#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s LYS 2 N 0.00 2.48 -0.23 2.12 1.02 -1.26 -4.44 119.74 119.43 3f1f s LYS 2 Ca 0.00 1.28 -0.28 0.00 0.02 0.00 0.00 55.97 56.99 3f1f s LYS 2 Cb 0.00 -1.92 0.15 0.00 -0.52 0.00 0.00 37.83 35.54 3f1f s LYS 2 CO 0.00 -1.48 1.13 0.20 -0.92 0.00 0.00 175.35 174.28 3f1f s GLY 3 N -3.01 -0.09 -0.28 -3.33 0.00 -1.26 -2.94 107.32 96.40 3f1f s GLY 3 Ca 0.64 2.54 -0.23 0.00 0.00 0.00 0.00 44.72 47.67 3f1f s GLY 3 CO 0.49 1.38 0.91 -1.50 0.00 0.00 0.00 173.10 174.39 3f1f s ILE 4 N -0.58 0.00 0.68 0.90 1.10 -0.46 -4.99 121.20 117.84 3f1f s ILE 4 Ca 0.03 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.06 3f1f s ILE 4 Cb -0.02 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.59 3f1f s ILE 4 CO -0.04 0.00 1.07 -0.76 -2.11 0.00 0.00 174.94 173.10 3f1f s LEU 5 N 0.57 2.99 0.00 8.50 1.43 -1.26 -1.73 118.68 129.19 3f1f s LEU 5 Ca -0.01 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.08 3f1f s LEU 5 Cb -0.05 -4.00 0.06 0.00 0.03 0.00 0.00 46.19 42.23 3f1f s LEU 5 CO -0.07 -1.23 0.78 0.61 0.23 0.00 0.00 176.35 176.67 3f1f n GLY 6 N -2.92 0.64 2.85 -3.19 0.00 -0.34 -4.05 105.19 98.18 3f1f n GLY 6 Ca 0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3f1f n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1f s VAL 7 N -2.16 0.05 -0.15 1.61 -7.23 -1.03 -1.46 120.40 110.04 3f1f s VAL 7 Ca 0.18 0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 60.10 3f1f s VAL 7 Cb -0.01 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.80 3f1f s VAL 7 CO 0.02 0.05 1.43 -0.75 -0.31 0.00 0.00 175.10 175.55 3f1f s LYS 8 N 0.38 4.13 -0.10 4.82 2.20 0.02 -1.64 119.74 129.56 3f1f s LYS 8 Ca -0.03 1.79 0.06 0.00 -0.36 0.00 0.00 55.97 57.43 3f1f s LYS 8 Cb -0.05 -3.88 -0.24 0.00 -1.51 0.00 0.00 37.83 32.15 3f1f s LYS 8 CO -0.01 -0.86 0.45 1.33 -0.36 0.00 0.00 175.35 175.90 3f1f n VAL 9 N 5.61 1.64 -0.49 4.02 0.24 -0.65 0.13 118.33 128.83 3f1f n VAL 9 Ca 0.16 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3f1f n VAL 9 Cb 0.44 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 3f1f n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1f n GLY 10 N 1.76 -0.73 3.30 7.63 0.00 -1.25 -4.51 105.19 111.39 3f1f n GLY 10 Ca -0.25 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3f1f n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3f1f s MET 11 N -1.62 0.53 0.00 1.61 0.23 -1.26 -0.69 119.30 118.10 3f1f s MET 11 Ca 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 55.69 55.09 3f1f s MET 11 Cb 0.00 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 3f1f s MET 11 CO 0.00 -0.09 0.00 0.25 -2.03 0.00 0.00 175.02 173.15 3f1f n THR 12 N 2.52 0.00 -4.01 3.16 -2.24 -0.68 -4.97 114.28 108.06 3f1f n THR 12 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3f1f n THR 12 Cb 0.57 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 3f1f n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1f s ARG 13 N 2.54 0.40 0.21 -0.78 1.70 -1.26 0.46 118.95 122.21 3f1f s ARG 13 Ca 0.00 -0.76 0.04 0.00 -0.47 0.00 0.00 55.73 54.54 3f1f s ARG 13 Cb 0.00 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 3f1f s ARG 13 CO 0.00 -0.06 -0.03 0.96 -1.08 0.00 0.00 175.30 175.10 3f1f s ILE 14 N -2.02 1.06 -0.32 4.99 -5.25 -0.49 -4.93 121.20 114.24 3f1f s ILE 14 Ca -0.10 -2.04 -0.07 0.00 -0.99 0.00 0.00 60.65 57.45 3f1f s ILE 14 Cb -0.06 -2.22 0.02 0.00 2.95 0.00 0.00 42.46 43.16 3f1f s ILE 14 CO -0.03 -0.43 0.09 -0.36 -1.79 0.00 0.00 174.94 172.43 3f1f s PHE 15 N -3.40 3.20 -0.11 1.37 0.08 -1.26 0.13 117.98 117.98 3f1f s PHE 15 Ca 0.25 -1.17 -0.30 0.00 0.12 0.00 0.00 56.93 55.84 3f1f s PHE 15 Cb 0.05 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3f1f s PHE 15 CO 0.07 -0.65 1.06 0.50 -0.10 0.00 0.00 175.22 176.10 3f1f s ARG 16 N 1.46 4.39 0.39 0.44 6.06 -0.83 -4.74 118.95 126.12 3f1f s ARG 16 Ca 0.01 1.46 0.00 0.00 -2.50 0.00 0.00 55.73 54.70 3f1f s ARG 16 Cb -0.18 -3.56 0.00 0.00 0.06 0.00 0.00 34.95 31.27 3f1f s ARG 16 CO 0.03 -0.39 0.00 -0.40 -2.50 0.00 0.00 175.30 172.04 3f1f n ASP 17 N 5.22 0.00 -2.77 -2.12 5.75 -1.26 -0.62 116.55 120.75 3f1f n ASP 17 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.78 3f1f n ASP 17 Cb 0.48 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.61 3f1f n ASP 17 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3f1f n ASP 18 N 1.23 0.16 -3.45 -1.12 8.00 -1.26 -5.07 116.55 115.04 3f1f n ASP 18 Ca 0.00 -2.80 0.01 0.00 0.71 0.00 0.00 54.79 52.71 3f1f n ASP 18 Cb 0.00 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3f1f n ASP 18 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3f1f s ARG 19 N -1.87 0.47 0.41 -1.24 3.52 0.21 -5.17 118.95 115.28 3f1f s ARG 19 Ca 0.28 1.10 -0.26 0.00 -0.13 0.00 0.00 55.73 56.72 3f1f s ARG 19 Cb 0.41 0.65 -0.08 0.00 -1.56 0.00 0.00 34.95 34.37 3f1f s ARG 19 CO -0.02 -0.25 1.26 0.00 -0.81 0.00 0.00 175.30 175.47 3f1f s ALA 20 N 2.77 3.21 -0.16 6.12 0.00 -1.26 -1.96 121.76 130.48 3f1f s ALA 20 Ca 0.00 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 3f1f s ALA 20 Cb -0.11 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3f1f s ALA 20 CO -0.18 -0.74 0.03 0.08 0.00 0.00 0.00 175.76 174.95 3f1f s VAL 21 N -1.31 0.42 0.16 0.00 1.01 0.34 -4.88 120.40 116.14 3f1f s VAL 21 Ca 0.57 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3f1f s VAL 21 Cb -0.36 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 3f1f s VAL 21 CO 0.45 -0.11 1.27 -2.16 0.00 0.00 0.00 175.10 174.56 3f1f s PRO 22 N 1.92 4.42 -0.09 2.72 0.04 -1.26 -1.40 135.00 141.34 3f1f s PRO 22 Ca 0.01 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 3f1f s PRO 22 Cb -0.16 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.17 3f1f s PRO 22 CO -0.07 -0.23 0.29 0.14 0.04 0.00 0.00 177.00 177.17 3f1f s VAL 23 N 0.35 0.01 -0.11 -0.36 -7.23 0.17 -3.57 120.40 109.67 3f1f s VAL 23 Ca 0.57 -0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.56 3f1f s VAL 23 Cb -0.34 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 3f1f s VAL 23 CO 0.35 -0.05 0.20 0.28 -0.31 0.00 0.00 175.10 175.57 3f1f s THR 24 N -0.10 5.40 -0.77 5.32 -1.32 -0.35 -1.68 115.64 122.14 3f1f s THR 24 Ca -0.02 0.34 -0.17 0.00 -1.21 0.00 0.00 61.69 60.63 3f1f s THR 24 Cb -0.03 -3.48 0.15 0.00 -1.51 0.00 0.00 72.50 67.64 3f1f s THR 24 CO 0.01 0.58 0.84 -0.69 -2.21 0.00 0.00 174.62 173.15 3f1f s VAL 25 N -0.79 5.10 0.60 5.08 1.01 0.13 -2.38 120.40 129.15 3f1f s VAL 25 Ca 0.16 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 3f1f s VAL 25 Cb -0.13 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3f1f s VAL 25 CO 0.05 -1.19 1.05 -0.63 0.00 0.00 0.00 175.10 174.38 3f1f s ILE 26 N 1.72 3.98 -0.39 2.22 -1.09 -0.39 -1.63 121.20 125.62 3f1f s ILE 26 Ca 0.19 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 3f1f s ILE 26 Cb -0.14 -3.45 0.12 0.00 -1.58 0.00 0.00 42.46 37.41 3f1f s ILE 26 CO -0.04 -0.61 0.16 -0.22 -1.23 0.00 0.00 174.94 173.00 3f1f s LEU 27 N -4.62 3.26 -0.91 2.97 0.20 -0.65 -0.32 118.68 118.60 3f1f s LEU 27 Ca 0.62 -2.29 -0.07 0.00 0.69 0.00 0.00 54.13 53.07 3f1f s LEU 27 Cb -0.15 -1.21 -0.10 0.00 -0.43 0.00 0.00 46.19 44.31 3f1f s LEU 27 CO 0.39 -0.33 3.08 0.00 -0.29 0.00 0.00 176.35 179.20 3f1f n ALA 28 N 4.02 6.94 -1.19 5.97 0.00 -1.14 -2.46 120.51 132.65 3f1f n ALA 28 Ca 0.04 -2.99 -0.37 0.00 0.00 0.00 0.00 53.44 50.12 3f1f n ALA 28 Cb 0.38 -2.79 0.05 0.00 0.00 0.00 0.00 19.45 17.09 3f1f n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 29 N 2.63 -2.56 3.55 0.00 0.00 -1.26 -4.15 105.19 103.40 3f1f n GLY 29 Ca 0.61 -0.42 -0.54 0.00 0.00 0.00 0.00 46.02 45.67 3f1f n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1f n PRO 30 N 0.40 0.70 -3.85 1.61 -0.02 -1.26 -4.83 135.00 127.75 3f1f n PRO 30 Ca 0.07 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.52 3f1f n PRO 30 Cb 0.50 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 3f1f n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1f s PRO 32 N 1.66 4.19 -0.01 0.00 0.02 -1.24 -2.19 135.00 137.42 3f1f s PRO 32 Ca -0.01 0.99 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 3f1f s PRO 32 Cb -0.16 -3.65 -0.09 0.00 0.02 0.00 0.00 34.50 30.63 3f1f s PRO 32 CO -0.07 -0.54 2.02 1.55 -0.33 0.00 0.00 177.00 179.63 3f1f n VAL 33 N 5.27 0.69 0.05 3.83 3.14 -0.85 -1.94 118.33 128.52 3f1f n VAL 33 Ca 0.06 -0.19 0.11 0.00 -2.96 0.00 0.00 64.34 61.36 3f1f n VAL 33 Cb 0.47 -2.34 -0.16 0.00 -1.06 0.00 0.00 33.84 30.76 3f1f n VAL 33 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3f1f n VAL 34 N 5.91 0.03 -3.64 1.55 0.31 0.25 -4.93 118.33 117.81 3f1f n VAL 34 Ca 0.22 -0.48 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 3f1f n VAL 34 Cb 0.41 0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 3f1f n VAL 34 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3f1f s GLN 35 N -3.49 0.48 0.10 5.55 0.74 -1.17 -4.82 119.66 117.05 3f1f s GLN 35 Ca -0.07 0.58 -0.07 0.00 0.05 0.00 0.00 55.36 55.86 3f1f s GLN 35 Cb 0.14 0.23 -0.05 0.00 1.10 0.00 0.00 33.01 34.42 3f1f s GLN 35 CO 0.90 -0.06 0.36 1.03 -0.55 0.00 0.00 175.29 176.97 3f1f s ARG 36 N 0.27 3.65 -0.31 1.67 0.52 -1.26 0.40 118.95 123.90 3f1f s ARG 36 Ca 0.03 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 3f1f s ARG 36 Cb -0.05 -2.94 0.09 0.00 0.52 0.00 0.00 34.95 32.56 3f1f s ARG 36 CO -0.07 0.53 -0.00 1.03 0.02 0.00 0.00 175.30 176.81 3f1f s ARG 37 N -2.25 1.68 0.20 3.54 1.81 0.93 -4.95 118.95 119.92 3f1f s ARG 37 Ca 0.36 -1.63 0.08 0.00 -1.72 0.00 0.00 55.73 52.81 3f1f s ARG 37 Cb -0.13 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.31 3f1f s ARG 37 CO 0.21 -0.81 0.04 0.95 -0.68 0.00 0.00 175.30 175.01 3f1f s THR 38 N 1.02 3.84 0.51 0.02 -4.23 -1.18 -0.83 115.64 114.80 3f1f s THR 38 Ca 0.04 -1.50 0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3f1f s THR 38 Cb -0.19 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.96 3f1f s THR 38 CO -0.08 -0.20 2.15 1.55 -0.54 0.00 0.00 174.62 177.50 3f1f h PRO 39 N 2.32 0.00 -0.93 3.99 0.13 -1.83 0.63 132.00 136.32 3f1f h PRO 39 Ca -0.47 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.84 3f1f h PRO 39 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 3f1f h PRO 39 CO 0.59 0.06 0.51 0.93 -0.23 0.00 0.00 178.00 179.87 3f1f h GLU 40 N 0.00 0.64 0.00 0.86 5.08 -1.94 -3.10 114.58 116.12 3f1f h GLU 40 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3f1f h GLU 40 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3f1f h GLU 40 CO 0.01 0.42 -0.36 0.36 -1.00 0.00 0.00 179.01 178.44 3f1f n LYS 41 N -4.85 0.00 0.00 2.33 -0.00 -1.10 -4.86 118.16 109.69 3f1f n LYS 41 Ca 0.21 -0.75 0.00 0.00 -0.00 0.00 0.00 58.31 57.76 3f1f n LYS 41 Cb 0.53 -0.39 0.00 0.00 -0.00 0.00 0.00 35.03 35.17 3f1f n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3f1f n ASP 42 N 0.00 1.18 0.00 -5.58 8.00 0.20 -4.96 116.55 115.39 3f1f n ASP 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3f1f n ASP 42 Cb 0.65 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 3f1f n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f1f n GLY 43 N 0.99 2.05 3.35 0.44 0.00 -1.15 -4.93 105.19 105.95 3f1f n GLY 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3f1f n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3f1f s TYR 44 N -2.35 0.44 -0.17 1.61 1.13 -1.26 -4.70 117.35 112.05 3f1f s TYR 44 Ca 0.00 -0.79 -0.05 0.00 -1.41 0.00 0.00 57.07 54.82 3f1f s TYR 44 Cb 0.00 -0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.76 3f1f s TYR 44 CO 0.00 -0.74 0.01 0.95 -2.51 0.00 0.00 175.55 173.26 3f1f s THR 45 N -3.98 4.30 0.05 -3.49 -4.23 -1.22 -3.09 115.64 103.97 3f1f s THR 45 Ca 0.19 -0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.22 3f1f s THR 45 Cb 0.03 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 71.06 3f1f s THR 45 CO 0.01 0.48 1.21 0.00 -0.54 0.00 0.00 174.62 175.78 3f1f s ALA 46 N 0.33 -2.17 -0.05 3.99 0.00 -0.01 0.92 121.76 124.77 3f1f s ALA 46 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 3f1f s ALA 46 Cb -0.13 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.81 3f1f s ALA 46 CO 0.02 -1.11 0.03 0.08 0.00 0.00 0.00 175.76 174.77 3f1f s VAL 47 N -2.13 0.15 -0.79 0.00 1.01 -0.62 -0.05 120.40 117.98 3f1f s VAL 47 Ca 0.25 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 3f1f s VAL 47 Cb -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3f1f s VAL 47 CO 0.01 0.22 1.54 -1.58 0.00 0.00 0.00 175.10 175.29 3f1f s GLN 48 N 2.00 3.05 0.21 2.72 0.74 0.16 -2.12 119.66 126.42 3f1f s GLN 48 Ca 0.04 -0.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 3f1f s GLN 48 Cb -0.12 -4.59 -0.08 0.00 1.10 0.00 0.00 33.01 29.32 3f1f s GLN 48 CO -0.04 -2.46 0.93 -0.51 -0.55 0.00 0.00 175.29 172.66 3f1f s LEU 49 N 6.96 4.61 0.39 3.68 2.01 -0.98 0.87 118.68 136.22 3f1f s LEU 49 Ca 0.50 1.89 0.06 0.00 0.01 0.00 0.00 54.13 56.58 3f1f s LEU 49 Cb -0.07 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.55 3f1f s LEU 49 CO 0.09 0.12 0.54 -0.83 1.01 0.00 0.00 176.35 177.28 3f1f s GLY 50 N -0.94 1.71 -0.28 -3.19 0.00 -0.82 -2.19 107.32 101.62 3f1f s GLY 50 Ca 0.42 -1.47 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 3f1f s GLY 50 CO 0.31 -1.34 0.81 -0.12 0.00 0.00 0.00 173.10 172.76 3f1f s PHE 51 N -2.30 -0.83 0.12 1.90 5.36 0.54 -3.71 117.98 119.06 3f1f s PHE 51 Ca 0.49 1.74 0.00 0.00 -0.96 0.00 0.00 56.93 58.20 3f1f s PHE 51 Cb -0.10 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 3f1f s PHE 51 CO 0.33 -0.41 0.00 1.28 -1.46 0.00 0.00 175.22 174.96 3f1f n LEU 52 N 3.62 -3.85 -4.68 6.12 4.77 -1.26 -2.34 117.00 119.38 3f1f n LEU 52 Ca -0.18 1.43 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 3f1f n LEU 52 Cb 0.58 -1.50 0.15 0.00 -2.33 0.00 0.00 43.42 40.32 3f1f n LEU 52 CO 0.00 -0.58 0.66 -2.16 -1.33 0.00 0.00 177.39 