#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 4.13 0.33 3.17 0.74 -1.26 -0.43 119.66 126.33 3m3j s GLN 2 Ca 0.00 -0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.47 3m3j s GLN 2 Cb 0.00 -3.39 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 3m3j s GLN 2 CO 0.00 0.34 -0.06 0.96 -0.55 0.00 0.00 175.29 175.98 3m3j s ILE 3 N 0.19 1.91 -0.08 -2.34 -4.36 -0.36 0.21 121.20 116.37 3m3j s ILE 3 Ca 0.14 -2.14 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3m3j s ILE 3 Cb -0.12 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 3m3j s ILE 3 CO 0.03 -0.20 0.09 -0.36 0.24 0.00 0.00 174.94 174.74 3m3j s PHE 4 N -2.82 3.41 -0.16 1.37 0.40 0.01 -1.08 117.98 119.10 3m3j s PHE 4 Ca 0.32 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 3m3j s PHE 4 Cb 0.04 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.74 3m3j s PHE 4 CO 0.15 0.62 -0.16 0.08 0.70 0.00 0.00 175.22 176.60 3m3j s VAL 5 N -1.05 1.76 -0.03 -0.44 1.01 0.01 -0.77 120.40 120.89 3m3j s VAL 5 Ca 0.17 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3m3j s VAL 5 Cb -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3m3j s VAL 5 CO 0.07 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 174.90 3m3j s LYS 6 N 1.39 1.94 0.79 2.72 1.02 -0.28 -1.26 119.74 126.06 3m3j s LYS 6 Ca 0.05 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 3m3j s LYS 6 Cb -0.13 -1.77 0.10 0.00 -0.52 0.00 0.00 37.83 35.51 3m3j s LYS 6 CO -0.11 0.40 1.12 0.95 -0.92 0.00 0.00 175.35 176.79 3m3j s THR 7 N -0.30 2.13 -0.90 2.17 -4.23 0.32 -0.44 115.64 114.40 3m3j s THR 7 Ca 0.03 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.45 3m3j s THR 7 Cb -0.10 -2.96 0.41 0.00 1.34 0.00 0.00 72.50 71.18 3m3j s THR 7 CO 0.01 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.44 3m3j n LEU 8 N -3.20 3.16 -0.12 4.79 4.32 -1.25 -3.54 117.00 121.16 3m3j n LEU 8 Ca 0.10 -1.60 0.07 0.00 -0.02 0.00 0.00 56.01 54.56 3m3j n LEU 8 Cb 0.60 -0.53 0.10 0.00 -1.62 0.00 0.00 43.42 41.97 3m3j n LEU 8 CO 0.51 0.46 0.51 0.35 -1.22 0.00 0.00 177.39 178.00 3m3j n THR 9 N 0.38 1.44 -0.45 -5.08 -2.24 -1.26 -5.00 114.28 102.08 3m3j n THR 9 Ca 0.14 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 3m3j n THR 9 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.06 0.83 3.74 3.38 0.00 -1.23 -5.04 105.19 105.80 3m3j n GLY 10 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.50 4.35 -0.02 1.61 2.20 -1.26 -4.94 119.74 121.19 3m3j s LYS 11 Ca 0.00 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.32 3m3j s LYS 11 Cb 0.00 -3.40 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3m3j s LYS 11 CO 0.00 0.22 -0.10 0.99 -0.36 0.00 0.00 175.35 176.10 3m3j s THR 12 N 0.34 0.80 0.16 3.43 2.01 -1.26 -0.52 115.64 120.60 3m3j s THR 12 Ca 0.31 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.94 3m3j s THR 12 Cb -0.17 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3m3j s THR 12 CO 0.15 0.24 -0.08 0.27 -0.69 0.00 0.00 174.62 174.51 3m3j s ILE 13 N -0.07 1.09 0.20 1.82 -4.36 -0.39 -5.00 121.20 114.50 3m3j s ILE 13 Ca 0.01 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 3m3j s ILE 13 Cb -0.06 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 3m3j s ILE 13 CO -0.00 -0.66 0.34 