#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n PHE 2 N 0.00 1.49 -3.49 2.03 3.01 -1.26 -4.48 117.46 114.76 3f1h n PHE 2 Ca 0.00 0.66 -0.08 0.00 1.01 0.00 0.00 57.45 59.05 3f1h n PHE 2 Cb 0.00 -2.29 -0.08 0.00 -0.01 0.00 0.00 39.48 37.10 3f1h n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3f1h s ALA 3 N -0.96 -1.22 -0.52 4.37 0.00 -1.15 -1.51 121.76 120.77 3f1h s ALA 3 Ca 0.59 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.60 3f1h s ALA 3 Cb -0.68 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 20.93 3f1h s ALA 3 CO 0.59 -1.02 0.88 0.42 0.00 0.00 0.00 175.76 176.64 3f1h s ILE 4 N 2.61 4.49 -0.05 0.00 -1.09 -0.31 0.06 121.20 126.90 3f1h s ILE 4 Ca 0.06 0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.72 3f1h s ILE 4 Cb -0.14 -4.47 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 3f1h s ILE 4 CO -0.15 -0.99 0.09 0.54 -1.23 0.00 0.00 174.94 173.20 3f1h s VAL 5 N 3.69 4.94 -0.08 2.92 0.11 0.91 0.17 120.40 133.08 3f1h s VAL 5 Ca 0.29 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 3f1h s VAL 5 Cb -0.13 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3f1h s VAL 5 CO 0.20 0.47 0.09 -1.59 -3.33 0.00 0.00 175.10 170.94 3f1h s LYS 6 N -1.39 3.22 -0.20 1.54 -2.85 -1.22 -1.02 119.74 117.82 3f1h s LYS 6 Ca 0.19 -0.31 -0.31 0.00 -1.00 0.00 0.00 55.97 54.54 3f1h s LYS 6 Cb -0.12 -2.99 0.15 0.00 -2.06 0.00 0.00 37.83 32.81 3f1h s LYS 6 CO 0.09 0.72 1.16 -0.08 0.10 0.00 0.00 175.35 177.34 3f1h s THR 7 N -1.04 0.00 -1.25 3.79 -1.32 -0.70 -4.75 115.64 110.37 3f1h s THR 7 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3f1h s THR 7 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 3f1h s THR 7 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 3f1h n GLY 8 N 0.37 0.88 1.88 6.08 0.00 -1.26 -0.38 105.19 112.76 3f1h n GLY 8 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3f1h n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 9 N -0.32 0.42 3.19 -0.02 0.00 -1.26 -4.81 105.19 102.38 3f1h n GLY 9 Ca -0.13 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3f1h n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 10 N -1.88 0.35 0.04 1.61 1.02 0.49 -5.15 119.74 116.22 3f1h s LYS 10 Ca 0.00 0.45 -0.20 0.00 0.02 0.00 0.00 55.97 56.23 3f1h s LYS 10 Cb 0.00 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 3f1h s LYS 10 CO 0.00 -0.05 0.59 -0.65 -0.92 0.00 0.00 175.35 174.32 3f1h s GLN 11 N 0.26 4.28 0.00 1.68 -0.21 -1.26 -1.72 119.66 122.69 3f1h s GLN 11 Ca -0.01 0.76 -0.07 0.00 0.02 0.00 0.00 55.36 56.06 3f1h s GLN 11 Cb -0.03 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.70 3f1h s GLN 11 CO -0.00 0.51 0.14 0.71 -2.12 0.00 0.00 175.29 174.52 3f1h s TYR 12 N -0.69 0.04 0.88 0.91 2.02 -0.19 -5.00 117.35 115.31 3f1h s TYR 12 Ca 0.30 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.73 3f1h s TYR 12 Cb -0.19 -0.05 0.14 0.00 -0.40 0.00 0.00 41.96 41.46 3f1h s TYR 12 CO 0.19 -0.29 1.24 -0.98 -1.57 0.00 0.00 175.55 174.14 3f1h s ARG 13 N -1.38 1.30 -0.15 -0.62 1.04 -1.26 -0.06 118.95 117.82 3f1h s ARG 13 Ca -0.15 -0.21 -0.10 0.00 -1.04 0.00 0.00 55.73 54.23 3f1h s ARG 13 Cb -0.08 -1.92 0.05 0.00 -2.04 0.00 0.00 34.95 30.96 3f1h s ARG 13 CO 0.02 -1.99 0.37 0.08 -0.04 0.00 0.00 175.30 173.73 3f1h s VAL 14 N -3.70 -0.02 0.27 4.99 1.01 0.11 -4.78 120.40 118.27 3f1h s VAL 14 Ca 0.68 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 