#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0g n ASP 2 N 0.00 4.93 -4.79 7.83 -0.08 -1.26 -4.98 116.55 118.20 3f0g n ASP 2 Ca 0.00 -3.03 -0.35 0.00 -1.51 0.00 0.00 54.79 49.89 3f0g n ASP 2 Cb 0.00 -1.54 -0.05 0.00 2.34 0.00 0.00 41.12 41.87 3f0g n ASP 2 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3f0g s PHE 3 N 1.24 3.27 0.01 -0.67 0.08 -1.26 -1.91 117.98 118.73 3f0g s PHE 3 Ca 0.42 1.64 0.01 0.00 0.12 0.00 0.00 56.93 59.12 3f0g s PHE 3 Cb 0.07 -3.04 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 3f0g s PHE 3 CO -0.01 -0.48 -0.03 1.03 -0.10 0.00 0.00 175.22 175.64 3f0g s ARG 4 N -2.71 0.21 0.10 0.44 1.81 0.02 -4.97 118.95 113.85 3f0g s ARG 4 Ca 0.60 -0.28 0.06 0.00 -1.72 0.00 0.00 55.73 54.38 3f0g s ARG 4 Cb -0.18 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 3f0g s ARG 4 CO 0.23 0.01 -0.03 0.96 -0.68 0.00 0.00 175.30 175.79 3f0g s ILE 5 N -0.57 3.82 0.08 1.52 -4.36 -1.26 -1.24 121.20 119.18 3f0g s ILE 5 Ca -0.05 -1.08 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 3f0g s ILE 5 Cb -0.04 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 3f0g s ILE 5 CO -0.00 0.11 -0.08 -0.83 0.24 0.00 0.00 174.94 174.38 3f0g s GLY 6 N -2.29 0.71 0.04 6.27 0.00 0.02 -4.11 107.32 107.95 3f0g s GLY 6 Ca 0.24 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.91 3f0g s GLY 6 CO 0.17 -1.17 -0.13 -0.86 0.00 0.00 0.00 173.10 171.11 3f0g s GLN 7 N -2.71 0.85 0.05 2.90 1.03 -1.26 -1.37 119.66 119.15 3f0g s GLN 7 Ca 0.02 -0.73 0.04 0.00 0.04 0.00 0.00 55.36 54.73 3f0g s GLN 7 Cb -0.03 -0.84 -0.02 0.00 0.03 0.00 0.00 33.01 32.15 3f0g s GLN 7 CO -0.01 0.20 -0.11 0.20 -2.54 0.00 0.00 175.29 173.03 3f0g s GLY 8 N -1.15 0.67 -0.03 2.60 0.00 0.70 -3.93 107.32 106.18 3f0g s GLY 8 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 3f0g s GLY 8 CO 0.01 -0.82 0.05 -0.47 0.00 0.00 0.00 173.10 171.87 3f0g s TYR 9 N -1.09 -0.03 -0.00 1.90 6.14 -1.26 -1.03 117.35 121.98 3f0g s TYR 9 Ca -0.03 0.18 -0.09 0.00 0.64 0.00 0.00 57.07 57.76 3f0g s TYR 9 Cb -0.09 -0.11 0.01 0.00 0.42 0.00 0.00 41.96 42.19 3f0g s TYR 9 CO 0.01 -0.07 0.18 0.34 0.64 0.00 0.00 175.55 176.65 3f0g s ASP 10 N 0.65 -0.03 -0.07 4.32 2.15 -0.49 -4.73 116.67 118.47 3f0g s ASP 10 Ca -0.05 -0.13 -0.07 0.00 0.43 0.00 0.00 52.55 52.73 3f0g s ASP 10 Cb -0.07 0.23 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 3f0g s ASP 10 CO -0.02 -0.39 0.20 0.54 -0.17 0.00 0.00 175.17 175.33 3f0g s VAL 11 N -1.36 -0.00 0.03 1.11 0.11 -1.26 -0.44 120.40 118.59 3f0g s VAL 11 Ca -0.14 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3f0g s VAL 11 Cb -0.07 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 3f0g s VAL 11 CO 0.02 0.00 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.74 3f0g s HIS 12 N 0.18 0.47 0.44 1.54 3.76 -0.62 -5.00 115.29 116.05 3f0g s HIS 12 Ca -0.01 -0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 54.21 3f0g s HIS 12 Cb -0.02 -0.30 -0.09 0.00 1.11 0.00 0.00 32.58 33.28 3f0g s HIS 12 CO -0.00 -0.12 1.01 -0.65 -0.85 0.00 0.00 174.74 174.13 3f0g s GLN 13 N -1.41 4.05 -0.36 1.40 -0.21 -1.26 -0.97 119.66 120.91 3f0g s GLN 13 Ca -0.12 1.33 -0.17 0.00 0.02 0.00 0.00 55.36 56.42 3f0g s GLN 13 Cb -0.09 -2.27 -0.00 0.00 1.00 0.00 0.00 33.01 31.64 3f0g s GLN 13 CO -0.00 -0.21 0.47 -0.51 -2.12 0.00 0.00 175.29 172.92 3f0g s LEU 14 N -3.10 4.42 0.05 2.90 1.43 0.00 -1.34 118.68 123.04 3f0g s LEU 14 Ca 0.62 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 3f0g s LEU 14 Cb -0.16 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3f0g s LEU 14 CO 0.20 -0.46 -0.19 0.68 0.23 0.00 0.00 176.35 176.80 3f0g s VAL 15 N 2.29 1.55 0.41 -1.59 -7.23 0.14 -4.85 120.40 111.12 3f0g s VAL 15 Ca 0.16 -1.17 -0.15 0.00 -1.81 0.00 0.00 61.98 59.01 3f0g s VAL 15 Cb -0.16 -1.36 -0.08 0.00 0.56 0.00 0.00 36.38 35.34 3f0g s VAL 15 CO 0.13 0.15 0.84 -2.16 -0.31 0.00 0.00 175.10 173.75 3f0g s PRO 16 N -1.20 3.98 -0.45 4.82 0.04 -1.26 0.60 135.00 141.52 3f0g s PRO 16 Ca 0.06 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.91 3f0g s PRO 16 Cb -0.09 -2.31 0.42 0.00 0.04 0.00 0.00 34.50 32.57 3f0g s PRO 16 CO 0.02 -0.02 1.25 0.41 0.04 0.00 0.00 177.00 178.70 3f0g n GLY 17 N -0.91 6.05 3.71 0.56 0.00 -1.26 -4.94 105.19 108.40 3f0g n GLY 17 Ca 0.05 -2.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.03 3f0g n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f0g s ARG 18 N -3.62 1.75 0.23 1.61 0.52 -1.21 -4.83 118.95 113.41 3f0g s ARG 18 Ca 0.50 1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 57.06 3f0g s ARG 18 Cb 0.41 -1.80 -0.09 0.00 0.52 0.00 0.00 34.95 33.99 3f0g s ARG 18 CO -0.15 -2.11 1.18 -1.25 0.02 0.00 0.00 175.30 172.99 3f0g s PRO 19 N -4.23 4.53 -0.41 3.54 0.04 -1.26 -2.59 135.00 134.62 3f0g s PRO 19 Ca 0.71 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 3f0g s PRO 19 Cb -0.26 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.09 3f0g s PRO 19 CO 0.50 0.00 0.86 -1.17 0.04 0.00 0.00 177.00 177.24 3f0g s LEU 20 N -0.83 4.08 -0.20 -3.56 2.96 -1.26 -3.91 118.68 115.96 3f0g s LEU 20 Ca 