173.98 3f1f s PRO 53 N -2.45 1.08 -0.13 3.23 0.04 -1.26 0.13 135.00 135.64 3f1f s PRO 53 Ca 0.00 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 3f1f s PRO 53 Cb 0.00 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.82 3f1f s PRO 53 CO 0.00 -2.45 0.35 -1.14 0.04 0.00 0.00 177.00 173.79 3f1f s GLN 54 N -4.77 0.38 0.02 4.56 -0.44 -0.64 -4.18 119.66 114.58 3f1f s GLN 54 Ca 0.65 0.55 -0.30 0.00 -2.50 0.00 0.00 55.36 53.75 3f1f s GLN 54 Cb -0.20 0.11 -0.05 0.00 -1.64 0.00 0.00 33.01 31.23 3f1f s GLN 54 CO 0.58 -0.08 1.28 -0.80 0.50 0.00 0.00 175.29 176.77 3f1f s ASN 55 N 0.56 6.98 0.00 6.67 0.01 -1.26 -4.77 114.94 123.13 3f1f s ASN 55 Ca -0.03 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 3f1f s ASN 55 Cb -0.05 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3f1f s ASN 55 CO -0.03 -0.59 0.28 -2.65 -1.51 0.00 0.00 177.10 172.59 3f1f n PRO 56 N 4.72 0.00 0.08 -0.60 -0.02 -1.26 -2.45 135.00 135.47 3f1f n PRO 56 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 3f1f n PRO 56 Cb 0.45 -1.37 0.07 0.00 -0.02 0.00 0.00 33.50 32.63 3f1f n PRO 56 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3f1f h LYS 57 N 0.00 0.23 0.00 -0.52 5.09 -2.02 -3.21 116.57 116.15 3f1f h LYS 57 Ca 0.00 -0.19 -0.32 0.00 0.09 0.00 0.00 60.65 60.23 3f1f h LYS 57 Cb 0.00 0.04 -0.06 0.00 0.10 0.00 0.00 32.23 32.31 3f1f h LYS 57 CO 0.00 0.84 -2.09 -2.13 -2.09 0.00 0.00 179.45 173.98 3f1f n ARG 58 N -3.80 0.66 0.00 0.07 3.00 -1.02 -4.10 116.66 111.47 3f1f n ARG 58 Ca -0.03 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3f1f n ARG 58 Cb 0.68 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3f1f n ARG 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3f1f n VAL 59 N -2.85 0.00 -0.47 5.15 0.31 -1.22 -3.60 118.33 115.66 3f1f n VAL 59 Ca -0.25 0.00 0.40 0.00 -0.01 0.00 0.00 64.34 64.48 3f1f n VAL 59 Cb 1.09 -0.25 0.74 0.00 -0.91 0.00 0.00 33.84 34.51 3f1f n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3f1f h ASN 60 N 0.00 0.07 -3.00 4.52 -0.00 -1.70 -3.34 115.58 112.13 3f1f h ASN 60 Ca 0.00 0.03 -0.58 0.00 -0.00 0.00 0.00 56.30 55.74 3f1f h ASN 60 Cb 0.00 0.02 0.15 0.00 -0.00 0.00 0.00 38.32 38.49 3f1f h ASN 60 CO 0.00 -0.02 -0.13 0.54 -0.00 0.00 0.00 177.43 177.82 3f1f n ARG 61 N -4.21 0.83 0.00 6.67 1.74 -1.24 -4.73 116.66 115.72 3f1f n ARG 61 Ca 0.33 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3f1f n ARG 61 Cb 1.49 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 3f1f n ARG 61 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3f1f n PRO 62 N -0.08 0.00 -0.23 5.56 -0.02 -1.26 -1.70 135.00 137.27 3f1f n PRO 62 Ca 0.11 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.84 3f1f n PRO 62 Cb 0.44 -1.28 0.62 0.00 -0.02 0.00 0.00 33.50 33.25 3f1f n PRO 62 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3f1f h LEU 63 N 0.00 0.21 -1.56 2.45 3.38 -1.85 1.11 115.31 119.05 3f1f h LEU 63 Ca 0.00 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.27 3f1f h LEU 63 Cb 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3f1f h LEU 63 CO 0.00 0.07 0.69 0.50 0.09 0.00 0.00 178.44 179.79 3f1f h LYS 64 N 0.20 0.27 -0.03 1.13 1.63 -1.46 0.85 116.57 119.16 3f1f h LYS 64 Ca 0.47 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 60.09 3f1f h LYS 64 Cb 1.51 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.06 3f1f h LYS 64 CO -0.11 0.18 -0.70 0.78 -3.45 0.00 0.00 179.45 176.15 3f1f h GLY 65 N 0.28 0.20 0.68 5.01 0.00 0.10 0.30 103.07 109.64 3f1f h GLY 65 Ca 0.56 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3f1f h GLY 65 CO -0.20 0.25 -0.08 0.84 0.00 0.00 0.00 176.54 177.35 3f1f h HIS 66 N 0.12 0.28 -0.16 5.60 -0.00 0.70 -1.14 115.15 120.55 3f1f h HIS 66 Ca -0.02 -0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 3f1f h HIS 66 Cb 1.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 3f1f h HIS 66 CO 0.02 0.64 -0.18 0.74 -0.00 0.00 0.00 177.93 179.14 3f1f h PHE 67 N -0.16 0.29 -0.46 5.26 0.05 -0.75 -2.81 116.94 118.36 3f1f h PHE 67 Ca 0.02 -0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.68 3f1f h PHE 67 Cb 0.58 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 38.44 3f1f h PHE 67 CO 0.08 0.45 -0.05 0.00 -0.18 0.00 0.00 178.31 178.61 3f1f h ALA 68 N 1.56 0.63 0.00 2.45 0.00 -0.30 -0.88 119.26 122.72 3f1f h ALA 68 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f1f h ALA 68 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3f1f h ALA 68 CO 0.03 0.47 0.00 1.17 0.00 0.00 0.00 179.25 180.92 3f1f n LYS 69 N -4.31 0.44 0.00 0.00 0.00 -0.44 -1.30 118.16 112.55 3f1f n LYS 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3f1f n LYS 69 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.30 3f1f n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f1f n ALA 70 N -0.57 0.49 -2.39 3.14 0.00 -1.06 -5.03 120.51 115.10 3f1f n ALA 70 Ca 0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3f1f n ALA 70 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 3f1f n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 71 N 0.00 -0.45 3.91 0.00 0.00 -0.42 -4.98 105.19 103.25 3f1f n GLY 71 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3f1f n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 72 N -3.04 5.21 -0.02 1.61 1.01 -0.62 -5.02 120.40 119.53 3f1f s VAL 72 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3f1f s VAL 72 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3f1f s VAL 72 CO 0.00 -0.00 1.64 -0.70 0.00 0.00 0.00 175.10 176.04 3f1f s GLU 73 N -2.92 4.19 -0.29 2.72 2.56 -1.26 -4.65 118.70 119.06 3f1f s GLU 73 Ca 0.34 2.21 -0.35 0.00 0.00 0.00 0.00 54.97 57.17 3f1f s GLU 73 Cb -0.12 -3.88 -0.11 0.00 2.00 0.00 0.00 34.13 32.02 3f1f s GLU 73 CO 0.27 -0.80 2.11 -0.35 -0.56 0.00 0.00 175.26 175.93 3f1f n PRO 74 N 6.71 1.36 -1.54 4.30 -0.04 -1.26 -4.91 135.00 139.61 3f1f n PRO 74 Ca 0.17 0.41 -0.15 0.00 -0.04 0.00 0.00 63.50 63.88 3f1f n PRO 74 Cb 0.42 -2.56 0.09 0.00 -0.04 0.00 0.00 33.50 31.41 3f1f n PRO 74 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3f1f n VAL 75 N 6.76 0.00 -0.12 0.52 0.24 -1.26 -1.61 118.33 122.86 3f1f n VAL 75 Ca 0.36 -0.81 -0.16 0.00 -2.04 0.00 0.00 64.34 61.69 3f1f n VAL 75 Cb 0.26 -1.31 -0.13 0.00 -1.47 0.00 0.00 33.84 31.19 3f1f n VAL 75 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3f1f n ARG 76 N -2.30 0.66 -3.87 7.34 0.63 0.35 -4.53 116.66 114.94 3f1f n ARG 76 Ca 0.10 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 57.02 3f1f n ARG 76 Cb 0.35 -1.52 -0.14 0.00 0.45 0.00 0.00 32.46 31.60 3f1f n ARG 76 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3f1f s ILE 77 N -2.51 0.01 -0.12 5.15 1.01 -0.99 -5.03 121.20 118.72 3f1f s ILE 77 Ca -0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3f1f s ILE 77 Cb 0.08 -0.02 0.05 0.00 0.01 0.00 0.00 42.46 42.58 3f1f s ILE 77 CO 0.66 -0.02 0.27 -1.48 0.00 0.00 0.00 174.94 174.38 3f1f