#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 6.10 -4.80 7.83 2.03 -1.26 -5.01 116.55 121.44 3f0g n ASP 2 Ca 0.00 -3.32 -0.34 0.00 0.52 0.00 0.00 54.79 51.65 3f0g n ASP 2 Cb 0.00 -1.32 -0.05 0.00 -0.72 0.00 0.00 41.12 39.03 3f0g n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3f0g s PHE 3 N -2.04 3.20 0.00 -0.67 0.08 -1.26 -1.27 117.98 116.02 3f0g s PHE 3 Ca 0.33 1.61 -0.01 0.00 0.12 0.00 0.00 56.93 58.98 3f0g s PHE 3 Cb 0.04 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 3f0g s PHE 3 CO 0.07 -0.47 0.02 1.03 -0.10 0.00 0.00 175.22 175.77 3f0g s ARG 4 N -3.01 0.16 0.11 0.44 1.81 -0.17 -4.96 118.95 113.33 3f0g s ARG 4 Ca 0.63 -0.22 0.08 0.00 -1.72 0.00 0.00 55.73 54.49 3f0g s ARG 4 Cb -0.15 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3f0g s ARG 4 CO 0.19 -0.03 -0.12 0.96 -0.68 0.00 0.00 175.30 175.62 3f0g s ILE 5 N -0.61 3.20 0.09 1.52 -4.36 -1.26 -1.10 121.20 118.67 3f0g s ILE 5 Ca -0.07 -1.37 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 3f0g s ILE 5 Cb -0.04 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 3f0g s ILE 5 CO -0.00 0.09 -0.07 -0.83 0.24 0.00 0.00 174.94 174.37 3f0g s GLY 6 N -2.24 0.72 -0.00 6.27 0.00 -0.20 -4.03 107.32 107.84 3f0g s GLY 6 Ca 0.21 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3f0g s GLY 6 CO 0.13 -1.32 -0.04 -0.86 0.00 0.00 0.00 173.10 171.01 3f0g s GLN 7 N -3.36 0.31 0.04 2.90 1.03 -1.25 -1.45 119.66 117.88 3f0g s GLN 7 Ca 0.07 -0.12 0.07 0.00 0.04 0.00 0.00 55.36 55.42 3f0g s GLN 7 Cb 0.02 -0.31 -0.02 0.00 0.03 0.00 0.00 33.01 32.72 3f0g s GLN 7 CO -0.04 0.07 -0.19 0.20 -2.54 0.00 0.00 175.29 172.79 3f0g s GLY 8 N -0.01 1.03 -0.01 2.60 0.00 0.81 -4.08 107.32 107.66 3f0g s GLY 8 Ca 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3f0g s GLY 8 CO -0.00 -0.93 -0.03 -0.47 0.00 0.00 0.00 173.10 171.66 3f0g s TYR 9 N -0.81 0.38 -0.01 1.90 6.14 -1.26 -1.43 117.35 122.26 3f0g s TYR 9 Ca 0.06 -0.06 -0.18 0.00 0.64 0.00 0.00 57.07 57.53 3f0g s TYR 9 Cb -0.09 -0.31 0.03 0.00 0.42 0.00 0.00 41.96 42.02 3f0g s TYR 9 CO 0.02 -0.05 0.38 0.34 0.64 0.00 0.00 175.55 176.88 3f0g s ASP 10 N 0.25 -0.27 -0.14 4.32 2.15 -0.77 -4.70 116.67 117.51 3f0g s ASP 10 Ca -0.02 0.15 -0.12 0.00 0.43 0.00 0.00 52.55 52.99 3f0g s ASP 10 Cb -0.06 0.37 0.04 0.00 -0.30 0.00 0.00 42.92 42.97 3f0g s ASP 10 CO -0.00 -0.52 0.37 0.54 -0.17 0.00 0.00 175.17 175.39 3f0g s VAL 11 N -1.56 -0.01 0.03 1.11 0.11 -1.26 -0.87 120.40 117.95 3f0g s VAL 11 Ca -0.11 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3f0g s VAL 11 Cb -0.03 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3f0g s VAL 11 CO 0.04 0.01 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.75 3f0g s HIS 12 N 0.41 0.61 0.41 1.54 3.76 -0.97 -5.01 115.29 116.04 3f0g s HIS 12 Ca -0.02 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.26 3f0g s HIS 12 Cb -0.04 -0.37 -0.08 0.00 1.11 0.00 0.00 32.58 33.20 3f0g s HIS 12 CO -0.02 -0.06 1.21 -0.65 -0.85 0.00 0.00 174.74 174.37 3f0g s GLN 13 N -1.17 3.96 -0.32 1.40 -0.21 -1.26 -1.68 119.66 120.38 3f0g s GLN 13 Ca -0.07 1.94 -0.19 0.00 0.02 0.00 0.00 55.36 57.06 3f0g s GLN 13 Cb -0.08 -2.66 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 3f0g s GLN 13 CO 0.00 -0.42 0.56 -0.51 -2.12 0.00 0.00 175.29 172.80 3f0g s LEU 14 N -2.57 4.22 0.13 2.90 1.43 0.02 -1.03 118.68 123.78 3f0g s LEU 14 Ca 0.58 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.95 3f0g s LEU 14 Cb -0.33 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 3f0g s LEU 14 CO 0.41 -0.46 -0.12 0.68 0.23 0.00 0.00 176.35 177.09 3f0g s VAL 15 N 2.49 1.21 0.22 -1.59 -7.23 0.65 -4.84 120.40 111.32 3f0g s VAL 15 Ca 0.22 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.44 3f0g s VAL 15 Cb -0.15 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.07 3f0g s VAL 15 CO 0.12 -0.59 0.51 -2.16 -0.31 0.00 0.00 175.10 172.67 3f0g s PRO 16 N -3.20 3.72 -0.70 4.82 0.04 -1.26 -0.59 135.00 137.82 3f0g s PRO 16 Ca 0.12 0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.34 3f0g s PRO 16 Cb -0.01 -2.70 0.17 0.00 0.04 0.00 0.00 34.50 32.00 3f0g s PRO 16 CO 0.02 0.33 0.49 0.20 0.04 0.00 0.00 177.00 178.08 3f0g s GLY 17 N -2.55 2.94 0.15 0.56 0.00 -1.26 -5.01 107.32 102.15 3f0g s GLY 17 Ca 0.45 -3.83 0.04 0.00 0.00 0.00 0.00 44.72 41.38 3f0g s GLY 17 CO 0.24 1.08 0.17 0.50 0.00 0.00 0.00 173.10 175.09 3f0g s ARG 18 N -1.43 3.07 0.45 2.90 0.52 -1.24 -4.98 118.95 118.23 3f0g s ARG 18 Ca 0.25 -0.76 -0.21 0.00 -0.52 0.00 0.00 55.73 54.49 3f0g s ARG 18 Cb -0.05 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 3f0g s ARG 18 CO -0.16 0.51 1.01 -1.25 0.02 0.00 0.00 175.30 175.43 3f0g s PRO 19 N -3.04 3.99 -0.48 3.54 0.04 -1.26 -2.20 135.00 135.59 3f0g s PRO 19 Ca 0.32 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 3f0g s PRO 19 Cb -0.11 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.28 3f0g s PRO 19 CO 0.25 -0.26 0.65 -1.17 0.04 0.00 0.00 177.00 176.50 3f0g