#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LYS 2 N 0.00 2.39 -0.24 2.12 1.02 -1.26 -4.43 119.74 119.35 3f1h s LYS 2 Ca 0.00 1.18 -0.28 0.00 0.02 0.00 0.00 55.97 56.89 3f1h s LYS 2 Cb 0.00 -1.91 0.15 0.00 -0.52 0.00 0.00 37.83 35.55 3f1h s LYS 2 CO 0.00 -1.54 1.16 0.20 -0.92 0.00 0.00 175.35 174.25 3f1h s GLY 3 N -3.32 -0.06 -0.28 -3.33 0.00 -1.26 -2.93 107.32 96.13 3f1h s GLY 3 Ca 0.62 2.59 -0.23 0.00 0.00 0.00 0.00 44.72 47.70 3f1h s GLY 3 CO 0.54 1.35 0.94 -1.50 0.00 0.00 0.00 173.10 174.43 3f1h s ILE 4 N -0.64 0.00 0.65 0.90 1.10 -0.41 -4.99 121.20 117.81 3f1h s ILE 4 Ca 0.03 0.00 -0.10 0.00 -0.51 0.00 0.00 60.65 60.07 3f1h s ILE 4 Cb -0.02 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.58 3f1h s ILE 4 CO -0.05 0.00 1.03 -0.76 -2.11 0.00 0.00 174.94 173.05 3f1h s LEU 5 N 0.55 3.10 0.00 8.50 1.43 -1.26 -1.69 118.68 129.31 3f1h s LEU 5 Ca -0.00 1.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.04 3f1h s LEU 5 Cb -0.05 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.19 3f1h s LEU 5 CO -0.07 -1.10 0.98 0.61 0.23 0.00 0.00 176.35 177.00 3f1h n GLY 6 N -2.82 0.54 2.89 -3.19 0.00 -0.46 -4.05 105.19 98.10 3f1h n GLY 6 Ca 0.06 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 3f1h n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1h s VAL 7 N -2.09 0.25 -0.17 1.61 -7.23 -0.99 -1.32 120.40 110.46 3f1h s VAL 7 Ca 0.22 -0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.04 3f1h s VAL 7 Cb -0.02 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 3f1h s VAL 7 CO 0.03 0.11 1.48 -0.75 -0.31 0.00 0.00 175.10 175.66 3f1h s LYS 8 N 0.38 4.04 -0.08 4.82 2.20 -0.06 -1.58 119.74 129.46 3f1h s LYS 8 Ca -0.04 1.75 0.07 0.00 -0.36 0.00 0.00 55.97 57.39 3f1h s LYS 8 Cb -0.07 -3.92 -0.24 0.00 -1.51 0.00 0.00 37.83 32.09 3f1h s LYS 8 CO -0.01 -0.98 0.52 1.33 -0.36 0.00 0.00 175.35 175.86 3f1h n VAL 9 N 5.83 1.65 -0.68 4.02 0.24 -0.69 0.98 118.33 129.68 3f1h n VAL 9 Ca 0.16 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3f1h n VAL 9 Cb 0.45 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 3f1h n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1h n GLY 10 N 1.71 -0.61 3.31 7.63 0.00 -1.25 -4.52 105.19 111.46 3f1h n GLY 10 Ca -0.23 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3f1h n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3f1h s MET 11 N -1.66 0.52 0.00 1.61 0.23 -1.26 -0.49 119.30 118.25 3f1h s MET 11 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 55.69 55.15 3f1h s MET 11 Cb 0.00 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 3f1h s MET 11 CO 0.00 -0.08 0.00 0.25 -2.03 0.00 0.00 175.02 173.16 3f1h n THR 12 N 2.64 0.00 -4.00 3.16 -2.24 -0.60 -4.97 114.28 108.28 3f1h n THR 12 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3f1h n THR 12 Cb 0.57 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 3f1h n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1h s ARG 13 N 2.65 0.38 0.20 -0.78 1.70 -1.26 0.76 118.95 122.60 3f1h s ARG 13 Ca 0.00 -0.73 0.04 0.00 -0.47 0.00 0.00 55.73 54.57 3f1h s ARG 13 Cb 0.00 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 3f1h s ARG 13 CO 0.00 -0.07 -0.03 0.96 -1.08 0.00 0.00 175.30 175.08 3f1h s ILE 14 N -1.98 1.05 -0.34 4.99 -5.25 -0.54 -4.92 121.20 114.22 3f1h s ILE 14 Ca -0.11 -2.04 -0.07 0.00 -0.99 0.00 0.00 60.65 57.44 3f1h s ILE 14 Cb -0.06 -2.18 0.03 0.00 2.95 0.00 0.00 42.46 43.20 3f1h s ILE 14 CO -0.03 -0.46 0.12 -0.36 -1.79 0.00 0.00 174.94 172.42 3f1h s PHE 15 N -3.41 3.23 -0.11 1.37 0.08 -1.26 0.15 117.98 118.03 3f1h s PHE 15 Ca 0.25 -1.25 -0.30 0.00 0.12 0.00 0.00 56.93 55.75 3f1h s PHE 15 Cb 0.05 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 3f1h s PHE 15 CO 0.06 -0.68 1.10 0.50 -0.10 0.00 0.00 175.22 176.10 3f1h s ARG 16 N 1.45 4.36 0.43 0.44 6.06 -0.79 -4.73 118.95 126.17 3f1h s ARG 16 Ca -0.00 1.51 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 3f1h s ARG 16 Cb -0.19 -3.58 0.00 0.00 0.06 0.00 0.00 34.95 31.24 3f1h s ARG 16 CO 0.03 -0.43 0.00 -0.40 -2.50 0.00 0.00 175.30 172.00 3f1h n ASP 17 N 5.36 0.00 -2.79 -2.12 5.75 -1.26 -0.72 116.55 120.78 3f1h n ASP 17 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.78 3f1h n ASP 17 Cb 0.47 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.60 3f1h n ASP 17 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3f1h n ASP 18 N 1.30 0.30 -3.43 -1.12 8.00 -1.26 -5.06 116.55 115.27 3f1h n ASP 18 Ca 0.00 -2.81 0.01 0.00 0.71 0.00 0.00 54.79 52.71 3f1h n ASP 18 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3f1h n ASP 18 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3f1h s ARG 19 N -2.00 0.45 0.42 -1.24 3.52 0.11 -5.16 118.95 115.03 3f1h s ARG 19 Ca 0.28 1.03 -0.25 0.00 -0.13 0.00 0.00 55.73 56.67 3f1h s ARG 19 Cb 0.41 0.61 -0.08 0.00 -1.56 0.00 0.00 34.95 34.33 3f1h s ARG 19 CO -0.02 -0.24 1.24 0.00 -0.81 0.00 0.00 175.30 175.47 3f1h s ALA 20 N 2.75 3.16 -0.18 6.12 0.00 -1.26 -1.89 121.76 130.46 3f1h s ALA 20 Ca 0.01 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 3f1h s ALA 20 Cb -0.10 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.63 3f1h s ALA 20 CO -0.18 -0.73 0.03 0.08 0.00 0.00 0.00 175.76 174.96 3f1h s VAL 21 N -1.35 0.51 0.18 0.00 1.01 0.39 -4.87 120.40 116.28 3f1h s VAL 21 Ca 0.58 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3f1h s VAL 21 Cb -0.34 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 3f1h s VAL 21 CO 0.44 -0.16 1.34 -2.16 0.00 0.00 0.00 175.10 174.55 3f1h s PRO 22 N 1.87 4.36 -0.08 2.72 0.04 -1.26 -1.46 135.00 141.18 3f1h s PRO 22 Ca -0.00 2.08 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 3f1h s PRO 22 Cb -0.17 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3f1h s PRO 22 CO -0.08 -0.31 0.24 0.14 0.04 0.00 0.00 177.00 177.04 3f1h s VAL 23 N 0.34 0.01 -0.10 -0.36 -7.23 0.23 -3.61 120.40 109.68 3f1h s VAL 23 Ca 0.59 -0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.58 3f1h s VAL 23 Cb -0.37 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 3f1h s VAL 23 CO 0.37 -0.04 0.25 0.28 -0.31 0.00 0.00 175.10 175.64 3f1h s THR 24 N -0.04 5.32 -0.78 5.32 -1.32 -0.38 -1.56 115.64 122.20 3f1h s THR 24 Ca -0.02 0.45 -0.17 0.00 -1.21 0.00 0.00 61.69 60.75 3f1h s THR 24 Cb -0.02 -3.54 0.15 0.00 -1.51 0.00 0.00 72.50 67.58 3f1h s THR 24 CO 0.01 0.55 0.86 -0.69 -2.21 0.00 0.00 174.62 173.13 3f1h s VAL 25 N -0.62 5.08 0.62 5.08 1.01 0.36 -2.39 120.40 129.53 3f1h s VAL 25 Ca 0.17 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 3f1h s VAL 25 Cb -0.13 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 3f1h s VAL 25 CO 0.06 -1.21 1.05 -0.63 0.00 0.00 0.00 175.10 174.37 3f1h s ILE 26 N 1.78 4.00 -0.38 2.22 -1.09 -0.37 -1.70 121.20 125.66 3f1h s ILE 26 Ca 0.20 0.83 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 3f1h s ILE 26 Cb -0.13 -3.45 0.11 0.00 -1.58 0.00 