#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3j s GLN 2 N 0.00 3.96 0.31 3.17 0.74 -1.26 -1.14 119.66 125.45 3m3j s GLN 2 Ca 0.00 0.08 0.08 0.00 0.05 0.00 0.00 55.36 55.56 3m3j s GLN 2 Cb 0.00 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 3m3j s GLN 2 CO 0.00 0.48 -0.07 0.96 -0.55 0.00 0.00 175.29 176.12 3m3j s ILE 3 N -0.27 1.89 -0.08 -2.34 -4.36 -0.32 0.16 121.20 115.87 3m3j s ILE 3 Ca 0.17 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 3m3j s ILE 3 Cb -0.13 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 3m3j s ILE 3 CO 0.05 -0.24 -0.07 -0.36 0.24 0.00 0.00 174.94 174.56 3m3j s PHE 4 N -2.85 2.94 -0.15 1.37 0.40 0.22 -1.11 117.98 118.81 3m3j s PHE 4 Ca 0.31 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3m3j s PHE 4 Cb 0.03 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.83 3m3j s PHE 4 CO 0.14 0.28 -0.19 0.08 0.70 0.00 0.00 175.22 176.23 3m3j s VAL 5 N -0.66 2.31 0.01 -0.44 1.01 -0.24 -0.63 120.40 121.75 3m3j s VAL 5 Ca 0.10 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3m3j s VAL 5 Cb -0.11 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3m3j s VAL 5 CO 0.02 0.53 -0.15 -0.75 0.00 0.00 0.00 175.10 174.75 3m3j s LYS 6 N 0.85 1.12 0.49 2.72 2.20 -0.18 -1.62 119.74 125.33 3m3j s LYS 6 Ca -0.06 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.91 3m3j s LYS 6 Cb -0.15 -1.10 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 3m3j s LYS 6 CO -0.02 0.29 0.77 0.95 -0.36 0.00 0.00 175.35 176.99 3m3j s THR 7 N -0.49 4.42 -0.74 3.43 -4.23 -0.53 -0.91 115.64 116.58 3m3j s THR 7 Ca 0.05 -0.05 0.22 0.00 -1.18 0.00 0.00 61.69 60.72 3m3j s THR 7 Cb -0.06 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.31 3m3j s THR 7 CO 0.00 -0.62 1.67 0.18 -0.54 0.00 0.00 174.62 175.31 3m3j n LEU 8 N -2.27 0.41 -0.42 4.79 4.32 -1.26 -1.92 117.00 120.65 3m3j n LEU 8 Ca 0.01 0.58 0.11 0.00 -0.02 0.00 0.00 56.01 56.69 3m3j n LEU 8 Cb 0.56 -0.50 0.45 0.00 -1.62 0.00 0.00 43.42 42.31 3m3j n LEU 8 CO 0.52 -0.34 0.81 0.35 -1.22 0.00 0.00 177.39 177.51 3m3j n THR 9 N -1.93 0.14 -0.15 -5.08 -2.24 -1.26 -4.95 114.28 98.81 3m3j n THR 9 Ca 0.04 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3m3j n THR 9 Cb 0.25 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3m3j n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3j n GLY 10 N 1.07 0.75 3.73 3.38 0.00 -0.81 -5.06 105.19 108.25 3m3j n GLY 10 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3m3j n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m3j s LYS 11 N -0.85 4.38 -0.05 1.61 2.20 -1.26 -4.90 119.74 120.87 3m3j s LYS 11 Ca 0.00 0.72 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 3m3j s LYS 11 Cb 0.00 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3m3j s LYS 11 CO 0.00 0.17 -0.20 0.99 -0.36 0.00 0.00 175.35 175.95 3m3j s THR 12 N 0.49 1.66 0.22 3.43 2.01 -1.26 -1.46 115.64 120.73 3m3j s THR 12 Ca 0.32 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.53 3m3j s THR 12 Cb -0.17 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3m3j s THR 12 CO 0.16 0.47 -0.05 0.27 -0.69 0.00 0.00 174.62 174.78 3m3j s ILE 13 N -0.03 1.26 0.02 1.82 -4.36 -0.64 -4.99 121.20 114.29 3m3j s ILE 13 Ca -0.04 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3m3j s ILE 13 Cb -0.12 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3m3j s ILE 13 CO 0.03 -0.43 0.10 0.42 0.24 0.00 0.00 174.94 175.30 3m3j s THR 14 N -3.27 4.78 0.04 8.37 -4.23 -1.26 -1.08 115.64 118.99 