s LEU 20 N -3.25 4.74 -0.20 -3.56 2.96 -1.26 -3.86 118.68 114.25 3f0g s LEU 20 Ca 0.64 -0.67 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3f0g s LEU 20 Cb -0.15 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.00 3f0g s LEU 20 CO 0.19 -0.87 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.56 3f0g s ILE 21 N 2.78 2.25 -0.05 6.68 1.01 -1.26 -0.30 121.20 132.30 3f0g s ILE 21 Ca 0.19 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3f0g s ILE 21 Cb -0.17 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3f0g s ILE 21 CO 0.15 0.39 -0.04 -0.63 0.00 0.00 0.00 174.94 174.81 3f0g s ILE 22 N 1.27 0.55 -1.73 2.92 1.01 -0.84 -4.26 121.20 120.13 3f0g s ILE 22 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3f0g s ILE 22 Cb -0.15 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3f0g s ILE 22 CO -0.10 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3f0g n GLY 23 N 4.31 -0.26 2.49 6.18 0.00 -1.26 -1.95 105.19 114.70 3f0g n GLY 23 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.98 0.61 3.41 -0.02 0.00 -1.26 -4.37 105.19 102.58 3f0g n GLY 24 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 4.08 -0.04 1.61 1.01 -0.82 -5.05 120.40 118.63 3f0g s VAL 25 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3f0g s VAL 25 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3f0g s VAL 25 CO 0.00 0.36 1.28 -0.89 0.00 0.00 0.00 175.10 175.84 3f0g s THR 26 N 1.58 4.06 -0.15 3.92 2.01 -1.26 -1.98 115.64 123.82 3f0g s THR 26 Ca 0.06 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.47 3f0g s THR 26 Cb -0.15 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3f0g s THR 26 CO 0.02 -0.01 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.14 3f0g s ILE 27 N 2.38 2.53 -0.04 1.82 1.01 0.58 -5.01 121.20 124.47 3f0g s ILE 27 Ca 0.59 -0.82 -0.33 0.00 0.00 0.00 0.00 60.65 60.09 3f0g s ILE 27 Cb -0.27 -2.06 -0.11 0.00 0.01 0.00 0.00 42.46 40.04 3f0g s ILE 27 CO 0.23 0.52 1.91 -2.65 0.00 0.00 0.00 174.94 174.95 3f0g n PRO 28 N 4.04 2.40 -3.54 2.79 -0.02 -1.26 -4.22 135.00 135.19 3f0g n PRO 28 Ca -0.19 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 3f0g n PRO 28 Cb 0.52 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.14 -0.51 0.17 6.00 5.04 -1.26 -4.98 117.35 125.94 3f0g s TYR 29 Ca 0.91 0.83 0.22 0.00 -2.44 0.00 0.00 57.07 56.59 3f0g s TYR 29 Cb -0.61 0.44 0.84 0.00 0.35 0.00 0.00 41.96 42.98 3f0g s TYR 29 CO 0.48 -0.50 1.80 1.05 -1.34 0.00 0.00 175.55 177.04 3f0g h GLU 30 N 2.72 0.00 -5.68 4.97 9.09 -1.93 -3.45 114.58 120.29 3f0g h GLU 30 Ca -0.23 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.55 3f0g h GLU 30 Cb 1.16 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.13 3f0g h GLU 30 CO 0.35 0.29 -0.60 1.03 0.05 0.00 0.00 179.01 180.13 3f0g s ARG 31 N -3.67 1.97 0.19 1.06 0.52 -1.26 -4.68 118.95 113.08 3f0g s ARG 31 Ca 0.00 -2.10 -0.11 0.00 -0.52 0.00 0.00 55.73 53.01 3f0g s ARG 31 Cb 0.11 -1.65 -0.00 0.00 0.52 0.00 0.00 34.95 33.92 3f0g s ARG 31 CO 0.66 -0.05 0.35 0.20 0.02 0.00 0.00 175.30 176.48 3f0g s GLY 32 N -3.72 0.47 0.17 -3.53 0.00 0.24 -4.06 107.32 96.89 3f0g s GLY 32 Ca 0.35 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 3f0g s GLY 32 CO 0.18 -0.74 1.03 1.08 0.00 0.00 0.00 173.10 174.65 3f0g s LEU 33 N -2.98 4.52 -0.24 0.66 1.43 -1.25 -0.25 118.68 120.57 3f0g s LEU 33 Ca 0.18 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 3f0g s LEU 33 Cb 0.02 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3f0g s LEU 33 CO 0.02 -0.10 0.40 -0.22 0.23 0.00 0.00 176.35 176.68 3f0g s LEU 34 N -0.43 4.09 0.32 1.79 2.96 -0.20 -4.72 118.68 122.49 3f0g s LEU 34 Ca 0.47 0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 54.61 3f0g s LEU 34 Cb -0.27 -2.49 0.05 0.00 0.50 0.00 0.00 46.19 43.98 3f0g s LEU 34 CO 0.33 -0.15 0.81 -0.83 -1.32 0.00 0.00 176.35 175.19 3f0g s GLY 35 N 1.37 0.18 0.24 7.98 0.00 -1.26 -4.36 107.32 111.47 3f0g s GLY 35 Ca 0.17 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.39 3f0g s GLY 35 CO 0.09 0.06 1.59 0.45 0.00 0.00 0.00 173.10 175.28 3f0g h HIS 36 N 2.00 0.37 -0.93 1.90 -0.00 -2.00 -3.45 115.15 113.04 3f0g h HIS 36 Ca -0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3f0g h HIS 36 Cb 1.25 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3f0g h HIS 36 CO 1.06 0.78 0.00 -1.13 -0.00 0.00 0.00 177.93 178.64 3f0g n SER 37 N -3.93 0.00 0.00 2.45 3.41 -1.26 -4.95 113.62 109.35 3f0g n SER 37 Ca -0.02 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 3f0g n SER 37 Cb 0.58 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.13 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 -3.00 4.04 5.68 -1.26 -4.91 116.55 117.10 3f0g n ASP 38 Ca 0.00 -0.24 -0.22 0.00 -0.50 0.00 0.00 54.79 53.83 3f0g n ASP 38 Cb 0.00 -0.20 0.03 0.00 -1.14 0.00 0.00 41.12 39.81 3f0g n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f0g n ALA 39 N -1.20 -0.96 -2.07 2.12 0.00 -1.26 -4.74 120.51 112.41 3f0g n ALA 39 