0.00 42.46 37.42 3f1h s ILE 26 CO -0.04 -0.67 0.14 -0.22 -1.23 0.00 0.00 174.94 172.91 3f1h s LEU 27 N -4.83 3.43 -0.90 2.97 0.20 -0.61 -0.54 118.68 118.40 3f1h s LEU 27 Ca 0.61 -2.23 -0.07 0.00 0.69 0.00 0.00 54.13 53.13 3f1h s LEU 27 Cb -0.14 -1.25 -0.09 0.00 -0.43 0.00 0.00 46.19 44.27 3f1h s LEU 27 CO 0.43 -0.34 3.05 0.00 -0.29 0.00 0.00 176.35 179.19 3f1h n ALA 28 N 4.11 6.91 -1.17 5.97 0.00 -1.12 -2.35 120.51 132.85 3f1h n ALA 28 Ca 0.03 -3.03 -0.37 0.00 0.00 0.00 0.00 53.44 50.08 3f1h n ALA 28 Cb 0.39 -2.77 0.05 0.00 0.00 0.00 0.00 19.45 17.12 3f1h n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 29 N 2.53 -2.70 3.55 0.00 0.00 -1.26 -4.18 105.19 103.13 3f1h n GLY 29 Ca 0.61 -0.44 -0.55 0.00 0.00 0.00 0.00 46.02 45.63 3f1h n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1h n PRO 30 N 0.53 0.65 -3.87 1.61 -0.02 -1.26 -4.83 135.00 127.81 3f1h n PRO 30 Ca 0.07 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 3f1h n PRO 30 Cb 0.51 -1.82 -0.16 0.00 -0.02 0.00 0.00 33.50 32.01 3f1h n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h s PRO 32 N 1.62 4.22 -0.04 0.00 0.02 -1.24 -2.18 135.00 137.40 3f1h s PRO 32 Ca -0.01 1.03 -0.29 0.00 0.02 0.00 0.00 61.00 61.75 3f1h s PRO 32 Cb -0.16 -3.63 -0.08 0.00 0.02 0.00 0.00 34.50 30.65 3f1h s PRO 32 CO -0.07 -0.49 2.02 0.54 -0.33 0.00 0.00 177.00 178.66 3f1h s VAL 33 N 2.74 3.05 -0.10 3.83 0.11 -0.85 -1.82 120.40 127.35 3f1h s VAL 33 Ca 0.37 0.05 0.22 0.00 -2.93 0.00 0.00 61.98 59.69 3f1h s VAL 33 Cb -0.16 -3.04 -0.23 0.00 -1.53 0.00 0.00 36.38 31.42 3f1h s VAL 33 CO 0.08 -0.01 0.62 0.52 -3.33 0.00 0.00 175.10 172.98 3f1h n VAL 34 N 6.15 0.34 -3.64 2.04 0.31 0.28 -4.93 118.33 118.88 3f1h n VAL 34 Ca 0.22 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 3f1h n VAL 34 Cb 0.42 -0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.12 3f1h n VAL 34 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3f1h s GLN 35 N -3.37 0.50 0.13 5.55 0.74 -1.17 -4.81 119.66 117.22 3f1h s GLN 35 Ca -0.06 0.61 -0.06 0.00 0.05 0.00 0.00 55.36 55.91 3f1h s GLN 35 Cb 0.12 0.23 -0.06 0.00 1.10 0.00 0.00 33.01 34.41 3f1h s GLN 35 CO 0.87 -0.06 0.37 1.03 -0.55 0.00 0.00 175.29 176.95 3f1h s ARG 36 N 0.33 3.64 -0.30 1.67 0.52 -1.26 0.43 118.95 123.97 3f1h s ARG 36 Ca 0.02 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 3f1h s ARG 36 Cb -0.05 -2.88 0.08 0.00 0.52 0.00 0.00 34.95 32.62 3f1h s ARG 36 CO -0.07 0.49 0.00 1.03 0.02 0.00 0.00 175.30 176.77 3f1h s ARG 37 N -2.50 1.62 0.20 3.54 1.81 0.54 -4.94 118.95 119.22 3f1h s ARG 37 Ca 0.39 -1.56 0.07 0.00 -1.72 0.00 0.00 55.73 52.91 3f1h s ARG 37 Cb -0.12 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 3f1h s ARG 37 CO 0.23 -0.81 0.05 0.95 -0.68 0.00 0.00 175.30 175.04 3f1h s THR 38 N 1.08 3.90 0.51 0.02 -4.23 -1.18 -1.19 115.64 114.54 3f1h s THR 38 Ca 0.04 -1.46 0.27 0.00 -1.18 0.00 0.00 61.69 59.35 3f1h s THR 38 Cb -0.19 -3.01 0.31 0.00 1.34 0.00 0.00 72.50 70.95 3f1h s THR 38 CO -0.09 -0.20 2.15 1.55 -0.54 0.00 0.00 174.62 177.50 3f1h h PRO 39 N 2.32 0.00 -0.93 3.99 0.13 -1.83 0.89 132.00 136.57 3f1h h PRO 39 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 3f1h h PRO 39 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 3f1h h PRO 39 CO 0.60 0.06 0.52 0.93 -0.23 0.00 0.00 178.00 179.88 3f1h h GLU 40 N 0.00 0.68 0.00 0.86 5.08 -1.94 -3.11 114.58 116.15 3f1h h GLU 40 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3f1h h GLU 40 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3f1h h GLU 40 CO 0.01 0.45 -0.34 0.36 -1.00 0.00 0.00 179.01 178.49 3f1h n LYS 41 N -4.82 0.00 0.00 2.33 -0.00 -1.09 -4.86 118.16 109.72 3f1h n LYS 41 Ca 0.20 -0.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 3f1h n LYS 41 Cb 0.50 -0.37 0.00 0.00 -0.00 0.00 0.00 35.03 35.15 3f1h n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3f1h n ASP 42 N 0.00 1.35 0.00 -5.58 8.00 0.29 -4.96 116.55 115.64 3f1h n ASP 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3f1h n ASP 42 Cb 0.63 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3f1h n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f1h n GLY 43 N 1.06 2.21 3.33 0.44 0.00 -1.15 -4.93 105.19 106.16 3f1h n GLY 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3f1h n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3f1h s TYR 44 N -2.36 0.42 -0.14 1.61 1.13 -1.26 -4.70 117.35 112.05 3f1h s TYR 44 Ca 0.00 -0.78 -0.05 0.00 -1.41 0.00 0.00 57.07 54.84 3f1h s TYR 44 Cb 0.00 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.75 3f1h s TYR 44 CO 0.00 -0.71 0.01 0.95 -2.51 0.00 0.00 175.55 173.29 3f1h s THR 45 N -3.97 4.36 -0.02 -3.49 -4.23 -1.23 -3.12 115.64 103.94 3f1h s THR 45 Ca 0.18 -0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 3f1h s THR 45 Cb 0.03 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 71.07 3f1h s THR 45 CO 0.00 0.52 1.29 0.00 -0.54 0.00 0.00 174.62 175.89 3f1h s ALA 46 N -0.01 -2.43 -0.04 3.99 0.00 -0.33 0.76 121.76 123.70 3f1h s ALA 46 Ca 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3f1h s ALA 46 Cb -0.13 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.82 3f1h s ALA 46 CO 0.02 -1.13 0.05 0.08 0.00 0.00 0.00 175.76 174.77 3f1h s VAL 47 N -2.08 -0.07 -0.80 0.00 1.01 -0.62 -0.34 120.40 117.50 3f1h s VAL 47 Ca 0.27 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 3f1h s VAL 47 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.24 3f1h s VAL 47 CO -0.01 0.17 1.50 -1.58 0.00 0.00 0.00 175.10 175.18 3f1h s GLN 48 N 1.94 3.12 0.19 2.72 0.74 0.17 -2.12 119.66 126.42 3f1h s GLN 48 Ca 0.02 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 3f1h s GLN 48 Cb -0.12 -4.61 -0.08 0.00 1.10 0.00 0.00 33.01 29.30 3f1h s GLN 48 CO -0.03 -2.40 0.93 -0.51 -0.55 0.00 0.00 175.29 172.73 3f1h s LEU 49 N 6.62 4.60 0.37 3.68 2.01 -0.97 0.10 118.68 135.08 3f1h s LEU 49 Ca 0.47 1.87 0.06 0.00 0.01 0.00 0.00 54.13 56.55 3f1h s LEU 49 Cb -0.07 -3.57 -0.00 0.00 0.01 0.00 0.00 46.19 42.56 3f1h s LEU 49 CO 0.08 0.09 0.52 -0.83 1.01 0.00 0.00 176.35 177.22 3f1h s GLY 50 N -0.80 1.69 -0.28 -3.19 0.00 -0.76 -2.23 107.32 101.75 3f1h s GLY 50 Ca 0.42 -1.48 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 3f1h s GLY 50 CO 0.31 -1.36 0.80 -0.12 0.00 0.00 0.00 173.10 172.73 3f1h s PHE 51 N -2.27 -0.83 0.13 1.90 5.36 0.28 -3.68 117.98 118.87 3f1h s PHE 51 Ca 0.48 1.75 0.00 0.00 -0.96 0.00 0.00 56.93 58.20 3f1h s PHE 51 Cb -0.10 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 3f1h s PHE 51 CO 0.32 -0.41 0.00 1.28 -1.46 0.00 0.00 175.22 174.95 3f1h n LEU 52 N 3.64 -3.98 -4.68 6.12 4.77 -1.26 -2.39 117.00 119.21 3f1h n LEU 52 Ca -0.18 1.54 -0.30 0.00 -0.03 0.00 0.00 56.01 57.04 3f1h n LEU 52 Cb 0.58 -1.61 0.15 0.00 -2.33 0.00 0.00 43.42 40.21 3f1h n LEU 52 CO 0.00 -0.63 0.66 -2.16 -1.33 0.00 0.00 177.39 173.93 3f1h s PRO 53 N -2.36 