#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 3.25 0.22 3.17 0.74 -1.26 -0.64 119.66 125.13 3m3j s GLN 2 Ca 0.00 -0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.18 3m3j s GLN 2 Cb 0.00 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 31.08 3m3j s GLN 2 CO 0.00 0.69 -0.12 0.96 -0.55 0.00 0.00 175.29 176.27 3m3j s ILE 3 N -0.81 1.63 -0.07 -2.34 -4.36 -0.23 -0.46 121.20 114.56 3m3j s ILE 3 Ca 0.13 -2.17 -0.03 0.00 -0.26 0.00 0.00 60.65 58.32 3m3j s ILE 3 Cb -0.12 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 3m3j s ILE 3 CO 0.03 -0.54 0.06 -0.36 0.24 0.00 0.00 174.94 174.37 3m3j s PHE 4 N -3.04 3.31 -0.14 1.37 0.40 -0.04 -0.85 117.98 118.99 3m3j s PHE 4 Ca 0.24 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 3m3j s PHE 4 Cb 0.01 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.75 3m3j s PHE 4 CO 0.07 0.56 -0.14 0.08 0.70 0.00 0.00 175.22 176.50 3m3j s VAL 5 N -1.03 1.50 -0.04 -0.44 1.01 -0.24 -0.67 120.40 120.50 3m3j s VAL 5 Ca 0.17 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3m3j s VAL 5 Cb -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3m3j s VAL 5 CO 0.07 0.45 -0.19 -0.75 0.00 0.00 0.00 175.10 174.67 3m3j s LYS 6 N 1.43 1.90 0.62 2.72 2.20 -0.20 -1.35 119.74 127.07 3m3j s LYS 6 Ca 0.03 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 3m3j s LYS 6 Cb -0.13 -1.68 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 3m3j s LYS 6 CO -0.09 0.32 0.95 0.95 -0.36 0.00 0.00 175.35 177.12 3m3j s THR 7 N -0.14 3.56 -0.95 3.43 -4.23 -0.24 -0.71 115.64 116.36 3m3j s THR 7 Ca -0.01 0.09 0.20 0.00 -1.18 0.00 0.00 61.69 60.80 3m3j s THR 7 Cb -0.11 -3.44 0.17 0.00 1.34 0.00 0.00 72.50 70.47 3m3j s THR 7 CO 0.02 -0.48 1.64 0.18 -0.54 0.00 0.00 174.62 175.44 3m3j n LEU 8 N -2.69 0.09 -0.87 4.79 4.32 -1.26 -2.27 117.00 119.12 3m3j n LEU 8 Ca 0.05 0.52 0.10 0.00 -0.02 0.00 0.00 56.01 56.66 3m3j n LEU 8 Cb 0.58 -0.50 0.28 0.00 -1.62 0.00 0.00 43.42 42.15 3m3j n LEU 8 CO 0.54 -0.19 0.72 0.35 -1.22 0.00 0.00 177.39 177.59 3m3j n THR 9 N -1.59 0.45 -0.30 -5.08 -2.24 -1.26 -4.94 114.28 99.33 3m3j n THR 9 Ca 0.05 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3m3j n THR 9 Cb 0.24 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.31 0.85 3.70 3.38 0.00 -0.96 -5.06 105.19 108.41 3m3j n GLY 10 Ca 0.17 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.69 4.29 -0.01 1.61 2.20 -1.26 -4.91 119.74 120.97 3m3j s LYS 11 Ca 0.00 0.47 0.08 0.00 -0.36 0.00 0.00 55.97 56.15 3m3j s LYS 11 Cb 0.00 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3m3j s LYS 11 CO 0.00 0.04 -0.25 0.99 -0.36 0.00 0.00 175.35 175.77 3m3j s THR 12 N 0.99 2.00 0.15 3.43 2.01 -1.26 -1.08 115.64 121.87 3m3j s THR 12 Ca 0.26 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.20 3m3j s THR 12 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3m3j s THR 12 CO 0.10 0.54 -0.11 0.27 -0.69 0.00 0.00 174.62 174.73 3m3j s ILE 13 N -0.61 1.24 0.08 1.82 -4.36 -0.46 -4.99 121.20 113.92 3m3j s ILE 13 Ca 0.10 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 3m3j s ILE 13 Cb -0.10 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3m3j s ILE 13 CO -0.01 -0.68 0.22 0.42 0.24 0.00 0.00 174.94 175.13 3m3j s THR 14 N -3.08 5.33 0.02 8.37 -4.23 -1.26 -1.07 115.64 119.71 3m3j s THR 14 Ca 0.16 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 3m3j s THR 14 Cb 0.01 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 3m3j s THR 14 CO 0.02 0.09 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.36 3m3j s LEU 15 N -2.65 2.12 -0.21 4.79 1.43 -0.03 -4.93 