3f1f n GLU 91 Cb 0.05 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 3f1f n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f1f n GLY 92 N 1.43 1.29 3.17 0.62 0.00 0.16 -4.71 105.19 107.15 3f1f n GLY 92 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3f1f n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1f s TYR 93 N 0.00 0.45 0.25 1.61 1.51 -1.26 0.15 117.35 120.06 3f1f s TYR 93 Ca 0.00 -0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 55.06 3f1f s TYR 93 Cb 0.00 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.59 3f1f s TYR 93 CO 0.00 -0.51 0.42 0.14 -1.11 0.00 0.00 175.55 174.49 3f1f s VAL 94 N -3.93 0.00 -0.04 0.71 -7.23 -0.42 -1.17 120.40 108.32 3f1f s VAL 94 Ca 0.11 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3f1f s VAL 94 Cb 0.06 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 3f1f s VAL 94 CO -0.07 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.55 3f1f s ALA 95 N -3.88 1.51 -0.76 1.32 0.00 0.68 -0.97 121.76 119.66 3f1f s ALA 95 Ca 0.26 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 3f1f s ALA 95 Cb 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3f1f s ALA 95 CO 0.11 0.29 1.29 0.14 0.00 0.00 0.00 175.76 177.59 3f1f s VAL 96 N -0.03 3.74 -0.35 0.00 -7.23 -1.26 -1.37 120.40 113.90 3f1f s VAL 96 Ca -0.02 0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 3f1f s VAL 96 Cb -0.11 -4.93 0.01 0.00 0.56 0.00 0.00 36.38 31.91 3f1f s VAL 96 CO 0.02 -1.86 0.19 -0.69 -0.31 0.00 0.00 175.10 172.45 3f1f s VAL 97 N 5.68 4.69 0.17 1.32 1.01 -0.64 -5.00 120.40 127.63 3f1f s VAL 97 Ca 0.36 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3f1f s VAL 97 Cb -0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3f1f s VAL 97 CO 0.13 -0.09 0.17 -0.54 0.00 0.00 0.00 175.10 174.78 3f1f s LYS 98 N 1.60 3.02 -0.33 2.72 1.02 -1.26 -0.70 119.74 125.81 3f1f s LYS 98 Ca 0.04 -0.82 -0.40 0.00 0.02 0.00 0.00 55.97 54.80 3f1f s LYS 98 Cb -0.18 -2.71 -0.15 0.00 -0.52 0.00 0.00 37.83 34.26 3f1f s LYS 98 CO 0.07 0.49 1.86 -2.30 -0.92 0.00 0.00 175.35 174.55 3f1f n PRO 99 N -0.46 0.95 0.00 -1.68 -0.02 -1.26 -2.07 135.00 130.46 3f1f n PRO 99 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3f1f n PRO 99 Cb 0.55 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3f1f n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1f n GLY 100 N 4.97 1.51 3.65 -1.23 0.00 0.22 -4.35 105.19 109.96 3f1f n GLY 100 Ca 0.32 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3f1f n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1f n ARG 101 N 0.00 1.62 -3.33 1.61 3.00 -0.88 -3.30 116.66 115.39 3f1f n ARG 101 Ca 0.00 0.58 -0.39 0.00 -0.00 0.00 0.00 57.85 58.04 3f1f n ARG 101 Cb 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 32.46 30.23 3f1f n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3f1f s VAL 102 N -1.20 5.14 -0.21 5.15 1.01 -1.26 -1.66 120.40 127.37 3f1f s VAL 102 Ca 0.61 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.35 3f1f s VAL 102 Cb -0.56 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 31.92 3f1f s VAL 102 CO 0.58 0.17 -0.19 0.23 0.00 0.00 0.00 175.10 175.89 3f1f n MET 103 N 5.08 0.52 -3.82 2.72 0.00 0.49 -4.15 117.12 117.95 3f1f n MET 103 Ca -0.07 0.12 -0.13 0.00 0.00 0.00 0.00 57.70 57.62 3f1f n MET 103 Cb 0.50 -1.41 -0.15 0.00 0.00 0.00 0.00 33.22 