1.08 -0.13 3.23 0.04 -1.26 0.14 135.00 135.75 3f1h s PRO 53 Ca 0.00 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 3f1h s PRO 53 Cb 0.00 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.81 3f1h s PRO 53 CO 0.00 -2.45 0.33 -1.14 0.04 0.00 0.00 177.00 173.78 3f1h s GLN 54 N -4.77 0.37 0.02 4.56 -0.44 -0.60 -4.18 119.66 114.61 3f1h s GLN 54 Ca 0.65 0.52 -0.30 0.00 -2.50 0.00 0.00 55.36 53.72 3f1h s GLN 54 Cb -0.20 0.12 -0.05 0.00 -1.64 0.00 0.00 33.01 31.23 3f1h s GLN 54 CO 0.58 -0.08 1.26 -0.80 0.50 0.00 0.00 175.29 176.76 3f1h s ASN 55 N 0.50 7.00 0.00 6.67 0.01 -1.26 -4.77 114.94 123.08 3f1h s ASN 55 Ca -0.03 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.13 3f1h s ASN 55 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3f1h s ASN 55 CO -0.03 -0.58 0.28 -2.65 -1.51 0.00 0.00 177.10 172.61 3f1h n PRO 56 N 4.66 0.00 0.09 -0.60 -0.02 -1.26 -2.47 135.00 135.40 3f1h n PRO 56 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 3f1h n PRO 56 Cb 0.45 -1.36 0.07 0.00 -0.02 0.00 0.00 33.50 32.64 3f1h n PRO 56 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3f1h h LYS 57 N 0.00 0.20 0.00 -0.52 5.09 -2.02 -3.21 116.57 116.11 3f1h h LYS 57 Ca 0.00 -0.16 -0.33 0.00 0.09 0.00 0.00 60.65 60.24 3f1h h LYS 57 Cb 0.00 0.03 -0.06 0.00 0.10 0.00 0.00 32.23 32.30 3f1h h LYS 57 CO 0.00 0.82 -2.13 -2.13 -2.09 0.00 0.00 179.45 173.92 3f1h n ARG 58 N -3.78 0.67 0.00 0.07 3.00 -1.03 -4.11 116.66 111.48 3f1h n ARG 58 Ca -0.03 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3f1h n ARG 58 Cb 0.69 -1.62 0.02 0.00 0.00 0.00 0.00 32.46 31.55 3f1h n ARG 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3f1h n VAL 59 N -2.84 0.00 -0.48 5.15 0.31 -1.22 -3.60 118.33 115.64 3f1h n VAL 59 Ca -0.27 0.00 0.41 0.00 -0.01 0.00 0.00 64.34 64.48 3f1h n VAL 59 Cb 1.11 -0.28 0.75 0.00 -0.91 0.00 0.00 33.84 34.51 3f1h n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3f1h h ASN 60 N 0.00 0.06 -3.04 4.52 -0.00 -1.70 -3.35 115.58 112.07 3f1h h ASN 60 Ca 0.00 0.02 -0.58 0.00 -0.00 0.00 0.00 56.30 55.74 3f1h h ASN 60 Cb 0.00 0.02 0.15 0.00 -0.00 0.00 0.00 38.32 38.49 3f1h h ASN 60 CO 0.00 -0.02 -0.12 0.54 -0.00 0.00 0.00 177.43 177.83 3f1h n ARG 61 N -4.19 0.84 0.00 6.67 1.74 -1.24 -4.73 116.66 115.75 3f1h n ARG 61 Ca 0.34 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3f1h n ARG 61 Cb 1.52 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 3f1h n ARG 61 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3f1h n PRO 62 N -0.13 0.00 -0.27 5.56 -0.02 -1.26 -1.74 135.00 137.14 3f1h n PRO 62 Ca 0.11 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.84 3f1h n PRO 62 Cb 0.44 -1.29 0.59 0.00 -0.02 0.00 0.00 33.50 33.22 3f1h n PRO 62 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3f1h h LEU 63 N 0.00 0.28 -1.44 2.45 3.38 -1.85 1.02 115.31 119.15 3f1h h LEU 63 Ca 0.00 0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.28 3f1h h LEU 63 Cb 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3f1h h LEU 63 CO 0.00 0.08 0.68 0.50 0.09 0.00 0.00 178.44 179.79 3f1h h LYS 64 N 0.26 0.33 -0.05 1.13 1.63 -1.47 0.98 116.57 119.39 3f1h h LYS 64 Ca 0.52 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.17 3f1h h LYS 64 Cb 1.56 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.10 3f1h h LYS 64 CO -0.16 0.22 -0.56 0.78 -3.45 0.00 0.00 179.45 176.28 3f1h h GLY 65 N 0.34 0.17 0.64 5.01 0.00 0.85 0.28 103.07 110.36 3f1h h GLY 65 Ca 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 3f1h h GLY 65 CO -0.26 0.18 -0.06 0.84 0.00 0.00 0.00 176.54 177.24 3f1h h HIS 66 N 0.12 0.21 -0.18 5.60 -0.00 0.96 -1.10 115.15 120.77 3f1h h HIS 66 Ca -0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 3f1h h HIS 66 Cb 1.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.38 3f1h h HIS 66 CO 0.01 0.60 -0.15 0.74 -0.00 0.00 0.00 177.93 179.13 3f1h h PHE 67 N -0.24 0.31 -0.46 5.26 0.05 -0.64 -2.70 116.94 118.51 3f1h h PHE 67 Ca 0.01 -0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.67 3f1h h PHE 67 Cb 0.56 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.41 3f1h h PHE 67 CO 0.08 0.44 -0.08 0.00 -0.18 0.00 0.00 178.31 178.57 3f1h h ALA 68 N 1.58 0.64 0.00 2.45 0.00 -0.37 -0.66 119.26 122.89 3f1h h ALA 68 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3f1h h ALA 68 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3f1h h ALA 68 CO 0.03 0.51 0.00 1.17 0.00 0.00 0.00 179.25 180.95 3f1h n LYS 69 N -4.28 0.46 0.00 0.00 0.00 -0.42 -1.26 118.16 112.67 3f1h n LYS 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3f1h n LYS 69 Cb 0.36 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.33 3f1h n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f1h n ALA 70 N -0.57 0.46 -2.42 3.14 0.00 -1.04 -5.03 120.51 115.05 3f1h n ALA 70 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3f1h n ALA 70 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 3f1h n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 71 N 0.00 -0.48 3.87 0.00 0.00 -0.36 -4.98 105.19 103.25 3f1h n GLY 71 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3f1h n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 72 N -3.03 4.99 -0.02 1.61 1.01 -0.58 -5.02 120.40 119.36 3f1h s VAL 72 Ca 0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3f1h s VAL 72 Cb -0.01 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 3f1h s VAL 72 CO 0.02 -0.02 1.62 -0.70 0.00 0.00 0.00 175.10 176.02 3f1h s GLU 73 N -2.93 4.20 -0.28 2.72 2.56 -1.26 -4.64 118.70 119.07 3f1h s GLU 73 Ca 0.33 2.20 -0.34 0.00 0.00 0.00 0.00 54.97 57.16 3f1h s GLU 73 Cb -0.11 -3.84 -0.10 0.00 2.00 0.00 0.00 34.13 32.07 3f1h s GLU 73 CO 0.26 -0.79 2.13 -0.35 -0.56 0.00 0.00 175.26 175.95 3f1h n PRO 74 N 6.55 1.43 -1.54 4.30 -0.04 -1.26 -4.91 135.00 139.52 3f1h n PRO 74 Ca 0.16 0.43 -0.15 0.00 -0.04 0.00 0.00 63.50 63.90 3f1h n PRO 74 Cb 0.42 -2.63 0.09 0.00 -0.04 0.00 0.00 33.50 31.34 3f1h n PRO 74 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3f1h n VAL 75 N 6.85 0.00 -0.12 0.52 0.24 -1.26 -1.56 118.33 123.01 3f1h n VAL 75 Ca 0.35 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 61.70 3f1h n VAL 75 Cb 0.28 -1.31 -0.13 0.00 -1.47 0.00 0.00 33.84 31.21 3f1h n VAL 75 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3f1h n ARG 76 N -2.28 0.66 -3.87 7.34 0.63 0.37 -4.52 116.66 115.00 3f1h n ARG 76 Ca 0.10 0.09 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 3f1h n ARG 76 Cb 0.34 -1.52 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 3f1h n ARG 76 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3f1h s ILE 77 N -2.51 0.00 -0.12 5.15 1.01 -1.01 -5.03 121.20 118.70 3f1h s ILE 77 Ca -0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3f1h s ILE 77 Cb 0.08 -0.04 0.05 0.00 0.01 0.00 0.00 42.46 42.56 3f1h s ILE 77 CO 0.68 -0.01 0.28 -1.48 0.00 0.00 0.00 174.94 