0.42 0.24 0.00 0.00 174.94 175.28 3m3j s THR 14 N -3.38 5.27 -0.03 8.37 -4.23 -1.26 -0.81 115.64 119.57 3m3j s THR 14 Ca 0.19 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3m3j s THR 14 Cb 0.03 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.10 3m3j s THR 14 CO 0.02 -0.21 0.07 -0.22 -0.54 0.00 0.00 174.62 173.74 3m3j s LEU 15 N -3.55 1.53 -0.25 4.79 2.96 -0.24 -4.90 118.68 119.03 3m3j s LEU 15 Ca 0.35 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 54.23 3m3j s LEU 15 Cb -0.10 0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 3m3j s LEU 15 CO 0.29 -0.05 0.47 -0.70 -1.32 0.00 0.00 176.35 175.04 3m3j s GLU 16 N 0.33 4.09 0.07 1.98 2.56 -1.26 -1.22 118.70 125.25 3m3j s GLU 16 Ca -0.02 0.27 -0.00 0.00 0.00 0.00 0.00 54.97 55.21 3m3j s GLU 16 Cb -0.04 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 3m3j s GLU 16 CO -0.01 -0.27 -0.04 0.14 -0.56 0.00 0.00 175.26 174.53 3m3j s VAL 17 N 2.03 0.38 0.00 3.70 -7.23 0.42 -4.93 120.40 114.78 3m3j s VAL 17 Ca 0.20 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3m3j s VAL 17 Cb -0.15 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3m3j s VAL 17 CO 0.09 -0.92 0.20 -1.61 -0.31 0.00 0.00 175.10 172.56 3m3j s GLU 18 N -3.90 3.47 0.54 4.82 2.02 -1.26 -0.25 118.70 124.14 3m3j s GLU 18 Ca 0.10 -0.28 0.26 0.00 0.02 0.00 0.00 54.97 55.07 3m3j s GLU 18 Cb 0.07 -3.08 1.43 0.00 0.10 0.00 0.00 34.13 32.65 3m3j s GLU 18 CO -0.07 0.66 1.99 -1.35 0.02 0.00 0.00 175.26 176.51 3m3j h PRO 19 N 3.77 0.00 -0.01 0.39 0.11 -1.96 -0.95 132.00 133.34 3m3j h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m3j h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m3j h PRO 19 CO 0.69 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.30 3m3j n SER 20 N -4.26 0.77 -4.74 -2.05 3.41 -1.26 -1.30 113.62 104.18 3m3j n SER 20 Ca 0.09 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 3m3j n SER 20 Cb 0.60 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.19 6.56 0.68 4.04 1.01 -0.36 -4.81 116.67 121.60 3m3j s ASP 21 Ca 0.37 2.75 -0.11 0.00 0.71 0.00 0.00 52.55 56.26 3m3j s ASP 21 Cb 0.21 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 3m3j s ASP 21 CO 0.40 -0.78 1.06 0.42 0.21 0.00 0.00 175.17 176.48 3m3j s THR 22 N 0.15 4.11 0.34 -1.27 -4.23 -1.26 -1.34 115.64 112.13 3m3j s THR 22 Ca 0.62 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.83 3m3j s THR 22 Cb -0.44 -3.52 0.27 0.00 1.34 0.00 0.00 72.50 70.15 3m3j s THR 22 CO 0.43 -0.90 1.99 0.40 -0.54 0.00 0.00 174.62 176.00 3m3j h ILE 23 N -0.63 1.15 -0.41 2.99 1.08 -0.90 -0.14 117.51 120.65 3m3j h ILE 23 Ca -0.44 -0.31 0.07 0.00 -0.39 0.00 0.00 64.86 63.79 3m3j h ILE 23 Cb 1.21 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 3m3j h ILE 23 CO 0.59 0.17 0.02 -0.33 -0.69 0.00 0.00 178.15 177.91 3m3j h GLU 24 N 0.91 0.13 -0.76 2.37 5.08 -1.61 -1.16 114.58 119.53 3m3j h GLU 24 Ca 0.27 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3m3j h GLU 24 Cb -0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3m3j h GLU 24 CO -0.07 0.08 0.48 -0.91 -1.00 0.00 0.00 179.01 177.59 3m3j h ASN 25 N 0.13 0.90 -0.58 1.42 2.35 -1.37 -2.27 115.58 116.17 3m3j h ASN 25 Ca 0.20 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3m3j h ASN 25 Cb 0.