Ca 0.13 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 3f0g n ALA 39 Cb 0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 19.45 15.94 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 -2.64 5.29 0.27 0.00 -1.08 -1.26 -4.83 116.67 112.41 3f0g s ASP 40 Ca 0.29 0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 52.37 3f0g s ASP 40 Cb -0.13 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.17 3f0g s ASP 40 CO 0.35 -2.43 1.79 1.62 0.52 0.00 0.00 175.17 177.02 3f0g h VAL 41 N 6.94 1.23 -0.09 1.11 3.04 -1.90 -1.25 116.25 125.33 3f0g h VAL 41 Ca -0.18 -0.92 -0.02 0.00 -1.01 0.00 0.00 66.70 64.57 3f0g h VAL 41 Cb 1.12 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3f0g h VAL 41 CO 1.22 0.33 -0.01 0.25 -1.01 0.00 0.00 177.57 178.35 3f0g h LEU 42 N 0.74 0.17 -0.89 3.16 5.85 -1.90 -2.37 115.31 120.07 3f0g h LEU 42 Ca 0.15 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 3f0g h LEU 42 Cb 0.39 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3f0g h LEU 42 CO 0.01 0.47 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.19 3f0g h LEU 43 N -0.14 0.43 -0.12 2.25 3.38 -1.92 -1.69 115.31 117.50 3f0g h LEU 43 Ca 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3f0g h LEU 43 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3f0g h LEU 43 CO 0.01 0.74 0.05 0.45 0.09 0.00 0.00 178.44 179.78 3f0g h HIS 44 N 0.36 0.19 -0.39 1.13 3.86 -1.23 0.46 115.15 119.54 3f0g h HIS 44 Ca 0.04 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3f0g h HIS 44 Cb 0.75 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3f0g h HIS 44 CO 0.02 0.27 0.23 0.00 0.86 0.00 0.00 177.93 179.32 3f0g h ALA 45 N 0.90 0.49 -0.36 2.45 0.00 -1.28 -0.13 119.26 121.32 3f0g h ALA 45 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f0g h ALA 45 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3f0g h ALA 45 CO -0.00 -0.10 0.23 0.82 0.00 0.00 0.00 179.25 180.19 3f0g h ILE 46 N 0.48 1.11 -0.51 0.00 2.04 -1.26 -1.38 117.51 117.98 3f0g h ILE 46 Ca 0.15 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3f0g h ILE 46 Cb -0.01 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3f0g h ILE 46 CO -0.06 0.11 0.18 0.74 0.00 0.00 0.00 178.15 179.11 3f0g h THR 47 N 0.47 0.82 -0.31 -0.27 2.02 -0.58 -1.63 112.91 113.43 3f0g h THR 47 Ca 0.13 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 3f0g h THR 47 Cb -0.02 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3f0g h THR 47 CO -0.03 0.06 -0.27 0.44 0.37 0.00 0.00 175.52 176.09 3f0g h ASP 48 N 0.35 0.65 -0.80 4.18 3.32 -0.87 -1.85 116.42 121.41 3f0g h ASP 48 Ca 0.24 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3f0g h ASP 48 Cb 0.27 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3f0g h ASP 48 CO -0.25 0.90 0.35 0.00 -1.72 0.00 0.00 179.24 178.52 3f0g h ALA 49 N 1.15 1.11 -0.25 3.45 0.00 -0.81 0.10 119.26 124.02 3f0g h ALA 49 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3f0g h ALA 49 Cb 0.75 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f0g h ALA 49 CO 0.06 0.65 -0.27 -0.07 0.00 0.00 0.00 179.25 179.63 3f0g h LEU 50 N 1.16 0.67 -1.10 0.00 3.38 -1.14 -0.94 115.31 117.33 3f0g h LEU 50 Ca 0.27 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3f0g h LEU 50 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3f0g h LEU 50 CO -0.03 1.01 0.12 -0.26 0.09 0.00 0.00 178.44 179.37 3f0g h PHE 51 N 0.33 0.78 -0.32 1.13 0.04 -1.21 -2.30 116.94 115.39 3f0g h PHE 51 Ca 0.04 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3f0g h PHE 51 Cb 0.83 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3f0g h PHE 51 CO 0.08 0.66 0.11 0.78 -0.60 0.00 0.00 178.31 179.33 3f0g h GLY 52 N 0.93 0.52 1.13 -1.45 0.00 -0.63 0.34 103.07 103.91 3f0g h GLY 52 Ca 0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3f0g h GLY 52 CO -0.00 0.28 0.31 0.00 0.00 0.00 0.00 176.54 177.13 3f0g h ALA 53 N 0.95 1.13 -0.01 3.60 0.00 -1.04 -2.18 119.26 121.70 3f0g h ALA 53 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f0g h ALA 53 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3f0g h ALA 53 CO -0.00 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3f0g n ALA 54 N -2.44 2.71 -3.71 0.00 0.00 -0.88 -4.60 120.51 111.60 3f0g n ALA 54 Ca 0.07 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 3f0g n ALA 54 Cb 0.17 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.53 -1.71 -0.24 0.00 0.00 -0.31 -4.91 120.51 112.80 3f0g n ALA 55 Ca 0.18 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.74 3f0g n ALA 55 Cb 0.28 -3.23 0.24 0.00 0.00 0.00 0.00 19.45 16.74 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 -4.47 3.46 0.00 0.00 4.77 0.10 -5.02 117.00 115.85 3f0g n LEU 56 Ca -0.16 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 3f0g n LEU 56 Cb 0.62 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3f0g n LEU 56 CO 0.69 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 3f0g n GLY 57 N 1.14 0.97 3.50 -0.72 0.00 -1.24 -4.94 105.19 103.91 3f0g n GLY 57 Ca 0.18 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 0.85 0.09 1.61 1.47 -1.26 -3.86 116.67 111.58 3f0g s ASP 58 Ca 0.00 -1.46 -0.22 0.00 1.18 0.00 0.00 52.55 52.05 3f0g s ASP 58 Cb 0.00 0.67 -0.12 0.00 -0.34 0.00 0.00 42.92 43.12 3f0g s ASP 58 CO 0.00 -1.30 1.71 0.16 0.68 0.00 0.00 175.17 176.42 3f0g h ILE 59 N 2.11 1.05 0.00 2.11 -0.00 -1.92 -2.71 117.51 118.15 3f0g h ILE 59 Ca -0.28 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.44 3f0g h ILE 59 Cb 1.24 1.01 0.00 0.00 -0.00 0.00 0.00 36.82 39.07 3f0g h ILE 59 CO 0.39 0.05 0.00 0.61 -0.00 0.00 0.00 178.15 179.19 3f0g n GLY 60 N -0.99 0.84 0.00 0.16 0.00 -1.26 -1.76 105.19 102.18 3f0g n GLY 60 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3f0g n GLY 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f0g n ARG 61 N 0.72 2.40 -0.12 1.61 0.63 -1.02 -4.88 116.66 116.01 3f0g n ARG 61 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 3f0g n ARG 61 Cb 0.20 -0.80 -0.13 0.00 0.45 0.00 0.00 32.46 32.18 3f0g n ARG 61 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3f0g n HIS 62 N -1.25 0.00 -2.78 -0.14 8.25 -0.72 -5.03 115.22 113.54 3f0g n HIS 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f0g n HIS 62 Cb 0.21 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.35 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 -3.09 -0.15 -0.06 4.41 3.72 -1.13 -5.16 117.46 116.00 3f0g n PHE 63 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 3f0g n PHE 63 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 3f0g n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f0g n ALA 73 N -3.00 -1.91 -1.41 4.37 0.00 -1.26 -4.80 120.51 112.49 3f0g n ALA 73 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3f0g n ALA 73 Cb 0.00 -0.53 0.20 0.00 0.00 0.00 0.00 19.45 19.12 3f0g n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f0g s ASP 74 N -1.77 2.12 0.39 0.00 1.47 -1.26 -4.82 116.67 112.81 3f0g s ASP 74 Ca 0.00 0.62 0.12 0.00 1.18 0.00 0.00 52.55 54.47 3f0g s ASP 74 Cb 0.00 -0.90 0.81 0.00 -0.34 0.00 0.00 42.92 42.49 3f0g s ASP 74 CO 0.00 -3.38 1.90 0.28 0.68 0.00 0.00 175.17 174.65 3f0g h SER 75 N -2.07 0.09 -0.39 2.11 0.02 -1.97 -1.87 113.55 109.46 3f0g h SER 75 Ca -0.46 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 3f0g h SER 75 Cb 1.29 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3f0g h SER 75 CO 0.42 0.33 -0.15 0.03 -1.14 0.00 0.00 176.83 176.33 3f0g h ARG 76 N 0.09 0.79 -0.70 3.45 3.08 -1.98 0.13 114.38 119.24 3f0g h ARG 76 Ca 0.02 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3f0g h ARG 76 Cb 0.47 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3f0g h ARG 76 CO 0.03 0.95 0.41 0.00 -1.07 0.00 0.00 179.97 180.29 3f0g h ALA 77 N 0.82 0.90 -0.37 0.04 0.00 -1.85 -0.63 119.26 118.17 3f0g h ALA 77 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3f0g h ALA 77 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3f0g h ALA 77 CO 0.05 0.39 -0.13 -0.07 0.00 0.00 0.00 179.25 179.49 3f0g h LEU 78 N 0.96 0.65 -0.58 0.00 3.38 -1.14 0.24 115.31 118.82 3f0g h LEU 78 Ca 0.25 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3f0g h LEU 78 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3f0g h LEU 78 CO -0.04 0.80 -0.00 0.25 0.09 0.00 0.00 178.44 179.54 3f0g h LEU 79 N 0.60 1.00 -0.50 1.67 5.85 -0.50 0.17 115.31 123.60 3f0g h LEU 79 Ca 0.10 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3f0g h LEU 79 Cb 0.57 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3f0g h LEU 79 CO 0.04 1.06 0.29 0.03 -0.34 0.00 0.00 178.44 179.52 3f0g h ARG 80 N 0.91 0.69 -0.74 1.25 3.08 -0.77 -0.69 114.38 118.11 3f0g h ARG 80 Ca 0.16 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3f0g h ARG 80 Cb 0.55 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3f0g h ARG 80 CO 0.03 0.53 0.28 1.49 -1.07 0.00 0.00 179.97 181.22 3f0g h GLU 81 N 0.67 1.12 -0.30 0.04 4.57 -0.76 -1.90 114.58 118.03 3f0g h GLU 81 Ca 0.18 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3f0g h GLU 81 Cb 0.02 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 3f0g h GLU 81 CO -0.03 0.93 0.04 0.00 -1.18 0.00 0.00 179.01 178.77 3f0g h ALA 83 N 1.23 1.49 -0.13 0.00 0.00 -0.83 -1.21 119.26 119.81 3f0g h ALA 83 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3f0g h ALA 83 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3f0g h ALA 83 CO -0.20 0.44 0.08 1.03 0.00 0.00 0.00 179.25 180.60 3f0g h SER 84 N 1.02 0.16 -0.26 0.00 0.87 -0.92 -2.02 113.55 112.39 3f0g h SER 84 Ca 0.32 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 3f0g h SER 84 Cb -0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3f0g h SER 84 CO -0.09 0.17 -0.14 0.03 -0.53 0.00 0.00 176.83 176.27 3f0g h ARG 85 N 0.14 0.69 -0.12 2.24 3.08 -0.88 0.08 114.38 119.61 3f0g h ARG 85 Ca 0.05 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3f0g h ARG 85 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3f0g