s LEU 78 N -0.05 0.28 0.08 2.97 2.34 -1.26 -0.34 118.68 122.70 3f1f s LEU 78 Ca -0.01 0.58 0.01 0.00 0.06 0.00 0.00 54.13 54.77 3f1f s LEU 78 Cb -0.00 0.81 -0.04 0.00 -0.56 0.00 0.00 46.19 46.40 3f1f s LEU 78 CO -0.00 -0.18 -0.06 -0.13 -1.06 0.00 0.00 176.35 174.93 3f1f s ARG 79 N 1.39 0.74 -0.08 1.48 3.00 -0.93 -4.97 118.95 119.59 3f1f s ARG 79 Ca -0.08 -1.26 -0.14 0.00 0.00 0.00 0.00 55.73 54.25 3f1f s ARG 79 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 34.95 34.71 3f1f s ARG 79 CO -0.09 -0.04 0.35 -1.21 0.00 0.00 0.00 175.30 174.31 3f1f s GLU 80 N -3.68 4.04 -0.18 3.54 2.02 -1.26 -2.32 118.70 120.85 3f1f s GLU 80 Ca 0.09 0.26 -0.16 0.00 0.02 0.00 0.00 54.97 55.17 3f1f s GLU 80 Cb 0.05 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3f1f s GLU 80 CO -0.06 0.48 0.40 0.42 0.02 0.00 0.00 175.26 176.52 3f1f s ILE 81 N -0.32 5.21 0.35 -1.63 -1.09 -0.90 -4.92 121.20 117.90 3f1f s ILE 81 Ca 0.21 0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 59.17 3f1f s ILE 81 Cb -0.15 -3.73 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 3f1f s ILE 81 CO 0.09 0.28 0.82 -0.60 -1.23 0.00 0.00 174.94 174.30 3f1f s ARG 82 N 1.10 4.15 -1.38 2.79 6.06 -1.26 -1.59 118.95 128.82 3f1f s ARG 82 Ca 0.20 0.89 -0.07 0.00 -2.50 0.00 0.00 55.73 54.25 3f1f s ARG 82 Cb -0.15 -2.43 0.04 0.00 0.06 0.00 0.00 34.95 32.48 3f1f s ARG 82 CO 0.08 0.13 0.52 -0.25 -2.50 0.00 0.00 175.30 173.28 3f1f n ASP 83 N -0.26 -4.67 -3.61 -2.12 8.00 0.26 -4.90 116.55 109.25 3f1f n ASP 83 Ca 0.04 -0.33 -0.29 0.00 0.71 0.00 0.00 54.79 54.92 3f1f n ASP 83 Cb 0.53 -3.82 -0.14 0.00 -0.02 0.00 0.00 41.12 37.67 3f1f n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3f1f s PHE 84 N -3.02 1.05 -0.42 1.24 5.99 -1.26 -4.36 117.98 117.20 3f1f s PHE 84 Ca 0.35 -1.50 -0.10 0.00 0.00 0.00 0.00 56.93 55.67 3f1f s PHE 84 Cb -0.17 -1.28 0.07 0.00 0.00 0.00 0.00 43.02 41.63 3f1f s PHE 84 CO 0.43 -0.84 0.27 1.21 -0.00 0.00 0.00 175.22 176.29 3f1f s ASN 85 N 1.51 5.73 0.00 6.13 3.84 -1.26 -4.02 114.94 126.87 3f1f s ASN 85 Ca 0.12 -1.41 0.00 0.00 0.21 0.00 0.00 52.86 51.78 3f1f s ASN 85 Cb -0.19 -2.02 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 3f1f s ASN 85 CO -0.21 -0.54 0.00 -0.81 -2.79 0.00 0.00 177.10 172.76 3f1f n PRO 86 N 4.97 0.90 -4.39 0.43 -0.04 -1.26 -5.08 135.00 130.52 3f1f n PRO 86 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 3f1f n PRO 86 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 3f1f n PRO 86 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3f1f s GLU 87 N 0.00 1.46 0.00 0.54 4.04 -1.26 -5.04 118.70 118.44 3f1f s GLU 87 Ca 0.00 -1.66 -0.02 0.00 0.04 0.00 0.00 54.97 53.33 3f1f s GLU 87 Cb 0.00 -1.34 -0.07 0.00 0.02 0.00 0.00 34.13 32.74 3f1f s GLU 87 CO 0.00 0.22 1.34 0.41 -1.84 0.00 0.00 175.26 175.40 3f1f n GLY 88 N -0.47 1.55 0.00 -3.83 0.00 -1.26 -4.38 105.19 96.79 3f1f n GLY 88 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3f1f n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3f1f n ASP 89 N 2.69 0.00 -3.75 1.61 4.64 -1.26 -5.03 116.55 115.45 3f1f n ASP 89 Ca 0.11 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.40 3f1f n ASP 89 Cb 0.27 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.22 3f1f n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3f1f s THR 90 N 0.79 -0.02 0.26 5.18 2.01 -1.26 -2.00 115.64 120.59 3f1f s THR 90 Ca 0.00 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 3f1f s THR 90 Cb 0.00 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 3f1f s THR 90 CO 0.00 0.04 0.55 0.68 -0.69 0.00 0.00 174.62 175.20 3f1f s VAL 91 N 0.83 4.98 0.30 3.82 -7.23 -0.93 -4.97 120.40 117.20 3f1f s VAL 91 Ca -0.06 0.28 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 3f1f s VAL 91 Cb -0.07 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3f1f s VAL 91 CO -0.05 -0.20 0.15 0.42 -0.31 0.00 0.00 175.10 175.11 3f1f s THR 92 N -1.95 0.35 -0.06 5.32 -4.23 -1.26 -3.19 115.64 110.62 3f1f s THR 92 Ca 0.46 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.17 3f1f s THR 92 Cb -0.11 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.41 3f1f s THR 92 CO 0.26 0.00 1.58 -0.37 -0.54 0.00 0.00 174.62 175.55 3f1f h VAL 93 N 2.23 0.00 0.00 2.29 -1.51 -1.93 -2.53 116.25 114.80 3f1f h VAL 93 Ca -0.34 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 3f1f h VAL 93 Cb 1.25 0.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3f1f h VAL 93 CO 0.53 0.00 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.45 3f1f h GLU 94 N 0.00 0.00 -0.20 5.19 4.39 -1.95 -0.70 114.58 121.31 3f1f h GLU 94 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3f1f h GLU 94 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3f1f h GLU 94 CO 0.00 0.09 0.22 0.82 -1.16 0.00 0.00 179.01 178.97 3f1f h ILE 95 N 0.00 0.48 -3.18 3.13 2.04 -1.86 -3.39 117.51 114.73 3f1f h ILE 95 Ca -0.00 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.22 3f1f h ILE 95 Cb 0.20 0.83 -0.14 0.00 -0.74 0.00 0.00 36.82 36.96 3f1f h ILE 95 CO 0.01 0.00 -0.56 -0.36 0.00 0.00 0.00 178.15 177.24 3f1f s PHE 96 N -4.65 3.29 0.11 1.37 2.99 -0.27 -5.05 117.98 115.77 3f1f s PHE 96 Ca -0.05 0.18 0.07 0.00 0.00 0.00 0.00 56.93 57.13 3f1f s PHE 96 Cb 0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 43.02 41.15 3f1f s PHE 96 CO 0.55 0.33 -0.10 0.21 -0.00 0.00 0.00 175.22 176.21 3f1f s LYS 97 N -0.18 2.11 0.35 0.44 2.20 -1.26 -4.95 119.74 118.45 3f1f s LYS 97 Ca 0.07 -1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 54.35 3f1f s LYS 97 Cb -0.12 -2.29 -0.12 0.00 -1.51 0.00 0.00 37.83 33.79 3f1f s LYS 97 CO 0.01 0.50 1.30 -2.30 -0.36 0.00 0.00 175.35 174.50 3f1f n PRO 98 N 0.63 2.14 0.00 4.03 -0.02 -1.26 -1.89 135.00 138.63 3f1f n PRO 98 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3f1f n PRO 98 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3f1f n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1f n GLY 99 N 0.75 3.20 3.47 -1.23 0.00 -0.26 -5.04 105.19 106.08 3f1f n GLY 99 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3f1f n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f1f s GLU 100 N -0.47 -1.18 0.06 1.61 2.02 -0.79 -4.73 118.70 115.22 3f1f s GLU 100 Ca 0.00 0.79 0.04 0.00 0.02 0.00 0.00 54.97 55.82 3f1f s GLU 100 Cb 0.00 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 3f1f s GLU 100 CO 0.00 -3.89 -0.12 1.03 0.02 0.00 0.00 175.26 172.31 3f1f s ARG 101 N -4.44 0.71 0.02 1.61 0.52 -1.26 -0.87 118.95 115.25 3f1f s ARG 101 Ca 0.69 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 3f1f s ARG 101 Cb -0.25 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 3f1f s ARG 101 CO 0.65 0.14 -0.07 0.14 0.02 0.00 0.00 175.30 176.18 3f1f s VAL 102 N -1.23 0.53 0.14 3.52 -7.23 0.21 -3.18 120.40 113.16 3f1f s VAL 102 Ca -0.04 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.35 3f1f s VAL 102 Cb -0.10 