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3m3j h ASN 25 CO -0.32 0.69 0.26 0.58 -1.65 0.00 0.00 177.43 176.98 3m3j h VAL 26 N 1.04 1.22 -0.87 2.81 2.07 -0.58 -0.71 116.25 121.23 3m3j h VAL 26 Ca 0.28 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3m3j h VAL 26 Cb -0.06 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3m3j h VAL 26 CO -0.05 0.25 0.56 0.11 0.02 0.00 0.00 177.57 178.46 3m3j h LYS 27 N 0.79 1.05 -0.61 1.57 1.57 -1.00 0.56 116.57 120.50 3m3j h LYS 27 Ca 0.20 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3m3j h LYS 27 Cb 0.16 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3m3j h LYS 27 CO -0.02 0.69 0.14 0.00 -0.57 0.00 0.00 179.45 179.70 3m3j h ALA 28 N 1.37 1.10 -0.47 3.86 0.00 -0.84 0.94 119.26 125.22 3m3j h ALA 28 Ca 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3m3j h ALA 28 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3m3j h ALA 28 CO -0.12 0.60 -0.06 0.87 0.00 0.00 0.00 179.25 180.54 3m3j h LYS 29 N 0.91 0.81 -0.62 0.00 1.57 -0.11 -1.42 116.57 117.72 3m3j h LYS 29 Ca 0.20 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3m3j h LYS 29 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3m3j h LYS 29 CO 0.00 0.85 0.07 0.82 -0.57 0.00 0.00 179.45 180.63 3m3j h ILE 30 N 0.75 1.26 -0.74 1.86 2.04 -0.44 -2.09 117.51 120.15 3m3j h ILE 30 Ca 0.13 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3m3j h ILE 30 Cb 0.53 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3m3j h ILE 30 CO 0.03 0.38 0.47 -0.61 0.00 0.00 0.00 178.15 178.42 3m3j h GLN 31 N 0.96 0.99 -0.52 2.37 4.15 -0.49 0.22 115.11 122.79 3m3j h GLN 31 Ca 0.19 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 3m3j h GLN 31 Cb 0.45 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3m3j h GLN 31 CO 0.02 0.68 0.11 -0.44 -1.93 0.00 0.00 178.83 177.26 3m3j h ASP 32 N 1.00 0.75 0.18 -0.69 3.32 -0.99 0.97 116.42 120.96 3m3j h ASP 32 Ca 0.27 -0.14 -0.35 0.00 0.02 0.00 0.00 57.03 56.82 3m3j h ASP 32 Cb -0.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3m3j h ASP 32 CO -0.05 0.75 -1.83 0.50 -1.72 0.00 0.00 179.24 176.89 3m3j h LYS 33 N 0.77 0.35 0.00 3.56 3.64 -1.09 -3.41 116.57 120.38 3m3j h LYS 33 Ca 0.17 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3m3j h LYS 33 Cb 0.31 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3m3j h LYS 33 CO 0.00 1.27 -0.46 0.39 -2.27 0.00 0.00 179.45 178.38 3m3j n GLU 34 N -3.55 4.08 -0.99 1.90 -0.58 0.76 -5.01 120.64 117.25 3m3j n GLU 34 Ca -0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 3m3j n GLU 34 Cb 1.07 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 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 1.28 0.48 3.65 0.62 0.00 0.33 -5.00 105.19 106.55 3m3j n GLY 35 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.04 4.79 0.12 -0.61 1.01 -1.26 -4.98 121.20 118.23 3m3j s ILE 36 Ca 0.00 1.72 -0.34 0.00 0.00 0.00 0.00 60.65 62.03 3m3j s ILE 36 Cb 0.00 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 3m3j s ILE 36 CO 0.00 -0.11 1.60 -2.65 0.00 0.00 0.00 174.94 173.79 3m3j n PRO 37 N 6.09 2.09 -0.34 2.79 -0.02 -1.26 -3.89 135.00 140.46 3m3j n PRO 37 Ca 0.08 0.76 0.21 0.00 -2.02 0.00 0.00 63.50 