32.16 3f1f n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3f1f s PHE 104 N -2.42 0.01 -0.13 2.03 0.40 -1.24 -1.54 117.98 115.09 3f1f s PHE 104 Ca -0.28 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3f1f s PHE 104 Cb 0.07 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.46 3f1f s PHE 104 CO 0.48 -0.05 -0.09 -1.21 0.70 0.00 0.00 175.22 175.05 3f1f s GLU 105 N 0.54 3.43 0.08 0.44 0.41 -0.67 -1.60 118.70 121.32 3f1f s GLU 105 Ca -0.04 -0.61 0.05 0.00 -0.41 0.00 0.00 54.97 53.95 3f1f s GLU 105 Cb -0.06 -2.74 -0.04 0.00 -1.78 0.00 0.00 34.13 29.51 3f1f s GLU 105 CO -0.01 0.27 -0.01 0.14 -0.49 0.00 0.00 175.26 175.16 3f1f s VAL 106 N 0.23 3.96 0.12 2.63 -7.23 -0.70 0.18 120.40 119.60 3f1f s VAL 106 Ca -0.06 -0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 3f1f s VAL 106 Cb -0.15 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.95 3f1f s VAL 106 CO 0.04 0.16 0.33 0.00 -0.31 0.00 0.00 175.10 175.32 3f1f s ALA 107 N -1.26 -0.60 -0.58 1.32 0.00 -0.52 -0.09 121.76 120.02 3f1f s ALA 107 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3f1f s ALA 107 Cb -0.12 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3f1f s ALA 107 CO 0.16 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3f1f n GLY 108 N -0.18 0.13 3.30 0.00 0.00 -1.26 -1.70 105.19 105.47 3f1f n GLY 108 Ca -0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3f1f n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1f s VAL 109 N -2.33 0.04 0.63 1.61 -7.23 -1.26 -4.12 120.40 107.74 3f1f s VAL 109 Ca 0.00 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3f1f s VAL 109 Cb 0.00 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 3f1f s VAL 109 CO 0.00 -0.19 1.03 0.42 -0.31 0.00 0.00 175.10 176.05 3f1f s THR 110 N -4.05 4.57 0.10 5.32 -4.23 -1.26 -4.85 115.64 111.25 3f1f s THR 110 Ca 0.26 0.81 -0.35 0.00 -1.18 0.00 0.00 61.69 61.24 3f1f s THR 110 Cb 0.05 -3.82 -0.14 0.00 1.34 0.00 0.00 72.50 69.92 3f1f s THR 110 CO 0.06 -1.08 1.56 -0.33 -0.54 0.00 0.00 174.62 174.29 3f1f h GLU 111 N -0.34 -0.75 -0.03 3.99 5.08 -2.02 -0.04 114.58 120.46 3f1f h GLU 111 Ca -0.44 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3f1f h GLU 111 Cb 1.20 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 3f1f h GLU 111 CO 0.62 -0.50 0.65 1.05 -1.00 0.00 0.00 179.01 179.83 3f1f h GLU 112 N -0.78 0.00 0.05 2.33 9.09 -1.98 0.69 114.58 123.97 3f1f h GLU 112 Ca -0.01 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.12 3f1f h GLU 112 Cb 0.77 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.85 3f1f h GLU 112 CO -0.26 0.00 -1.51 1.96 0.05 0.00 0.00 179.01 179.25 3f1f h GLN 113 N 0.00 0.11 0.01 1.06 4.20 -1.44 -3.18 115.11 115.87 3f1f h GLN 113 Ca 0.02 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3f1f h GLN 113 Cb 1.32 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.17 3f1f h GLN 113 CO -0.00 1.09 -0.01 0.00 -0.67 0.00 0.00 178.83 179.24 3f1f h ALA 114 N -0.28 -0.01 -0.07 3.87 0.00 0.11 0.20 119.26 123.09 3f1f h ALA 114 Ca -0.37 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3f1f h ALA 114 Cb 1.58 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3f1f h ALA 114 CO -0.09 -0.45 -0.32 0.52 0.00 0.00 0.00 179.25 178.91 3f1f h MET 115 N -0.13 -0.42 0.92 0.00 2.86 -0.07 0.36 114.93 118.46 3f1f h MET 115 Ca -0.00 