3m3j s THR 14 Ca 0.26 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 3m3j s THR 14 Cb 0.04 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 3m3j s THR 14 CO 0.08 0.27 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.54 3m3j s LEU 15 N -2.01 2.17 -0.23 4.79 1.43 -0.26 -4.93 118.68 119.65 3m3j s LEU 15 Ca 0.26 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3m3j s LEU 15 Cb -0.12 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 3m3j s LEU 15 CO 0.18 -0.00 0.24 -1.61 0.23 0.00 0.00 176.35 175.39 3m3j s GLU 16 N -1.14 4.10 0.26 1.70 0.41 -1.26 -1.18 118.70 121.59 3m3j s GLU 16 Ca -0.00 -0.11 0.02 0.00 -0.41 0.00 0.00 54.97 54.47 3m3j s GLU 16 Cb -0.08 -3.54 -0.04 0.00 -1.78 0.00 0.00 34.13 28.70 3m3j s GLU 16 CO 0.01 0.03 0.18 0.14 -0.49 0.00 0.00 175.26 175.12 3m3j s VAL 17 N 1.15 0.08 0.10 2.63 -7.23 -0.29 -4.94 120.40 111.90 3m3j s VAL 17 Ca 0.11 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.38 3m3j s VAL 17 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3m3j s VAL 17 CO 0.06 0.00 -0.26 -1.61 -0.31 0.00 0.00 175.10 172.98 3m3j s GLU 18 N -3.89 1.44 0.45 4.82 2.02 -1.26 -1.20 118.70 121.08 3m3j s GLU 18 Ca 0.39 -1.25 0.27 0.00 0.02 0.00 0.00 54.97 54.40 3m3j s GLU 18 Cb 0.05 -1.82 1.32 0.00 0.10 0.00 0.00 34.13 33.79 3m3j s GLU 18 CO 0.18 0.44 1.73 -1.35 0.02 0.00 0.00 175.26 176.28 3m3j h PRO 19 N 4.15 0.20 0.00 0.39 0.11 -1.96 -0.01 132.00 134.87 3m3j h PRO 19 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m3j h PRO 19 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m3j h PRO 19 CO 0.40 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 3m3j n SER 20 N -4.50 0.31 -4.73 -2.05 3.41 -1.26 -1.28 113.62 103.52 3m3j n SER 20 Ca 0.29 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 59.03 3m3j n SER 20 Cb 1.16 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3m3j n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3m3j s ASP 21 N -3.58 6.53 0.77 4.04 1.01 -0.02 -4.79 116.67 120.63 3m3j s ASP 21 Ca 0.10 2.72 -0.11 0.00 0.71 0.00 0.00 52.55 55.96 3m3j s ASP 21 Cb 0.13 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.51 3m3j s ASP 21 CO 0.46 -0.84 1.10 0.42 0.21 0.00 0.00 175.17 176.52 3m3j s THR 22 N 0.72 3.15 0.23 -1.27 -4.23 -1.26 -0.99 115.64 111.99 3m3j s THR 22 Ca 0.67 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.48 3m3j s THR 22 Cb -0.45 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.38 3m3j s THR 22 CO 0.36 -0.49 1.88 0.40 -0.54 0.00 0.00 174.62 176.24 3m3j h ILE 23 N -0.94 1.24 -0.61 2.99 1.08 -0.77 -0.82 117.51 119.68 3m3j h ILE 23 Ca -0.46 -0.49 0.10 0.00 -0.39 0.00 0.00 64.86 63.61 3m3j h ILE 23 Cb 1.27 -0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 3m3j h ILE 23 CO 0.61 0.24 0.19 -0.08 -0.69 0.00 0.00 178.15 178.43 3m3j h GLU 24 N 1.20 0.34 -0.71 2.37 4.81 -1.21 -0.30 114.58 121.08 3m3j h GLU 24 Ca 0.32 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3m3j h GLU 24 Cb -0.08 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 3m3j h GLU 24 CO -0.06 0.23 0.44 -0.91 -0.73 0.00 0.00 179.01 177.97 3m3j h ASN 25 N 0.35 0.72 -0.52 1.04 2.35 -1.46 -0.76 115.58 117.29 3m3j h ASN 25 Ca 0.31 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 3m3j h ASN 25 Cb 0.42 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3m3j h ASN 25 CO -0.34 0.49 0.21 0.58 -1.65 0.00 0.00 177.43 176.72 3m3j h VAL 26 N 0.86 1.22 -0.71 2.81 2.07 -0.44 -1.71 116.25 120.36 3m3j h VAL 26 Ca 0.29 