#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifw s GLN 2 N 0.00 3.49 0.29 3.17 0.74 -1.26 -0.42 119.66 125.67 3ifw s GLN 2 Ca 0.00 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 54.88 3ifw s GLN 2 Cb 0.00 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 3ifw s GLN 2 CO 0.00 -0.38 -0.03 0.96 -0.55 0.00 0.00 175.29 175.29 3ifw s ILE 3 N 1.67 3.02 -0.03 -2.34 -4.36 -0.70 -0.20 121.20 118.26 3ifw s ILE 3 Ca 0.06 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 3ifw s ILE 3 Cb -0.17 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.78 3ifw s ILE 3 CO 0.08 -0.32 -0.16 -0.36 0.24 0.00 0.00 174.94 174.42 3ifw s PHE 4 N -2.42 2.64 -0.25 1.37 0.08 -0.68 -1.32 117.98 117.41 3ifw s PHE 4 Ca 0.32 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.19 3ifw s PHE 4 Cb -0.04 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 3ifw s PHE 4 CO 0.19 0.18 -0.07 0.08 -0.10 0.00 0.00 175.22 175.50 3ifw s VAL 5 N -0.77 1.80 -0.14 -0.44 1.01 0.53 -0.29 120.40 122.10 3ifw s VAL 5 Ca 0.12 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 3ifw s VAL 5 Cb -0.11 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3ifw s VAL 5 CO 0.01 -0.09 0.25 -0.75 0.00 0.00 0.00 175.10 174.52 3ifw s LYS 6 N 1.27 4.03 0.37 2.72 2.20 0.24 0.08 119.74 130.64 3ifw s LYS 6 Ca -0.07 0.04 0.08 0.00 -0.36 0.00 0.00 55.97 55.65 3ifw s LYS 6 Cb -0.19 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3ifw s LYS 6 CO -0.06 0.42 0.34 0.95 -0.36 0.00 0.00 175.35 176.64 3ifw s THR 7 N -0.07 3.21 0.28 3.43 -4.23 0.08 -0.67 115.64 117.68 3ifw s THR 7 Ca 0.16 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3ifw s THR 7 Cb -0.13 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.87 3ifw s THR 7 CO 0.04 -0.11 1.81 0.25 -0.54 0.00 0.00 174.62 176.07 3ifw h LEU 8 N 1.14 0.82 -0.73 4.79 5.85 -1.89 -1.78 115.31 123.52 3ifw h LEU 8 Ca -0.43 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ifw h LEU 8 Cb 1.26 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ifw h LEU 8 CO 0.57 0.39 0.00 0.35 -0.34 0.00 0.00 178.44 179.41 3ifw n THR 9 N -4.70 0.87 0.00 1.05 -2.24 -1.26 -4.85 114.28 103.15 3ifw n THR 9 Ca 0.20 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 3ifw n THR 9 Cb 0.43 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 3ifw n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifw n GLY 10 N -0.15 0.92 3.76 3.38 0.00 -0.67 -5.09 105.19 107.35 3ifw n GLY 10 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3ifw n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ifw s LYS 11 N -0.92 4.75 -0.22 1.61 2.20 -1.26 -4.86 119.74 121.03 3ifw s LYS 11 Ca 0.00 1.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.97 3ifw s LYS 11 Cb 0.00 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3ifw s LYS 11 CO 0.00 0.52 -0.10 0.99 -0.36 0.00 0.00 175.35 176.40 3ifw s THR 12 N -1.09 2.69 0.01 3.43 2.01 -1.26 -0.74 115.64 120.68 3ifw s THR 12 Ca 0.39 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 3ifw s THR 12 Cb -0.25 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 3ifw s THR 12 CO 0.30 0.32 0.45 -0.63 -0.69 0.00 0.00 174.62 174.36 3ifw s ILE 13 N 1.33 4.98 -0.25 1.82 1.01 0.11 -4.87 121.20 125.33 3ifw s ILE 13 Ca 0.02 0.93 -0.10 0.00 0.00 0.00 0.00 60.65 61.50 3ifw s ILE 13 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3ifw s ILE 13 CO -0.07 0.56 0.14 -0.89 0.00 0.00 0.00 174.94 174.68 3ifw s THR 14 N -0.96 5.08 -0.06 2.92 2.01 -1.26 -0.35 115.64 123.02 3ifw s THR 14 Ca 0.25 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.38 3ifw s THR 14 Cb -0.17 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 3ifw s THR 14 CO 0.14 0.32 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.46 3ifw s LEU 15 N 1.32 2.52 -0.36 4.42 1.43 -0.44 -5.00 118.68 122.58 3ifw s LEU 15 Ca 0.07 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 3ifw s LEU 15 Cb -0.15 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 3ifw s LEU 15 CO 0.06 0.30 0.39 -1.61 0.23 0.00 0.00 176.35 175.72 3ifw s GLU 16 N -0.47 3.47 0.38 1.70 0.41 -1.26 -1.72 118.70 121.20 3ifw s GLU 16 Ca 0.06 -0.47 0.06 0.00 -0.41 0.00 0.00 54.97 54.21 3ifw s GLU 16 Cb -0.12 -3.84 -0.02 0.00 -1.78 0.00 0.00 34.13 28.37 3ifw s GLU 16 CO 0.01 -0.60 0.23 0.14 -0.49 0.00 0.00 175.26 174.56 3ifw s VAL 17 N 2.06 0.19 0.07 2.63 -7.23 0.44 -4.90 120.40 113.66 3ifw s VAL 17 Ca 0.12 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 3ifw s VAL 17 Cb -0.17 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3ifw s VAL 17 CO 0.12 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.25 3ifw s GLU 18 N -3.49 0.66 0.66 4.82 2.02 -1.26 0.26 118.70 122.36 3ifw s GLU 18 Ca 0.33 -1.10 0.41 0.00 0.02 0.00 0.00 54.97 54.62 3ifw s GLU 18 Cb 0.02 -0.09 2.24 0.00 0.10 0.00 0.00 34.13 36.39 3ifw s GLU 18 CO 0.23 -0.03 2.30 -1.35 0.02 0.00 0.00 175.26 176.43 3ifw h PRO 19 N 3.53 0.00 0.00 0.39 0.11 -1.95 -1.11 132.00 132.97 3ifw h PRO 19 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3ifw h PRO 19 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ifw h PRO 19 CO 0.57 0.00 -0.11 0.77 -0.21 0.00 0.00 178.00 179.02 3ifw h SER 20 N 0.00 0.00 -3.02 -2.05 0.02 -1.97 -2.59 113.55 103.93 3ifw h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3ifw h SER 20 Cb 0.10 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.66 3ifw h SER 20 CO -0.00 0.11 0.71 -1.81 -1.14 0.00 0.00 176.83 174.70 3ifw s ASP 21 N -5.97 6.86 0.73 3.07 1.01 -0.42 -4.82 116.67 117.14 3ifw s ASP 21 Ca 0.01 2.26 -0.11 0.00 0.71 0.00 0.00 52.55 55.42 3ifw s ASP 21 Cb 0.09 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.47 3ifw s ASP 21 CO 0.60 -0.63 1.07 0.42 0.21 0.00 0.00 175.17 176.84 3ifw s THR 22 N 1.21 3.69 0.36 -1.27 -4.23 -1.26 -1.40 115.64 112.74 3ifw s THR 22 Ca 0.64 0.55 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 3ifw s THR 22 Cb -0.35 -3.29 0.27 0.00 1.34 0.00 0.00 72.50 70.46 3ifw s THR 22 CO 0.30 -0.72 2.01 0.40 -0.54 0.00 0.00 174.62 176.07 3ifw h ILE 23 N -0.85 1.14 -0.81 2.99 1.08 -1.55 -0.93 117.51 118.59 3ifw h ILE 23 Ca -0.45 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3ifw h ILE 23 Cb 1.23 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 3ifw h ILE 23 CO 0.58 0.15 0.53 -0.08 -0.69 0.00 0.00 178.15 178.64 3ifw h GLU 24 N 0.82 1.04 -0.35 2.37 4.81 -1.87 -0.38 114.58 121.02 3ifw h GLU 24 Ca 0.24 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3ifw h GLU 24 Cb -0.05 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 3ifw h GLU 24 CO -0.06 0.69 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.84 3ifw h ASN 25 N 1.07 0.63 -0.25 1.04 2.35 -1.62 -2.42 115.58 116.38 3ifw h ASN 25 Ca 0.30 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3ifw h ASN 25 Cb -0.09 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3ifw h ASN 25 CO -0.08 0.81 -0.01 0.58 -1.65 0.00 0.00 177.43 177.08 