0.50 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3f0g s LEU 20 Cb -0.33 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.27 3f0g s LEU 20 CO 0.40 -0.88 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.80 3f0g s ILE 21 N 3.41 1.75 -0.10 6.68 1.01 -1.26 -0.49 121.20 132.21 3f0g s ILE 21 Ca 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3f0g s ILE 21 Cb -0.12 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3f0g s ILE 21 CO 0.21 0.22 -0.08 -0.63 0.00 0.00 0.00 174.94 174.66 3f0g s ILE 22 N 1.36 1.04 -1.51 2.92 1.01 -0.62 -4.34 121.20 121.07 3f0g s ILE 22 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3f0g s ILE 22 Cb -0.16 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3f0g s ILE 22 CO -0.09 0.36 0.02 0.61 0.00 0.00 0.00 174.94 175.85 3f0g n GLY 23 N 4.72 -0.36 2.28 6.18 0.00 -1.26 -2.30 105.19 114.45 3f0g n GLY 23 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3f0g n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f0g n GLY 24 N -1.03 1.61 3.73 -0.02 0.00 -1.26 -4.46 105.19 103.75 3f0g n GLY 24 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3f0g n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f0g s VAL 25 N -3.13 5.39 -0.34 1.61 1.01 -0.97 -5.06 120.40 118.91 3f0g s VAL 25 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 3f0g s VAL 25 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3f0g s VAL 25 CO 0.00 0.43 0.87 -0.89 0.00 0.00 0.00 175.10 175.50 3f0g s THR 26 N 0.38 4.68 -0.21 3.92 2.01 -1.26 -1.59 115.64 123.58 3f0g s THR 26 Ca 0.10 1.20 -0.08 0.00 0.31 0.00 0.00 61.69 63.22 3f0g s THR 26 Cb -0.11 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 3f0g s THR 26 CO -0.01 -0.40 0.08 -0.63 -0.69 0.00 0.00 174.62 172.97 3f0g s ILE 27 N 3.23 4.73 -0.08 1.82 1.01 0.36 -5.02 121.20 127.25 3f0g s ILE 27 Ca 0.36 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 3f0g s ILE 27 Cb -0.13 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 3f0g s ILE 27 CO 0.15 0.41 2.08 -2.65 0.00 0.00 0.00 174.94 174.94 3f0g n PRO 28 N 3.98 2.44 -3.59 2.79 -0.02 -1.26 -4.14 135.00 135.20 3f0g n PRO 28 Ca -0.16 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3f0g n PRO 28 Cb 0.52 -3.09 -0.06 0.00 -0.02 0.00 0.00 33.50 30.85 3f0g n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3f0g s TYR 29 N 6.15 -0.54 0.26 6.00 5.04 -1.26 -5.01 117.35 127.99 3f0g s TYR 29 Ca 0.95 1.12 -0.04 0.00 -2.44 0.00 0.00 57.07 56.66 3f0g s TYR 29 Cb -0.40 0.39 0.32 0.00 0.35 0.00 0.00 41.96 42.61 3f0g s TYR 29 CO 0.40 -0.39 1.83 1.05 -1.34 0.00 0.00 175.55 177.10 3f0g h GLU 30 N 3.51 1.00 -6.23 4.97 9.09 -1.91 -3.43 114.58 121.58 3f0g h GLU 30 Ca -0.25 -0.17 -0.47 0.00 0.05 0.00 0.00 59.36 58.52 3f0g h GLU 30 Cb 1.16 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.07 3f0g h GLU 30 CO 0.23 0.82 -0.43 1.03 0.05 0.00 0.00 179.01 180.72 3f0g s ARG 31 N -5.44 3.04 0.27 1.06 0.52 -1.26 -4.48 118.95 112.66 3f0g s ARG 31 Ca -0.11 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 3f0g s ARG 31 Cb 0.16 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3f0g s ARG 31 CO 0.81 0.22 0.14 0.20 0.02 0.00 0.00 175.30 176.69 3f0g s GLY 32 N -4.02 1.83 -0.11 -3.53 0.00 0.20 -4.04 107.32 97.65 3f0g s GLY 32 Ca 0.39 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 3f0g s GLY 32 CO 0.28 -1.54 0.78 1.08 0.00 0.00 0.00 173.10 173.70 3f0g s LEU 33 N -3.31 4.25 -0.08 0.66 1.43 -1.25 0.24 118.68 120.62 3f0g s LEU 33 Ca 0.37 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.42 3f0g s LEU 33 Cb 0.06 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3f0g s LEU 33 CO 0.15 -0.26 0.79 -0.22 0.23 0.00 0.00 176.35 177.04 3f0g s LEU 34 N 1.49 4.29 0.00 1.79 2.96 -0.45 -4.67 118.68 124.09 3f0g s LEU 34 Ca 0.39 1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 55.47 3f0g s LEU 34 Cb -0.17 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.34 3f0g s LEU 34 CO 0.16 -0.22 0.44 0.61 -1.32 0.00 0.00 176.35 176.03 3f0g n GLY 35 N 3.16 0.85 0.11 7.98 0.00 -1.26 -4.34 105.19 111.69 3f0g n GLY 35 Ca 0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 3f0g n GLY 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3f0g h HIS 36 N 1.39 -0.14 0.00 1.61 -0.00 -1.98 -3.46 115.15 112.58 3f0g h HIS 36 Ca -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 3f0g h HIS 36 Cb 0.48 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3f0g h HIS 36 CO 0.00 0.36 0.00 -1.13 -0.00 0.00 0.00 177.93 177.16 3f0g n SER 37 N -4.85 0.00 0.00 2.45 3.41 -1.26 -4.91 113.62 108.46 3f0g n SER 37 Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.64 3f0g n SER 37 Cb 0.28 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.83 3f0g n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3f0g n ASP 38 N 0.00 0.00 -3.07 4.04 5.75 -1.26 -4.91 116.55 117.10 3f0g n ASP 38 Ca 0.00 -1.35 -0.22 0.00 -0.01 0.00 0.00 54.79 53.21 3f0g n ASP 38 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3f0g n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f0g n ALA 39 N -0.82 -0.97 -2.07 