118.68 119.19 3m3j s LEU 15 Ca 0.35 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3m3j s LEU 15 Cb -0.13 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 3m3j s LEU 15 CO 0.28 -0.05 0.45 -0.70 0.23 0.00 0.00 176.35 176.56 3m3j s GLU 16 N -0.76 4.15 0.18 1.70 2.56 -1.26 -1.07 118.70 124.22 3m3j s GLU 16 Ca -0.03 0.27 -0.01 0.00 0.00 0.00 0.00 54.97 55.20 3m3j s GLU 16 Cb -0.06 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 3m3j s GLU 16 CO 0.00 -0.13 0.11 0.14 -0.56 0.00 0.00 175.26 174.82 3m3j s VAL 17 N 1.59 0.05 0.17 3.70 -7.23 0.19 -4.95 120.40 113.92 3m3j s VAL 17 Ca 0.21 -1.98 0.11 0.00 -1.81 0.00 0.00 61.98 58.51 3m3j s VAL 17 Cb -0.15 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 3m3j s VAL 17 CO 0.09 -0.12 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.91 3m3j s GLU 18 N -4.13 1.52 0.48 4.82 0.41 -1.26 -0.51 118.70 120.03 3m3j s GLU 18 Ca 0.35 -1.44 0.25 0.00 -0.41 0.00 0.00 54.97 53.72 3m3j s GLU 18 Cb 0.07 -1.89 1.29 0.00 -1.78 0.00 0.00 34.13 31.82 3m3j s GLU 18 CO 0.09 0.42 1.87 -1.35 -0.49 0.00 0.00 175.26 175.80 3m3j h PRO 19 N 3.43 0.19 -0.00 0.39 0.11 -1.96 -0.57 132.00 133.58 3m3j h PRO 19 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m3j h PRO 19 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3m3j h PRO 19 CO 0.45 0.12 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.17 3m3j n SER 20 N -4.40 0.48 -4.75 -2.05 3.41 -1.26 -0.58 113.62 104.48 3m3j n SER 20 Ca 0.19 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.62 3m3j n SER 20 Cb 0.85 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.31 6.72 0.65 4.04 1.01 -0.22 -4.83 116.67 121.73 3m3j s ASP 21 Ca 0.34 2.63 -0.11 0.00 0.71 0.00 0.00 52.55 56.13 3m3j s ASP 21 Cb 0.21 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3m3j s ASP 21 CO 0.43 -0.64 1.04 0.28 0.21 0.00 0.00 175.17 176.50 3m3j s THR 22 N -0.27 4.17 0.29 -1.27 -1.32 -1.26 -1.39 115.64 114.59 3m3j s THR 22 Ca 0.56 0.66 -0.00 0.00 -1.21 0.00 0.00 61.69 61.70 3m3j s THR 22 Cb -0.41 -3.69 0.28 0.00 -1.51 0.00 0.00 72.50 67.17 3m3j s THR 22 CO 0.45 -0.90 1.91 0.40 -2.21 0.00 0.00 174.62 174.27 3m3j h ILE 23 N -0.43 1.08 -0.84 5.08 1.08 -0.55 -0.64 117.51 122.29 3m3j h ILE 23 Ca -0.45 -0.37 0.04 0.00 -0.39 0.00 0.00 64.86 63.70 3m3j h ILE 23 Cb 1.22 -0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 3m3j h ILE 23 CO 0.63 0.20 0.54 -0.08 -0.69 0.00 0.00 178.15 178.74 3m3j h GLU 24 N 1.07 0.99 -0.90 2.37 4.57 -1.15 0.24 114.58 121.78 3m3j h GLU 24 Ca 0.39 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 3m3j h GLU 24 Cb 0.17 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 3m3j h GLU 24 CO -0.14 0.66 0.54 -0.91 -1.18 0.00 0.00 179.01 177.97 3m3j h ASN 25 N 1.02 1.08 -0.76 1.04 2.35 -1.43 -1.53 115.58 117.35 3m3j h ASN 25 Ca 0.35 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3m3j h ASN 25 Cb 0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3m3j h ASN 25 CO -0.13 0.83 0.26 0.58 -1.65 0.00 0.00 177.43 177.31 3m3j h VAL 26 N 1.24 1.26 -0.34 2.81 2.07 -0.22 -2.14 116.25 120.93 3m3j h VAL 26 Ca 0.32 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3m3j h VAL 26 Cb -0.05 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3m3j h VAL 26 CO -0.06 0.35 0.07 0.11 0.02 0.00 0.00 177.57 178.06 3m3j h LYS 27 N 1.12 0.50 -0.42 1.57 1.57 -0.48 -1.10 116.57 119.34 3m3j h LYS 27 Ca 0.25 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3m3j h LYS 27 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3m3j h LYS 27 CO -0.01 0.48 -0.05 0.00 -0.57 0.00 0.00 179.45 179.30 