174.41 3f1h s LEU 78 N -0.02 0.30 0.08 2.97 2.34 -1.26 -0.56 118.68 122.53 3f1h s LEU 78 Ca -0.00 0.60 0.01 0.00 0.06 0.00 0.00 54.13 54.79 3f1h s LEU 78 Cb -0.00 0.85 -0.04 0.00 -0.56 0.00 0.00 46.19 46.44 3f1h s LEU 78 CO 0.00 -0.17 -0.05 -0.13 -1.06 0.00 0.00 176.35 174.94 3f1h s ARG 79 N 1.31 0.75 -0.08 1.48 3.00 -0.95 -4.97 118.95 119.50 3f1h s ARG 79 Ca -0.09 -1.30 -0.13 0.00 0.00 0.00 0.00 55.73 54.22 3f1h s ARG 79 Cb -0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 34.95 34.77 3f1h s ARG 79 CO -0.09 -0.06 0.31 -1.21 0.00 0.00 0.00 175.30 174.24 3f1h s GLU 80 N -3.88 3.91 -0.22 3.54 2.02 -1.26 -2.30 118.70 120.51 3f1h s GLU 80 Ca 0.10 0.18 -0.15 0.00 0.02 0.00 0.00 54.97 55.13 3f1h s GLU 80 Cb 0.06 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3f1h s GLU 80 CO -0.07 0.56 0.35 0.42 0.02 0.00 0.00 175.26 176.55 3f1h s ILE 81 N -0.55 5.23 0.39 -1.63 -1.09 -0.90 -4.92 121.20 117.73 3f1h s ILE 81 Ca 0.19 0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 59.00 3f1h s ILE 81 Cb -0.14 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 36.95 3f1h s ILE 81 CO 0.08 0.26 0.89 -0.60 -1.23 0.00 0.00 174.94 174.33 3f1h s ARG 82 N 1.36 4.19 -1.34 2.79 6.06 -1.26 -1.59 118.95 129.16 3f1h s ARG 82 Ca 0.16 1.01 -0.07 0.00 -2.50 0.00 0.00 55.73 54.33 3f1h s ARG 82 Cb -0.15 -2.30 0.04 0.00 0.06 0.00 0.00 34.95 32.61 3f1h s ARG 82 CO 0.07 0.05 0.45 -0.25 -2.50 0.00 0.00 175.30 173.12 3f1h n ASP 83 N -0.47 -4.44 -3.62 -2.12 8.00 0.23 -4.88 116.55 109.25 3f1h n ASP 83 Ca 0.06 -0.28 -0.29 0.00 0.71 0.00 0.00 54.79 54.98 3f1h n ASP 83 Cb 0.53 -3.65 -0.14 0.00 -0.02 0.00 0.00 41.12 37.84 3f1h n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3f1h s PHE 84 N -2.96 1.14 -0.42 1.24 5.99 -1.25 -4.34 117.98 117.37 3f1h s PHE 84 Ca 0.32 -1.55 -0.10 0.00 0.00 0.00 0.00 56.93 55.59 3f1h s PHE 84 Cb -0.16 -1.34 0.07 0.00 0.00 0.00 0.00 43.02 41.59 3f1h s PHE 84 CO 0.39 -0.84 0.28 1.21 -0.00 0.00 0.00 175.22 176.25 3f1h s ASN 85 N 1.48 5.74 0.00 6.13 3.84 -1.26 -4.01 114.94 126.85 3f1h s ASN 85 Ca 0.12 -1.42 0.00 0.00 0.21 0.00 0.00 52.86 51.77 3f1h s ASN 85 Cb -0.19 -2.03 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 3f1h s ASN 85 CO -0.20 -0.54 0.00 -0.81 -2.79 0.00 0.00 177.10 172.76 3f1h n PRO 86 N 4.98 1.02 -4.41 0.43 -0.04 -1.26 -5.08 135.00 130.63 3f1h n PRO 86 Ca -0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 3f1h n PRO 86 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 3f1h n PRO 86 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3f1h s GLU 87 N 0.00 1.50 0.00 0.54 4.04 -1.26 -5.04 118.70 118.48 3f1h s GLU 87 Ca 0.00 -1.69 -0.02 0.00 0.04 0.00 0.00 54.97 53.30 3f1h s GLU 87 Cb 0.00 -1.38 -0.08 0.00 0.02 0.00 0.00 34.13 32.69 3f1h s GLU 87 CO 0.00 0.22 1.48 0.41 -1.84 0.00 0.00 175.26 175.52 3f1h n GLY 88 N -0.51 1.63 0.00 -3.83 0.00 -1.26 -4.38 105.19 96.85 3f1h n GLY 88 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3f1h n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3f1h n ASP 89 N 2.76 0.00 -3.76 1.61 4.64 -1.26 -5.03 116.55 115.52 3f1h n ASP 89 Ca 0.13 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.42 3f1h n ASP 89 Cb 0.30 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.25 3f1h n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3f1h s THR 90 N 0.82 -0.02 0.24 5.18 2.01 -1.26 -2.00 115.64 120.61 3f1h s THR 90 Ca 0.00 0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 3f1h s THR 90 Cb 0.00 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 72.08 3f1h s THR 90 CO 0.00 0.03 0.52 0.68 -0.69 0.00 0.00 174.62 175.17 3f1h s VAL 91 N 0.74 5.01 0.30 3.82 -7.23 -0.93 -4.97 120.40 117.14 3f1h s VAL 91 Ca -0.05 0.23 0.03 0.00 -1.81 0.00 0.00 61.98 60.38 3f1h s VAL 91 Cb -0.06 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 3f1h s VAL 91 CO -0.04 -0.16 0.14 0.42 -0.31 0.00 0.00 175.10 175.15 3f1h s THR 92 N -1.91 0.41 -0.14 5.32 -4.23 -1.26 -3.17 115.64 110.67 3f1h s THR 92 Ca 0.45 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.15 3f1h s THR 92 Cb -0.11 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.39 3f1h s THR 92 CO 0.25 0.00 1.55 1.33 -0.54 0.00 0.00 174.62 177.22 3f1h n VAL 93 N -0.59 0.92 0.27 2.29 0.24 -1.26 -2.23 118.33 117.97 3f1h n VAL 93 Ca 0.00 0.74 0.12 0.00 -2.04 0.00 0.00 64.34 63.16 3f1h n VAL 93 Cb 0.65 -1.74 0.74 0.00 -1.47 0.00 0.00 33.84 32.02 3f1h n VAL 93 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3f1h h GLU 94 N 0.00 0.00 -0.11 7.34 4.39 -1.95 -0.72 114.58 123.53 3f1h h GLU 94 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3f1h h GLU 94 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3f1h h GLU 94 CO 0.00 0.08 0.14 0.82 -1.16 0.00 0.00 179.01 178.89 3f1h h ILE 95 N 0.00 0.44 -3.24 3.13 2.04 -1.86 -3.39 117.51 114.63 3f1h h ILE 95 Ca -0.00 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.22 3f1h h ILE 95 Cb 0.20 0.88 -0.16 0.00 -0.74 0.00 0.00 36.82 37.00 3f1h h ILE 95 CO 0.01 0.00 -0.59 -0.36 0.00 0.00 0.00 178.15 177.21 3f1h s PHE 96 N -4.58 3.22 0.11 1.37 2.99 -0.28 -5.05 117.98 115.76 3f1h s PHE 96 Ca -0.05 0.08 0.07 0.00 0.00 0.00 0.00 56.93 57.03 3f1h s PHE 96 Cb 0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 43.02 41.15 3f1h s PHE 96 CO 0.53 0.25 -0.08 0.21 -0.00 0.00 0.00 175.22 176.12 3f1h s LYS 97 N -0.05 2.18 0.32 0.44 2.20 -1.26 -4.94 119.74 118.63 3f1h s LYS 97 Ca 0.05 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 3f1h s LYS 97 Cb -0.12 -2.33 -0.12 0.00 -1.51 0.00 0.00 37.83 33.74 3f1h s LYS 97 CO 0.01 0.51 1.33 -2.30 -0.36 0.00 0.00 175.35 174.54 3f1h n PRO 98 N 0.61 2.14 0.00 4.03 -0.02 -1.26 -1.93 135.00 138.58 3f1h n PRO 98 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3f1h n PRO 98 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3f1h n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1h n GLY 99 N 1.09 3.30 3.54 -1.23 0.00 -0.08 -5.04 105.19 106.77 3f1h n GLY 99 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3f1h n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f1h s GLU 100 N -0.63 -0.60 0.07 1.61 2.02 -0.81 -4.74 118.70 115.61 3f1h s GLU 100 Ca 0.00 0.76 0.05 0.00 0.02 0.00 0.00 54.97 55.80 3f1h s GLU 100 Cb 0.00 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 3f1h s GLU 100 CO 0.00 -3.49 -0.14 1.03 0.02 0.00 0.00 175.26 172.68 3f1h s ARG 101 N -4.59 0.80 0.02 1.61 0.52 -1.26 -0.58 118.95 115.47 3f1h s ARG 101 Ca 0.68 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 3f1h s ARG 101 Cb -0.23 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.44 3f1h s ARG 101 CO 0.63 0.17 -0.07 0.14 0.02 0.00 0.00 175.30 176.19 3f1h s VAL 102 N -1.27 0.51 0.14 3.52 -7.23 0.23 -3.13 120.40 113.18 3f1h s VAL 102 Ca -0.03 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 3f1h s VAL 102 Cb -0.10 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 