2.12 0.00 -1.26 -4.75 120.51 112.75 3f0g n ALA 39 Ca 0.15 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3f0g n ALA 39 Cb 0.07 -3.17 -0.04 0.00 0.00 0.00 0.00 19.45 16.31 3f0g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f0g s ASP 40 N -2.62 5.24 0.31 0.00 -1.08 -1.26 -4.82 116.67 112.44 3f0g s ASP 40 Ca 0.30 -0.31 0.02 0.00 -0.52 0.00 0.00 52.55 52.03 3f0g s ASP 40 Cb -0.14 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.33 3f0g s ASP 40 CO 0.37 -2.56 1.91 1.62 0.52 0.00 0.00 175.17 177.02 3f0g h VAL 41 N 7.09 1.04 -0.10 1.11 3.04 -1.89 -0.56 116.25 125.97 3f0g h VAL 41 Ca -0.04 -0.34 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 3f0g h VAL 41 Cb 1.06 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3f0g h VAL 41 CO 1.22 0.18 -0.07 0.25 -1.01 0.00 0.00 177.57 178.14 3f0g h LEU 42 N 0.98 0.24 -0.89 3.16 5.85 -1.90 -2.45 115.31 120.30 3f0g h LEU 42 Ca 0.40 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 3f0g h LEU 42 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3f0g h LEU 42 CO -0.16 0.63 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.22 3f0g h LEU 43 N -0.16 0.49 -0.53 2.25 3.38 -1.86 -1.93 115.31 116.95 3f0g h LEU 43 Ca 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3f0g h LEU 43 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3f0g h LEU 43 CO 0.02 0.76 0.18 0.45 0.09 0.00 0.00 178.44 179.94 3f0g h HIS 44 N 0.42 0.83 -0.57 1.13 3.86 -1.13 -0.03 115.15 119.65 3f0g h HIS 44 Ca 0.06 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3f0g h HIS 44 Cb 0.72 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 3f0g h HIS 44 CO 0.02 0.71 0.26 0.00 0.86 0.00 0.00 177.93 179.78 3f0g h ALA 45 N 1.04 0.74 -0.42 2.45 0.00 -1.24 -1.53 119.26 120.29 3f0g h ALA 45 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3f0g h ALA 45 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3f0g h ALA 45 CO -0.01 0.31 0.09 0.82 0.00 0.00 0.00 179.25 180.47 3f0g h ILE 46 N 0.77 1.23 -0.30 0.00 2.04 -1.23 -2.02 117.51 118.01 3f0g h ILE 46 Ca 0.19 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3f0g h ILE 46 Cb 0.14 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3f0g h ILE 46 CO -0.02 0.29 0.03 0.74 0.00 0.00 0.00 178.15 179.19 3f0g h THR 47 N 0.55 0.82 -0.46 -0.27 2.02 -0.86 -1.64 112.91 113.07 3f0g h THR 47 Ca 0.13 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 3f0g h THR 47 Cb 0.33 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3f0g h THR 47 CO 0.00 0.02 0.00 0.44 0.37 0.00 0.00 175.52 176.36 3f0g h ASP 48 N 0.13 0.71 -0.49 4.18 3.32 -1.17 -1.02 116.42 122.09 3f0g h ASP 48 Ca 0.14 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3f0g h ASP 48 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3f0g h ASP 48 CO -0.21 0.78 0.12 0.00 -1.72 0.00 0.00 179.24 178.20 3f0g h ALA 49 N 1.30 1.18 -0.19 3.45 0.00 -1.04 0.22 119.26 124.17 3f0g h ALA 49 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3f0g h ALA 49 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f0g h ALA 49 CO 0.02 0.56 -0.35 -0.07 0.00 0.00 0.00 179.25 179.41 3f0g h LEU 50 N 0.82 0.64 -0.67 0.00 3.38 -0.88 -0.80 115.31 117.80 3f0g h LEU 50 Ca 0.18 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3f0g h LEU 50 Cb 0.32 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3f0g h LEU 50 CO 0.00 1.06 0.31 -0.26 0.09 0.00 0.00 178.44 179.64 3f0g h PHE 51 N 0.24 0.97 -0.70 1.13 0.04 -1.11 -2.13 116.94 115.39 3f0g h PHE 51 Ca 0.01 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3f0g h PHE 51 Cb 0.94 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3f0g h PHE 51 CO 0.09 0.73 0.43 0.78 -0.60 0.00 0.00 178.31 179.74 3f0g h GLY 52 N 0.93 1.02 1.43 -1.45 0.00 -0.89 0.29 103.07 104.40 3f0g h GLY 52 Ca 0.23 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3f0g h GLY 52 CO -0.03 0.41 -0.14 0.00 0.00 0.00 0.00 176.54 176.78 3f0g h ALA 53 N 1.22 1.06 -0.01 3.60 0.00 -0.98 -2.29 119.26 121.86 3f0g h ALA 53 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f0g h ALA 53 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3f0g h ALA 53 CO -0.05 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.72 3f0g n ALA 54 N -2.49 2.71 -3.71 0.00 0.00 -0.81 -4.62 120.51 111.59 3f0g n ALA 54 Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 3f0g n ALA 54 Cb 0.37 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.60 3f0g n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f0g n ALA 55 N -0.35 -1.94 -0.54 0.00 0.00 -0.11 -4.92 120.51 112.65 3f0g n ALA 55 Ca 0.18 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3f0g n ALA 55 Cb 0.30 -2.26 0.25 0.00 0.00 0.00 0.00 19.45 17.74 3f0g n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f0g n LEU 56 N -4.32 3.79 0.00 0.00 4.77 0.83 -5.01 117.00 117.06 3f0g n LEU 56 Ca -0.26 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3f0g n LEU 56 Cb 0.66 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3f0g n LEU 56 CO 0.69 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 3f0g n GLY 57 N 0.47 0.85 