62.52 3m3j n PRO 37 Cb 0.47 -2.53 0.44 0.00 -0.02 0.00 0.00 33.50 31.87 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 6.27 0.46 0.00 0.52 0.11 -1.95 -0.12 132.00 137.29 3m3j h PRO 38 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m3j h PRO 38 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m3j h PRO 38 CO 0.89 0.30 0.00 0.38 -0.21 0.00 0.00 178.00 179.36 3m3j h ASP 39 N 0.47 0.00 0.73 -2.05 3.04 -1.97 -0.94 116.42 115.70 3m3j h ASP 39 Ca 0.65 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.44 3m3j h ASP 39 Cb 1.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 3m3j h ASP 39 CO -0.44 0.00 -0.38 0.00 -2.04 0.00 0.00 179.24 176.38 3m3j n GLN 40 N -2.82 0.07 -3.41 4.15 6.02 -0.06 -4.85 117.38 116.47 3m3j n GLN 40 Ca -0.01 0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 3m3j n GLN 40 Cb 0.15 -1.55 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.04 4.05 -0.07 -1.09 -0.21 -0.36 -0.30 119.66 118.64 3m3j s GLN 41 Ca 0.11 0.51 0.02 0.00 0.02 0.00 0.00 55.36 56.01 3m3j s GLN 41 Cb 0.17 -3.25 0.02 0.00 1.00 0.00 0.00 33.01 30.94 3m3j s GLN 41 CO 0.66 0.61 -0.11 1.03 -2.12 0.00 0.00 175.29 175.36 3m3j s ARG 42 N -0.86 1.63 -0.00 2.91 1.81 -0.24 -4.91 118.95 119.29 3m3j s ARG 42 Ca 0.25 -0.37 0.01 0.00 -1.72 0.00 0.00 55.73 53.91 3m3j s ARG 42 Cb -0.17 -1.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 3m3j s ARG 42 CO 0.15 -0.04 0.01 -0.51 -0.68 0.00 0.00 175.30 174.23 3m3j s LEU 43 N 0.88 3.56 -0.02 2.53 1.43 -1.26 -1.44 118.68 124.36 3m3j s LEU 43 Ca -0.10 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3m3j s LEU 43 Cb -0.15 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3m3j s LEU 43 CO 0.01 0.28 -0.10 -0.63 0.23 0.00 0.00 176.35 176.14 3m3j s ILE 44 N -1.10 0.81 -0.13 -0.59 1.01 -0.04 -0.32 121.20 120.84 3m3j s ILE 44 Ca 0.20 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 3m3j s ILE 44 Cb -0.12 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.68 3m3j s ILE 44 CO 0.11 0.25 0.42 0.12 0.00 0.00 0.00 174.94 175.84 3m3j s PHE 45 N 0.14 -0.43 -1.48 3.97 5.36 -0.60 -1.51 117.98 123.43 3m3j s PHE 45 Ca -0.02 1.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.84 3m3j s PHE 45 Cb -0.08 0.16 0.06 0.00 -0.34 0.00 0.00 43.02 42.82 3m3j s PHE 45 CO 0.00 -0.27 0.98 0.00 -1.46 0.00 0.00 175.22 174.47 3m3j n ALA 46 N 2.48 -1.24 -0.87 11.12 0.00 -1.26 -1.66 120.51 129.08 3m3j n ALA 46 Ca -0.15 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3m3j n ALA 46 Cb 0.57 -4.63 0.00 0.00 0.00 0.00 0.00 19.45 15.39 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 -1.73 0.59 3.28 0.00 0.00 -1.26 -5.00 105.19 101.06 3m3j n GLY 47 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3m3j n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3j s LYS 48 N -0.41 1.14 -0.01 1.61 0.00 -0.66 -5.12 119.74 116.29 3m3j s LYS 48 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 55.97 54.18 3m3j s LYS 48 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 37.83 37.05 3m3j s LYS 48 CO 0.00 0.10 1.12 -1.14 0.00 0.00 0.00 175.35 175.42 3m3j s GLN 49 N -3.73 4.44 0.46 1.78 0.74 -1.26 -1.55 119.66 120.54 3m3j s GLN 49 Ca 0.19 1.60 -0.19 0.00 0.05 0.00 0.00 55.36 57.00 3m3j s GLN 49 Cb 