h ARG 85 CO -0.01 0.80 0.08 0.28 -1.07 0.00 0.00 179.97 180.05 3f0g h VAL 86 N 0.62 1.03 -0.59 2.04 2.07 -1.16 -1.93 116.25 118.32 3f0g h VAL 86 Ca 0.10 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3f0g h VAL 86 Cb 0.59 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3f0g h VAL 86 CO 0.04 0.03 0.03 0.00 0.02 0.00 0.00 177.57 177.69 3f0g h ALA 87 N 1.04 0.92 -0.98 1.67 0.00 -1.11 -2.21 119.26 118.58 3f0g h ALA 87 Ca 0.04 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.76 3f0g h ALA 87 Cb -0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 3f0g h ALA 87 CO -0.01 0.65 0.61 0.37 0.00 0.00 0.00 179.25 180.87 3f0g h GLN 88 N 0.94 0.99 0.00 0.00 5.75 -0.79 0.25 115.11 122.24 3f0g h GLN 88 Ca 0.17 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3f0g h GLN 88 Cb 0.51 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3f0g h GLN 88 CO 0.02 0.65 0.00 0.00 -2.65 0.00 0.00 178.83 176.86 3f0g n ALA 89 N -2.36 2.00 -0.16 3.38 0.00 -0.74 -4.88 120.51 117.75 3f0g n ALA 89 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3f0g n ALA 89 Cb 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.53 0.91 3.79 0.00 0.00 0.07 -5.08 105.19 105.42 3f0g n GLY 90 Ca 0.07 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 3.35 -0.06 1.61 0.08 -0.86 -4.32 117.98 115.79 3f0g s PHE 91 Ca 0.00 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.35 3f0g s PHE 91 Cb 0.00 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3f0g s PHE 91 CO 0.00 0.59 -0.03 0.00 -0.10 0.00 0.00 175.22 175.67 3f0g s ALA 92 N -1.08 3.13 -0.11 5.36 0.00 0.59 -3.72 121.76 125.94 3f0g s ALA 92 Ca 0.19 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 3f0g s ALA 92 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3f0g s ALA 92 CO 0.09 0.59 0.79 0.42 0.00 0.00 0.00 175.76 177.65 3f0g s ILE 93 N -0.88 4.95 -0.24 0.00 1.01 -1.26 -0.58 121.20 124.20 3f0g s ILE 93 Ca 0.14 1.60 -0.18 0.00 0.00 0.00 0.00 60.65 62.20 3f0g s ILE 93 Cb -0.11 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 3f0g s ILE 93 CO 0.03 0.14 -0.04 0.54 0.00 0.00 0.00 174.94 175.61 3f0g n ARG 94 N 4.48 0.57 -3.53 2.79 5.12 0.67 -4.97 116.66 121.79 3f0g n ARG 94 Ca 0.02 0.44 -0.13 0.00 -1.93 0.00 0.00 57.85 56.25 3f0g n ARG 94 Cb 0.50 -1.64 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 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 -7.11 -0.47 -0.04 0.55 4.22 -1.12 -4.84 114.94 106.12 3f0g s ASN 95 Ca -0.33 0.11 0.04 0.00 -2.14 0.00 0.00 52.86 50.54 3f0g s ASN 95 Cb 0.10 0.53 -0.00 0.00 1.28 0.00 0.00 41.25 43.15 3f0g s ASN 95 CO 0.54 -0.80 -0.15 -0.69 -2.04 0.00 0.00 177.10 173.96 3f0g s VAL 96 N -2.88 1.29 0.15 3.54 1.01 -0.57 -1.14 120.40 121.79 3f0g s VAL 96 Ca -0.03 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3f0g s VAL 96 Cb -0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3f0g s VAL 96 CO -0.05 0.38 -0.19 -0.62 0.00 0.00 0.00 175.10 174.61 3f0g s ASP 97 N 0.12 2.66 0.15 3.32 2.15 -0.13 -1.55 116.67 123.39 3f0g s ASP 97 Ca -0.05 -0.81 -0.20 0.00 0.43 0.00 0.00 52.55 51.92 3f0g s ASP 97 Cb -0.11 -0.15 0.05 0.00 -0.30 0.00 0.00 42.92 42.41 3f0g s ASP 97 CO 0.02 -0.00 0.52 -0.94 -0.17 0.00 0.00 175.17 174.60 3f0g s SER 98 N -2.44 -0.43 -0.03 -0.34 1.04 -0.93 -0.26 113.70 110.31 3f0g s SER 98 Ca 0.13 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3f0g s SER 98 Cb -0.07 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.62 3f0g s SER 98 CO 0.06 -0.92 0.00 -0.89 0.98 0.00 0.00 173.24 172.47 3f0g s THR 99 N -3.77 0.18 -0.20 2.02 2.01 0.36 -1.29 115.64 114.94 3f0g s THR 99 Ca 0.02 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 3f0g s THR 99 Cb 0.00 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 3f0g s THR 99 CO -0.12 0.15 0.18 -0.63 -0.69 0.00 0.00 174.62 173.51 3f0g s ILE 100 N 1.12 5.37 -0.32 1.82 1.01 0.12 -0.55 121.20 129.77 3f0g s ILE 100 Ca -0.08 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 3f0g s ILE 100 Cb -0.13 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3f0g s ILE 100 CO -0.02 0.40 0.11 -0.63 0.00 0.00 0.00 174.94 174.80 3f0g s ILE 101 N 0.56 3.99 -0.15 2.92 1.01 0.35 -0.34 121.20 129.54 3f0g s ILE 101 Ca 0.10 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 3f0g s ILE 101 Cb -0.12 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.25 3f0g s ILE 101 CO 0.01 -0.06 0.35 0.00 0.00 0.00 0.00 174.94 175.24 3f0g s ALA 102 N 1.47 -0.88 0.17 9.38 0.00 0.17 -2.30 121.76 129.77 3f0g s ALA 102 Ca 0.01 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 3f0g s ALA 102 Cb -0.18 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.16 3f0g s ALA 102 CO 0.03 -0.24 1.45 0.37 0.00 0.00 0.00 175.76 177.37 3f0g h GLN 103 N 7.13 0.55 -2.89 0.00 5.75 -1.80 -3.34 115.11 120.51 3f0g h GLN 103 Ca -0.38 -0.39 -0.08 0.00 -0.15 0.00 0.00 58.65 57.64 3f0g h GLN 103 Cb 1.17 0.06 -0.18 0.00 1.07 0.00 0.00 27.48 29.61 3f0g h GLN 103 CO 0.32 1.01 -0.11 0.00 -2.65 0.00 