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.26 3f1f s VAL 102 CO 0.01 -0.13 0.43 -1.81 -0.31 0.00 0.00 175.10 173.29 3f1f s ASP 103 N -0.91 6.58 -0.04 4.85 1.01 0.41 -0.54 116.67 128.04 3f1f s ASP 103 Ca -0.04 0.75 0.00 0.00 0.71 0.00 0.00 52.55 53.97 3f1f s ASP 103 Cb -0.06 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.74 3f1f s ASP 103 CO 0.00 0.07 -0.00 -0.69 0.21 0.00 0.00 175.17 174.76 3f1f s VAL 104 N -1.59 0.24 0.04 -1.27 1.01 -0.56 -1.44 120.40 116.82 3f1f s VAL 104 Ca 0.39 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3f1f s VAL 104 Cb -0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3f1f s VAL 104 CO 0.21 0.17 0.05 -0.89 0.00 0.00 0.00 175.10 174.64 3f1f s THR 105 N 1.12 4.45 0.19 3.92 2.01 -0.17 -0.75 115.64 126.41 3f1f s THR 105 Ca -0.08 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 3f1f s THR 105 Cb -0.13 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.35 3f1f s THR 105 CO -0.02 0.25 0.85 -0.83 -0.69 0.00 0.00 174.62 174.18 3f1f s GLY 106 N -2.00 -0.22 -0.46 4.40 0.00 0.12 -2.36 107.32 106.80 3f1f s GLY 106 Ca 0.25 0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 3f1f s GLY 106 CO 0.17 0.00 0.40 -0.51 0.00 0.00 0.00 173.10 173.15 3f1f s THR 107 N -3.52 5.20 1.05 0.90 -4.23 -1.26 -0.26 115.64 113.52 3f1f s THR 107 Ca 0.11 -0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 59.61 3f1f s THR 107 Cb -0.03 -4.09 0.13 0.00 1.34 0.00 0.00 72.50 69.85 3f1f s THR 107 CO 0.02 -0.53 0.51 -1.54 -0.54 0.00 0.00 174.62 172.54 3f1f n SER 108 N 5.31 -1.75 -4.77 3.99 3.41 -0.49 -3.33 113.62 116.00 3f1f n SER 108 Ca -0.11 0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 3f1f n SER 108 Cb 0.45 -1.18 -0.00 0.00 -0.26 0.00 0.00 64.21 63.22 3f1f n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3f1f s LYS 109 N -3.88 4.03 -0.54 4.33 1.02 -1.26 -2.44 119.74 121.00 3f1f s LYS 109 Ca 0.60 2.26 -0.26 0.00 0.02 0.00 0.00 55.97 58.59 3f1f s LYS 109 Cb -0.19 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3f1f s LYS 109 CO 0.65 -0.48 1.03 0.20 -0.92 0.00 0.00 175.35 175.83 3f1f s GLY 110 N -0.58 1.32 0.00 -3.33 0.00 -1.26 -2.03 107.32 101.44 3f1f s GLY 110 Ca 0.55 -0.99 0.16 0.00 0.00 0.00 0.00 44.72 44.44 3f1f s GLY 110 CO 0.52 2.22 1.39 0.54 0.00 0.00 0.00 173.10 177.77 3f1f n ARG 111 N 7.76 2.17 0.00 2.90 1.74 -0.43 -4.89 116.66 125.90 3f1f n ARG 111 Ca 0.05 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 3f1f n ARG 111 Cb 0.48 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3f1f n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1f n GLY 112 N 1.31 1.04 3.59 -0.13 0.00 -1.22 -4.30 105.19 105.48 3f1f n GLY 112 Ca 0.17 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3f1f n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f1f s PHE 113 N 0.00 2.22 0.04 1.61 5.36 -1.26 -1.21 117.98 124.74 3f1f s PHE 113 Ca 0.00 0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 56.54 3f1f s PHE 113 Cb 0.00 -4.28 -0.05 0.00 -0.34 0.00 0.00 43.02 38.35 3f1f s PHE 113 CO 0.00 -2.18 0.30 0.00 -1.46 0.00 0.00 175.22 171.88 3f1f s ALA 114 N 6.06 3.84 0.21 11.12 0.00 0.15 -4.93 121.76 138.21 3f1f s ALA 114 Ca 0.63 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3f1f s ALA 114 Cb -0.14 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 3f1f s ALA 114 CO 0.31 0.66 1.17 0.20 0.00 0.00 0.00 175.76 178.10 3f1f s GLY 115 N -1.89 2.79 0.50 0.00 0.00 -1.26 -2.84 107.32 104.62 3f1f s GLY 115 Ca 0.31 0.95 0.29 0.00 0.00 0.00 0.00 44.72 46.26 3f1f s GLY 115 CO 0.19 1.76 1.86 -0.24 0.00 0.00 0.00 173.10 176.67 3f1f h VAL 116 N 3.56 0.54 -0.79 1.40 3.04 -1.90 0.57 116.25 122.68 3f1f h VAL 116 Ca -0.45 -0.04 0.17 0.00 -1.01 0.00 0.00 66.70 65.37 3f1f h VAL 116 Cb 1.21 0.42 -0.11 0.00 -2.01 0.00 0.00 31.29 30.80 3f1f h VAL 116 CO 0.72 0.02 0.26 -0.03 -1.01 0.00 0.00 177.57 177.53 3f1f h MET 117 N 0.11 0.33 0.00 4.17 -1.53 -1.91 -1.97 114.93 114.14 3f1f h MET 117 Ca 0.48 -0.02 -0.38 0.00 -3.44 0.00 0.00 59.70 56.34 3f1f h MET 117 Cb 1.69 -0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 32.60 3f1f h MET 117 CO -0.07 0.22 -2.42 1.17 0.14 0.00 0.00 176.91 175.94 3f1f n LYS 118 N -5.10 0.65 -0.33 0.39 4.81 0.15 -2.17 118.16 116.57 3f1f n LYS 118 Ca 0.16 0.12 0.01 0.00 -0.87 0.00 0.00 58.31 57.74 3f1f n LYS 118 Cb 0.50 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.23 3f1f n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3f1f h ARG 119 N 0.00 1.14 0.00 1.64 1.12 -0.16 -3.03 114.38 115.09 3f1f h ARG 119 Ca -0.56 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.23 3f1f h ARG 119 Cb 1.92 -0.26 -0.03 0.00 -0.01 0.00 0.00 29.97 31.60 3f1f h ARG 119 CO -0.07 0.76 -0.28 0.91 -3.11 0.00 0.00 179.97 178.18 3f1f n TRP 120 N -4.44 0.00 -3.86 2.20 7.02 -0.74 -5.00 117.44 112.62 3f1f n TRP 120 Ca 0.12 -0.72 -0.30 0.00 -1.02 0.00 0.00 57.50 55.58 3f1f n TRP 120 Cb 0.10 -0.13 -0.01 0.00 -2.42 0.00 0.00 31.31 28.84 3f1f n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3f1f n ASN 121 N -0.84 -3.51 -3.44 -0.99 4.13 -0.98 -4.91 115.26 104.72 3f1f n ASN 121 Ca 0.11 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.63 3f1f n ASN 121 Cb 0.70 -2.88 0.00 0.00 -1.54 0.00 0.00 39.78 36.05 3f1f n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3f1f n PHE 122 N -4.19 -0.18 -1.33 3.10 3.01 -0.92 -4.98 117.46 111.97 3f1f n PHE 122 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3f1f n PHE 122 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3f1f n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3f1f n ALA 123 N -3.00 0.00 -0.20 4.37 0.00 -1.26 -4.96 120.51 115.45 3f1f n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1f n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f1f n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 124 N 0.00 2.76 3.51 0.00 0.00 -1.25 -4.83 105.19 105.38 3f1f n GLY 124 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3f1f n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1f s GLY 125 N 0.00 1.10 0.07 -0.02 0.00 0.11 -4.91 107.32 103.67 3f1f s GLY 125 Ca 0.00 -1.28 -0.37 0.00 0.00 0.00 0.00 44.72 43.07 3f1f s GLY 125 CO 0.00 -0.87 1.30 -1.05 0.00 0.00 0.00 173.10 172.48 3f1f n PRO 126 N -0.47 0.95 0.00 2.90 -0.02 -1.26 -4.67 135.00 132.43 3f1f n PRO 126 Ca -0.00 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 3f1f n PRO 126 Cb 0.62 -1.96 0.51 0.00 -0.02 0.00 0.00 33.50 32.64 3f1f n PRO 126 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1f n ASP 127 N 2.39 0.00 0.00 2.55 9.92 -1.26 -4.71 116.55 125.44 3f1f n ASP 127 Ca 0.19 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 3f1f n ASP 127 Cb 0.17 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 3f1f n ASP 127 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3f1f n SER 128 N -1.18 0.00 -0.47 -2.24 2.88 -1.26 -4.95 113.62 106.40 3f1f n SER 128 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3f1f