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3m3j h VAL 26 Cb 0.04 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3m3j h VAL 26 CO -0.12 0.26 0.36 0.11 0.02 0.00 0.00 177.57 178.20 3m3j h LYS 27 N 0.71 0.99 -0.93 1.57 1.57 -0.77 0.13 116.57 119.83 3m3j h LYS 27 Ca 0.17 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3m3j h LYS 27 Cb 0.20 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3m3j h LYS 27 CO -0.01 0.74 0.57 0.00 -0.57 0.00 0.00 179.45 180.19 3m3j h ALA 28 N 1.41 1.18 -0.58 3.86 0.00 -0.75 0.16 119.26 124.53 3m3j h ALA 28 Ca 0.25 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3m3j h ALA 28 Cb 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3m3j h ALA 28 CO -0.04 0.62 -0.01 0.87 0.00 0.00 0.00 179.25 180.69 3m3j h LYS 29 N 1.27 1.02 -0.46 0.00 1.57 -0.36 -1.70 116.57 117.92 3m3j h LYS 29 Ca 0.33 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3m3j h LYS 29 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3m3j h LYS 29 CO -0.07 1.01 0.08 0.82 -0.57 0.00 0.00 179.45 180.73 3m3j h ILE 30 N 0.94 1.24 -0.72 1.86 2.04 -0.55 -2.67 117.51 119.64 3m3j h ILE 30 Ca 0.17 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.24 3m3j h ILE 30 Cb 0.56 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 3m3j h ILE 30 CO 0.03 0.31 0.34 -0.61 0.00 0.00 0.00 178.15 178.22 3m3j h GLN 31 N 0.63 0.54 -0.08 2.37 4.15 -0.45 0.55 115.11 122.82 3m3j h GLN 31 Ca 0.14 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3m3j h GLN 31 Cb 0.37 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3m3j h GLN 31 CO 0.01 0.36 -0.41 0.22 -1.93 0.00 0.00 178.83 177.08 3m3j h ASP 32 N 0.55 -1.26 1.27 -0.69 3.58 -1.10 0.12 116.42 118.89 3m3j h ASP 32 Ca 0.37 0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.90 3m3j h ASP 32 Cb 0.44 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 3m3j h ASP 32 CO -0.30 -0.43 -0.38 0.11 -2.88 0.00 0.00 179.24 175.35 3m3j h LYS 33 N -0.51 0.00 0.00 0.28 1.57 -0.92 -3.37 116.57 113.62 3m3j h LYS 33 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3m3j h LYS 33 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3m3j h LYS 33 CO -0.36 0.38 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3m3j n GLU 34 N -3.31 1.99 -0.81 3.15 -0.58 0.18 -5.00 120.64 116.26 3m3j n GLU 34 Ca 0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 3m3j n GLU 34 Cb 0.61 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 3m3j n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m3j n GLY 35 N 0.32 0.28 3.65 0.62 0.00 0.41 -4.94 105.19 105.53 3m3j n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3m3j n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3j s ILE 36 N -1.78 4.43 0.25 -0.61 1.01 -1.26 -4.99 121.20 118.24 3m3j s ILE 36 Ca 0.00 1.67 -0.31 0.00 0.00 0.00 0.00 60.65 62.01 3m3j s ILE 36 Cb 0.00 -4.27 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 3m3j s ILE 36 CO 0.00 -0.36 1.58 -2.65 0.00 0.00 0.00 174.94 173.51 3m3j n PRO 37 N 6.80 2.50 -0.36 2.79 -0.02 -1.26 -3.99 135.00 141.45 3m3j n PRO 37 Ca 0.13 0.89 0.27 0.00 -2.02 0.00 0.00 63.50 62.77 3m3j n PRO 37 Cb 0.46 -2.66 0.55 0.00 -0.02 0.00 0.00 33.50 31.84 3m3j n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3m3j h PRO 38 N 5.20 0.28 0.00 0.52 0.11 -1.94 -1.61 132.00 134.56 3m3j h PRO 38 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m3j h PRO 38 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m3j h PRO 38 CO 0.83 0.19 0.00 0.38 -0.21 0.00 0.00 178.00 179.19 3m3j h ASP 39 N 0.29 0.00 -0.33 -2.05 2.03 -1.99 -1.13 116.42 113.24 3m3j h ASP 39 Ca 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.97 3m3j h ASP 39 Cb 1.