3f1h s VAL 14 Cb -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3f1h s VAL 14 CO 0.51 0.03 0.51 -1.61 0.00 0.00 0.00 175.10 174.54 3f1h s GLU 15 N 1.01 3.60 -0.45 2.72 0.41 -1.26 -2.91 118.70 121.81 3f1h s GLU 15 Ca -0.07 -0.10 -0.28 0.00 -0.41 0.00 0.00 54.97 54.11 3f1h s GLU 15 Cb -0.07 -2.70 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 3f1h s GLU 15 CO -0.08 0.26 2.37 -0.35 -0.49 0.00 0.00 175.26 176.97 3f1h n PRO 16 N -0.88 1.17 -1.46 0.39 -0.04 -1.26 -4.23 135.00 128.69 3f1h n PRO 16 Ca -0.03 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3f1h n PRO 16 Cb 0.54 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 3f1h n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1h n GLY 17 N 6.08 -4.17 0.00 0.55 0.00 -1.25 -4.97 105.19 101.43 3f1h n GLY 17 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3f1h n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3f1h n LEU 18 N 0.78 0.00 -4.80 0.99 -0.00 -1.25 -4.90 117.00 107.82 3f1h n LEU 18 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 3f1h n LEU 18 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3f1h n LEU 18 CO 0.00 0.00 0.42 -0.54 -0.00 0.00 0.00 177.39 177.27 3f1h s LYS 19 N -2.00 4.35 -0.13 1.47 1.02 -1.26 -1.35 119.74 121.84 3f1h s LYS 19 Ca 0.00 0.95 -0.09 0.00 0.02 0.00 0.00 55.97 56.85 3f1h s LYS 19 Cb 0.00 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.28 3f1h s LYS 19 CO 0.00 0.50 0.33 -1.17 -0.92 0.00 0.00 175.35 174.09 3f1h s LEU 20 N -1.55 0.33 -0.09 3.17 2.96 0.38 -4.99 118.68 118.89 3f1h s LEU 20 Ca 0.38 0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 54.82 3f1h s LEU 20 Cb -0.19 1.08 -0.05 0.00 0.50 0.00 0.00 46.19 47.53 3f1h s LEU 20 CO 0.23 -0.16 0.45 -0.13 -1.32 0.00 0.00 176.35 175.41 3f1h s ARG 21 N 0.98 4.24 0.06 1.98 0.52 -1.26 -0.11 118.95 125.36 3f1h s ARG 21 Ca -0.07 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 3f1h s ARG 21 Cb -0.07 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 3f1h s ARG 21 CO -0.07 0.30 -0.04 0.08 0.02 0.00 0.00 175.30 175.58 3f1h s VAL 22 N 0.18 0.36 0.12 3.52 1.01 -0.41 -4.98 120.40 120.21 3f1h s VAL 22 Ca 0.25 -1.64 -0.35 0.00 0.00 0.00 0.00 61.98 60.24 3f1h s VAL 22 Cb -0.15 -1.28 -0.16 0.00 0.00 0.00 0.00 36.38 34.78 3f1h s VAL 22 CO 0.11 -0.83 1.30 1.21 0.00 0.00 0.00 175.10 176.89 3f1h n GLU 23 N 0.43 1.24 -1.35 2.72 4.07 -1.26 -1.59 120.64 124.90 3f1h n GLU 23 Ca -0.16 0.45 -0.45 0.00 -0.06 0.00 0.00 57.16 56.94 3f1h n GLU 23 Cb 0.59 -2.05 -0.02 0.00 -0.06 0.00 0.00 31.44 29.91 3f1h n GLU 23 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3f1h n LYS 24 N 2.31 0.00 -4.36 5.31 4.81 -1.25 -4.60 118.16 120.38 3f1h n LYS 24 Ca 0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 3f1h n LYS 24 Cb 0.22 -1.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.13 3f1h n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3f1h s LEU 25 N 3.63 2.08 -0.68 3.14 1.43 -1.26 -4.92 118.68 122.10 3f1h s LEU 25 Ca 0.62 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 3f1h s LEU 25 Cb -0.79 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 44.95 3f1h s LEU 25 CO 0.59 0.06 1.33 -0.62 0.23 0.00 0.00 176.35 177.95 3f1h s ASP 26 N -0.61 6.12 0.05 2.29 -1.08 -1.26 -4.93 116.67 117.25 3f1h s ASP 26 Ca 0.02 -0.21 -0.27 0.00 -0.52 0.00 0.00 52.55 51.56 3f1h s ASP 26 Cb -0.05 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 