36.28 3f1h s VAL 102 CO 0.02 -0.09 0.45 -1.81 -0.31 0.00 0.00 175.10 173.36 3f1h s ASP 103 N -0.78 6.62 -0.04 4.85 1.01 0.30 -0.30 116.67 128.33 3f1h s ASP 103 Ca -0.03 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.04 3f1h s ASP 103 Cb -0.06 -2.18 0.03 0.00 1.01 0.00 0.00 42.92 41.72 3f1h s ASP 103 CO 0.00 0.07 -0.00 -0.69 0.21 0.00 0.00 175.17 174.76 3f1h s VAL 104 N -1.58 0.24 0.04 -1.27 1.01 -0.60 -1.47 120.40 116.76 3f1h s VAL 104 Ca 0.39 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3f1h s VAL 104 Cb -0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3f1h s VAL 104 CO 0.21 0.17 0.06 -0.89 0.00 0.00 0.00 175.10 174.65 3f1h s THR 105 N 1.18 4.50 0.17 3.92 2.01 -0.21 -0.69 115.64 126.52 3f1h s THR 105 Ca -0.07 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.05 3f1h s THR 105 Cb -0.13 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.33 3f1h s THR 105 CO -0.02 0.24 0.85 -0.83 -0.69 0.00 0.00 174.62 174.17 3f1h s GLY 106 N -2.04 -0.25 -0.46 4.40 0.00 0.13 -2.38 107.32 106.73 3f1h s GLY 106 Ca 0.25 0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 3f1h s GLY 106 CO 0.17 0.02 0.39 -0.51 0.00 0.00 0.00 173.10 173.18 3f1h s THR 107 N -3.50 5.20 1.01 0.90 -4.23 -1.26 -0.40 115.64 113.36 3f1h s THR 107 Ca 0.10 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.60 3f1h s THR 107 Cb -0.03 -4.09 0.09 0.00 1.34 0.00 0.00 72.50 69.81 3f1h s THR 107 CO 0.01 -0.52 0.44 -1.54 -0.54 0.00 0.00 174.62 172.47 3f1h n SER 108 N 5.30 -1.83 -4.77 3.99 3.41 -0.60 -3.26 113.62 115.85 3f1h n SER 108 Ca -0.11 0.19 -0.40 0.00 -0.26 0.00 0.00 58.87 58.29 3f1h n SER 108 Cb 0.45 -1.18 -0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3f1h n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3f1h s LYS 109 N -3.77 4.02 -0.51 4.33 1.02 -1.26 -2.35 119.74 121.21 3f1h s LYS 109 Ca 0.59 2.26 -0.27 0.00 0.02 0.00 0.00 55.97 58.57 3f1h s LYS 109 Cb -0.19 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3f1h s LYS 109 CO 0.66 -0.49 1.04 0.20 -0.92 0.00 0.00 175.35 175.84 3f1h s GLY 110 N -0.58 1.35 -0.00 -3.33 0.00 -1.26 -2.20 107.32 101.29 3f1h s GLY 110 Ca 0.55 -0.81 0.17 0.00 0.00 0.00 0.00 44.72 44.63 3f1h s GLY 110 CO 0.53 2.23 1.40 0.54 0.00 0.00 0.00 173.10 177.80 3f1h n ARG 111 N 7.66 2.30 0.00 2.90 1.74 -0.33 -4.90 116.66 126.04 3f1h n ARG 111 Ca 0.07 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 3f1h n ARG 111 Cb 0.49 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3f1h n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 112 N 1.36 1.01 3.60 -0.13 0.00 -1.22 -4.28 105.19 105.53 3f1h n GLY 112 Ca 0.18 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3f1h n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f1h s PHE 113 N 0.00 2.33 0.03 1.61 5.36 -1.26 -1.34 117.98 124.71 3f1h s PHE 113 Ca 0.00 0.65 -0.05 0.00 -0.96 0.00 0.00 56.93 56.57 3f1h s PHE 113 Cb 0.00 -4.31 -0.05 0.00 -0.34 0.00 0.00 43.02 38.33 3f1h s PHE 113 CO 0.00 -2.06 0.27 0.00 -1.46 0.00 0.00 175.22 171.97 3f1h s ALA 114 N 5.67 3.87 0.24 11.12 0.00 0.74 -4.94 121.76 138.46 3f1h s ALA 114 Ca 0.62 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3f1h s ALA 114 Cb -0.14 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 3f1h s ALA 114 CO 0.32 0.68 1.14 0.20 0.00 0.00 0.00 175.76 178.10 3f1h s GLY 115 N -1.91 2.92 0.52 0.00 0.00 -1.26 -2.87 107.32 104.71 3f1h s GLY 115 Ca 0.30 0.92 0.30 0.00 0.00 0.00 0.00 44.72 46.25 3f1h s GLY 115 CO 0.19 1.65 1.86 -0.24 0.00 0.00 0.00 173.10 176.56 3f1h h VAL 116 N 3.38 0.53 -0.70 1.40 3.04 -1.89 0.46 116.25 122.47 3f1h h VAL 116 Ca -0.46 -0.02 0.15 0.00 -1.01 0.00 0.00 66.70 65.36 3f1h h VAL 116 Cb 1.21 0.45 -0.11 0.00 -2.01 0.00 0.00 31.29 30.84 3f1h h VAL 116 CO 0.70 0.01 0.13 -0.03 -1.01 0.00 0.00 177.57 177.37 3f1h h MET 117 N 0.07 0.22 0.02 4.17 -1.53 -1.91 -1.89 114.93 114.09 3f1h h MET 117 Ca 0.47 -0.01 -0.38 0.00 -3.44 0.00 0.00 59.70 56.34 3f1h h MET 117 Cb 1.75 -0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 32.69 3f1h h MET 117 CO -0.05 0.15 -2.35 1.17 0.14 0.00 0.00 176.91 175.97 3f1h n LYS 118 N -5.19 0.68 -0.33 0.39 4.81 0.12 -2.06 118.16 116.57 3f1h n LYS 118 Ca 0.13 0.16 -0.01 0.00 -0.87 0.00 0.00 58.31 57.71 3f1h n LYS 118 Cb 0.43 -1.56 0.14 0.00 0.02 0.00 0.00 35.03 34.06 3f1h n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3f1h h ARG 119 N 0.01 1.24 0.00 1.64 1.12 -0.29 -3.02 114.38 115.08 3f1h h ARG 119 Ca -0.54 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.25 3f1h h ARG 119 Cb 1.97 -0.28 0.00 0.00 -0.01 0.00 0.00 29.97 31.65 3f1h h ARG 119 CO -0.04 0.82 -0.15 0.91 -3.11 0.00 0.00 179.97 178.40 3f1h n TRP 120 N -4.39 0.00 -3.60 2.20 7.02 -0.72 -5.00 117.44 112.96 3f1h n TRP 120 Ca 0.11 -0.67 -0.27 0.00 -1.02 0.00 0.00 57.50 55.65 3f1h n TRP 120 Cb 0.02 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.80 3f1h n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3f1h n ASN 121 N -0.96 -4.02 -3.32 -0.99 4.13 -0.93 -4.92 115.26 104.24 3f1h n ASN 121 Ca 0.11 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.80 3f1h n ASN 121 Cb 0.65 -3.29 0.00 0.00 -1.54 0.00 0.00 39.78 35.60 3f1h n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3f1h n PHE 122 N -4.20 -0.11 -1.17 3.10 3.01 -0.87 -4.98 117.46 112.24 3f1h n PHE 122 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3f1h n PHE 122 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3f1h n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3f1h n ALA 123 N -3.00 0.00 -0.19 4.37 0.00 -1.26 -4.96 120.51 115.47 3f1h n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1h n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f1h n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 124 N 0.00 2.69 3.53 0.00 0.00 -1.25 -4.84 105.19 105.33 3f1h n GLY 124 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3f1h n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1h s GLY 125 N 0.00 1.10 0.10 -0.02 0.00 0.10 -4.91 107.32 103.70 3f1h s GLY 125 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 44.72 43.10 3f1h s GLY 125 CO 0.00 -0.84 1.28 -1.05 0.00 0.00 0.00 173.10 172.49 3f1h n PRO 126 N -0.49 1.10 0.00 2.90 -0.02 -1.26 -4.67 135.00 132.55 3f1h n PRO 126 Ca -0.01 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3f1h n PRO 126 Cb 0.62 -1.99 0.55 0.00 -0.02 0.00 0.00 33.50 32.65 3f1h n PRO 126 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1h n ASP 127 N 2.35 0.00 0.00 2.55 9.92 -1.26 -4.72 116.55 125.39 3f1h n ASP 127 Ca 0.18 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 3f1h n ASP 127 Cb 0.20 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3f1h n ASP 127 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3f1h n SER 128 N -1.18 0.00 -0.56 -2.24 2.88 -1.26 -4.96 113.62 106.31 3f1h n SER 128 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3f1h