3.36 -0.72 0.00 -1.25 -4.91 105.19 102.99 3f0g n GLY 57 Ca 0.19 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3f0g n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f0g s ASP 58 N -4.00 1.04 0.18 1.61 1.47 -1.26 -3.57 116.67 112.14 3f0g s ASP 58 Ca 0.00 -1.55 -0.14 0.00 1.18 0.00 0.00 52.55 52.04 3f0g s ASP 58 Cb 0.00 0.57 0.15 0.00 -0.34 0.00 0.00 42.92 43.29 3f0g s ASP 58 CO 0.00 -1.11 1.73 -0.29 0.68 0.00 0.00 175.17 176.18 3f0g h ILE 59 N 2.22 0.79 0.00 2.11 2.10 -1.91 -2.38 117.51 120.43 3f0g h ILE 59 Ca -0.28 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.55 3f0g h ILE 59 Cb 1.24 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.47 3f0g h ILE 59 CO 0.40 0.05 -0.06 1.23 -1.08 0.00 0.00 178.15 178.69 3f0g h GLY 60 N 0.27 0.00 2.00 8.18 0.00 -1.98 -0.97 103.07 110.57 3f0g h GLY 60 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3f0g h GLY 60 CO -0.26 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.15 3f0g h ARG 61 N 0.00 0.00 0.00 4.80 2.43 -1.81 -3.34 114.38 116.46 3f0g h ARG 61 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 3f0g h ARG 61 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3f0g h ARG 61 CO 0.01 0.04 -1.99 0.72 -1.51 0.00 0.00 179.97 177.24 3f0g n HIS 62 N -3.12 0.00 -1.13 2.20 8.25 -0.42 -5.00 115.22 116.00 3f0g n HIS 62 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3f0g n HIS 62 Cb 0.45 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3f0g n HIS 62 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3f0g n PHE 63 N -2.38 0.00 -0.52 4.41 3.72 -0.85 -5.13 117.46 116.70 3f0g n PHE 63 Ca -0.16 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.99 3f0g n PHE 63 Cb 0.77 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.49 3f0g n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3f0g n ASP 74 N 0.00 -2.93 0.24 4.37 5.68 -1.26 -4.69 116.55 117.96 3f0g n ASP 74 Ca 0.00 -0.37 0.07 0.00 -0.50 0.00 0.00 54.79 53.99 3f0g n ASP 74 Cb 0.00 -0.89 0.59 0.00 -1.14 0.00 0.00 41.12 39.68 3f0g n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3f0g h SER 75 N -2.64 0.00 -0.62 -1.12 0.02 -1.96 -2.19 113.55 105.05 3f0g h SER 75 Ca -0.39 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.47 3f0g h SER 75 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 3f0g h SER 75 CO 0.26 0.12 0.02 0.03 -1.14 0.00 0.00 176.83 176.12 3f0g h ARG 76 N 0.00 1.09 -0.52 3.45 3.08 -1.98 0.19 114.38 119.69 3f0g h ARG 76 Ca -0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 3f0g h ARG 76 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3f0g h ARG 76 CO 0.02 1.05 0.28 0.00 -1.07 0.00 0.00 179.97 180.25 3f0g h ALA 77 N 1.01 0.66 -0.75 0.04 0.00 -1.84 -0.56 119.26 117.82 3f0g h ALA 77 Ca 0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3f0g h ALA 77 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3f0g h ALA 77 CO 0.03 0.18 0.26 -0.07 0.00 0.00 0.00 179.25 179.65 3f0g h LEU 78 N 0.69 1.07 -0.62 0.00 3.38 -1.12 -0.04 115.31 118.66 3f0g h LEU 78 Ca 0.18 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3f0g h LEU 78 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3f0g h LEU 78 CO -0.03 0.98 0.15 0.25 0.09 0.00 0.00 178.44 179.88 3f0g h LEU 79 N 1.10 0.94 -0.72 1.67 5.85 -0.41 0.48 115.31 124.22 3f0g h LEU 79 Ca 0.24 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3f0g h LEU 79 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3f0g h LEU 79 CO -0.01 0.93 0.25 0.03 -0.34 0.00 0.00 178.44 179.30 3f0g h ARG 80 N 0.90 1.11 -0.68 1.25 3.08 -0.87 -0.68 114.38 118.48 3f0g h ARG 80 Ca 0.19 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3f0g h ARG 80 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3f0g h ARG 80 CO 0.00 0.93 0.13 1.49 -1.07 0.00 0.00 179.97 181.46 3f0g h GLU 81 N 1.06 1.12 -0.26 0.04 4.57 -0.62 -2.44 114.58 118.05 3f0g h GLU 81 Ca 0.24 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3f0g h GLU 81 Cb 0.27 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 3f0g h GLU 81 CO -0.01 1.01 -0.10 0.00 -1.18 0.00 0.00 179.01 178.72 3f0g h ALA 83 N 1.18 1.44 -0.31 0.00 0.00 -0.93 -1.10 119.26 119.54 3f0g h ALA 83 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3f0g h ALA 83 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3f0g h ALA 83 CO -0.30 0.32 0.20 1.03 0.00 0.00 0.00 179.25 180.50 3f0g h SER 84 N 1.07 0.34 -0.34 0.00 0.87 -0.94 -1.39 113.55 113.16 3f0g h SER 84 Ca 0.46 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.89 3f0g h SER 84 Cb 0.33 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3f0g h SER 84 CO -0.22 0.25 -0.23 0.03 -0.53 0.00 0.00 176.83 176.12 3f0g h ARG 85 N 0.41 0.84 -0.25 2.24 3.08 -0.83 0.39 114.38 120.27 3f0g h ARG 85 Ca 0.12 -0.35 0.02 0.00 0.07 0.00 0.00 59.98 59.84 3f0g h ARG 85 Cb -0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3f0g h ARG 85 CO -0.03 0.99 0.09 0.28 -1.07 0.00 0.00 179.97 180.22 3f0g h VAL 86 N 0.73 0.94 -0.71 2.04 2.07 -1.03 -0.77 116.25 119.51 3f0g h VAL 86 Ca 0.10 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3f0g