38.94 3f1h s ASP 26 CO 0.00 -1.82 0.88 0.00 0.52 0.00 0.00 175.17 174.75 3f1h s ALA 27 N 5.96 -1.76 1.08 3.66 0.00 -1.26 -5.14 121.76 124.30 3f1h s ALA 27 Ca 0.41 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3f1h s ALA 27 Cb -0.09 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.62 3f1h s ALA 27 CO 0.18 -0.78 0.03 0.39 0.00 0.00 0.00 175.76 175.58 3f1h n GLU 28 N -0.31 -1.26 0.24 0.00 1.02 -1.26 -4.87 120.64 114.20 3f1h n GLU 28 Ca -0.09 -0.34 0.09 0.00 -0.02 0.00 0.00 57.16 56.79 3f1h n GLU 28 Cb 0.62 -1.70 0.60 0.00 -0.02 0.00 0.00 31.44 30.93 3f1h n GLU 28 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3f1h h PRO 29 N -1.92 0.00 0.00 3.49 0.13 -2.00 -3.34 132.00 128.36 3f1h h PRO 29 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3f1h h PRO 29 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3f1h h PRO 29 CO 0.37 0.17 -0.31 0.41 -0.23 0.00 0.00 178.00 178.41 3f1h n GLY 30 N -0.79 -0.34 0.00 1.56 0.00 -1.25 -3.63 105.19 100.75 3f1h n GLY 30 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3f1h n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h n ALA 31 N 0.00 0.00 -3.21 4.61 0.00 -1.26 -4.63 120.51 116.02 3f1h n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3f1h n ALA 31 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 3f1h n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3f1h s THR 32 N -0.02 0.03 0.03 0.00 2.01 -1.26 -1.41 115.64 115.02 3f1h s THR 32 Ca 0.00 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3f1h s THR 32 Cb 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 3f1h s THR 32 CO 0.00 0.05 -0.07 0.68 -0.69 0.00 0.00 174.62 174.59 3f1h s VAL 33 N 0.41 0.50 -0.01 3.82 -7.23 0.10 -4.96 120.40 113.02 3f1h s VAL 33 Ca -0.03 -0.77 -0.14 0.00 -1.81 0.00 0.00 61.98 59.23 3f1h s VAL 33 Cb -0.05 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.31 3f1h s VAL 33 CO -0.01 -0.20 0.39 -0.70 -0.31 0.00 0.00 175.10 174.27 3f1h s GLU 34 N -1.04 3.87 -1.02 4.82 2.12 -1.26 -1.68 118.70 124.51 3f1h s GLU 34 Ca -0.05 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.62 3f1h s GLU 34 Cb -0.07 -3.21 0.31 0.00 0.26 0.00 0.00 34.13 31.42 3f1h s GLU 34 CO 0.00 0.70 1.54 1.28 -0.54 0.00 0.00 175.26 178.24 3f1h n LEU 35 N 1.81 6.52 0.05 2.70 7.99 0.66 -4.83 117.00 131.91 3f1h n LEU 35 Ca -0.14 -5.30 0.21 0.00 -0.01 0.00 0.00 56.01 50.76 3f1h n LEU 35 Cb 0.53 -1.18 0.63 0.00 -0.11 0.00 0.00 43.42 43.28 3f1h n LEU 35 CO 0.37 1.85 1.19 1.55 -1.51 0.00 0.00 177.39 180.84 3f1h h PRO 36 N 4.89 0.00 -5.69 3.23 0.13 -1.84 -3.30 132.00 129.42 3f1h h PRO 36 Ca 0.31 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.93 3f1h h PRO 36 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 3f1h h PRO 36 CO 1.24 0.00 1.60 1.33 -0.23 0.00 0.00 178.00 181.94 3f1h n VAL 37 N -3.39 0.03 -3.63 1.56 0.24 -1.26 -4.55 118.33 107.33 3f1h n VAL 37 Ca 0.10 -0.66 -0.14 0.00 -2.04 0.00 0.00 64.34 61.59 3f1h n VAL 37 Cb 0.87 -2.60 -0.07 0.00 -1.47 0.00 0.00 33.84 30.56 3f1h n VAL 37 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3f1h s LEU 38 N 10.94 -0.55 -0.04 1.34 0.20 -1.24 -3.40 118.68 125.92 3f1h s LEU 38 Ca 1.01 1.24 0.02 0.00 0.69 0.00 0.00 54.13 57.09 3f1h s LEU 38 Cb -0.29 2.32 0.01 0.00 -0.43 0.00 0.00 46.19 47.79 3f1h s LEU 38 CO 0.30 -0.29 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.22 3f1h s LEU 39 N 