n SER 128 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 3f1f n SER 128 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3f1f n HIS 129 N -2.08 0.00 0.00 0.66 8.25 -1.26 -4.80 115.22 115.99 3f1f n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f1f n HIS 129 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 3f1f n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1f n GLY 130 N 0.37 1.39 4.16 -1.41 0.00 -1.26 -5.04 105.19 103.41 3f1f n GLY 130 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3f1f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f n ALA 131 N -1.28 0.00 0.00 4.61 0.00 -1.26 -4.74 120.51 117.84 3f1f n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1f n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f1f n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3f1f n HIS 132 N 0.00 0.00 -0.52 0.00 -0.00 -1.26 -3.88 115.22 109.56 3f1f n HIS 132 Ca 0.00 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.28 3f1f n HIS 132 Cb 0.00 -0.18 0.33 0.00 -0.12 0.00 0.00 29.99 30.02 3f1f n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3f1f n LYS 133 N 0.00 3.32 -0.46 1.57 5.02 -1.26 -4.40 118.16 121.95 3f1f n LYS 133 Ca 0.00 -2.75 0.06 0.00 -2.02 0.00 0.00 58.31 53.60 3f1f n LYS 133 Cb 0.00 -1.73 0.10 0.00 -0.02 0.00 0.00 35.03 33.38 3f1f n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3f1f n ILE 134 N 1.17 1.20 0.15 -0.18 -6.64 -1.25 -4.92 119.36 108.89 3f1f n ILE 134 Ca 0.24 -1.67 -0.08 0.00 -1.77 0.00 0.00 62.75 59.46 3f1f n ILE 134 Cb 0.77 0.11 -0.04 0.00 -1.44 0.00 0.00 39.64 39.03 3f1f n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3f1f h HIS 135 N 0.30 -0.63 -0.62 4.28 3.86 -1.83 -2.82 115.15 117.69 3f1f h HIS 135 Ca -0.03 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.93 3f1f h HIS 135 Cb 1.22 0.24 -0.15 0.00 1.06 0.00 0.00 27.41 29.78 3f1f h HIS 135 CO 0.19 -0.31 0.33 0.54 0.86 0.00 0.00 177.93 179.54 3f1f n ARG 136 N -3.72 2.47 -3.12 2.45 1.74 -1.26 0.05 116.66 115.27 3f1f n ARG 136 Ca -0.06 -2.18 -0.28 0.00 -0.77 0.00 0.00 57.85 54.57 3f1f n ARG 136 Cb 0.21 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 3f1f n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3f1f s HIS 137 N -2.33 3.50 -0.39 -1.55 3.76 -1.06 -4.45 115.29 112.77 3f1f s HIS 137 Ca 0.40 0.68 0.23 0.00 -0.15 0.00 0.00 55.06 56.22 3f1f s HIS 137 Cb 0.33 -2.15 0.39 0.00 1.11 0.00 0.00 32.58 32.26 3f1f s HIS 137 CO 0.09 0.02 1.63 -1.00 -0.85 0.00 0.00 174.74 174.62 3f1f h PRO 138 N 1.09 0.00 0.00 8.40 0.14 -1.92 -3.33 132.00 136.38 3f1f h PRO 138 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 3f1f h PRO 138 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 3f1f h PRO 138 CO 0.64 0.02 0.00 0.41 0.14 0.00 0.00 178.00 179.21 3f1f n GLY 139 N 1.04 -1.21 3.29 1.56 0.00 -1.26 -4.88 105.19 103.72 3f1f n GLY 139 Ca 0.04 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3f1f n GLY 139 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3f1f n SER 140 N -0.39 -3.19 0.00 1.61 2.88 -1.26 -4.94 113.62 108.34 3f1f n SER 140 Ca 0.00 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 3f1f n SER 140 Cb 0.00 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3f1f n SER 140 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3f1f n ILE 141 N -2.81 0.02 -2.23 2.46 -5.35 -1.26 -5.12 119.36 105.07 3f1f n ILE 141 Ca 0.05 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3f1f n ILE 141 Cb 0.53 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3f1f n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f1f n GLY 142 N -0.01 1.62 1.84 3.28 0.00 -1.26 -4.86 105.19 105.80 3f1f n GLY 142 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3f1f n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f1f n ASN 143 N 0.00 0.05 -3.67 1.61 4.13 -1.26 -5.12 115.26 110.99 3f1f n ASN 143 Ca 0.00 -2.23 0.00 0.00 1.68 0.00 0.00 54.58 54.03 3f1f n ASN 143 Cb 0.00 0.84 0.00 0.00 -1.54 0.00 0.00 39.78 39.08 3f1f n ASN 143 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3f1f n ARG 144 N -0.41 2.26 0.07 3.52 5.12 -1.26 -4.57 116.66 121.41 3f1f n ARG 144 Ca 0.02 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.14 3f1f n ARG 144 Cb 0.34 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 32.25 3f1f n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3f1f h LYS 145 N 0.00 0.00 -4.53 5.56 1.57 -2.02 -3.09 116.57 114.06 3f1f h LYS 145 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3f1f h LYS 145 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 31.96 3f1f h LYS 145 CO 0.00 0.00 -0.82 0.95 -0.57 0.00 0.00 179.45 179.01 3f1f s THR 146 N -4.41 1.23 0.32 -0.16 -4.23 -1.26 -3.00 115.64 104.13 3f1f s THR 146 Ca -0.03 -0.48 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 3f1f s THR 146 Cb 0.12 -1.15 0.07 0.00 1.34 0.00 0.00 72.50 72.88 3f1f s THR 146 CO 0.42 0.39 1.76 1.55 -0.54 0.00 0.00 174.62 178.20 3f1f h PRO 147 N 7.45 0.21 0.00 3.99 0.13 -1.86 -3.44 132.00 138.48 3f1f h PRO 147 Ca -0.31 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3f1f h PRO 147 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3f1f h PRO 147 CO 0.46 0.54 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 3f1f n GLY 148 N -0.37 0.58 0.00 1.56 0.00 -1.16 -5.02 105.19 100.78 3f1f n GLY 148 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3f1f n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1f n ARG 149 N -2.69 0.00 -4.01 1.61 1.85 -1.26 -5.06 116.66 107.10 3f1f n ARG 149 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 3f1f n ARG 149 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 3f1f n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f1f s VAL 150 N -2.48 0.26 0.27 8.89 1.01 -1.26 -4.75 120.40 122.34 3f1f s VAL 150 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3f1f s VAL 150 Cb 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 36.38 35.97 3f1f s VAL 150 CO 0.00 0.12 1.60 -1.22 0.00 0.00 0.00 175.10 175.60 3f1f n TYR 151 N 3.63 2.77 -1.89 5.22 4.01 -1.26 -4.88 117.16 124.76 3f1f n TYR 151 Ca -0.21 0.24 -0.37 0.00 -0.16 0.00 0.00 57.90 57.40 3f1f n TYR 151 Cb 0.54 -2.60 -0.03 0.00 -0.31 0.00 0.00 39.34 36.94 3f1f n TYR 151 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3f1f s LYS 152 N -0.23 2.45 0.00 -0.72 1.02 -1.26 -1.58 119.74 119.42 3f1f s LYS 152 Ca 0.66 0.83 0.00 0.00 0.02 0.00 0.00 55.97 57.48 3f1f s LYS 152 Cb -0.51 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.32 3f1f s LYS 152 CO 0.46 -2.94 0.00 0.41 -0.92 0.00 0.00 175.35 172.36 3f1f n GLY 153 N 5.84 0.65 3.63 -3.33 0.00 -1.26 -5.11 105.19 105.60 3f1f n GLY 153 Ca 0.26 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.69 3f1f n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1f n LYS 154 N 0.00 0.47 -2.10 1.61 3.00 -0.62 -4.79 118.16 115.73 3f1f n LYS 154 Ca 0.00 