h VAL 86 Cb 0.77 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3f0g h VAL 86 CO 0.06 0.04 0.17 0.00 0.02 0.00 0.00 177.57 177.86 3f0g h ALA 87 N 1.15 0.95 -0.70 1.67 0.00 -1.07 -2.34 119.26 118.92 3f0g h ALA 87 Ca 0.11 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3f0g h ALA 87 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3f0g h ALA 87 CO -0.11 0.67 0.46 0.37 0.00 0.00 0.00 179.25 180.64 3f0g h GLN 88 N 1.08 0.63 0.00 0.00 5.75 -0.50 0.13 115.11 122.20 3f0g h GLN 88 Ca 0.22 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3f0g h GLN 88 Cb 0.38 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3f0g h GLN 88 CO 0.00 0.42 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 3f0g n ALA 89 N -2.47 1.94 0.00 3.38 0.00 -0.33 -4.89 120.51 118.14 3f0g n ALA 89 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3f0g n ALA 89 Cb 0.29 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3f0g n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f0g n GLY 90 N 0.61 1.02 3.76 0.00 0.00 0.45 -5.09 105.19 105.94 3f0g n GLY 90 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3f0g n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f0g s PHE 91 N -2.00 3.21 -0.07 1.61 0.08 -0.91 -4.34 117.98 115.58 3f0g s PHE 91 Ca 0.00 0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.21 3f0g s PHE 91 Cb 0.00 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3f0g s PHE 91 CO 0.00 0.52 -0.07 0.00 -0.10 0.00 0.00 175.22 175.57 3f0g s ALA 92 N -1.21 2.98 -0.07 5.36 0.00 0.91 -3.70 121.76 126.03 3f0g s ALA 92 Ca 0.23 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 3f0g s ALA 92 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3f0g s ALA 92 CO 0.15 0.57 0.87 0.42 0.00 0.00 0.00 175.76 177.78 3f0g s ILE 93 N -0.82 4.91 -0.24 0.00 1.01 -1.26 -0.90 121.20 123.91 3f0g s ILE 93 Ca 0.13 1.80 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 3f0g s ILE 93 Cb -0.11 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 3f0g s ILE 93 CO 0.02 0.14 -0.06 0.54 0.00 0.00 0.00 174.94 175.57 3f0g n ARG 94 N 4.29 0.57 -3.53 2.79 5.12 0.11 -4.98 116.66 121.03 3f0g n ARG 94 Ca 0.04 0.43 -0.11 0.00 -1.93 0.00 0.00 57.85 56.28 3f0g n ARG 94 Cb 0.50 -1.63 -0.03 0.00 -1.16 0.00 0.00 32.46 30.15 3f0g n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3f0g s ASN 95 N -7.08 -0.45 -0.05 0.55 4.22 -1.16 -4.86 114.94 106.12 3f0g s ASN 95 Ca -0.33 -0.17 0.03 0.00 -2.14 0.00 0.00 52.86 50.25 3f0g s ASN 95 Cb 0.10 0.59 0.01 0.00 1.28 0.00 0.00 41.25 43.23 3f0g s ASN 95 CO 0.53 -1.00 -0.12 -0.69 -2.04 0.00 0.00 177.10 173.78 3f0g s VAL 96 N -3.79 1.10 0.20 3.54 1.01 -0.64 -1.81 120.40 120.01 3f0g s VAL 96 Ca 0.03 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.62 3f0g s VAL 96 Cb -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3f0g s VAL 96 CO -0.10 0.34 -0.21 -0.62 0.00 0.00 0.00 175.10 174.51 3f0g s ASP 97 N 0.41 3.16 0.15 3.32 2.15 -0.48 -1.28 116.67 124.11 3f0g s ASP 97 Ca -0.09 -0.91 -0.24 0.00 0.43 0.00 0.00 52.55 51.74 3f0g s ASP 97 Cb -0.13 -0.22 0.07 0.00 -0.30 0.00 0.00 42.92 42.33 3f0g s ASP 97 CO 0.02 0.04 0.67 -0.94 -0.17 0.00 0.00 175.17 174.79 3f0g s SER 98 N -2.87 -0.48 -0.02 -0.34 1.04 -0.89 -0.86 113.70 109.27 3f0g s SER 98 Ca 0.21 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3f0g s SER 98 Cb -0.06 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3f0g s SER 98 CO 0.10 -0.97 -0.00 -0.89 0.98 0.00 0.00 173.24 172.45 3f0g s THR 99 N -3.67 0.14 -0.20 2.02 2.01 0.17 -0.61 115.64 115.51 3f0g s THR 99 Ca 0.03 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 3f0g s THR 99 Cb -0.02 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3f0g s THR 99 CO -0.09 0.11 0.10 -0.63 -0.69 0.00 0.00 174.62 173.42 3f0g s ILE 100 N 0.75 5.08 -0.35 1.82 1.01 0.12 -0.60 121.20 129.02 3f0g s ILE 100 Ca -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 3f0g s ILE 100 Cb -0.10 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.09 3f0g s ILE 100 CO -0.01 0.43 0.14 -0.63 0.00 0.00 0.00 174.94 174.87 3f0g s ILE 101 N 0.53 4.03 -0.16 2.92 1.01 0.34 -0.19 121.20 129.69 3f0g s ILE 101 Ca 0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 3f0g s ILE 101 Cb -0.12 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3f0g s ILE 101 CO 0.00 -0.22 0.37 0.00 0.00 0.00 0.00 174.94 175.09 3f0g s ALA 102 N 1.44 -0.92 0.11 9.38 0.00 -0.11 -1.90 121.76 129.76 3f0g s ALA 102 Ca -0.00 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 3f0g s ALA 102 Cb -0.20 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3f0g s ALA 102 CO 0.04 -0.33 1.52 0.37 0.00 0.00 0.00 175.76 177.36 3f0g h GLN 103 N 7.33 0.63 -3.69 0.00 5.75 -1.79 -3.37 115.11 119.97 3f0g h GLN 103 Ca -0.34 -0.23 -0.16 0.00 -0.15 0.00 0.00 58.65 57.77 3f0g h GLN 103 Cb 1.16 -0.04 -0.22 0.00 1.07 0.00 0.00 27.48 29.46 3f0g h GLN 103 CO 0.28 0.79 -0.59 0.00 -2.65 0.00 0.00 178.83 176.67 3f0g s ALA 104 N -4.84 -0.14 0.54 3.38 0.00 -1.26 -4.78 121.76 114.66 3f0g s ALA 104 Ca -0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3f0g