0.11 1.64 0.00 -0.68 2.01 0.45 -3.02 118.68 119.19 3f1h s LEU 39 Ca -0.02 -0.22 0.00 0.00 0.01 0.00 0.00 54.13 53.90 3f1h s LEU 39 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 46.19 45.52 3f1h s LEU 39 CO 0.02 0.03 0.00 0.18 1.01 0.00 0.00 176.35 177.60 3f1h n LEU 40 N 3.62 0.00 -3.70 1.79 4.77 -1.22 -1.17 117.00 121.10 3f1h n LEU 40 Ca -0.21 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.76 3f1h n LEU 40 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3f1h n LEU 40 CO 0.25 0.00 0.89 -0.83 -1.33 0.00 0.00 177.39 176.37 3f1h s GLY 41 N -1.04 -0.30 0.00 -0.72 0.00 -1.24 -4.69 107.32 99.33 3f1h s GLY 41 Ca 0.00 0.37 0.26 0.00 0.00 0.00 0.00 44.72 45.34 3f1h s GLY 41 CO 0.00 0.29 1.85 0.61 0.00 0.00 0.00 173.10 175.84 3f1h n GLY 42 N -0.50 -1.29 1.54 0.20 0.00 -0.57 -3.09 105.19 101.48 3f1h n GLY 42 Ca -0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3f1h n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1h n GLU 43 N -1.41 2.17 -2.29 1.61 4.71 -1.26 -4.87 120.64 119.29 3f1h n GLU 43 Ca 0.09 -3.11 -0.04 0.00 -0.01 0.00 0.00 57.16 54.09 3f1h n GLU 43 Cb 0.26 -1.96 -0.03 0.00 -1.01 0.00 0.00 31.44 28.70 3f1h n GLU 43 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3f1h n LYS 44 N -1.03 -3.62 -3.10 3.49 5.02 -1.18 -5.03 118.16 112.72 3f1h n LYS 44 Ca 0.41 2.82 -0.18 0.00 -2.02 0.00 0.00 58.31 59.35 3f1h n LYS 44 Cb 1.25 -4.07 -0.02 0.00 -0.02 0.00 0.00 35.03 32.18 3f1h n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3f1h n THR 45 N 1.32 -0.25 -0.96 -0.18 -1.04 -1.26 -4.87 114.28 107.04 3f1h n THR 45 Ca -0.28 -3.86 -0.38 0.00 -2.04 0.00 0.00 64.05 57.49 3f1h n THR 45 Cb 0.44 -0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 68.60 3f1h n THR 45 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3f1h n VAL 46 N 0.61 0.02 -0.28 12.58 0.24 -1.26 -3.38 118.33 126.86 3f1h n VAL 46 Ca 0.21 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.39 3f1h n VAL 46 Cb 0.64 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 33.06 3f1h n VAL 46 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3f1h n VAL 47 N 0.95 2.20 0.00 3.34 0.31 -1.26 -4.86 118.33 119.01 3f1h n VAL 47 Ca 0.13 -1.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 3f1h n VAL 47 Cb 0.05 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3f1h n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f1h n GLY 48 N 0.15 0.00 3.63 2.92 0.00 -1.26 -3.50 105.19 107.12 3f1h n GLY 48 Ca 0.24 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.79 3f1h n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f1h n THR 49 N 0.00 0.72 0.00 2.61 -2.24 -1.26 -4.71 114.28 109.40 3f1h n THR 49 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3f1h n THR 49 Cb 0.00 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3f1h n THR 49 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3f1h n PRO 50 N 2.13 0.00 -3.71 -0.78 -0.02 -1.23 -4.00 135.00 127.39 3f1h n PRO 50 Ca 0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 3f1h n PRO 50 Cb 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.71 3f1h n PRO 50 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3f1h s VAL 51 N -4.37 5.20 0.02 -1.45 1.01 -1.25 -4.78 120.40 114.78 3f1h s VAL 51 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3f1h s VAL 51 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3f1h s VAL 51 CO 0.00 0.07 