3ifw h VAL 26 N 0.58 1.26 -0.58 2.81 2.07 -0.75 -2.47 116.25 119.17 3ifw h VAL 26 Ca 0.10 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3ifw h VAL 26 Cb 0.60 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3ifw h VAL 26 CO 0.04 0.29 0.37 0.11 0.02 0.00 0.00 177.57 178.41 3ifw h LYS 27 N 0.22 0.77 -0.19 1.57 1.57 -1.03 -1.77 116.57 117.70 3ifw h LYS 27 Ca 0.07 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3ifw h LYS 27 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3ifw h LYS 27 CO 0.02 0.52 -0.22 0.00 -0.57 0.00 0.00 179.45 179.19 3ifw h ALA 28 N 1.62 1.27 -0.08 3.86 0.00 -1.29 -2.21 119.26 122.43 3ifw h ALA 28 Ca 0.21 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ifw h ALA 28 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ifw h ALA 28 CO -0.04 0.49 -0.55 0.87 0.00 0.00 0.00 179.25 180.01 3ifw h LYS 29 N 0.31 0.24 -0.42 0.00 1.57 -0.87 -2.82 116.57 114.59 3ifw h LYS 29 Ca 0.05 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3ifw h LYS 29 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3ifw h LYS 29 CO 0.04 0.73 -0.20 0.82 -0.57 0.00 0.00 179.45 180.27 3ifw h ILE 30 N 0.18 1.27 -0.83 1.86 2.04 -1.11 -2.69 117.51 118.23 3ifw h ILE 30 Ca 0.00 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.59 3ifw h ILE 30 Cb 1.03 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 3ifw h ILE 30 CO 0.09 0.45 0.52 -0.61 0.00 0.00 0.00 178.15 178.59 3ifw h GLN 31 N 0.73 0.95 0.00 2.37 4.15 -1.26 0.28 115.11 122.34 3ifw h GLN 31 Ca 0.10 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3ifw h GLN 31 Cb 0.72 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3ifw h GLN 31 CO 0.06 0.63 -0.22 -0.44 -1.93 0.00 0.00 178.83 176.93 3ifw h ASP 32 N 0.98 0.00 0.15 -0.69 3.45 -1.32 0.16 116.42 119.16 3ifw h ASP 32 Ca 0.34 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.44 3ifw h ASP 32 Cb 0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3ifw h ASP 32 CO -0.14 0.22 -1.93 0.11 -1.57 0.00 0.00 179.24 175.93 3ifw h LYS 33 N 0.00 0.29 0.00 3.56 1.79 -1.01 -3.44 116.57 117.77 3ifw h LYS 33 Ca -0.00 -0.50 -0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3ifw h LYS 33 Cb 0.58 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3ifw h LYS 33 CO 0.03 1.23 -1.01 0.39 -1.08 0.00 0.00 179.45 179.01 3ifw n GLU 34 N -3.50 2.27 -0.18 3.15 -0.58 0.90 -5.03 120.64 117.66 3ifw n GLU 34 Ca -0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 3ifw n GLU 34 Cb 1.06 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 3ifw n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifw n GLY 35 N 2.78 0.61 3.68 0.62 0.00 0.56 -5.03 105.19 108.41 3ifw n GLY 35 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ifw n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifw s ILE 36 N -2.40 4.43 0.48 -0.61 1.01 -1.26 -4.96 121.20 117.90 3ifw s ILE 36 Ca 0.00 1.74 -0.23 0.00 0.00 0.00 0.00 60.65 62.16 3ifw s ILE 36 Cb 0.00 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 3ifw s ILE 36 CO 0.00 -0.07 1.27 -2.16 0.00 0.00 0.00 174.94 173.99 3ifw s PRO 37 N 2.68 3.55 0.45 2.79 0.04 -1.26 -3.84 135.00 139.40 3ifw s PRO 37 Ca 0.52 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.81 3ifw s PRO 37 Cb -0.21 -2.41 1.19 0.00 0.04 0.00 0.00 34.50 33.11 3ifw s PRO 37 CO 0.17 -0.80 1.88 -1.35 0.04 0.00 0.00 177.00 176.93 3ifw h PRO 38 N 1.93 0.28 -0.16 0.56 0.11 -1.95 -1.73 132.00 131.04 3ifw h PRO 38 