0.00 178.83 177.41 3f0g s ALA 104 N -3.84 -1.06 0.80 3.38 0.00 -1.26 -4.84 121.76 114.94 3f0g s ALA 104 Ca -0.07 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 3f0g s ALA 104 Cb 0.11 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.53 3f0g s ALA 104 CO 0.85 -0.39 0.43 -0.35 0.00 0.00 0.00 175.76 176.29 3f0g n PRO 105 N 0.75 -0.12 -1.94 0.00 -0.04 -1.26 -5.06 135.00 127.33 3f0g n PRO 105 Ca -0.19 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.01 3f0g n PRO 105 Cb 0.58 -0.38 -0.03 0.00 -0.04 0.00 0.00 33.50 33.63 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 -3.75 4.22 -0.07 0.54 -0.14 -1.26 -4.92 119.74 114.35 3f0g s LYS 106 Ca 0.26 2.34 0.16 0.00 -1.36 0.00 0.00 55.97 57.37 3f0g s LYS 106 Cb -0.01 -3.28 -0.24 0.00 -1.68 0.00 0.00 37.83 32.62 3f0g s LYS 106 CO 0.18 -0.63 0.26 1.28 -0.76 0.00 0.00 175.35 175.67 3f0g n LEU 107 N 4.41 0.00 -0.27 3.17 4.77 -1.26 -4.64 117.00 123.18 3f0g n LEU 107 Ca 0.14 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 3f0g n LEU 107 Cb 0.39 0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.85 3f0g n LEU 107 CO 0.62 0.15 0.94 0.00 -1.33 0.00 0.00 177.39 177.76 3f0g h ALA 108 N 1.29 1.07 0.00 -1.18 0.00 -1.99 -0.03 119.26 118.43 3f0g h ALA 108 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f0g h ALA 108 Cb 1.23 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3f0g h ALA 108 CO 0.01 -0.38 0.00 -1.35 0.00 0.00 0.00 179.25 177.53 3f0g h PRO 109 N 0.26 0.00 -0.01 0.00 0.11 -2.02 -2.94 132.00 127.40 3f0g h PRO 109 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3f0g h PRO 109 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3f0g h PRO 109 CO -0.56 0.00 -0.28 0.72 -0.21 0.00 0.00 178.00 177.67 3f0g n HIS 110 N -2.98 0.00 0.01 0.65 8.25 -0.06 -4.66 115.22 116.43 3f0g n HIS 110 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3f0g n HIS 110 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 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 1.65 0.57 0.00 1.59 1.08 -1.28 -1.96 117.51 119.16 3f0g h ILE 111 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 3f0g h ILE 111 Cb 0.49 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3f0g h ILE 111 CO 0.00 0.00 -0.30 0.44 -0.69 0.00 0.00 178.15 177.60 3f0g h ASP 112 N -0.22 0.00 -0.27 1.72 3.32 -1.83 -1.55 116.42 117.59 3f0g h ASP 112 Ca 0.09 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3f0g h ASP 112 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3f0g h ASP 112 CO -0.23 0.30 -0.13 0.00 -1.72 0.00 0.00 179.24 177.46 3f0g h ALA 113 N 1.70 0.38 -0.31 3.45 0.00 -1.78 -1.38 119.26 121.32 3f0g h ALA 113 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.66 3f0g h ALA 113 Cb 0.58 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3f0g h ALA 113 CO 0.04 0.25 -0.12 0.52 0.00 0.00 0.00 179.25 179.95 3f0g h MET 114 N 0.31 -0.05 -0.83 0.00 2.86 -0.94 -1.33 114.93 114.94 3f0g h MET 114 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3f0g h MET 114 Cb 0.64 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3f0g h MET 114 CO 0.04 -0.04 0.46 -0.09 1.06 0.00 0.00 176.91 178.34 3f0g h ARG 115 N -0.06 1.16 -0.31 1.72 2.43 -1.30 -1.34 114.38 116.69 3f0g h ARG 115 Ca 0.16 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3f0g h ARG 115 Cb 0.29 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3f0g h ARG 115 CO -0.35 0.84 0.18 0.00 -1.51 0.00 0.00 179.97 179.13 3f0g h ALA 116 N 1.34 0.38 -0.30 2.80 0.00 -0.90 -1.68 119.26 120.91 3f0g h ALA 116 Ca 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3f0g h ALA 116 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3f0g h ALA 116 CO -0.05 -0.18 0.13 -0.91 0.00 0.00 0.00 179.25 178.24 3f0g h ASN 117 N 0.37 0.17 -0.41 0.00 2.35 -0.81 -2.00 115.58 115.24 3f0g h ASN 117 Ca 0.12 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3f0g h ASN 117 Cb -0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3f0g h ASN 117 CO -0.05 0.13 0.14 0.40 -1.65 0.00 0.00 177.43 176.40 3f0g h ILE 118 N 0.27 1.21 -0.90 2.81 2.04 -1.21 -1.41 117.51 120.32 3f0g h ILE 118 Ca 0.13 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3f0g h ILE 118 Cb 0.07 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3f0g h ILE 118 CO -0.11 0.24 0.52 0.00 0.00 0.00 0.00 178.15 178.80 3f0g h ALA 119 N 0.99 1.15 0.02 1.87 0.00 -1.18 -1.18 119.26 120.94 3f0g h ALA 119 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f0g h ALA 119 Cb 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3f0g h ALA 119 CO -0.01 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3f0g h ALA 120 N 1.28 -0.03 -0.08 0.00 0.00 -1.22 0.75 119.26 119.96 3f0g h ALA 120 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3f0g h ALA 120 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f0g h ALA 120 CO -0.06 -0.36 -0.03 -0.44 0.00 0.00 0.00 179.25 178.37 3f0g h ASP 121 N -0.34 0.09 0.02 0.00 3.32 -1.08 -2.45 116.42 115.99 3f0g h ASP 121 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3f0g h ASP 121 Cb 0.