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.34 3m3j h ASP 39 CO -0.35 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.86 3m3j n GLN 40 N -2.32 2.25 -4.03 4.15 6.02 -0.61 -4.92 117.38 117.92 3m3j n GLN 40 Ca 0.02 -2.03 -0.36 0.00 -0.01 0.00 0.00 57.00 54.62 3m3j n GLN 40 Cb 0.23 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 3m3j n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3m3j s GLN 41 N -1.18 3.36 -0.06 -1.09 -0.21 -0.43 -0.82 119.66 119.24 3m3j s GLN 41 Ca 0.30 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.47 3m3j s GLN 41 Cb 0.17 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 31.12 3m3j s GLN 41 CO 0.23 0.71 -0.10 1.03 -2.12 0.00 0.00 175.29 175.04 3m3j s ARG 42 N -0.85 1.45 -0.04 2.91 1.81 -0.01 -4.95 118.95 119.26 3m3j s ARG 42 Ca 0.13 -0.32 -0.01 0.00 -1.72 0.00 0.00 55.73 53.81 3m3j s ARG 42 Cb -0.12 -1.24 -0.04 0.00 -0.45 0.00 0.00 34.95 33.10 3m3j s ARG 42 CO 0.03 -0.01 0.03 -0.51 -0.68 0.00 0.00 175.30 174.16 3m3j s LEU 43 N 0.75 3.69 -0.04 2.53 1.43 -1.26 -0.65 118.68 125.13 3m3j s LEU 43 Ca -0.13 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3m3j s LEU 43 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3m3j s LEU 43 CO 0.03 0.33 -0.12 -0.63 0.23 0.00 0.00 176.35 176.18 3m3j s ILE 44 N -1.02 1.04 -0.04 -0.59 1.01 0.72 -0.15 121.20 122.18 3m3j s ILE 44 Ca 0.17 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3m3j s ILE 44 Cb -0.12 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3m3j s ILE 44 CO 0.07 0.32 0.23 0.12 0.00 0.00 0.00 174.94 175.68 3m3j s PHE 45 N 0.20 -0.14 -1.42 3.97 5.36 -0.73 -1.26 117.98 123.97 3m3j s PHE 45 Ca -0.05 0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.16 3m3j s PHE 45 Cb -0.10 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.63 3m3j s PHE 45 CO 0.01 -0.27 0.21 0.00 -1.46 0.00 0.00 175.22 173.71 3m3j n ALA 46 N 1.89 -0.82 -1.02 11.12 0.00 -1.26 -1.20 120.51 129.22 3m3j n ALA 46 Ca -0.19 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3m3j n ALA 46 Cb 0.57 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 3m3j n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3j n GLY 47 N -1.09 0.35 3.31 0.00 0.00 -1.26 -4.99 105.19 101.52 3m3j n GLY 47 Ca -0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3m3j n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m3j s LYS 48 N -1.07 2.06 0.00 1.61 -0.14 -0.34 -5.09 119.74 116.77 3m3j s LYS 48 Ca 0.00 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.35 3m3j s LYS 48 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 3m3j s LYS 48 CO 0.00 0.55 1.15 -1.14 -0.76 0.00 0.00 175.35 175.15 3m3j s GLN 49 N -0.71 4.43 0.31 1.68 0.74 -1.26 -1.76 119.66 123.09 3m3j s GLN 49 Ca 0.10 1.65 -0.20 0.00 0.05 0.00 0.00 55.36 56.96 3m3j s GLN 49 Cb -0.10 -3.45 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 3m3j s GLN 49 CO -0.01 -0.28 0.82 -0.51 -0.55 0.00 0.00 175.29 174.76 3m3j s LEU 50 N 1.48 4.18 0.01 3.68 1.43 0.79 -4.98 118.68 125.28 3m3j s LEU 50 Ca 0.56 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.96 3m3j s LEU 50 Cb -0.26 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 3m3j s LEU 50 CO 0.26 -0.13 0.64 -1.61 0.23 0.00 0.00 176.35 175.74 3m3j s GLU 51 N -2.52 4.37 0.43 1.70 2.02 -1.26 -4.71 118.70 118.74 3m3j s GLU 51 Ca 0.51 0.83 0.20 0.00 0.02 0.00 0.00 54.97 56.53 3m3j s GLU 51 Cb -0.14 -3.34 1.15 0.00 0.10 0.00 0.00 34.13 31.89 3m3j s GLU 51 CO 0.19 0.35 1.85 -0.44 0.02 0.00 0.00 175.26 177.23 3m3j h ASP 52 N 5.60 0.35 0.33 -0.19 3.45 -1.97 -2.37 116.42 121.63 3m3j h ASP 52 Ca -0.45 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3m3j h ASP 52 Cb 1.20 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3m3j h ASP 52 CO 0.70 0.13 -0.34 0.61 -1.57 0.00 0.00 179.24 178.77 3m3j n GLY 53 N -1.54 -0.84 3.92 2.75 0.00 -1.26 -0.74 105.19 107.47 3m3j n GLY 53 Ca 0.20 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 3m3j n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m3j s ARG 54 N -2.67 3.57 0.28 1.61 1.81 -0.89 -4.87 118.95 117.79 3m3j s ARG 54 Ca 0.20 -0.06 0.04 0.00 -1.72 0.00 0.00 55.73 54.19 3m3j s ARG 54 Cb 0.19 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 32.07 3m3j s ARG 54 CO 0.58 0.11 0.42 0.95 -0.68 0.00 0.00 175.30 176.68 3m3j s THR 55 N -2.29 5.04 0.33 0.02 -4.23 -1.26 -0.82 115.64 112.43 3m3j s THR 55 Ca 0.43 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 60.12 3m3j s THR 55 Cb -0.10 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.25 3m3j s THR 55 CO 0.35 -0.35 1.88 -0.07 -0.54 0.00 0.00 174.62 175.88 3m3j h LEU 56 N 1.03 0.76 -0.53 4.79 3.38 -1.01 -1.84 115.31 121.89 3m3j h LEU 56 Ca -0.51 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3m3j h LEU 56 Cb 1.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3m3j h LEU 56 CO 0.60 0.42 0.35 -1.28 0.09 0.00 0.00 178.44 178.61 3m3j h SER 57 N 0.82 0.62 -0.70 -0.43 0.87 -1.45 -1.81 113.55 111.47 3m3j h SER 57 Ca 0.44 -0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.12 3m3j h SER 57 Cb 0.54 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 3m3j h SER 57 CO -0.20 0.45 0.47 -0.78 -0.53 0.00 0.00 176.83 176.24 3m3j h ASP 58 N 0.72 0.33 -0.34 6.23 3.58 -1.61 -0.98 116.42 124.35 3m3j h ASP 58 Ca 0.19 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3m3j h ASP 58 Cb -0.07 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3m3j h ASP 58 CO -0.04 0.17 0.00 -1.22 -2.88 0.00 0.00 179.24 175.27 3m3j n TYR 59 N -4.46 0.44 -3.42 0.28 4.02 -0.80 -4.93 117.16 108.28 3m3j n TYR 59 Ca 0.13 -0.22 -0.23 0.00 -0.01 0.00 0.00 57.90 57.57 3m3j n TYR 59 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.91 3m3j n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3m3j n ASN 60 N 0.99 -6.19 -4.57 7.72 4.05 -0.37 -4.95 115.26 111.94 3m3j n ASN 60 Ca 0.18 -0.46 -0.43 0.00 0.45 0.00 0.00 54.58 54.32 3m3j n ASN 60 Cb 0.48 -4.87 -0.04 0.00 1.23 0.00 0.00 39.78 36.58 3m3j n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3m3j s ILE 61 N -3.27 4.58 0.41 -1.44 1.01 -0.75 -5.03 121.20 116.71 3m3j s ILE 61 Ca 0.50 0.78 0.06 0.00 0.00 0.00 0.00 60.65 62.00 3m3j s ILE 61 Cb -0.22 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 37.91 3m3j s ILE 61 CO 0.62 -0.68 0.57 -1.10 0.00 0.00 0.00 174.94 174.35 3m3j s GLN 62 N 3.48 2.89 0.22 2.79 -0.21 -1.26 -4.65 119.66 122.91 3m3j s GLN 62 Ca 0.35 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 3m3j s GLN 62 Cb -0.11 -2.74 -0.15 0.00 1.00 0.00 0.00 33.01 31.01 3m3j s GLN 62 CO 0.22 -0.23 0.99 0.36 -2.12 0.00 0.00 175.29 174.52 3m3j n LYS 63 N -1.86 1.03 -1.15 2.91 2.85 -1.26 -1.91 118.16 118.77 3m3j n LYS 63 Ca 0.05 0.36 -0.05 0.00 -1.05 0.00 0.00 58.31 57.63 3m3j n LYS 63 Cb 0.59 -1.73 