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3ifw h PRO 38 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ifw h PRO 38 CO 0.59 0.18 0.07 -0.44 -0.21 0.00 0.00 178.00 178.20 3ifw h ASP 39 N 0.29 0.19 0.69 -2.05 3.32 -1.98 -1.96 116.42 114.93 3ifw h ASP 39 Ca 0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ifw h ASP 39 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ifw h ASP 39 CO -0.12 0.17 -0.31 0.00 -1.72 0.00 0.00 179.24 177.26 3ifw n GLN 40 N -4.48 0.00 -3.45 3.56 6.02 -0.65 -4.87 117.38 113.51 3ifw n GLN 40 Ca -0.01 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 3ifw n GLN 40 Cb 0.11 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 3ifw n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ifw s GLN 41 N -3.00 4.13 -0.10 -1.09 -0.21 -0.74 -0.48 119.66 118.18 3ifw s GLN 41 Ca 0.12 0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.87 3ifw s GLN 41 Cb 0.18 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.87 3ifw s GLN 41 CO 0.63 0.42 -0.13 1.03 -2.12 0.00 0.00 175.29 175.12 3ifw s ARG 42 N -0.18 1.91 -0.20 2.91 1.81 -0.11 -4.96 118.95 120.13 3ifw s ARG 42 Ca 0.23 -0.45 -0.08 0.00 -1.72 0.00 0.00 55.73 53.71 3ifw s ARG 42 Cb -0.15 -1.68 -0.04 0.00 -0.45 0.00 0.00 34.95 32.62 3ifw s ARG 42 CO 0.10 -0.09 0.09 -0.51 -0.68 0.00 0.00 175.30 174.21 3ifw s LEU 43 N 1.07 3.86 -0.13 2.53 1.43 -1.26 -0.69 118.68 125.49 3ifw s LEU 43 Ca -0.06 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3ifw s LEU 43 Cb -0.15 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3ifw s LEU 43 CO -0.02 0.13 -0.19 -0.63 0.23 0.00 0.00 176.35 175.88 3ifw s ILE 44 N 0.63 2.45 -0.06 -0.59 -1.09 0.11 -0.71 121.20 121.93 3ifw s ILE 44 Ca 0.04 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 3ifw s ILE 44 Cb -0.13 -2.00 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 3ifw s ILE 44 CO 0.01 0.54 -0.06 0.12 -1.23 0.00 0.00 174.94 174.32 3ifw s PHE 45 N 0.61 1.03 -1.37 3.97 5.36 -0.62 0.24 117.98 127.19 3ifw s PHE 45 Ca -0.10 -0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3ifw s PHE 45 Cb -0.16 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.65 3ifw s PHE 45 CO 0.03 -0.29 0.62 0.00 -1.46 0.00 0.00 175.22 174.12 3ifw n ALA 46 N 4.30 -1.93 -1.35 11.12 0.00 -1.26 -2.32 120.51 129.06 3ifw n ALA 46 Ca -0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 3ifw n ALA 46 Cb 0.51 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 3ifw n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifw n GLY 47 N -1.73 1.31 2.99 0.00 0.00 -1.26 -5.00 105.19 101.50 3ifw n GLY 47 Ca -0.27 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 3ifw n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ifw s LYS 48 N -3.00 1.28 0.07 1.61 2.20 -0.98 -5.11 119.74 115.81 3ifw s LYS 48 Ca 0.00 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 54.99 3ifw s LYS 48 Cb 0.00 -1.13 -0.08 0.00 -1.51 0.00 0.00 37.83 35.11 3ifw s LYS 48 CO 0.00 0.03 1.59 -0.65 -0.36 0.00 0.00 175.35 175.96 3ifw s GLN 49 N 0.57 4.22 -0.10 4.03 -0.21 -1.26 -1.59 119.66 125.32 3ifw s GLN 49 Ca -0.10 2.26 -0.26 0.00 0.02 0.00 0.00 55.36 57.28 3ifw s GLN 49 Cb -0.13 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 3ifw s GLN 49 CO 0.02 -0.68 0.82 -0.51 -2.12 0.00 0.00 175.29 172.82 3ifw s LEU 50 N 2.38 4.27 0.04 2.90 1.43 0.11 -4.96 118.68 124.84 3ifw s LEU 50 Ca 0.71 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 3ifw s LEU 50 Cb -0.39 