s ALA 104 Cb 0.09 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.36 3f0g s ALA 104 CO 0.79 -0.17 0.41 -0.35 0.00 0.00 0.00 175.76 176.44 3f0g n PRO 105 N 1.72 0.29 -1.75 0.00 -0.04 -1.26 -5.06 135.00 128.90 3f0g n PRO 105 Ca -0.22 -1.08 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 3f0g n PRO 105 Cb 0.56 -0.28 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 3f0g n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3f0g s LYS 106 N -3.51 4.13 -0.03 0.54 -0.14 -1.26 -4.92 119.74 114.56 3f0g s LYS 106 Ca 0.27 2.59 0.11 0.00 -1.36 0.00 0.00 55.97 57.58 3f0g s LYS 106 Cb -0.01 -3.08 -0.17 0.00 -1.68 0.00 0.00 37.83 32.88 3f0g s LYS 106 CO 0.18 -0.74 0.22 1.28 -0.76 0.00 0.00 175.35 175.53 3f0g n LEU 107 N 4.00 0.00 -0.22 3.17 4.77 -1.26 -4.73 117.00 122.72 3f0g n LEU 107 Ca 0.16 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.15 3f0g n LEU 107 Cb 0.35 0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.57 3f0g n LEU 107 CO 0.64 0.03 0.78 0.00 -1.33 0.00 0.00 177.39 177.51 3f0g h ALA 108 N 0.97 0.54 0.00 -1.18 0.00 -1.99 -0.46 119.26 117.15 3f0g h ALA 108 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f0g h ALA 108 Cb 0.66 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3f0g h ALA 108 CO 0.00 -0.42 0.00 -2.30 0.00 0.00 0.00 179.25 176.53 3f0g n PRO 109 N -5.38 0.17 0.00 0.00 -0.02 -1.26 -2.42 135.00 126.09 3f0g n PRO 109 Ca 0.09 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3f0g n PRO 109 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 3f0g n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3f0g n HIS 110 N -1.29 0.00 -0.12 6.00 8.25 -0.21 -4.74 115.22 123.12 3f0g n HIS 110 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 3f0g n HIS 110 Cb 0.10 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.24 3f0g n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3f0g h ILE 111 N 0.52 0.83 -0.57 1.59 1.08 -1.18 -2.40 117.51 117.37 3f0g h ILE 111 Ca 0.00 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3f0g h ILE 111 Cb 0.25 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3f0g h ILE 111 CO 0.00 0.05 0.14 0.44 -0.69 0.00 0.00 178.15 178.09 3f0g h ASP 112 N 0.25 0.82 -0.46 1.72 3.32 -1.85 -0.26 116.42 119.95 3f0g h ASP 112 Ca 0.19 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 3f0g h ASP 112 Cb 0.21 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3f0g h ASP 112 CO -0.23 0.80 -0.23 0.00 -1.72 0.00 0.00 179.24 177.86 3f0g h ALA 113 N 1.31 0.69 -0.19 3.45 0.00 -1.84 0.19 119.26 122.87 3f0g h ALA 113 Ca 0.19 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3f0g h ALA 113 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3f0g h ALA 113 CO -0.00 0.67 0.05 0.52 0.00 0.00 0.00 179.25 180.49 3f0g h MET 114 N 0.84 0.12 -0.90 0.00 2.86 -1.07 -0.74 114.93 116.04 3f0g h MET 114 Ca 0.10 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3f0g h MET 114 Cb 0.81 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 3f0g h MET 114 CO 0.07 0.08 0.57 0.00 1.06 0.00 0.00 176.91 178.69 3f0g h ARG 115 N 0.13 1.04 -0.40 1.72 3.08 -0.83 -1.38 114.38 117.74 3f0g h ARG 115 Ca 0.09 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3f0g h ARG 115 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3f0g h ARG 115 CO -0.11 0.69 0.12 0.00 -1.07 0.00 0.00 179.97 179.60 3f0g h ALA 116 N 1.40 0.52 -0.38 0.04 0.00 -0.61 -1.15 119.26 119.08 3f0g h ALA 116 Ca 0.38 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3f0g h ALA 116 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3f0g h ALA 116 CO -0.15 0.17 0.19 -0.91 0.00 0.00 0.00 179.25 178.55 3f0g h ASN 117 N 0.49 0.28 -0.24 0.00 2.35 -0.72 -1.84 115.58 115.90 3f0g h ASN 117 Ca 0.13 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3f0g h ASN 117 Cb 0.27 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3f0g h ASN 117 CO -0.00 0.21 0.03 0.40 -1.65 0.00 0.00 177.43 176.42 3f0g h ILE 118 N 0.39 1.23 -0.52 2.81 2.04 -1.16 -1.38 117.51 120.92 3f0g h ILE 118 Ca 0.16 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3f0g h ILE 118 Cb 0.07 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3f0g h ILE 118 CO -0.11 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.59 3f0g h ALA 119 N 0.84 0.67 0.05 1.87 0.00 -1.16 -0.89 119.26 120.64 3f0g h ALA 119 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f0g h ALA 119 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3f0g h ALA 119 CO 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.24 3f0g h ALA 120 N 1.24 -0.06 -0.46 0.00 0.00 -1.26 0.27 119.26 118.99 3f0g h ALA 120 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3f0g h ALA 120 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3f0g h ALA 120 CO -0.10 -0.47 0.30 -0.44 0.00 0.00 0.00 179.25 178.53 3f0g h ASP 121 N -0.18 0.53 -0.06 0.00 3.32 -1.00 -2.23 116.42 116.79 3f0g h ASP 121 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3f0g h ASP 121 Cb 0.