0.02 -3.47 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 3m3j s GLN 49 CO 0.02 -0.27 0.96 -0.51 -0.55 0.00 0.00 175.29 174.94 3m3j s LEU 50 N 1.54 3.82 -0.17 3.68 1.43 0.57 -4.96 118.68 124.59 3m3j s LEU 50 Ca 0.55 1.64 -0.09 0.00 -1.03 0.00 0.00 54.13 55.19 3m3j s LEU 50 Cb -0.24 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 3m3j s LEU 50 CO 0.25 -0.45 0.15 -1.61 0.23 0.00 0.00 176.35 174.93 3m3j s GLU 51 N -3.52 3.95 0.45 1.70 2.02 -1.26 -4.74 118.70 117.29 3m3j s GLU 51 Ca 0.61 -0.15 0.23 0.00 0.02 0.00 0.00 54.97 55.67 3m3j s GLU 51 Cb -0.09 -3.34 1.22 0.00 0.10 0.00 0.00 34.13 32.02 3m3j s GLU 51 CO 0.20 0.46 1.81 -0.44 0.02 0.00 0.00 175.26 177.31 3m3j h ASP 52 N 6.09 0.30 -0.01 -0.19 3.45 -1.97 -1.80 116.42 122.30 3m3j h ASP 52 Ca -0.46 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3m3j h ASP 52 Cb 1.18 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3m3j h ASP 52 CO 0.70 0.08 -0.02 0.61 -1.57 0.00 0.00 179.24 179.03 3m3j n GLY 53 N -1.57 0.29 3.91 2.75 0.00 -1.26 -1.76 105.19 107.55 3m3j n GLY 53 Ca 0.23 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.04 3.59 0.31 1.61 1.81 -0.68 -4.88 118.95 118.68 3m3j s ARG 54 Ca 0.34 0.12 0.07 0.00 -1.72 0.00 0.00 55.73 54.54 3m3j s ARG 54 Cb 0.21 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 32.20 3m3j s ARG 54 CO 0.34 -0.03 0.31 0.95 -0.68 0.00 0.00 175.30 176.18 3m3j s THR 55 N -2.48 3.94 0.23 0.02 -4.23 -1.26 -0.90 115.64 110.97 3m3j s THR 55 Ca 0.46 -1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 3m3j s THR 55 Cb -0.10 -3.32 0.19 0.00 1.34 0.00 0.00 72.50 70.61 3m3j s THR 55 CO 0.38 -0.22 1.75 -0.07 -0.54 0.00 0.00 174.62 175.92 3m3j h LEU 56 N 1.23 0.33 -1.37 4.79 3.38 -1.21 -2.13 115.31 120.32 3m3j h LEU 56 Ca -0.46 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3m3j h LEU 56 Cb 1.25 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3m3j h LEU 56 CO 0.58 0.17 0.31 -1.28 0.09 0.00 0.00 178.44 178.30 3m3j h SER 57 N 0.49 0.65 -0.64 -0.43 0.87 -1.40 -1.34 113.55 111.74 3m3j h SER 57 Ca 0.37 -0.04 0.18 0.00 -1.23 0.00 0.00 61.79 61.08 3m3j h SER 57 Cb 0.48 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3m3j h SER 57 CO -0.34 0.51 0.46 0.44 -0.53 0.00 0.00 176.83 177.38 3m3j h ASP 58 N 0.74 0.01 -0.21 6.23 3.45 -1.66 -0.37 116.42 124.62 3m3j h ASP 58 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3m3j h ASP 58 Cb -0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3m3j h ASP 58 CO -0.03 0.01 0.00 -1.22 -1.57 0.00 0.00 179.24 176.42 3m3j n TYR 59 N -4.35 0.25 -2.66 4.55 4.02 -0.59 -4.95 117.16 113.43 3m3j n TYR 59 Ca 0.12 -0.15 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 3m3j n TYR 59 Cb 0.71 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.04 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 1.19 -5.36 -4.66 7.72 4.05 -0.15 -4.97 115.26 113.08 3m3j n ASN 60 Ca 0.14 -0.15 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 3m3j n ASN 60 Cb 0.52 -4.30 -0.02 0.00 1.23 0.00 0.00 39.78 37.21 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 -3.00 4.40 0.22 -1.44 1.01 -0.72 -5.01 121.20 116.65 3m3j s ILE 61 Ca 0.15 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.50 3m3j s ILE 61 