n SER 128 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3f1h n SER 128 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3f1h n HIS 129 N -2.25 0.00 0.00 0.66 8.25 -1.26 -4.81 115.22 115.81 3f1h n HIS 129 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3f1h n HIS 129 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3f1h n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1h n GLY 130 N 0.44 1.08 4.29 -1.41 0.00 -1.26 -5.04 105.19 103.28 3f1h n GLY 130 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3f1h n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h n ALA 131 N -1.16 0.00 0.00 4.61 0.00 -1.26 -4.73 120.51 117.98 3f1h n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1h n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f1h n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3f1h n HIS 132 N 0.00 0.00 -0.61 0.00 -0.00 -1.26 -4.01 115.22 109.34 3f1h n HIS 132 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 3f1h n HIS 132 Cb 0.00 -0.22 0.34 0.00 -0.12 0.00 0.00 29.99 29.99 3f1h n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3f1h n LYS 133 N 0.00 3.60 -0.46 1.57 5.02 -1.26 -4.39 118.16 122.24 3f1h n LYS 133 Ca 0.00 -2.83 0.05 0.00 -2.02 0.00 0.00 58.31 53.51 3f1h n LYS 133 Cb 0.00 -1.84 0.09 0.00 -0.02 0.00 0.00 35.03 33.26 3f1h n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3f1h n ILE 134 N 1.04 1.05 0.14 -0.18 -6.64 -1.26 -4.92 119.36 108.59 3f1h n ILE 134 Ca 0.25 -1.46 -0.09 0.00 -1.77 0.00 0.00 62.75 59.68 3f1h n ILE 134 Cb 0.85 0.16 -0.05 0.00 -1.44 0.00 0.00 39.64 39.17 3f1h n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3f1h h HIS 135 N 0.25 -0.70 -0.60 4.28 3.86 -1.83 -2.89 115.15 117.51 3f1h h HIS 135 Ca -0.03 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.98 3f1h h HIS 135 Cb 1.24 0.28 -0.13 0.00 1.06 0.00 0.00 27.41 29.86 3f1h h HIS 135 CO 0.16 -0.33 0.27 0.54 0.86 0.00 0.00 177.93 179.42 3f1h n ARG 136 N -3.88 2.82 -2.97 2.45 1.74 -1.26 0.02 116.66 115.58 3f1h n ARG 136 Ca -0.06 -2.28 -0.27 0.00 -0.77 0.00 0.00 57.85 54.46 3f1h n ARG 136 Cb 0.23 -1.97 -0.01 0.00 -1.02 0.00 0.00 32.46 29.69 3f1h n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3f1h s HIS 137 N -2.39 3.52 -0.42 -1.55 3.76 -1.09 -4.45 115.29 112.67 3f1h s HIS 137 Ca 0.42 0.72 0.23 0.00 -0.15 0.00 0.00 55.06 56.27 3f1h s HIS 137 Cb 0.34 -2.20 0.31 0.00 1.11 0.00 0.00 32.58 32.13 3f1h s HIS 137 CO 0.10 -0.07 1.56 -1.00 -0.85 0.00 0.00 174.74 174.48 3f1h h PRO 138 N 0.80 0.00 0.00 8.40 0.14 -1.92 -3.33 132.00 136.09 3f1h h PRO 138 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 3f1h h PRO 138 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 3f1h h PRO 138 CO 0.63 0.02 0.00 0.41 0.14 0.00 0.00 178.00 179.19 3f1h n GLY 139 N 1.11 -1.34 3.30 1.56 0.00 -1.26 -4.89 105.19 103.67 3f1h n GLY 139 Ca 0.04 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3f1h n GLY 139 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3f1h n SER 140 N -0.23 -3.00 0.00 1.61 2.88 -1.26 -4.94 113.62 108.68 3f1h n SER 140 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 3f1h n SER 140 Cb 0.00 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3f1h n SER 140 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3f1h n ILE 141 N -2.45 0.07 -2.11 2.46 -5.35 -1.26 -5.12 119.36 105.59 3f1h n ILE 141 Ca 0.06 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3f1h n ILE 141 Cb 0.51 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3f1h n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f1h n GLY 142 N -0.03 2.02 1.14 3.28 0.00 -1.26 -4.85 105.19 105.48 3f1h n GLY 142 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3f1h n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f1h n ASN 143 N 0.00 0.21 -3.68 1.61 4.13 -1.26 -5.12 115.26 111.14 3f1h n ASN 143 Ca 0.00 -1.76 0.00 0.00 1.68 0.00 0.00 54.58 54.50 3f1h n ASN 143 Cb 0.00 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3f1h n ASN 143 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3f1h n ARG 144 N -0.26 2.15 0.04 3.52 5.12 -1.26 -4.57 116.66 121.40 3f1h n ARG 144 Ca 0.01 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.13 3f1h n ARG 144 Cb 0.21 0.00 0.58 0.00 -1.16 0.00 0.00 32.46 32.09 3f1h n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3f1h h LYS 145 N 0.00 0.00 -4.46 5.56 1.57 -2.02 -3.05 116.57 114.17 3f1h h LYS 145 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3f1h h LYS 145 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 31.96 3f1h h LYS 145 CO 0.00 0.00 -0.81 0.95 -0.57 0.00 0.00 179.45 179.02 3f1h s THR 146 N -4.42 1.15 0.34 -0.16 -4.23 -1.26 -2.91 115.64 104.15 3f1h s THR 146 Ca -0.03 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 3f1h s THR 146 Cb 0.13 -1.09 0.14 0.00 1.34 0.00 0.00 72.50 73.01 3f1h s THR 146 CO 0.43 0.37 1.85 1.55 -0.54 0.00 0.00 174.62 178.28 3f1h h PRO 147 N 7.49 0.38 0.00 3.99 0.13 -1.86 -3.44 132.00 138.68 3f1h h PRO 147 Ca -0.31 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3f1h h PRO 147 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3f1h h PRO 147 CO 0.46 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 3f1h n GLY 148 N -0.75 0.58 0.00 1.56 0.00 -1.15 -5.02 105.19 100.41 3f1h n GLY 148 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3f1h n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1h n ARG 149 N -2.70 0.00 -3.81 1.61 1.85 -1.26 -5.05 116.66 107.30 3f1h n ARG 149 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 3f1h n ARG 149 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 3f1h n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f1h s VAL 150 N -2.34 -0.03 0.29 8.89 1.01 -1.26 -4.76 120.40 122.19 3f1h s VAL 150 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3f1h s VAL 150 Cb 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 36.38 36.19 3f1h s VAL 150 CO 0.00 0.05 1.59 -1.22 0.00 0.00 0.00 175.10 175.52 3f1h n TYR 151 N 3.68 2.84 -1.90 5.22 4.01 -1.26 -4.88 117.16 124.87 3f1h n TYR 151 Ca -0.21 0.26 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 3f1h n TYR 151 Cb 0.55 -2.59 -0.03 0.00 -0.31 0.00 0.00 39.34 36.95 3f1h n TYR 151 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3f1h s LYS 152 N -0.49 2.45 0.00 -0.72 1.02 -1.26 -1.73 119.74 119.01 3f1h s LYS 152 Ca 0.64 0.76 0.00 0.00 0.02 0.00 0.00 55.97 57.39 3f1h s LYS 152 Cb -0.50 -4.49 0.00 0.00 -0.52 0.00 0.00 37.83 32.32 3f1h s LYS 152 CO 0.48 -2.97 0.00 0.41 -0.92 0.00 0.00 175.35 172.36 3f1h n GLY 153 N 5.88 0.58 3.61 -3.33 0.00 -1.26 -5.11 105.19 105.57 3f1h n GLY 153 Ca 0.27 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.70 3f1h n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1h n LYS 154 N 0.00 0.49 -2.13 1.61 3.00 -0.71 -4.79 118.16 115.63 3f1h n LYS 154 Ca 0.00 0.18 -0.43 