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3ifw s LEU 50 CO 0.31 -0.27 0.48 -0.70 0.23 0.00 0.00 176.35 176.40 3ifw s GLU 51 N 1.42 4.03 0.33 1.70 2.56 -1.26 -4.65 118.70 122.84 3ifw s GLU 51 Ca 0.41 0.55 -0.29 0.00 0.00 0.00 0.00 54.97 55.64 3ifw s GLU 51 Cb -0.18 -3.21 -0.11 0.00 2.00 0.00 0.00 34.13 32.63 3ifw s GLU 51 CO 0.18 0.66 1.55 -0.51 -0.56 0.00 0.00 175.26 176.58 3ifw s ASP 52 N -1.13 6.34 0.00 -1.70 1.01 -1.26 -2.61 116.67 117.32 3ifw s ASP 52 Ca 0.27 3.01 0.00 0.00 0.71 0.00 0.00 52.55 56.54 3ifw s ASP 52 Cb -0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.10 3ifw s ASP 52 CO 0.16 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.25 3ifw n GLY 53 N 1.34 2.93 3.75 0.21 0.00 -1.26 -4.97 105.19 107.20 3ifw n GLY 53 Ca 0.05 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3ifw n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifw s ARG 54 N 0.00 4.62 0.67 1.61 1.81 -1.07 -4.84 118.95 121.75 3ifw s ARG 54 Ca 0.00 1.80 -0.05 0.00 -1.72 0.00 0.00 55.73 55.75 3ifw s ARG 54 Cb 0.00 -3.20 0.05 0.00 -0.45 0.00 0.00 34.95 31.35 3ifw s ARG 54 CO 0.00 0.17 0.97 0.95 -0.68 0.00 0.00 175.30 176.71 3ifw s THR 55 N -0.96 2.48 0.36 0.02 -4.23 -1.26 -1.60 115.64 110.45 3ifw s THR 55 Ca 0.46 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.75 3ifw s THR 55 Cb -0.32 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.61 3ifw s THR 55 CO 0.40 -0.05 1.87 -0.07 -0.54 0.00 0.00 174.62 176.23 3ifw h LEU 56 N -0.46 0.27 -1.25 4.79 3.38 -1.26 -2.32 115.31 118.45 3ifw h LEU 56 Ca -0.44 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 3ifw h LEU 56 Cb 1.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3ifw h LEU 56 CO 0.59 0.46 0.01 -1.28 0.09 0.00 0.00 178.44 178.31 3ifw h SER 57 N 0.26 0.48 0.19 -0.43 0.87 -1.74 -1.49 113.55 111.69 3ifw h SER 57 Ca 0.05 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3ifw h SER 57 Cb 0.45 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3ifw h SER 57 CO 0.03 0.55 0.00 0.47 -0.53 0.00 0.00 176.83 177.34 3ifw n ASP 58 N -4.29 0.20 -0.01 6.23 10.43 -0.87 -1.18 116.55 127.05 3ifw n ASP 58 Ca 0.01 0.58 0.01 0.00 2.57 0.00 0.00 54.79 57.97 3ifw n ASP 58 Cb 0.24 -0.61 0.02 0.00 1.84 0.00 0.00 41.12 42.61 3ifw n ASP 58 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3ifw n TYR 59 N -1.76 0.00 -3.37 1.24 4.02 -1.06 -4.99 117.16 111.25 3ifw n TYR 59 Ca 0.01 -0.55 -0.24 0.00 -0.01 0.00 0.00 57.90 57.11 3ifw n TYR 59 Cb 0.07 -0.06 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 3ifw n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ifw n ASN 60 N -0.61 -4.41 -4.67 7.72 3.02 -0.33 -4.91 115.26 111.08 3ifw n ASN 60 Ca 0.02 -0.43 -0.42 0.00 -0.03 0.00 0.00 54.58 53.72 3ifw n ASN 60 Cb 0.32 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.86 3ifw n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ifw s ILE 61 N -3.04 3.87 0.60 2.41 1.01 -0.59 -5.00 121.20 120.47 3ifw s ILE 61 Ca 0.42 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.25 3ifw s ILE 61 Cb -0.21 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.62 3ifw s ILE 61 CO 0.52 -0.07 0.83 -1.10 0.00 0.00 0.00 174.94 175.11 3ifw s GLN 62 N 3.36 2.18 0.42 2.79 -1.52 -1.26 -4.75 119.66 120.89 3ifw s GLN 62 Ca 0.64 -1.43 -0.24 0.00 -1.95 0.00 0.00 55.36 52.38 3ifw s GLN 62 Cb -0.29 -2.56 -0.08 0.00 -0.22 0.00 0.00 33.01 29.86 3ifw s GLN 62 CO 0.23 -0.97 1.15 -1.59 -0.25 0.00 0.00 175.29 173.87 