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3f1f h MET 115 Cb 0.13 0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.89 3f1f h MET 115 CO 0.00 -0.28 -0.44 1.49 1.06 0.00 0.00 176.91 178.74 3f1f h GLU 116 N -0.43 -1.19 0.02 1.72 4.57 -1.52 -0.56 114.58 117.19 3f1f h GLU 116 Ca 0.08 0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3f1f h GLU 116 Cb 0.55 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 3f1f h GLU 116 CO -0.31 -0.79 -0.12 0.00 -1.18 0.00 0.00 179.01 176.61 3f1f h ALA 117 N -1.16 -0.16 0.00 2.92 0.00 -0.86 0.20 119.26 120.20 3f1f h ALA 117 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3f1f h ALA 117 Cb 0.95 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f1f h ALA 117 CO 0.21 -0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 3f1f h LEU 118 N -0.22 0.00 0.01 0.00 3.38 -0.30 -0.91 115.31 117.27 3f1f h LEU 118 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3f1f h LEU 118 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3f1f h LEU 118 CO -0.10 0.01 -0.14 -0.09 0.09 0.00 0.00 178.44 178.20 3f1f h ARG 119 N 0.00 0.07 -0.99 1.13 2.43 0.43 -3.04 114.38 114.41 3f1f h ARG 119 Ca -0.00 -0.10 0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3f1f h ARG 119 Cb 0.02 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3f1f h ARG 119 CO 0.00 0.94 0.62 0.82 -1.51 0.00 0.00 179.97 180.85 3f1f h ILE 120 N -0.75 0.89 -0.88 1.20 1.08 0.14 0.23 117.51 119.42 3f1f h ILE 120 Ca -0.02 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3f1f h ILE 120 Cb 1.00 -0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3f1f h ILE 120 CO 0.03 0.17 0.50 0.00 -0.69 0.00 0.00 178.15 178.16 3f1f h ALA 121 N 1.56 1.24 -0.01 1.87 0.00 -1.27 -1.42 119.26 121.23 3f1f h ALA 121 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3f1f h ALA 121 Cb 0.56 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f1f h ALA 121 CO -0.27 0.63 0.04 0.78 0.00 0.00 0.00 179.25 180.44 3f1f h GLY 122 N 1.23 0.00 2.00 0.00 0.00 -0.41 0.71 103.07 106.60 3f1f h GLY 122 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3f1f h GLY 122 CO -0.05 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.94 3f1f h HIS 123 N 0.00 0.00 0.00 5.60 -0.00 -1.04 -3.15 115.15 116.56 3f1f h HIS 123 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.28 3f1f h HIS 123 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 3f1f h HIS 123 CO 0.00 0.00 -1.27 1.63 -0.00 0.00 0.00 177.93 178.29 3f1f n LYS 124 N -2.75 0.62 -2.93 2.45 4.76 0.23 -4.90 118.16 115.63 3f1f n LYS 124 Ca 0.04 0.17 -0.40 0.00 -2.87 0.00 0.00 58.31 55.25 3f1f n LYS 124 Cb 0.46 -1.81 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 3f1f n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f1f s LEU 125 N -5.58 4.40 0.00 -0.35 1.43 -1.14 -4.93 118.68 112.53 3f1f s LEU 125 Ca -0.02 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3f1f s LEU 125 Cb 0.09 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 43.03 3f1f s LEU 125 CO 0.81 -0.07 0.10 -0.81 0.23 0.00 0.00 176.35 176.60 3f1f n PRO 126 N 3.24 0.12 -4.18 1.29 -0.04 -1.26 -4.77 135.00 129.41 3f1f n PRO 126 Ca -0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 3f1f n PRO 126 Cb 0.51 -1.