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3f0g h ASP 121 CO 0.01 0.38 0.00 0.18 -1.72 0.00 0.00 179.24 178.09 3f0g n LEU 122 N -4.47 2.54 -3.58 1.55 4.77 -0.36 -4.50 117.00 112.95 3f0g n LEU 122 Ca 0.04 -0.87 -0.22 0.00 -0.03 0.00 0.00 56.01 54.92 3f0g n LEU 122 Cb 0.06 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3f0g n LEU 122 CO 0.35 0.44 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.14 3f0g n ASP 123 N 0.97 -3.31 -4.27 -1.43 2.03 -0.41 -4.98 116.55 105.15 3f0g n ASP 123 Ca 0.16 -0.83 -0.22 0.00 0.52 0.00 0.00 54.79 54.42 3f0g n ASP 123 Cb 0.52 -4.22 -0.12 0.00 -0.72 0.00 0.00 41.12 36.58 3f0g n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3f0g s LEU 124 N -6.34 2.32 0.67 -2.67 1.43 0.80 -5.03 118.68 109.87 3f0g s LEU 124 Ca 0.21 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 3f0g s LEU 124 Cb -0.05 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.39 3f0g s LEU 124 CO 0.80 0.00 1.13 -2.16 0.23 0.00 0.00 176.35 176.36 3f0g s PRO 125 N -2.07 2.67 0.50 1.29 0.04 -1.26 -4.40 135.00 131.76 3f0g s PRO 125 Ca 0.06 1.49 0.22 0.00 0.04 0.00 0.00 61.00 62.82 3f0g s PRO 125 Cb -0.09 -1.92 1.28 0.00 0.04 0.00 0.00 34.50 33.81 3f0g s PRO 125 CO 0.04 -1.37 1.98 -0.07 0.04 0.00 0.00 177.00 177.62 3f0g h LEU 126 N 0.01 0.12 0.00 -3.56 3.38 -1.93 -2.23 115.31 111.10 3f0g h LEU 126 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3f0g h LEU 126 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3f0g h LEU 126 CO 0.53 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.23 3f0g n ASP 127 N -4.41 0.00 -0.82 -0.43 5.75 -1.26 -2.13 116.55 113.25 3f0g n ASP 127 Ca 0.11 -0.20 0.07 0.00 -0.01 0.00 0.00 54.79 54.76 3f0g n ASP 127 Cb 0.56 -0.22 0.20 0.00 -1.03 0.00 0.00 41.12 40.63 3f0g n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f0g n ARG 128 N -1.22 2.94 -4.29 0.11 1.74 -0.84 -4.94 116.66 110.16 3f0g n ARG 128 Ca 0.12 -2.30 -0.24 0.00 -0.77 0.00 0.00 57.85 54.66 3f0g n ARG 128 Cb 0.16 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 29.99 3f0g n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f0g s VAL 129 N -1.37 0.91 -0.02 1.55 1.01 -0.91 -1.62 120.40 119.95 3f0g s VAL 129 Ca 0.31 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3f0g s VAL 129 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3f0g s VAL 129 CO 0.17 0.32 -0.07 0.21 0.00 0.00 0.00 175.10 175.73 3f0g s ASN 130 N 1.01 0.89 -0.07 3.32 2.47 -0.41 -4.97 114.94 117.18 3f0g s ASN 130 Ca -0.09 -0.13 0.02 0.00 0.42 0.00 0.00 52.86 53.08 3f0g s ASN 130 Cb -0.15 -0.20 0.02 0.00 -1.45 0.00 0.00 41.25 39.47 3f0g s ASN 130 CO -0.00 0.05 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.63 3f0g s VAL 131 N 0.14 1.06 0.23 -5.21 1.01 -1.26 -2.10 120.40 114.27 3f0g s VAL 131 Ca -0.02 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.66 3f0g s VAL 131 Cb -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3f0g s VAL 131 CO -0.00 0.34 -0.11 -0.54 0.00 0.00 0.00 175.10 174.79 3f0g s LYS 132 N 0.88 1.97 0.02 2.72 1.02 0.22 -4.97 119.74 121.60 3f0g s LYS 132 Ca -0.11 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.48 3f0g s LYS 132 Cb -0.15 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 3f0g s LYS 132 CO 0.01 0.39 -0.18 0.00 -0.92 0.00 0.00 175.35 174.65 3f0g s ALA 133 N -2.06 1.50 0.02 5.17 0.00 -1.26 0.13 121.76 125.26 3f0g s ALA 133 Ca 0.27 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3f0g s ALA 133 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3f0g s ALA 133 CO 0.16 0.34 0.02 0.15 0.00 0.00 0.00 175.76 176.42 3f0g s LYS 134 N -0.89 0.38 0.58 0.00 -0.14 0.74 -4.91 119.74 115.49 3f0g s LYS 134 Ca 0.06 -0.59 0.02 0.00 -1.36 0.00 0.00 55.97 54.10 3f0g s LYS 134 Cb -0.08 0.14 0.06 0.00 -1.68 0.00 0.00 37.83 36.27 3f0g s LYS 134 CO 0.01 -0.07 0.81 0.95 -0.76 0.00 0.00 175.35 176.28 3f0g s THR 135 N -1.58 2.54 -0.45 2.17 -4.23 -1.26 -0.93 115.64 111.90 3f0g s THR 135 Ca -0.14 -0.70 0.15 0.00 -1.18 0.00 0.00 61.69 59.82 3f0g s THR 135 Cb -0.08 -2.84 0.54 0.00 1.34 0.00 0.00 72.50 71.45 3f0g s THR 135 CO -0.01 0.00 1.45 -3.20 -0.54 0.00 0.00 174.62 172.32 3f0g n ASN 136 N -2.41 4.02 -4.06 3.99 5.15 -1.26 -4.85 115.26 115.84 3f0g n ASN 136 Ca 0.10 -2.74 -0.31 0.00 -0.60 0.00 0.00 54.58 51.03 3f0g n ASN 136 Cb 0.60 -0.50 -0.01 0.00 -0.53 0.00 0.00 39.78 39.33 3f0g n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3f0g n GLU 137 N 0.02 -3.75 -2.24 1.20 -0.58 -1.26 -1.75 120.64 112.28 3f0g n GLU 137 Ca 0.21 0.44 -0.21 0.00 -0.42 0.00 0.00 57.16 57.18 3f0g n GLU 137 Cb 0.84 -5.00 -0.03 0.00 -0.57 0.00 0.00 31.44 26.68 3f0g n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3f0g n LYS 138 N -4.45 -1.61 -4.20 3.49 5.02 -1.26 -4.99 118.16 110.16 3f0g n LYS 138 Ca -0.07 1.