3ifw s LYS 63 N -4.77 3.99 0.00 2.91 -2.85 -1.26 -3.38 119.74 114.38 3ifw s LYS 63 Ca 0.62 1.77 0.00 0.00 -1.00 0.00 0.00 55.97 57.37 3ifw s LYS 63 Cb -0.06 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 3ifw s LYS 63 CO 0.40 -0.36 0.00 0.39 0.10 0.00 0.00 175.35 175.88 3ifw n GLU 64 N -0.10 -0.46 -2.63 1.78 4.71 0.72 -5.01 120.64 119.65 3ifw n GLU 64 Ca 0.05 0.11 -0.32 0.00 -0.01 0.00 0.00 57.16 56.99 3ifw n GLU 64 Cb 0.47 -3.68 -0.05 0.00 -1.01 0.00 0.00 31.44 27.18 3ifw n GLU 64 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3ifw s SER 65 N -2.27 6.77 -0.18 1.62 1.04 -1.22 -4.77 113.70 114.70 3ifw s SER 65 Ca 0.00 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 57.99 3ifw s SER 65 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 3ifw s SER 65 CO 0.00 -0.46 -0.04 -0.89 0.98 0.00 0.00 173.24 172.83 3ifw s THR 66 N -2.39 3.75 0.16 2.02 2.01 -1.26 -1.68 115.64 118.24 3ifw s THR 66 Ca 0.60 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 3ifw s THR 66 Cb -0.10 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3ifw s THR 66 CO 0.22 0.46 0.35 -0.76 -0.69 0.00 0.00 174.62 174.21 3ifw s LEU 67 N 0.73 4.27 -0.13 4.42 1.43 0.60 -4.82 118.68 125.17 3ifw s LEU 67 Ca -0.02 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3ifw s LEU 67 Cb -0.14 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3ifw s LEU 67 CO 0.02 0.02 0.04 -1.00 0.23 0.00 0.00 176.35 175.66 3ifw s HIS 68 N -1.75 3.24 -0.26 0.29 3.76 0.14 -0.59 115.29 120.11 3ifw s HIS 68 Ca 0.38 0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 55.36 3ifw s HIS 68 Cb -0.12 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 3ifw s HIS 68 CO 0.28 0.34 0.07 -1.17 -0.85 0.00 0.00 174.74 173.41 3ifw s LEU 69 N -0.34 3.55 -0.14 0.89 2.96 0.15 0.06 118.68 125.81 3ifw s LEU 69 Ca 0.08 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3ifw s LEU 69 Cb -0.12 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3ifw s LEU 69 CO 0.02 -0.08 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.27 3ifw s VAL 70 N 1.58 4.22 -0.20 1.68 1.01 0.13 -4.05 120.40 124.78 3ifw s VAL 70 Ca 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3ifw s VAL 70 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3ifw s VAL 70 CO 0.03 0.52 0.07 -0.76 0.00 0.00 0.00 175.10 174.96 3ifw s LEU 71 N -0.02 3.75 -1.15 3.92 1.43 -1.26 -0.93 118.68 124.42 3ifw s LEU 71 Ca 0.03 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3ifw s LEU 71 Cb -0.13 -1.96 0.25 0.00 0.03 0.00 0.00 46.19 44.39 3ifw s LEU 71 CO 0.02 0.13 1.35 0.54 0.23 0.00 0.00 176.35 178.62 3ifw n ARG 72 N 3.83 3.75 -3.70 1.70 5.12 0.37 -5.02 116.66 122.72 3ifw n ARG 72 Ca -0.16 -4.26 -0.25 0.00 -1.93 0.00 0.00 57.85 51.25 3ifw n ARG 72 Cb 0.52 -2.68 -0.02 0.00 -1.16 0.00 0.00 32.46 29.12 3ifw n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ifw s LEU 73 N -0.97 4.20 -0.14 0.55 1.43 -1.26 -4.75 118.68 117.75 3ifw s LEU 73 Ca 0.34 0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3ifw s LEU 73 Cb -0.03 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3ifw s LEU 73 CO -0.01 -0.10 0.02 -0.13 0.23 0.00 0.00 176.35 176.36 3ifw s ARG 74 N -3.71 3.53 0.00 1.70 0.52 -1.26 -5.23 118.95 114.49 3ifw s ARG 74 Ca 0.38 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3ifw s ARG 74 Cb -0.10 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.37 3ifw s ARG 74 CO 0.31 0.46 0.48 0.41 0.02 0.00 0.00 175.30 176.97