0.17 -0.43 0.00 -0.00 0.00 0.00 58.31 58.05 3f1f n LYS 154 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 35.03 33.27 3f1f n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3f1f s LYS 155 N 1.56 3.61 0.04 1.64 1.02 -1.26 -4.95 119.74 121.39 3f1f s LYS 155 Ca 0.95 1.50 -0.01 0.00 0.02 0.00 0.00 55.97 58.42 3f1f s LYS 155 Cb -1.22 -4.09 -0.03 0.00 -0.52 0.00 0.00 37.83 31.97 3f1f s LYS 155 CO 0.63 -1.52 -0.02 -1.64 -0.92 0.00 0.00 175.35 171.88 3f1f s MET 156 N 5.05 0.47 0.22 1.68 -1.94 -1.26 -5.08 119.30 118.44 3f1f s MET 156 Ca 0.73 -0.90 -0.32 0.00 -1.71 0.00 0.00 55.69 53.49 3f1f s MET 156 Cb -0.23 0.17 -0.13 0.00 2.01 0.00 0.00 34.83 36.64 3f1f s MET 156 CO 0.31 -0.09 1.45 0.00 -0.01 0.00 0.00 175.02 176.68 3f1f n ALA 157 N 0.84 1.19 -3.00 3.03 0.00 -1.26 -4.88 120.51 116.42 3f1f n ALA 157 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3f1f n ALA 157 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3f1f n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 158 N 2.42 1.37 3.70 0.00 0.00 -1.13 -4.91 105.19 106.64 3f1f n GLY 158 Ca 0.13 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3f1f n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f1f s HIS 159 N -4.60 2.48 -0.07 1.61 3.76 -1.25 0.29 115.29 117.51 3f1f s HIS 159 Ca 0.00 0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3f1f s HIS 159 Cb 0.00 -4.12 0.03 0.00 1.11 0.00 0.00 32.58 29.60 3f1f s HIS 159 CO 0.00 -4.46 -0.02 -0.47 -0.85 0.00 0.00 174.74 168.94 3f1f s TYR 160 N 2.12 0.78 0.00 1.40 6.04 -0.35 -4.89 117.35 122.46 3f1f s TYR 160 Ca 0.77 -0.24 0.00 0.00 0.04 0.00 0.00 57.07 57.64 3f1f s TYR 160 Cb -0.46 -0.81 0.00 0.00 -1.04 0.00 0.00 41.96 39.65 3f1f s TYR 160 CO 0.34 -0.31 0.00 0.41 -1.54 0.00 0.00 175.55 174.45 3f1f n GLY 161 N 4.79 -2.73 2.68 8.97 0.00 -1.26 -1.31 105.19 116.32 3f1f n GLY 161 Ca -0.13 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 3f1f n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f n ALA 162 N 0.20 -0.17 -1.98 4.61 0.00 -0.86 -4.69 120.51 117.63 3f1f n ALA 162 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 3f1f n ALA 162 Cb 0.00 -1.71 0.08 0.00 0.00 0.00 0.00 19.45 17.82 3f1f n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3f1f s GLU 163 N -2.88 2.07 0.05 0.00 -1.05 -1.26 -4.73 118.70 110.90 3f1f s GLU 163 Ca 0.00 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.64 3f1f s GLU 163 Cb 0.00 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 3f1f s GLU 163 CO 0.00 -1.14 0.97 0.50 0.95 0.00 0.00 175.26 176.53 3f1f s ARG 164 N -5.01 4.62 -0.06 -4.83 3.52 -1.26 -1.39 118.95 114.54 3f1f s ARG 164 Ca 0.62 1.42 -0.00 0.00 -0.13 0.00 0.00 55.73 57.65 3f1f s ARG 164 Cb -0.08 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3f1f s ARG 164 CO 0.42 0.08 -0.02 0.08 -0.81 0.00 0.00 175.30 175.05 3f1f s VAL 165 N 0.51 0.46 -0.16 7.11 1.01 0.64 -4.92 120.40 125.05 3f1f s VAL 165 Ca 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3f1f s VAL 165 Cb -0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3f1f s VAL 165 CO 0.29 0.24 -0.04 -0.89 0.00 0.00 0.00 175.10 174.70 3f1f s THR 166 N 1.39 3.89 -0.06 3.92 2.01 -1.26 -0.70 115.64 124.83 3f1f s THR 166 Ca -0.04 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3f1f s THR 166 Cb -0.13 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3f1f s THR 166 CO -0.03 0.49 -0.07 0.54 -0.69 0.00 0.00 174.62 174.86 3f1f s VAL 167 N 0.38 3.67 0.12 3.82 0.11 0.07 -4.96 120.40 123.61 3f1f s VAL 167 Ca -0.04 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 58.48 3f1f s VAL 167 Cb -0.14 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.16 3f1f s VAL 167 CO 0.03 0.59 0.32 -0.04 -3.33 0.00 0.00 175.10 172.67 3f1f s MET 168 N -0.84 3.55 -1.31 1.54 1.00 -1.26 -1.49 119.30 120.48 3f1f s MET 168 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 55.69 55.49 3f1f s MET 168 Cb -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 34.83 31.81 3f1f s MET 168 CO 0.02 0.50 0.54 -1.71 0.00 0.00 0.00 175.02 174.37 3f1f n ASN 169 N 0.05 -2.14 -4.80 3.03 4.05 -1.19 -4.94 115.26 109.33 3f1f n ASN 169 Ca -0.03 -1.04 -0.37 0.00 0.45 0.00 0.00 54.58 53.59 3f1f n ASN 169 Cb 0.52 -3.00 -0.06 0.00 1.23 0.00 0.00 39.78 38.47 3f1f n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3f1f s LEU 170 N -6.87 4.37 -0.05 1.20 1.43 0.30 -4.81 118.68 114.26 3f1f s LEU 170 Ca 0.19 1.54 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 3f1f s LEU 170 Cb -0.08 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3f1f s LEU 170 CO 0.89 0.03 0.56 -1.83 0.23 0.00 0.00 176.35 176.22 3f1f s GLU 171 N -1.91 4.30 -0.65 1.70 -1.05 -1.26 0.66 118.70 120.49 3f1f s GLU 171 Ca 0.44 0.64 -0.27 0.00 -0.15 0.00 0.00 54.97 55.62 3f1f s GLU 171 Cb -0.18 -3.37 0.02 0.00 -0.44 0.00 0.00 34.13 30.16 3f1f s GLU 171 CO 0.22 0.30 1.39 0.08 0.95 0.00 0.00 175.26 178.19 3f1f s VAL 172 N 0.09 3.73 -0.02 1.83 1.01 -0.05 -3.11 120.40 123.89 3f1f s VAL 172 Ca 0.30 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 3f1f s VAL 172 Cb -0.17 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 3f1f s VAL 172 CO 0.15 -1.45 0.50 0.58 0.00 0.00 0.00 175.10 174.88 3f1f h VAL 173 N 6.27 0.00 -2.61 2.92 2.07 0.11 -0.67 116.25 124.34 3f1f h VAL 173 Ca -0.27 -0.34 -0.52 0.00 0.82 0.00 0.00 66.70 66.39 3f1f h VAL 173 Cb 1.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.71 3f1f h VAL 173 CO 1.23 0.00 -0.75 -0.62 0.02 0.00 0.00 177.57 177.45 3f1f s ASP 174 N -3.90 3.00 -0.19 0.57 3.68 -1.09 -4.40 116.67 114.34 3f1f s ASP 174 Ca -0.04 -1.02 -0.04 0.00 2.13 0.00 0.00 52.55 53.58 3f1f s ASP 174 Cb 0.00 -0.20 0.09 0.00 -1.45 0.00 0.00 42.92 41.36 3f1f s ASP 174 CO 0.13 -0.08 0.24 0.54 0.13 0.00 0.00 175.17 176.13 3f1f s VAL 175 N -2.76 -0.36 -0.80 1.11 0.11 -1.26 -0.52 120.40 115.91 3f1f s VAL 175 Ca 0.25 -0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 3f1f s VAL 175 Cb -0.03 -0.63 0.21 0.00 -1.53 0.00 0.00 36.38 34.40 3f1f s VAL 175 CO 0.10 -0.12 0.72 -0.63 -3.33 0.00 0.00 175.10 171.84 3f1f s ILE 176 N 2.36 5.37 0.51 7.04 1.09 -0.81 -4.90 121.20 131.86 3f1f s ILE 176 Ca 0.06 -2.52 0.21 0.00 -1.10 0.00 0.00 60.65 57.30 3f1f s ILE 176 Cb -0.15 -4.33 0.36 0.00 -1.06 0.00 0.00 42.46 37.28 3f1f s ILE 176 CO -0.11 -1.01 2.02 1.55 -0.10 0.00 0.00 174.94 177.29 3f1f h PRO 177 N 7.70 0.09 -0.82 2.79 0.13 -1.97 -2.04 132.00 137.88 3f1f h PRO 177 Ca 0.08 -0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.41 3f1f h PRO 177 Cb 1.03 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.00 3f1f h PRO 177 CO 0.75 0.06 0.15 0.93 -0.23 0.00 0.00 178.00 179.66 3f1f h GLU 178 N 0.09 0.17 0.00 0.86 3.07 -1.97 -3.07 114.58 113.74 3f1f h GLU 178 Ca 0.21 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3f1f h GLU 178 Cb 0.72 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3f1f h GLU 178 CO -0.02 0.11 -0.16 