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3f0g h ASP 121 CO 0.00 0.14 -0.32 0.18 -1.72 0.00 0.00 179.24 177.53 3f0g n LEU 122 N -4.44 2.03 -3.72 1.55 4.77 -0.46 -4.44 117.00 112.29 3f0g n LEU 122 Ca -0.02 -0.71 -0.22 0.00 -0.03 0.00 0.00 56.01 55.03 3f0g n LEU 122 Cb 0.15 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3f0g n LEU 122 CO 0.35 0.37 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.07 3f0g n ASP 123 N 0.16 -1.73 -4.43 -1.43 2.03 -0.36 -4.99 116.55 105.80 3f0g n ASP 123 Ca 0.11 -0.80 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 3f0g n ASP 123 Cb 0.47 -4.08 -0.13 0.00 -0.72 0.00 0.00 41.12 36.67 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 -6.76 2.46 0.70 -2.67 1.43 0.11 -5.04 118.68 108.92 3f0g s LEU 124 Ca 0.10 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 3f0g s LEU 124 Cb -0.05 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.82 3f0g s LEU 124 CO 0.81 0.20 1.16 -2.16 0.23 0.00 0.00 176.35 176.59 3f0g s PRO 125 N -1.90 2.46 0.40 1.29 0.04 -1.26 -4.48 135.00 131.55 3f0g s PRO 125 Ca 0.15 1.57 0.12 0.00 0.04 0.00 0.00 61.00 62.88 3f0g s PRO 125 Cb -0.10 -1.89 0.95 0.00 0.04 0.00 0.00 34.50 33.50 3f0g s PRO 125 CO 0.07 -1.55 1.93 -0.07 0.04 0.00 0.00 177.00 177.42 3f0g h LEU 126 N -0.15 0.48 0.00 -3.56 3.38 -1.93 -2.22 115.31 111.30 3f0g h LEU 126 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3f0g h LEU 126 Cb 1.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3f0g h LEU 126 CO 0.52 0.27 0.00 -0.90 0.09 0.00 0.00 178.44 178.42 3f0g n ASP 127 N -4.49 0.00 -0.39 -0.43 5.75 -1.26 -2.00 116.55 113.73 3f0g n ASP 127 Ca 0.13 -1.33 0.03 0.00 -0.01 0.00 0.00 54.79 53.61 3f0g n ASP 127 Cb 0.42 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.67 2.88 -4.66 0.11 1.74 -0.83 -4.98 116.66 110.25 3f0g n ARG 128 Ca 0.07 -1.83 -0.25 0.00 -0.77 0.00 0.00 57.85 55.06 3f0g n ARG 128 Cb 0.03 -1.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 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 -0.99 1.24 -0.01 1.55 1.01 -0.85 -1.50 120.40 120.85 3f0g s VAL 129 Ca 0.14 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3f0g s VAL 129 Cb 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3f0g s VAL 129 CO 0.10 0.38 -0.04 0.21 0.00 0.00 0.00 175.10 175.75 3f0g s ASN 130 N 0.62 0.56 -0.08 3.32 2.47 -0.59 -4.99 114.94 116.26 3f0g s ASN 130 Ca -0.15 -0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.06 3f0g s ASN 130 Cb -0.16 -0.13 0.02 0.00 -1.45 0.00 0.00 41.25 39.53 3f0g s ASN 130 CO 0.04 0.02 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.66 3f0g s VAL 131 N 0.18 1.00 0.09 -5.21 1.01 -1.26 -2.19 120.40 114.02 3f0g s VAL 131 Ca -0.02 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.69 3f0g s VAL 131 Cb -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3f0g s VAL 131 CO -0.00 0.34 -0.18 -0.54 0.00 0.00 0.00 175.10 174.71 3f0g s LYS 132 N 1.06 1.89 0.02 2.72 1.02 -0.41 -4.99 119.74 121.04 3f0g s LYS 132 Ca -0.08 -1.11 0.08 0.00 0.02 0.00 0.00 55.97 54.89 3f0g s LYS 132 Cb -0.14 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3f0g s LYS 132 CO -0.01 0.50 -0.24 0.00 -0.92 0.00 0.00 175.35 174.68 3f0g s ALA 133 N -1.06 2.31 0.02 5.17 0.00 -1.26 0.12 121.76 127.06 3f0g s ALA 133 Ca 0.17 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 3f0g s ALA 133 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3f0g s ALA 133 CO 0.08 0.54 -0.03 0.15 0.00 0.00 0.00 175.76 176.50 3f0g s LYS 134 N -1.11 0.31 0.65 0.00 -0.14 0.54 -4.92 119.74 115.08 3f0g s LYS 134 Ca 0.12 -0.62 -0.02 0.00 -1.36 0.00 0.00 55.97 54.09 3f0g s LYS 134 Cb -0.10 0.11 0.07 0.00 -1.68 0.00 0.00 37.83 36.23 3f0g s LYS 134 CO 0.02 -0.05 0.92 0.95 -0.76 0.00 0.00 175.35 176.42 3f0g s THR 135 N -1.50 2.39 -0.27 2.17 -4.23 -1.25 -0.66 115.64 112.29 3f0g s THR 135 Ca -0.16 -0.53 0.15 0.00 -1.18 0.00 0.00 61.69 59.98 3f0g s THR 135 Cb -0.10 -2.86 0.73 0.00 1.34 0.00 0.00 72.50 71.61 3f0g s THR 135 CO -0.01 0.00 1.64 -3.20 -0.54 0.00 0.00 174.62 172.51 3f0g n ASN 136 N -2.68 5.11 -3.98 3.99 5.15 -1.26 -4.80 115.26 116.79 3f0g n ASN 136 Ca 0.10 -2.94 -0.30 0.00 -0.60 0.00 0.00 54.58 50.84 3f0g n ASN 136 Cb 0.60 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.22 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 0.29 -4.59 -2.15 1.20 -0.58 -1.26 -1.67 120.64 111.88 3f0g n GLU 137 Ca 0.26 0.52 -0.21 0.00 -0.42 0.00 0.00 57.16 57.31 3f0g n GLU 137 Cb 1.09 -5.24 -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 -4.53 -1.63 -4.29 3.49 5.02 -1.26 -4.99 118.16 109.97 3f0g n LYS 138 Ca -0.03 1.06 -0.35 0.00 -2.02 0.00 0.00 58.31 56.98 3f0g n LYS 138 Cb 0.55 -5.64 -0.10 0.00 -0.02 0.00 0.00 35.03 29.82 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 -5.61 3.57 0.00 -0.35 1.43 -0.67 -4.66 118.68 112.38 3f0g s LEU 139 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3f0g