1.89 0.54 0.00 0.00 0.00 175.10 177.60 3f1h s VAL 52 N -1.61 3.13 -1.26 2.92 0.11 -1.17 -4.78 120.40 117.75 3f1h s VAL 52 Ca 0.39 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 3f1h s VAL 52 Cb -0.12 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 3f1h s VAL 52 CO 0.25 -0.02 0.87 -0.62 -3.33 0.00 0.00 175.10 172.25 3f1h n GLU 53 N 7.36 0.00 -3.15 1.54 1.02 -1.26 -4.10 120.64 122.05 3f1h n GLU 53 Ca 0.19 0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.74 3f1h n GLU 53 Cb 0.41 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3f1h n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3f1h s GLY 54 N -2.74 -1.03 0.00 0.62 0.00 -1.26 -5.16 107.32 97.76 3f1h s GLY 54 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 44.72 46.38 3f1h s GLY 54 CO 0.00 3.70 0.00 0.00 0.00 0.00 0.00 173.10 176.80 3f1h n ALA 55 N 5.37 0.00 -3.51 3.20 0.00 -1.26 -5.03 120.51 119.28 3f1h n ALA 55 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 3f1h n ALA 55 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3f1h n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f1h s SER 56 N 0.00 -0.43 -0.05 0.00 1.04 -1.21 -4.70 113.70 108.35 3f1h s SER 56 Ca 0.00 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3f1h s SER 56 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3f1h s SER 56 CO 0.00 -0.60 -0.08 0.54 0.98 0.00 0.00 173.24 174.09 3f1h s VAL 57 N -2.47 0.77 -0.11 5.02 0.11 -1.25 -3.82 120.40 118.66 3f1h s VAL 57 Ca 0.01 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 3f1h s VAL 57 Cb -0.01 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3f1h s VAL 57 CO -0.05 0.27 0.06 -0.69 -3.33 0.00 0.00 175.10 171.37 3f1h s VAL 58 N 0.77 4.81 0.00 2.04 1.01 0.20 -0.25 120.40 128.98 3f1h s VAL 58 Ca -0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3f1h s VAL 58 Cb -0.15 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3f1h s VAL 58 CO 0.02 0.59 0.25 0.00 0.00 0.00 0.00 175.10 175.96 3f1h s ALA 59 N -0.78 -0.60 -0.18 5.51 0.00 -0.68 -1.52 121.76 123.52 3f1h s ALA 59 Ca 0.13 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 3f1h s ALA 59 Cb -0.12 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 3f1h s ALA 59 CO 0.03 -0.27 0.15 -2.00 0.00 0.00 0.00 175.76 173.67 3f1h s GLU 60 N -1.57 4.09 -0.93 0.00 2.12 0.14 -0.73 118.70 121.82 3f1h s GLU 60 Ca -0.12 -0.16 -0.24 0.00 0.36 0.00 0.00 54.97 54.80 3f1h s GLU 60 Cb -0.05 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.96 3f1h s GLU 60 CO 0.02 0.36 1.66 0.14 -0.54 0.00 0.00 175.26 176.90 3f1h s VAL 61 N 0.16 3.69 -0.92 3.70 -7.23 -0.50 -0.17 120.40 119.14 3f1h s VAL 61 Ca 0.10 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 3f1h s VAL 61 Cb -0.11 -4.58 0.06 0.00 0.56 0.00 0.00 36.38 32.31 3f1h s VAL 61 CO -0.00 -1.49 1.20 -0.11 -0.31 0.00 0.00 175.10 174.39 3f1h n LEU 62 N 11.14 0.07 0.00 1.32 7.94 0.24 -3.78 117.00 133.92 3f1h n LEU 62 Ca 0.33 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 3f1h n LEU 62 Cb 0.49 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3f1h n LEU 62 CO 0.64 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 3f1h n GLY 63 N -1.03 4.30 3.09 -3.96 0.00 -1.24 -4.93 105.19 101.43 3f1h n GLY 63 Ca 0.01 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 3f1h n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f1h n HIS 64 N -2.00 -3.25 0.00 1.61 8.25 -1.26 0.01 