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 3m3j n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3m3j n GLU 64 N 1.18 -1.06 -1.11 -1.58 -0.58 0.12 -5.00 120.64 112.60 3m3j n GLU 64 Ca 0.13 0.56 -0.31 0.00 -0.42 0.00 0.00 57.16 57.12 3m3j n GLU 64 Cb 0.27 -4.51 0.11 0.00 -0.57 0.00 0.00 31.44 26.74 3m3j n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3m3j s SER 65 N -2.35 4.06 -0.14 1.62 0.01 -0.80 -4.72 113.70 111.37 3m3j s SER 65 Ca 0.00 1.94 -0.03 0.00 1.31 0.00 0.00 55.95 59.17 3m3j s SER 65 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 3m3j s SER 65 CO 0.00 -2.34 -0.04 -0.89 0.41 0.00 0.00 173.24 170.38 3m3j s THR 66 N -2.80 3.92 0.03 1.44 2.01 -1.26 -0.61 115.64 118.36 3m3j s THR 66 Ca 0.63 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.29 3m3j s THR 66 Cb -0.19 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 3m3j s THR 66 CO 0.56 0.51 0.06 -0.76 -0.69 0.00 0.00 174.62 174.30 3m3j s LEU 67 N 0.14 3.76 -0.10 4.42 1.43 0.19 -4.91 118.68 123.61 3m3j s LEU 67 Ca -0.01 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3m3j s LEU 67 Cb -0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3m3j s LEU 67 CO 0.03 0.24 0.16 -1.00 0.23 0.00 0.00 176.35 176.01 3m3j s HIS 68 N -1.23 3.60 -0.20 0.29 3.76 -0.39 -1.01 115.29 120.11 3m3j s HIS 68 Ca 0.24 0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 55.64 3m3j s HIS 68 Cb -0.12 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 3m3j s HIS 68 CO 0.16 0.72 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.58 3m3j s LEU 69 N -1.17 3.13 -0.07 0.89 2.96 -0.09 -0.20 118.68 124.14 3m3j s LEU 69 Ca 0.17 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3m3j s LEU 69 Cb -0.12 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3m3j s LEU 69 CO 0.07 0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.34 3m3j s VAL 70 N 1.06 3.29 0.15 1.68 1.01 0.17 -4.12 120.40 123.66 3m3j s VAL 70 Ca 0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3m3j s VAL 70 Cb -0.14 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3m3j s VAL 70 CO 0.01 0.58 0.35 -0.76 0.00 0.00 0.00 175.10 175.28 3m3j s LEU 71 N -0.57 4.27 -0.14 3.92 1.43 -1.26 -0.83 118.68 125.50 3m3j s LEU 71 Ca 0.08 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3m3j s LEU 71 Cb -0.12 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.93 3m3j s LEU 71 CO 0.02 0.03 -0.22 -0.60 0.23 0.00 0.00 176.35 175.81 3m3j s ARG 72 N -2.92 3.02 -0.14 1.70 3.52 0.00 -4.93 118.95 119.20 3m3j s ARG 72 Ca 0.39 -0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3m3j s ARG 72 Cb -0.12 -2.42 0.05 0.00 -1.56 0.00 0.00 34.95 30.91 3m3j s ARG 72 CO 0.27 0.01 0.09 -0.51 -0.81 0.00 0.00 175.30 174.34 3m3j s LEU 73 N 0.77 0.27 0.02 -0.88 1.02 -1.26 -4.70 118.68 113.92 3m3j s LEU 73 Ca -0.08 -0.43 -0.30 0.00 0.02 0.00 0.00 54.13 53.34 3m3j s LEU 73 Cb -0.16 -0.19 -0.08 0.00 0.02 0.00 0.00 46.19 45.78 3m3j s LEU 73 CO -0.01 -0.32 1.86 -0.13 0.02 0.00 0.00 176.35 177.76 3m3j s ARG 74 N 2.16 4.16 0.00 1.70 0.52 -1.26 -1.80 118.95 124.42 3m3j s ARG 74 Ca 0.03 2.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 3m3j s ARG 74 Cb -0.15 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.28 3m3j s ARG 74 CO -0.08 -0.91 0.00 0.41 0.02 0.00 0.00 175.30 174.75 3m3j n GLY 75 N 4.38 1.88 0.75 -3.53 0.00 -1.26 -5.34 105.19 102.08 3m3j n GLY 75 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3m3j n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93