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.93 3f0g n LYS 138 Cb 0.57 -5.65 -0.10 0.00 -0.02 0.00 0.00 35.03 29.83 3f0g n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f0g s LEU 139 N -5.72 3.62 0.00 -0.35 1.43 -0.71 -4.67 118.68 112.28 3f0g s LEU 139 Ca 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3f0g s LEU 139 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3f0g s LEU 139 CO 0.00 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3f0g n GLY 140 N 3.17 -0.22 0.27 -3.19 0.00 -1.26 -1.42 105.19 102.54 3f0g n GLY 140 Ca -0.17 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 3f0g n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3f0g h TYR 141 N 0.00 0.66 -0.47 1.61 -0.00 -1.97 -0.64 116.97 116.16 3f0g h TYR 141 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 58.73 58.53 3f0g h TYR 141 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 36.73 36.53 3f0g h TYR 141 CO 0.00 0.66 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.59 3f0g h LEU 142 N 0.58 0.91 -0.99 0.10 3.38 -1.83 0.12 115.31 117.58 3f0g h LEU 142 Ca 0.11 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3f0g h LEU 142 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3f0g h LEU 142 CO 0.02 1.06 -0.45 1.23 0.09 0.00 0.00 178.44 180.39 3f0g h GLY 143 N 0.94 0.00 1.81 0.83 0.00 -0.87 -2.57 103.07 103.21 3f0g h GLY 143 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3f0g h GLY 143 CO 0.05 0.00 -0.08 0.54 0.00 0.00 0.00 176.54 177.06 3f0g n ARG 144 N -3.77 0.03 -1.25 4.80 1.74 -0.28 -4.38 116.66 113.56 3f0g n ARG 144 Ca -0.01 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3f0g n ARG 144 Cb 0.51 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3f0g n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f0g n GLY 145 N 1.49 0.50 0.14 -0.13 0.00 -0.83 -4.96 105.19 101.40 3f0g n GLY 145 Ca 0.07 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.32 3f0g n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f0g h GLU 146 N 0.00 0.00 0.00 1.61 5.08 -1.02 -3.44 114.58 116.81 3f0g h GLU 146 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3f0g h GLU 146 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3f0g h GLU 146 CO 0.00 0.00 0.44 0.41 -1.00 0.00 0.00 179.01 178.86 3f0g n GLY 147 N 1.23 0.77 3.08 -3.84 0.00 -1.25 -0.82 105.19 104.36 3f0g n GLY 147 Ca 0.05 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 3f0g n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f0g s ILE 148 N -2.20 1.08 0.10 -0.61 1.01 -0.14 -4.65 121.20 115.80 3f0g s ILE 148 Ca 0.17 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3f0g s ILE 148 Cb -0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3f0g s ILE 148 CO 0.04 0.32 -0.01 -0.70 0.00 0.00 0.00 174.94 174.58 3f0g s GLU 149 N -0.07 2.47 -0.01 2.79 2.12 -0.80 -1.59 118.70 123.61 3f0g s GLU 149 Ca 0.00 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.46 3f0g s GLU 149 Cb -0.08 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 3f0g s GLU 149 CO 0.00 0.52 -0.10 0.00 -0.54 0.00 0.00 175.26 175.15 3f0g s ALA 150 N -1.35 0.80 0.06 6.30 0.00 0.42 -0.51 121.76 127.49 3f0g s ALA 150 Ca 0.25 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.89 3f0g s ALA 150 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3f0g s ALA 150 CO 0.18 0.20 -0.27 -0.65 0.00 0.00 0.00 175.76 175.22 3f0g s GLN 151 N -0.24 1.71 -0.00 0.00 -0.21 0.23 -1.40 119.66 119.75 3f0g s GLN 151 Ca 0.04 -1.16 -0.07 0.00 0.02 0.00 0.00 55.36 54.18 3f0g s GLN 151 Cb -0.04 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.02 3f0g s GLN 151 CO -0.00 0.50 0.14 0.00 -2.12 0.00 0.00 175.29 173.81 3f0g s ALA 152 N -0.86 -0.34 0.02 6.09 0.00 -0.20 -0.65 121.76 125.81 3f0g s ALA 152 Ca 0.12 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3f0g s ALA 152 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3f0g s ALA 152 CO 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 175.76 175.48 3f0g s ALA 153 N -1.25 0.91 -0.04 0.00 0.00 -0.04 -0.21 121.76 121.12 3f0g s ALA 153 Ca -0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3f0g s ALA 153 Cb -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3f0g s ALA 153 CO 0.02 0.18 0.09 0.00 0.00 0.00 0.00 175.76 176.04 3f0g s ALA 154 N -0.61 -0.18 -0.13 0.00 0.00 -0.47 -1.38 121.76 118.99 3f0g s ALA 154 Ca 0.01 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 3f0g s ALA 154 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3f0g s ALA 154 CO 0.00 -0.08 -0.08 -1.17 0.00 0.00 0.00 175.76 174.43 3f0g s LEU 155 N 0.46 2.99 0.30 0.00 2.96 -0.75 -0.80 118.68 123.84 3f0g s LEU 155 Ca -0.03 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3f0g s LEU 155 Cb -0.05 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.89 3f0g s LEU 155 CO -0.02 0.19 0.04 0.68 -1.32 0.00 0.00 176.35 175.93 3f0g s VAL 156 N 0.20 1.11 -0.08 1.68 -7.23 -0.37 0.04 120.40 115.74 3f0g s VAL 156 Ca -0.05 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 3f0g s VAL 156 Cb -0.14 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.15 3f0g s VAL 156 CO 0.04 -0.08 0.28 0.54 -0.31 0.00 0.00 175.10 175.57 3f0g s VAL 157 N -3.36 0.02 -1.47 1.32 0.11 -0.08 -0.80 120.40 116.14 3f0g s VAL 157 Ca 0.35 -0.13 0.12 0.00 -2.93 0.00 0.00 61.98 59.38 3f0g s VAL 157 Cb 0.08 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.58 3f0g s VAL 157 CO 0.14 -0.07 0.87 -2.11 -3.33 0.00 0.00 175.10 170.60