115.22 118.58 3f1h n HIS 64 Ca 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 3f1h n HIS 64 Cb 0.00 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.47 3f1h n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1h n GLY 65 N -1.31 1.57 2.94 -1.41 0.00 -0.83 -4.80 105.19 101.34 3f1h n GLY 65 Ca 0.13 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 3f1h n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1h n ARG 66 N -0.24 -0.06 -4.17 1.61 1.85 -1.26 -0.87 116.66 113.53 3f1h n ARG 66 Ca 0.00 -2.00 -0.15 0.00 -1.00 0.00 0.00 57.85 54.69 3f1h n ARG 66 Cb 0.00 -0.56 -0.11 0.00 -1.05 0.00 0.00 32.46 30.73 3f1h n ARG 66 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3f1h s GLY 67 N -4.53 0.83 0.15 2.89 0.00 -1.16 -4.86 107.32 100.64 3f1h s GLY 67 Ca 0.51 -1.11 -0.33 0.00 0.00 0.00 0.00 44.72 43.79 3f1h s GLY 67 CO 0.34 -1.17 1.10 0.28 0.00 0.00 0.00 173.10 173.65 3f1h n LYS 68 N 0.81 0.91 -2.13 2.90 5.02 -1.26 -4.24 118.16 120.18 3f1h n LYS 68 Ca -0.18 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.03 3f1h n LYS 68 Cb 0.56 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3f1h n LYS 68 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3f1h s LYS 69 N -0.37 4.35 0.04 1.97 2.20 -1.26 -4.72 119.74 121.94 3f1h s LYS 69 Ca 0.75 2.17 0.04 0.00 -0.36 0.00 0.00 55.97 58.57 3f1h s LYS 69 Cb -0.91 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3f1h s LYS 69 CO 0.53 -0.28 -0.06 0.42 -0.36 0.00 0.00 175.35 175.60 3f1h s ILE 70 N -0.27 3.69 -0.61 5.43 1.01 -0.57 -4.94 121.20 124.95 3f1h s ILE 70 Ca 0.55 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 3f1h s ILE 70 Cb -0.39 -2.66 0.15 0.00 0.01 0.00 0.00 42.46 39.57 3f1h s ILE 70 CO 0.44 0.28 0.54 -0.76 0.00 0.00 0.00 174.94 175.44 3f1h s LEU 71 N -1.76 6.19 -0.12 2.97 1.02 -1.26 -1.74 118.68 123.98 3f1h s LEU 71 Ca 0.20 -2.12 -0.29 0.00 0.02 0.00 0.00 54.13 51.93 3f1h s LEU 71 Cb -0.11 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 3f1h s LEU 71 CO 0.11 -0.72 1.53 0.68 0.02 0.00 0.00 176.35 177.97 3f1h s VAL 72 N 1.06 3.82 -0.29 -1.59 -7.23 -0.69 -4.94 120.40 110.54 3f1h s VAL 72 Ca 0.08 0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 61.19 3f1h s VAL 72 Cb -0.23 -3.68 0.10 0.00 0.56 0.00 0.00 36.38 33.13 3f1h s VAL 72 CO -0.01 -0.14 0.12 -0.55 -0.31 0.00 0.00 175.10 174.21 3f1h s SER 73 N 3.12 3.55 0.23 4.85 0.15 -1.26 -1.23 113.70 123.10 3f1h s SER 73 Ca 0.67 -1.30 -0.18 0.00 0.70 0.00 0.00 55.95 55.84 3f1h s SER 73 Cb -0.28 -0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 63.52 3f1h s SER 73 CO 0.25 -0.43 0.70 -0.54 1.20 0.00 0.00 173.24 174.42 3f1h s LYS 74 N 2.02 4.16 -0.22 5.44 1.02 -0.49 -4.94 119.74 126.73 3f1h s LYS 74 Ca 0.09 0.77 -0.04 0.00 0.02 0.00 0.00 55.97 56.81 3f1h s LYS 74 Cb -0.16 -2.80 0.11 0.00 -0.52 0.00 0.00 37.83 34.46 3f1h s LYS 74 CO -0.33 0.36 0.32 0.12 -0.92 0.00 0.00 175.35 174.90 3f1h s PHE 75 N -1.61 -0.62 -0.24 3.18 2.19 -1.26 -1.79 117.98 117.83 3f1h s PHE 75 Ca 0.44 0.71 -0.09 0.00 0.33 0.00 0.00 56.93 58.33 3f1h s PHE 75 Cb -0.15 -0.08 -0.04 0.00 -1.31 0.00 0.00 43.02 41.44 3f1h s PHE 75 CO 0.20 -0.64 0.11 0.15 1.83 0.00 0.00 175.22 176.87 3f1h s LYS 76 N 2.47 3.85 1.13 10.12 1.02 -0.48 -5.04 119.74 132.82 3f1h s LYS 76 Ca 0.09 -0.38 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 3f1h s LYS 76 Cb -0.15 -3.41 0.25 0.00 -0.52 0.00 0.00 