0.00 -0.00 0.00 0.00 58.31 58.06 3f1h n LYS 154 Cb 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.26 3f1h n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3f1h s LYS 155 N 1.39 3.70 0.04 1.64 1.02 -1.26 -4.96 119.74 121.31 3f1h s LYS 155 Ca 0.94 1.52 -0.01 0.00 0.02 0.00 0.00 55.97 58.44 3f1h s LYS 155 Cb -1.21 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 32.02 3f1h s LYS 155 CO 0.61 -1.41 -0.01 -1.64 -0.92 0.00 0.00 175.35 171.98 3f1h s MET 156 N 4.85 0.48 0.22 1.68 -1.94 -1.26 -5.08 119.30 118.24 3f1h s MET 156 Ca 0.71 -0.89 -0.32 0.00 -1.71 0.00 0.00 55.69 53.49 3f1h s MET 156 Cb -0.23 0.17 -0.13 0.00 2.01 0.00 0.00 34.83 36.65 3f1h s MET 156 CO 0.30 -0.09 1.46 0.00 -0.01 0.00 0.00 175.02 176.68 3f1h n ALA 157 N 0.85 1.22 -3.00 3.03 0.00 -1.26 -4.88 120.51 116.47 3f1h n ALA 157 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3f1h n ALA 157 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3f1h n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 158 N 2.46 1.38 3.71 0.00 0.00 -1.14 -4.92 105.19 106.68 3f1h n GLY 158 Ca 0.13 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3f1h n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f1h s HIS 159 N -4.99 2.65 -0.06 1.61 3.76 -1.26 -0.18 115.29 116.81 3f1h s HIS 159 Ca 0.00 0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 55.13 3f1h s HIS 159 Cb 0.00 -4.15 0.03 0.00 1.11 0.00 0.00 32.58 29.57 3f1h s HIS 159 CO 0.00 -4.48 -0.01 -0.47 -0.85 0.00 0.00 174.74 168.93 3f1h s TYR 160 N 1.72 0.68 0.00 1.40 6.04 -0.45 -4.88 117.35 121.85 3f1h s TYR 160 Ca 0.77 -0.18 0.00 0.00 0.04 0.00 0.00 57.07 57.70 3f1h s TYR 160 Cb -0.48 -0.76 0.00 0.00 -1.04 0.00 0.00 41.96 39.68 3f1h s TYR 160 CO 0.33 -0.29 0.00 0.41 -1.54 0.00 0.00 175.55 174.46 3f1h n GLY 161 N 4.87 -2.62 2.74 8.97 0.00 -1.26 -1.18 105.19 116.71 3f1h n GLY 161 Ca -0.12 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 3f1h n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h n ALA 162 N 0.20 -0.14 -1.98 4.61 0.00 -0.93 -4.69 120.51 117.58 3f1h n ALA 162 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 3f1h n ALA 162 Cb 0.00 -1.67 0.09 0.00 0.00 0.00 0.00 19.45 17.87 3f1h n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3f1h s GLU 163 N -2.73 1.91 0.05 0.00 -1.05 -1.26 -4.73 118.70 110.89 3f1h s GLU 163 Ca 0.00 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 53.62 3f1h s GLU 163 Cb 0.00 -2.34 -0.05 0.00 -0.44 0.00 0.00 34.13 31.30 3f1h s GLU 163 CO 0.00 -1.27 0.87 0.50 0.95 0.00 0.00 175.26 176.31 3f1h s ARG 164 N -5.08 4.58 -0.06 -4.83 3.52 -1.26 -1.56 118.95 114.27 3f1h s ARG 164 Ca 0.64 1.26 -0.00 0.00 -0.13 0.00 0.00 55.73 57.49 3f1h s ARG 164 Cb -0.07 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3f1h s ARG 164 CO 0.43 0.18 -0.01 0.08 -0.81 0.00 0.00 175.30 175.17 3f1h s VAL 165 N 0.23 0.37 -0.16 7.11 1.01 0.46 -4.92 120.40 124.51 3f1h s VAL 165 Ca 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3f1h s VAL 165 Cb -0.21 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3f1h s VAL 165 CO 0.26 0.23 -0.03 -0.89 0.00 0.00 0.00 175.10 174.67 3f1h s THR 166 N 1.52 3.93 -0.07 3.92 2.01 -1.26 -0.69 115.64 125.00 3f1h s THR 166 Ca -0.02 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3f1h s THR 166 Cb -0.13 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 3f1h s THR 166 CO -0.03 0.49 -0.09 0.54 -0.69 0.00 0.00 174.62 174.85 3f1h s VAL 167 N 0.34 3.53 0.14 3.82 0.11 0.13 -4.96 120.40 123.51 3f1h s VAL 167 Ca -0.04 -0.54 -0.04 0.00 -2.93 0.00 0.00 61.98 58.43 3f1h s VAL 167 Cb -0.14 -2.44 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 3f1h s VAL 167 CO 0.03 0.59 0.36 -0.04 -3.33 0.00 0.00 175.10 172.70 3f1h s MET 168 N -0.66 3.59 -1.32 1.54 1.00 -1.26 -1.56 119.30 120.62 3f1h s MET 168 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 55.69 55.56 3f1h s MET 168 Cb -0.11 -2.87 0.00 0.00 0.00 0.00 0.00 34.83 31.85 3f1h s MET 168 CO 0.02 0.48 0.53 -1.71 0.00 0.00 0.00 175.02 174.33 3f1h n ASN 169 N 0.04 -1.91 -4.79 3.03 4.05 -1.19 -4.93 115.26 109.55 3f1h n ASN 169 Ca -0.03 -1.04 -0.37 0.00 0.45 0.00 0.00 54.58 53.59 3f1h n ASN 169 Cb 0.52 -3.00 -0.06 0.00 1.23 0.00 0.00 39.78 38.47 3f1h n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3f1h s LEU 170 N -6.88 4.41 -0.01 1.20 1.43 0.58 -4.80 118.68 114.61 3f1h s LEU 170 Ca 0.17 1.61 -0.20 0.00 -1.03 0.00 0.00 54.13 54.68 3f1h s LEU 170 Cb -0.07 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3f1h s LEU 170 CO 0.89 0.05 0.57 -1.83 0.23 0.00 0.00 176.35 176.26 3f1h s GLU 171 N -1.79 4.29 -0.67 1.70 -1.05 -1.26 0.74 118.70 120.67 3f1h s GLU 171 Ca 0.43 0.69 -0.28 0.00 -0.15 0.00 0.00 54.97 55.67 3f1h s GLU 171 Cb -0.19 -3.34 0.03 0.00 -0.44 0.00 0.00 34.13 30.19 3f1h s GLU 171 CO 0.23 0.37 1.26 0.08 0.95 0.00 0.00 175.26 178.15 3f1h s VAL 172 N -0.18 3.84 -0.02 1.83 1.01 0.26 -3.12 120.40 124.01 3f1h s VAL 172 Ca 0.30 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 3f1h s VAL 172 Cb -0.18 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 3f1h s VAL 172 CO 0.16 -1.61 0.47 0.58 0.00 0.00 0.00 175.10 174.70 3f1h h VAL 173 N 6.11 0.00 -2.61 2.92 2.07 0.76 -0.17 116.25 125.33 3f1h h VAL 173 Ca -0.27 -0.36 -0.51 0.00 0.82 0.00 0.00 66.70 66.38 3f1h h VAL 173 Cb 1.06 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.68 3f1h h VAL 173 CO 1.24 0.00 -0.74 -0.62 0.02 0.00 0.00 177.57 177.47 3f1h s ASP 174 N -3.95 2.97 -0.19 0.57 3.68 -1.10 -4.40 116.67 114.24 3f1h s ASP 174 Ca -0.04 -1.03 -0.04 0.00 2.13 0.00 0.00 52.55 53.57 3f1h s ASP 174 Cb 0.00 -0.20 0.09 0.00 -1.45 0.00 0.00 42.92 41.37 3f1h s ASP 174 CO 0.12 -0.10 0.25 0.54 0.13 0.00 0.00 175.17 176.11 3f1h s VAL 175 N -2.80 -0.38 -0.77 1.11 0.11 -1.26 -0.51 120.40 115.89 3f1h s VAL 175 Ca 0.26 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 3f1h s VAL 175 Cb -0.02 -0.65 0.20 0.00 -1.53 0.00 0.00 36.38 34.38 3f1h s VAL 175 CO 0.10 -0.13 0.69 -0.63 -3.33 0.00 0.00 175.10 171.80 3f1h s ILE 176 N 2.37 5.28 0.53 7.04 1.09 -0.78 -4.90 121.20 131.84 3f1h s ILE 176 Ca 0.07 -2.47 0.21 0.00 -1.10 0.00 0.00 60.65 57.36 3f1h s ILE 176 Cb -0.15 -4.29 0.34 0.00 -1.06 0.00 0.00 42.46 37.29 3f1h s ILE 176 CO -0.12 -0.99 2.07 1.55 -0.10 0.00 0.00 174.94 177.35 3f1h h PRO 177 N 7.75 0.00 -0.80 2.79 0.13 -1.97 -2.02 132.00 137.89 3f1h h PRO 177 Ca 0.05 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.38 3f1h h PRO 177 Cb 1.03 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 3f1h h PRO 177 CO 0.77 0.00 0.14 0.93 -0.23 0.00 0.00 178.00 179.61 3f1h h GLU 178 N 0.00 0.19 0.00 0.86 3.07 -1.97 -3.12 114.58 113.61 3f1h h GLU 178 Ca 0.13 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3f1h h GLU 178 Cb 0.51 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3f1h h GLU 178 CO -0.00 0.12 -0.18 0.39 -1.40 0.00 0.00 