0.39 -1.40 0.00 0.00 179.01 177.93 3f1f n GLU 179 N -5.26 0.91 -2.67 2.33 1.02 -1.03 -5.04 120.64 110.90 3f1f n GLU 179 Ca 0.18 -1.45 -0.08 0.00 -0.02 0.00 0.00 57.16 55.78 3f1f n GLU 179 Cb 0.58 -0.88 0.04 0.00 -0.02 0.00 0.00 31.44 31.16 3f1f n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f1f n ASN 180 N -0.51 -5.34 -4.15 1.62 3.02 -0.80 -4.95 115.26 104.15 3f1f n ASN 180 Ca 0.05 -0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 53.90 3f1f n ASN 180 Cb 0.56 -3.77 -0.17 0.00 -0.61 0.00 0.00 39.78 35.80 3f1f n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3f1f s LEU 181 N -4.37 1.96 -0.17 3.41 2.01 -1.06 -2.86 118.68 117.60 3f1f s LEU 181 Ca 0.25 -0.50 -0.08 0.00 0.01 0.00 0.00 54.13 53.81 3f1f s LEU 181 Cb -0.03 -1.26 -0.04 0.00 0.01 0.00 0.00 46.19 44.86 3f1f s LEU 181 CO 0.51 0.10 0.10 -0.22 1.01 0.00 0.00 176.35 177.85 3f1f s LEU 182 N 0.57 4.07 -0.34 1.79 2.96 0.56 -1.92 118.68 126.38 3f1f s LEU 182 Ca -0.14 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3f1f s LEU 182 Cb -0.17 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.55 3f1f s LEU 182 CO 0.05 0.23 0.08 -0.76 -1.32 0.00 0.00 176.35 174.63 3f1f s LEU 183 N 0.03 4.31 0.45 -0.68 1.02 0.32 -1.26 118.68 122.88 3f1f s LEU 183 Ca 0.08 -1.30 0.06 0.00 0.02 0.00 0.00 54.13 52.98 3f1f s LEU 183 Cb -0.12 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 3f1f s LEU 183 CO 0.00 -0.34 0.18 0.68 0.02 0.00 0.00 176.35 176.89 3f1f s VAL 184 N 1.32 2.00 0.00 -1.59 -7.23 -1.00 0.15 120.40 114.05 3f1f s VAL 184 Ca -0.02 -1.73 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3f1f s VAL 184 Cb -0.20 -2.73 -0.16 0.00 0.56 0.00 0.00 36.38 33.85 3f1f s VAL 184 CO 0.01 0.00 2.53 0.29 -0.31 0.00 0.00 175.10 177.62 3f1f n LYS 185 N -1.32 1.32 0.00 4.82 4.76 -1.18 -1.21 118.16 125.35 3f1f n LYS 185 Ca -0.04 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 3f1f n LYS 185 Cb 0.65 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 3f1f n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1f n GLY 186 N 2.46 1.21 3.56 0.72 0.00 -1.23 -4.78 105.19 107.14 3f1f n GLY 186 Ca 0.26 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 3f1f n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f s ALA 187 N 0.00 1.43 -0.03 4.61 0.00 -1.26 -4.38 121.76 122.13 3f1f s ALA 187 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.47 3f1f s ALA 187 Cb 0.00 -4.59 0.02 0.00 0.00 0.00 0.00 23.12 18.55 3f1f s ALA 187 CO 0.00 -5.23 -0.02 0.54 0.00 0.00 0.00 175.76 171.05 3f1f s VAL 188 N 11.56 0.31 1.34 0.00 0.11 -1.26 -4.95 120.40 127.50 3f1f s VAL 188 Ca 0.75 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.58 3f1f s VAL 188 Cb -0.07 -0.37 0.33 0.00 -1.53 0.00 0.00 36.38 34.74 3f1f s VAL 188 CO 0.05 0.17 0.75 -0.81 -3.33 0.00 0.00 175.10 171.92 3f1f n PRO 189 N 4.05 -4.02 -0.68 1.54 -0.04 -1.26 -4.90 135.00 129.70 3f1f n PRO 189 Ca -0.26 -1.26 0.08 0.00 -0.04 0.00 0.00 63.50 62.02 3f1f n PRO 189 Cb 0.51 -1.77 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 3f1f n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1f n GLY 190 N -4.64 -2.78 3.98 0.55 0.00 -1.21 -4.80 105.19 96.29 3f1f n GLY 190 Ca 0.12 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 3f1f n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3f1f s PRO 191 N -3.32 2.74 0.63 1.61 0.04 -1.26 -4.79 135.00 130.65 3f1f s PRO 191 Ca 0.00 -0.84 -0.17 0.00 0.04 0.00 0.00 61.00 60.02 3f1f s PRO 191 Cb 0.00 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3f1f s PRO 191 CO 0.00 -0.49 0.84 0.09 0.04 0.00 0.00 177.00 177.48 3f1f n ASN 192 N -2.14 0.17 0.00 6.66 5.03 -1.26 -1.53 115.26 122.19 3f1f n ASN 192 Ca 0.06 0.74 0.00 0.00 0.87 0.00 0.00 54.58 56.25 3f1f n ASN 192 Cb 0.59 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.01 3f1f n ASN 192 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3f1f n GLY 193 N 1.39 0.34 3.88 7.41 0.00 0.35 -4.98 105.19 113.58 3f1f n GLY 193 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3f1f n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1f s GLY 194 N -2.00 2.04 0.47 -0.02 0.00 -0.58 -4.85 107.32 102.38 3f1f s GLY 194 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.23 3f1f s GLY 194 CO 0.00 -0.15 0.97 -2.27 0.00 0.00 0.00 173.10 171.65 3f1f s LEU 195 N -3.41 3.80 -0.29 0.66 0.20 -1.26 -0.80 118.68 117.58 3f1f s LEU 195 Ca 0.48 1.65 -0.16 0.00 0.69 0.00 0.00 54.13 56.80 3f1f s LEU 195 Cb -0.11 -4.53 0.13 0.00 -0.43 0.00 0.00 46.19 41.26 3f1f s LEU 195 CO 0.27 -0.48 0.89 0.54 -0.29 0.00 0.00 176.35 177.28 3f1f s VAL 196 N -2.36 -0.12 0.14 1.68 0.11 -0.53 -4.43 120.40 114.88 3f1f s VAL 196 Ca 0.61 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.63 3f1f s VAL 196 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 3f1f s VAL 196 CO 0.21 0.00 0.35 0.27 -3.33 0.00 0.00 175.10 172.61 3f1f s ILE 197 N 1.64 5.21 -0.02 7.04 -4.36 -1.00 -1.20 121.20 128.53 3f1f s ILE 197 Ca -0.08 -0.11 0.01 0.00 -0.26 0.00 0.00 60.65 60.21 3f1f s ILE 197 Cb -0.05 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 40.03 3f1f s ILE 197 CO -0.17 0.01 -0.03 -0.69 0.24 0.00 0.00 174.94 174.31 3f1f s VAL 198 N -1.68 0.31 0.31 8.37 1.01 -0.70 -1.00 120.40 127.03 3f1f s VAL 198 Ca 0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3f1f s VAL 198 Cb -0.12 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3f1f s VAL 198 CO 0.26 0.12 0.54 0.00 0.00 0.00 0.00 175.10 176.02 3f1f s ARG 199 N 0.35 1.82 0.69 2.72 1.70 -0.52 -1.36 118.95 124.34 3f1f s ARG 199 Ca -0.04 -1.48 -0.16 0.00 -0.47 0.00 0.00 55.73 53.58 3f1f s ARG 199 Cb -0.07 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 3f1f s ARG 199 CO -0.01 -0.78 1.21 -2.00 -1.08 0.00 0.00 175.30 172.65 3f1f s GLU 200 N -3.33 2.40 0.00 3.89 2.12 -1.15 -0.44 118.70 122.18 3f1f s GLU 200 Ca 0.24 1.79 0.00 0.00 0.36 0.00 0.00 54.97 57.36 3f1f s GLU 200 Cb -0.01 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.51 3f1f s GLU 200 CO 0.14 -1.64 0.00 2.41 -0.54 0.00 0.00 175.26 175.62 3f1f n THR 201 N -2.37 0.00 -3.04 -1.70 -1.04 -1.19 -4.16 114.28 100.77 3f1f n THR 201 Ca 0.14 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.94 3f1f n THR 201 Cb 0.50 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 3f1f n THR 201 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3f1f n LYS 202 N -0.94 1.79 0.22 -2.82 4.01 -1.26 -4.76 118.16 114.40 3f1f n LYS 202 Ca 0.00 -3.88 0.08 0.00 -0.51 0.00 0.00 58.31 54.00 3f1f n LYS 202 Cb 0.00 -1.86 0.51 0.00 -0.51 0.00 0.00 35.03 33.17 3f1f n LYS 202 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3f1f h LYS 203 N 2.98 0.00 0.00 1.97 1.63 -1.98 -3.51 116.57 117.66 3f1f h LYS 203 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3f1f h LYS 203 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3f1f h LYS 203 CO 0.61 0.26 0.00 0.00 -3.45 0.00 0.00 179.45 176.87