37.83 34.00 3f1h s LYS 76 CO -0.14 -0.06 1.08 0.00 -0.92 0.00 0.00 175.35 175.31 3f1h s ALA 77 N 1.31 0.45 0.00 5.17 0.00 -1.26 -3.47 121.76 123.96 3f1h s ALA 77 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3f1h s ALA 77 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3f1h s ALA 77 CO 0.05 -3.41 0.00 0.36 0.00 0.00 0.00 175.76 172.76 3f1h n LYS 78 N -4.62 -1.85 -1.32 0.00 2.85 -1.26 -4.55 118.16 107.41 3f1h n LYS 78 Ca 0.08 0.16 0.03 0.00 -1.05 0.00 0.00 58.31 57.52 3f1h n LYS 78 Cb 0.58 -3.27 0.01 0.00 -0.65 0.00 0.00 35.03 31.70 3f1h n LYS 78 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3f1h n VAL 79 N -0.63 0.00 -3.29 0.58 0.31 -1.25 -5.01 118.33 109.04 3f1h n VAL 79 Ca 0.00 -0.78 -0.12 0.00 -0.01 0.00 0.00 64.34 63.43 3f1h n VAL 79 Cb 0.16 0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 33.95 3f1h n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1h n GLN 80 N 0.39 -0.93 -3.84 5.55 -0.00 -1.26 -4.85 117.38 112.44 3f1h n GLN 80 Ca 0.03 -0.06 -0.35 0.00 -0.00 0.00 0.00 57.00 56.62 3f1h n GLN 80 Cb 1.05 -0.97 -0.13 0.00 -0.00 0.00 0.00 30.24 30.19 3f1h n GLN 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 3f1h s TYR 81 N -3.71 3.50 -0.02 2.61 6.14 -1.23 -5.06 117.35 119.59 3f1h s TYR 81 Ca 0.04 -2.29 0.05 0.00 0.64 0.00 0.00 57.07 55.51 3f1h s TYR 81 Cb -0.02 -2.84 -0.01 0.00 0.42 0.00 0.00 41.96 39.51 3f1h s TYR 81 CO 0.34 -0.91 -0.17 1.03 0.64 0.00 0.00 175.55 176.48 3f1h s ARG 82 N 1.16 1.44 -0.06 4.97 3.00 -1.26 -1.38 118.95 126.82 3f1h s ARG 82 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 55.73 55.15 3f1h s ARG 82 Cb -0.21 -1.36 0.03 0.00 0.00 0.00 0.00 34.95 33.41 3f1h s ARG 82 CO -0.03 0.33 0.13 1.03 0.00 0.00 0.00 175.30 176.75 3f1h s ARG 83 N -0.28 0.08 -0.31 3.54 1.81 -0.74 -5.01 118.95 118.04 3f1h s ARG 83 Ca 0.04 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 3f1h s ARG 83 Cb -0.08 -0.15 0.10 0.00 -0.45 0.00 0.00 34.95 34.37 3f1h s ARG 83 CO 0.00 -0.14 0.08 0.21 -0.68 0.00 0.00 175.30 174.77 3f1h s LYS 84 N 1.00 0.94 -0.12 3.54 2.20 -1.26 -1.40 119.74 124.64 3f1h s LYS 84 Ca -0.08 -1.27 -0.04 0.00 -0.36 0.00 0.00 55.97 54.22 3f1h s LYS 84 Cb -0.10 -2.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 3f1h s LYS 84 CO -0.05 -0.96 0.05 0.15 -0.36 0.00 0.00 175.35 174.18 3f1h s LYS 85 N 1.43 3.33 0.01 4.03 1.02 -0.37 -5.02 119.74 124.16 3f1h s LYS 85 Ca 0.10 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 3f1h s LYS 85 Cb -0.18 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3f1h s LYS 85 CO -0.20 0.61 0.43 0.20 -0.92 0.00 0.00 175.35 175.47 3f1h s GLY 86 N -0.61 2.51 -0.17 -3.33 0.00 -1.26 -1.70 107.32 102.75 3f1h s GLY 86 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.60 3f1h s GLY 86 CO 0.02 0.19 0.23 -1.58 0.00 0.00 0.00 173.10 171.96 3f1h s HIS 87 N -1.08 -0.32 -0.12 1.90 5.04 -0.71 -4.97 115.29 115.04 3f1h s HIS 87 Ca 0.24 0.45 0.01 0.00 -1.54 0.00 0.00 55.06 54.23 3f1h s HIS 87 Cb -0.17 -0.27 -0.01 0.00 0.04 0.00 0.00 32.58 32.17 3f1h s HIS 87 CO 0.14 -0.51 -0.14 -0.98 -2.34 0.00 0.00 174.74 170.90 3f1h s ARG 88 N 2.35 3.24 -0.21 2.88 1.04 -1.26 -1.51 118.95 125.47 3f1h s ARG 88 Ca 0.05 -0.71 -0.09 0.00 -1.04 0.00 0.00 55.73 53.95 3f1h s ARG 88 Cb -0.14 -2.56 -0.04 0.00 -2.04 0.00 0.00 34.95 30.16 3f1h s ARG 88 CO -0.11 0.26 0.11 -1.14 -0.04 0.00 0.00 175.30 174.39 3f1h s GLN 89 N 0.21 