179.01 177.94 3f1h n GLU 179 N -5.25 0.86 -2.71 2.33 1.02 -1.02 -5.04 120.64 110.83 3f1h n GLU 179 Ca 0.17 -1.48 -0.08 0.00 -0.02 0.00 0.00 57.16 55.74 3f1h n GLU 179 Cb 0.55 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 31.11 3f1h n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f1h n ASN 180 N -0.53 -5.48 -4.15 1.62 3.02 -0.79 -4.95 115.26 104.01 3f1h n ASN 180 Ca 0.05 -0.41 -0.30 0.00 -0.03 0.00 0.00 54.58 53.89 3f1h n ASN 180 Cb 0.58 -3.90 -0.17 0.00 -0.61 0.00 0.00 39.78 35.68 3f1h n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3f1h s LEU 181 N -4.43 1.96 -0.17 3.41 2.01 -1.06 -2.81 118.68 117.58 3f1h s LEU 181 Ca 0.26 -0.50 -0.08 0.00 0.01 0.00 0.00 54.13 53.82 3f1h s LEU 181 Cb -0.03 -1.26 -0.04 0.00 0.01 0.00 0.00 46.19 44.86 3f1h s LEU 181 CO 0.53 0.10 0.09 -0.22 1.01 0.00 0.00 176.35 177.86 3f1h s LEU 182 N 0.56 3.99 -0.34 1.79 2.96 0.30 -1.86 118.68 126.09 3f1h s LEU 182 Ca -0.15 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3f1h s LEU 182 Cb -0.17 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.57 3f1h s LEU 182 CO 0.05 0.22 0.09 -0.76 -1.32 0.00 0.00 176.35 174.63 3f1h s LEU 183 N 0.13 4.34 0.44 -0.68 1.02 0.33 -1.24 118.68 123.02 3f1h s LEU 183 Ca 0.06 -1.27 0.06 0.00 0.02 0.00 0.00 54.13 53.01 3f1h s LEU 183 Cb -0.12 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 3f1h s LEU 183 CO -0.00 -0.34 0.17 0.68 0.02 0.00 0.00 176.35 176.88 3f1h s VAL 184 N 1.34 2.09 0.00 -1.59 -7.23 -1.00 0.13 120.40 114.14 3f1h s VAL 184 Ca -0.02 -1.73 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3f1h s VAL 184 Cb -0.20 -2.82 -0.17 0.00 0.56 0.00 0.00 36.38 33.74 3f1h s VAL 184 CO 0.01 0.00 2.53 0.29 -0.31 0.00 0.00 175.10 177.62 3f1h n LYS 185 N -1.27 1.30 0.00 4.82 4.76 -1.18 -1.25 118.16 125.33 3f1h n LYS 185 Ca -0.03 -0.64 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3f1h n LYS 185 Cb 0.65 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 3f1h n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1h n GLY 186 N 2.65 1.10 3.57 0.72 0.00 -1.24 -4.77 105.19 107.22 3f1h n GLY 186 Ca 0.28 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 3f1h n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h s ALA 187 N 0.00 1.39 -0.03 4.61 0.00 -1.26 -4.37 121.76 122.10 3f1h s ALA 187 Ca 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.43 3f1h s ALA 187 Cb 0.00 -4.61 0.02 0.00 0.00 0.00 0.00 23.12 18.54 3f1h s ALA 187 CO 0.00 -5.35 -0.02 0.54 0.00 0.00 0.00 175.76 170.93 3f1h s VAL 188 N 11.92 0.35 1.43 0.00 0.11 -1.26 -4.95 120.40 128.00 3f1h s VAL 188 Ca 0.75 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.53 3f1h s VAL 188 Cb -0.06 -0.39 0.36 0.00 -1.53 0.00 0.00 36.38 34.76 3f1h s VAL 188 CO 0.06 0.17 0.83 -0.81 -3.33 0.00 0.00 175.10 172.03 3f1h n PRO 189 N 3.96 -4.62 -0.65 1.54 -0.04 -1.26 -4.90 135.00 129.02 3f1h n PRO 189 Ca -0.25 -1.37 0.08 0.00 -0.04 0.00 0.00 63.50 61.92 3f1h n PRO 189 Cb 0.51 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 3f1h n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1h n GLY 190 N 1.93 -2.68 3.98 0.55 0.00 -1.20 -4.79 105.19 102.98 3f1h n GLY 190 Ca 0.13 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 3f1h n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3f1h s PRO 191 N -3.17 2.69 0.64 1.61 0.04 -1.26 -4.78 135.00 130.77 3f1h s PRO 191 Ca 0.00 -0.91 -0.18 0.00 0.04 0.00 0.00 61.00 59.96 3f1h s PRO 191 Cb 0.00 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 3f1h s PRO 191 CO 0.00 -0.51 1.00 0.09 0.04 0.00 0.00 177.00 177.62 3f1h n ASN 192 N -2.14 0.84 0.00 6.66 5.03 -1.26 -1.74 115.26 122.64 3f1h n ASN 192 Ca 0.07 0.77 0.00 0.00 0.87 0.00 0.00 54.58 56.29 3f1h n ASN 192 Cb 0.59 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3f1h n ASN 192 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3f1h n GLY 193 N 1.21 0.31 3.89 7.41 0.00 0.28 -4.99 105.19 113.30 3f1h n GLY 193 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3f1h n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1h s GLY 194 N -2.00 1.93 0.48 -0.02 0.00 -0.71 -4.85 107.32 102.15 3f1h s GLY 194 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.09 3f1h s GLY 194 CO 0.00 -0.32 0.98 -2.27 0.00 0.00 0.00 173.10 171.50 3f1h s LEU 195 N -3.52 3.76 -0.29 0.66 0.20 -1.26 -0.88 118.68 117.34 3f1h s LEU 195 Ca 0.46 1.67 -0.16 0.00 0.69 0.00 0.00 54.13 56.79 3f1h s LEU 195 Cb -0.11 -4.53 0.13 0.00 -0.43 0.00 0.00 46.19 41.26 3f1h s LEU 195 CO 0.29 -0.56 0.90 0.54 -0.29 0.00 0.00 176.35 177.22 3f1h s VAL 196 N -2.38 -0.10 0.13 1.68 0.11 -0.43 -4.44 120.40 114.96 3f1h s VAL 196 Ca 0.61 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.64 3f1h s VAL 196 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 3f1h s VAL 196 CO 0.23 0.00 0.32 0.27 -3.33 0.00 0.00 175.10 172.59 3f1h s ILE 197 N 1.61 5.26 -0.01 7.04 -4.36 -1.00 -1.35 121.20 128.37 3f1h s ILE 197 Ca -0.08 -0.21 0.01 0.00 -0.26 0.00 0.00 60.65 60.10 3f1h s ILE 197 Cb -0.05 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.02 3f1h s ILE 197 CO -0.17 0.03 -0.04 -0.69 0.24 0.00 0.00 174.94 174.32 3f1h s VAL 198 N -1.65 0.33 0.30 8.37 1.01 -0.68 -1.05 120.40 127.03 3f1h s VAL 198 Ca 0.38 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 3f1h s VAL 198 Cb -0.12 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3f1h s VAL 198 CO 0.27 0.12 0.57 0.00 0.00 0.00 0.00 175.10 176.05 3f1h s ARG 199 N 0.20 1.79 0.71 2.72 1.70 -0.54 -1.29 118.95 124.23 3f1h s ARG 199 Ca -0.02 -1.37 -0.16 0.00 -0.47 0.00 0.00 55.73 53.71 3f1h s ARG 199 Cb -0.05 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3f1h s ARG 199 CO -0.00 -0.78 1.24 -2.00 -1.08 0.00 0.00 175.30 172.68 3f1h s GLU 200 N -3.46 2.25 0.10 3.89 2.12 -1.15 -0.54 118.70 121.91 3f1h s GLU 200 Ca 0.22 1.88 -0.01 0.00 0.36 0.00 0.00 54.97 57.42 3f1h s GLU 200 Cb -0.02 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.56 3f1h s GLU 200 CO 0.12 -1.78 0.14 2.41 -0.54 0.00 0.00 175.26 175.60 3f1h n THR 201 N -2.45 0.00 -3.05 -1.70 -1.04 -1.18 -4.13 114.28 100.72 3f1h n THR 201 Ca 0.14 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.76 3f1h n THR 201 Cb 0.49 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 3f1h n THR 201 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3f1h n LYS 202 N -1.26 2.18 0.21 -2.82 4.01 -1.26 -4.75 118.16 114.46 3f1h n LYS 202 Ca 0.02 -4.16 0.06 0.00 -0.51 0.00 0.00 58.31 53.72 3f1h n LYS 202 Cb 0.07 -1.99 0.46 0.00 -0.51 0.00 0.00 35.03 33.06 3f1h n LYS 202 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3f1h h LYS 203 N 2.99 0.00 0.00 1.97 1.63 -1.98 -3.51 116.57 117.67 3f1h h LYS 203 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3f1h h LYS 203 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3f1h h LYS 203 CO 0.67 0.29 0.00 0.00 -3.45 0.00 0.00 179.45 176.96