Cb -0.07 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 3m3j s ILE 61 CO 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 174.94 175.02 3m3j n GLN 62 N 6.48 1.07 -1.73 2.79 6.02 -1.26 -4.40 117.38 126.34 3m3j n GLN 62 Ca 0.13 -1.71 -0.42 0.00 -0.01 0.00 0.00 57.00 54.98 3m3j n GLN 62 Cb 0.45 0.70 -0.02 0.00 1.02 0.00 0.00 30.24 32.40 3m3j n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3m3j n LYS 63 N -0.52 2.56 -0.97 -1.09 2.85 -1.26 -1.62 118.16 118.12 3m3j n LYS 63 Ca -0.06 0.91 0.00 0.00 -1.05 0.00 0.00 58.31 58.11 3m3j n LYS 63 Cb 0.30 -2.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.00 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 2.31 -0.13 -0.99 -1.58 -0.58 0.13 -5.00 120.64 114.80 3m3j n GLU 64 Ca 0.10 0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 3m3j n GLU 64 Cb 0.35 -3.01 0.13 0.00 -0.57 0.00 0.00 31.44 28.35 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 -2.45 3.58 -0.08 1.62 0.01 -0.64 -4.72 113.70 111.02 3m3j s SER 65 Ca 0.00 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.21 3m3j s SER 65 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 3m3j s SER 65 CO 0.00 -2.64 -0.18 -0.89 0.41 0.00 0.00 173.24 169.94 3m3j s THR 66 N -2.79 2.69 0.02 1.44 2.01 -1.26 -0.81 115.64 116.93 3m3j s THR 66 Ca 0.64 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.84 3m3j s THR 66 Cb -0.20 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3m3j s THR 66 CO 0.57 0.56 -0.05 -0.76 -0.69 0.00 0.00 174.62 174.26 3m3j s LEU 67 N -0.13 3.28 0.02 4.42 1.43 0.05 -4.88 118.68 122.87 3m3j s LEU 67 Ca -0.03 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3m3j s LEU 67 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3m3j s LEU 67 CO 0.04 0.27 0.20 -1.00 0.23 0.00 0.00 176.35 176.08 3m3j s HIS 68 N -1.06 3.54 -0.11 0.29 3.76 -0.57 -1.13 115.29 120.01 3m3j s HIS 68 Ca 0.19 0.33 0.04 0.00 -0.15 0.00 0.00 55.06 55.46 3m3j s HIS 68 Cb -0.11 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3m3j s HIS 68 CO 0.09 0.62 -0.23 -1.17 -0.85 0.00 0.00 174.74 173.20 3m3j s LEU 69 N -2.15 2.11 0.15 0.89 2.96 0.42 -0.86 118.68 122.20 3m3j s LEU 69 Ca 0.30 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 3m3j s LEU 69 Cb -0.13 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3m3j s LEU 69 CO 0.22 0.14 -0.15 0.68 -1.32 0.00 0.00 176.35 175.92 3m3j s VAL 70 N 0.43 1.57 -0.11 1.68 -7.23 -0.52 -3.93 120.40 112.30 3m3j s VAL 70 Ca -0.17 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.09 3m3j s VAL 70 Cb -0.17 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3m3j s VAL 70 CO 0.07 -0.42 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.65 3m3j s LEU 71 N -2.71 3.40 -0.36 1.32 1.02 -1.26 -1.08 118.68 119.02 3m3j s LEU 71 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 3m3j s LEU 71 Cb -0.04 -1.78 0.09 0.00 0.02 0.00 0.00 46.19 44.47 3m3j s LEU 71 CO 0.05 0.31 0.11 -0.60 0.02 0.00 0.00 176.35 176.23 3m3j s ARG 72 N -0.45 2.08 0.00 1.70 3.00 0.59 -4.98 118.95 120.89 3m3j s ARG 72 Ca 0.08 -1.63 0.28 0.00 -1.00 0.00 0.00 55.73 53.46 3m3j s ARG 72 Cb -0.12 -3.38 1.11 0.00 0.00 0.00 0.00 34.95 32.55 3m3j s ARG 72 CO 0.02 -0.89 1.78 1.28 0.00 0.00 0.00 175.30 177.49