4.02 0.68 3.89 0.74 -1.26 -4.73 119.66 123.20 3f1h s GLN 89 Ca -0.09 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.85 3f1h s GLN 89 Cb -0.15 -3.37 0.01 0.00 1.10 0.00 0.00 33.01 30.59 3f1h s GLN 89 CO 0.05 0.16 1.20 -1.25 -0.55 0.00 0.00 175.29 174.90 3f1h s PRO 90 N 0.72 2.47 0.22 1.67 0.04 -1.26 -2.99 135.00 135.86 3f1h s PRO 90 Ca 0.06 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 3f1h s PRO 90 Cb -0.13 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.57 3f1h s PRO 90 CO 0.02 -1.58 0.47 2.48 0.04 0.00 0.00 177.00 178.43 3f1h n TYR 91 N -2.35 -1.73 -3.93 0.56 0.18 -0.05 -3.95 117.16 105.90 3f1h n TYR 91 Ca 0.13 -1.05 -0.09 0.00 1.88 0.00 0.00 57.90 58.77 3f1h n TYR 91 Cb 0.50 0.52 -0.09 0.00 -0.38 0.00 0.00 39.34 39.89 3f1h n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3f1h s THR 92 N -2.46 0.13 -0.37 -3.48 -4.23 -0.62 -1.97 115.64 102.63 3f1h s THR 92 Ca 0.09 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 3f1h s THR 92 Cb -0.03 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.97 3f1h s THR 92 CO 0.07 -0.59 0.20 -1.61 -0.54 0.00 0.00 174.62 172.14 3f1h s GLU 93 N -2.54 2.85 -0.13 3.99 2.02 0.10 -1.28 118.70 123.71 3f1h s GLU 93 Ca -0.06 -1.06 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 3f1h s GLU 93 Cb -0.02 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 3f1h s GLU 93 CO -0.04 -0.68 0.55 -0.51 0.02 0.00 0.00 175.26 174.60 3f1h s LEU 94 N 1.55 4.24 -0.24 1.80 1.43 0.84 0.81 118.68 129.11 3f1h s LEU 94 Ca 0.02 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 3f1h s LEU 94 Cb -0.19 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 3f1h s LEU 94 CO 0.06 -0.09 0.17 -0.22 0.23 0.00 0.00 176.35 176.50 3f1h s LEU 95 N 1.02 4.11 0.58 1.79 0.20 0.76 -0.47 118.68 126.67 3f1h s LEU 95 Ca 0.28 0.10 -0.14 0.00 0.69 0.00 0.00 54.13 55.06 3f1h s LEU 95 Cb -0.16 -2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 43.44 3f1h s LEU 95 CO 0.12 0.05 1.02 -0.63 -0.29 0.00 0.00 176.35 176.62 3f1h s ILE 96 N 1.13 4.35 0.00 6.68 -1.09 -0.46 0.27 121.20 132.09 3f1h s ILE 96 Ca 0.08 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3f1h s ILE 96 Cb -0.14 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3f1h s ILE 96 CO 0.05 -0.79 0.00 0.29 -1.23 0.00 0.00 174.94 173.26 3f1h n LYS 97 N -2.18 0.00 -2.88 2.79 5.02 -0.58 -3.86 118.16 116.47 3f1h n LYS 97 Ca 0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3f1h n LYS 97 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.51 3f1h n LYS 97 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3f1h s GLU 98 N 0.00 4.22 -0.36 1.97 2.02 -1.21 -4.03 118.70 121.30 3f1h s GLU 98 Ca 0.00 0.98 0.08 0.00 0.02 0.00 0.00 54.97 56.04 3f1h s GLU 98 Cb 0.00 -3.62 0.71 0.00 0.10 0.00 0.00 34.13 31.32 3f1h s GLU 98 CO 0.00 -0.46 1.83 0.44 0.02 0.00 0.00 175.26 177.08 3f1h n ILE 99 N 5.10 2.98 -1.60 -1.63 -0.00 -1.26 0.58 119.36 123.52 3f1h n ILE 99 Ca 0.05 -1.68 -0.60 0.00 -0.00 0.00 0.00 62.75 60.53 3f1h n ILE 99 Cb 0.48 -0.41 -0.09 0.00 -0.00 0.00 0.00 39.64 39.62 3f1h n ILE 99 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 3f1h n ARG 100 N -0.46 0.64 0.00 6.28 1.85 -1.25 -4.86 116.66 118.87 3f1h n ARG 100 Ca 0.47 0.22 0.11 0.00 -1.00 0.00 0.00 57.85 57.64 3f1h n ARG 100 Cb 1.47 -1.89 0.65 0.00 -1.05 0.00 0.00 32.46 31.64 3f1h n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03