s LEU 139 Cb 0.00 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3f0g s LEU 139 CO 0.00 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3f0g n GLY 140 N 2.78 -0.89 0.26 -3.19 0.00 -1.26 -0.88 105.19 102.01 3f0g n GLY 140 Ca -0.18 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.70 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 0.40 -0.42 1.61 -0.00 -1.97 -1.79 116.97 114.80 3f0g h TYR 141 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 58.73 58.56 3f0g h TYR 141 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 3f0g h TYR 141 CO 0.00 0.45 -0.26 -0.07 -0.00 0.00 0.00 178.16 178.28 3f0g h LEU 142 N 0.37 0.92 -1.19 0.10 3.38 -1.80 0.21 115.31 117.29 3f0g h LEU 142 Ca 0.08 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3f0g h LEU 142 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3f0g h LEU 142 CO 0.01 1.12 -0.32 1.23 0.09 0.00 0.00 178.44 180.58 3f0g h GLY 143 N 0.90 0.00 -1.00 0.83 0.00 -0.64 -2.45 103.07 100.71 3f0g h GLY 143 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3f0g h GLY 143 CO 0.07 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.15 3f0g n ARG 144 N -3.64 1.85 -1.90 4.80 1.74 -0.71 -4.41 116.66 114.38 3f0g n ARG 144 Ca -0.01 -1.26 -0.10 0.00 -0.77 0.00 0.00 57.85 55.71 3f0g n ARG 144 Cb 0.43 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 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 1.19 0.33 0.13 -0.13 0.00 -0.92 -4.93 105.19 100.87 3f0g n GLY 145 Ca 0.17 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.99 1.61 5.08 -0.81 -3.44 114.58 114.03 3f0g h GLU 146 Ca -0.22 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3f0g h GLU 146 Cb 1.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3f0g h GLU 146 CO 0.28 0.00 0.25 0.20 -1.00 0.00 0.00 179.01 178.74 3f0g s GLY 147 N -3.96 0.05 -0.06 -3.84 0.00 -1.23 -0.80 107.32 97.48 3f0g s GLY 147 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.36 3f0g s GLY 147 CO 0.69 -0.14 -0.10 -0.42 0.00 0.00 0.00 173.10 173.13 3f0g s ILE 148 N -3.41 0.96 0.10 0.90 1.01 -0.68 -4.56 121.20 115.52 3f0g s ILE 148 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.43 3f0g s ILE 148 Cb -0.06 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3f0g s ILE 148 CO 0.08 0.31 0.07 -0.70 0.00 0.00 0.00 174.94 174.70 3f0g s GLU 149 N 0.69 2.78 0.01 2.79 2.12 -0.97 -2.29 118.70 123.83 3f0g s GLU 149 Ca -0.13 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.46 3f0g s GLU 149 Cb -0.15 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.57 3f0g s GLU 149 CO 0.03 0.54 -0.10 0.00 -0.54 0.00 0.00 175.26 175.19 3f0g s ALA 150 N -1.44 0.80 0.06 6.30 0.00 -0.05 -0.50 121.76 126.94 3f0g s ALA 150 Ca 0.29 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3f0g s ALA 150 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3f0g s ALA 150 CO 0.21 0.15 -0.23 -0.65 0.00 0.00 0.00 175.76 175.24 3f0g s GLN 151 N -0.68 1.50 0.00 0.00 -0.21 0.29 -1.84 119.66 118.71 3f0g s GLN 151 Ca 0.01 -1.07 -0.07 0.00 0.02 0.00 0.00 55.36 54.25 3f0g s GLN 151 Cb -0.06 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.26 3f0g s GLN 151 CO 0.00 0.43 0.12 0.00 -2.12 0.00 0.00 175.29 173.72 3f0g s ALA 152 N -0.87 -0.29 -0.00 6.09 0.00 -0.52 -0.49 121.76 125.68 3f0g s ALA 152 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.96 3f0g s ALA 152 Cb -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3f0g s ALA 152 CO 0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 175.76 175.46 3f0g s ALA 153 N -1.30 1.08 -0.03 0.00 0.00 0.64 -0.13 121.76 122.02 3f0g s ALA 153 Ca -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3f0g s ALA 153 Cb -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3f0g s ALA 153 CO 0.01 0.26 -0.06 0.00 0.00 0.00 0.00 175.76 175.97 3f0g s ALA 154 N -0.38 0.66 -0.18 0.00 0.00 -0.52 -0.95 121.76 120.38 3f0g s ALA 154 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 3f0g s ALA 154 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3f0g s ALA 154 CO -0.00 0.06 -0.02 -1.17 0.00 0.00 0.00 175.76 174.63 3f0g s LEU 155 N 0.46 3.24 0.34 0.00 2.96 -0.29 -1.03 118.68 124.36 3f0g s LEU 155 Ca -0.06 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3f0g s LEU 155 Cb -0.10 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 3f0g s LEU 155 CO 0.00 0.10 -0.00 0.68 -1.32 0.00 0.00 176.35 175.81 3f0g s VAL 156 N 0.78 1.68 -0.07 1.68 -7.23 -0.26 -0.24 120.40 116.74 3f0g s VAL 156 Ca -0.00 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3f0g s VAL 156 Cb -0.14 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.06 3f0g s VAL 156 CO 0.02 -0.09 0.16 0.54 -0.31 0.00 0.00 175.10 175.42 3f0g s VAL 157 N -2.96 -0.03 -2.41 1.32 0.11 0.25 -1.00 120.40 115.68 3f0g s VAL 157 Ca 0.34 0.13 0.29 0.00 -2.93 0.00 0.00 61.98 59.80 3f0g s VAL 157 Cb 0.07 -0.26 0.62 0.00 -1.53 0.00 0.00 36.38 35.28 3f0g s VAL 157 CO 0.16 0.05 1.84 -1.14 -3.33 0.00 0.00 175.10 172.67