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 3f1f n PRO 126 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3f1f s ILE 127 N -1.65 0.89 0.23 0.52 1.01 -1.26 -5.09 121.20 115.85 3f1f s ILE 127 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 3f1f s ILE 127 Cb 0.00 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 3f1f s ILE 127 CO 0.00 -0.66 1.15 -0.54 0.00 0.00 0.00 174.94 174.89 3f1f s LYS 128 N -3.12 4.56 0.24 2.79 1.02 -1.26 -4.97 119.74 118.99 3f1f s LYS 128 Ca 0.08 1.84 0.05 0.00 0.02 0.00 0.00 55.97 57.96 3f1f s LYS 128 Cb -0.00 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 3f1f s LYS 128 CO -0.01 0.05 0.17 0.25 -0.92 0.00 0.00 175.35 174.89 3f1f n THR 129 N 1.84 0.00 -3.61 2.17 -2.24 -1.26 -1.15 114.28 110.03 3f1f n THR 129 Ca 0.02 -1.65 -0.15 0.00 -2.27 0.00 0.00 64.05 59.99 3f1f n THR 129 Cb 0.45 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 3f1f n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3f1f s LYS 130 N -2.96 0.88 -0.21 -0.78 2.36 -0.83 -4.83 119.74 113.37 3f1f s LYS 130 Ca 0.23 0.74 -0.07 0.00 -2.55 0.00 0.00 55.97 54.33 3f1f s LYS 130 Cb 0.01 0.42 -0.03 0.00 -1.05 0.00 0.00 37.83 37.18 3f1f s LYS 130 CO 0.17 -0.16 0.05 0.42 1.55 0.00 0.00 175.35 177.37 3f1f s ILE 131 N -0.11 4.36 -0.02 5.43 1.01 -1.26 -0.46 121.20 130.16 3f1f s ILE 131 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3f1f s ILE 131 Cb -0.03 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3f1f s ILE 131 CO 0.04 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.65 3f1f s VAL 132 N 0.99 3.88 0.00 2.92 1.01 -0.67 -4.95 120.40 123.59 3f1f s VAL 132 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3f1f s VAL 132 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3f1f s VAL 132 CO 0.03 0.44 0.27 0.54 0.00 0.00 0.00 175.10 176.37 3f1f n ARG 133 N 1.65 0.00 0.00 2.72 5.12 -1.26 -2.21 116.66 122.68 3f1f n ARG 133 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3f1f n ARG 133 Cb 0.53 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 31.09 3f1f n ARG 133 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3f1f n ARG 134 N -0.42 0.00 0.00 5.56 3.00 -1.26 -3.90 116.66 119.64 3f1f n ARG 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3f1f n ARG 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3f1f n ARG 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3f1f n ASP 135 N 0.00 0.00 0.00 6.15 9.92 -1.26 -4.32 116.55 127.03 3f1f n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3f1f n ASP 135 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3f1f n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f1f n ALA 136 N 1.42 0.00 -1.42 2.24 0.00 -1.26 -5.11 120.51 116.37 3f1f n ALA 136 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.85 3f1f n ALA 136 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3f1f n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1f n TYR 137 N 0.00 1.44 0.00 0.00 4.02 -1.26 -4.80 117.16 116.56 3f1f n TYR 137 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 3f1f n TYR 137 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 3f1f n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3f1f n ASP 138 N 7.12 0.00 0.00 7.72 9.92 -1.26 -4.91 116.55 135.13 3f1f n ASP 138 Ca 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 3f1f n ASP 138 Cb 0.02 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3f1f n ASP 138 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54