3m3j h ALA 28 N 1.59 1.13 -0.31 3.86 0.00 -0.73 -0.16 119.26 124.63 3m3j h ALA 28 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3m3j h ALA 28 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m3j h ALA 28 CO -0.00 0.55 -0.32 0.87 0.00 0.00 0.00 179.25 180.36 3m3j h LYS 29 N 0.66 0.66 -0.39 0.00 1.57 -0.68 -1.17 116.57 117.23 3m3j h LYS 29 Ca 0.13 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 3m3j h LYS 29 Cb 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3m3j h LYS 29 CO 0.02 0.89 -0.17 0.82 -0.57 0.00 0.00 179.45 180.45 3m3j h ILE 30 N 0.56 1.26 -0.42 1.86 2.04 -0.87 -1.54 117.51 120.40 3m3j h ILE 30 Ca 0.06 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 3m3j h ILE 30 Cb 0.82 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3m3j h ILE 30 CO 0.07 0.41 -0.04 -0.61 0.00 0.00 0.00 178.15 177.98 3m3j h GLN 31 N 0.64 0.77 -0.39 2.37 4.15 -0.78 0.29 115.11 122.17 3m3j h GLN 31 Ca 0.10 -0.27 0.04 0.00 0.77 0.00 0.00 58.65 59.29 3m3j h GLN 31 Cb 0.64 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 3m3j h GLN 31 CO 0.05 0.87 0.18 -0.44 -1.93 0.00 0.00 178.83 177.55 3m3j h ASP 32 N 0.60 0.24 0.05 -0.69 3.32 -1.02 0.35 116.42 119.28 3m3j h ASP 32 Ca 0.11 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.97 3m3j h ASP 32 Cb 0.55 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.11 3m3j h ASP 32 CO 0.03 0.18 -0.88 0.50 -1.72 0.00 0.00 179.24 177.35 3m3j h LYS 33 N 0.36 0.51 0.00 3.56 1.63 -1.04 -3.39 116.57 118.20 3m3j h LYS 33 Ca 0.17 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3m3j h LYS 33 Cb 0.10 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3m3j h LYS 33 CO -0.14 1.24 -0.64 0.39 -3.45 0.00 0.00 179.45 176.85 3m3j n GLU 34 N -4.03 3.26 -0.94 1.90 -0.58 1.00 -5.02 120.64 116.22 3m3j n GLU 34 Ca -0.12 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 3m3j n GLU 34 Cb 0.81 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 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 1.39 0.89 3.67 0.62 0.00 0.12 -4.99 105.19 106.90 3m3j n GLY 35 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.54 4.77 0.40 -0.61 1.01 -1.26 -4.97 121.20 117.00 3m3j s ILE 36 Ca 0.00 1.94 -0.27 0.00 0.00 0.00 0.00 60.65 62.32 3m3j s ILE 36 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 3m3j s ILE 36 CO 0.00 -0.05 1.46 -2.84 0.00 0.00 0.00 174.94 173.51 3m3j s PRO 37 N 2.41 3.98 0.36 2.79 0.02 -1.26 -4.03 135.00 139.28 3m3j s PRO 37 Ca 0.45 2.51 0.12 0.00 0.02 0.00 0.00 61.00 64.09 3m3j s PRO 37 Cb -0.17 -2.87 0.91 0.00 0.02 0.00 0.00 34.50 32.39 3m3j s PRO 37 CO 0.13 -0.61 1.81 -1.35 -0.33 0.00 0.00 177.00 176.65 3m3j h PRO 38 N 2.80 0.57 0.00 5.54 0.11 -1.95 -0.81 132.00 138.26 3m3j h PRO 38 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3m3j h PRO 38 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m3j h PRO 38 CO 0.63 0.38 0.00 0.38 -0.21 0.00 0.00 178.00 179.18 3m3j h ASP 39 N 0.59 0.00 0.00 -2.05 2.03 -1.97 -1.22 116.42 113.80 3m3j h ASP 39 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 3m3j h ASP 39 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 3m3j h ASP 39 CO -0.28 0.00 -0.04 0.00 -1.03 0.00 0.00 179.24 177.89 3m3j n GLN 40 N -2.89 1.76 -4.17 4.15 6.02 -0.31 -4.84 117.38 117.10 3m3j n GLN 40 Ca -0.01 -1.19 -0.36 0.00 -0.01 0.00 0.00 57.00 55.43 3m3j n GLN 40 Cb 0.19 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.06 3.25 -0.07 -1.09 -0.21 -0.46 -0.70 119.66 118.31 3m3j s GLN 41 Ca 0.33 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.42 3m3j s GLN 41 Cb 0.20 -2.97 0.02 0.00 1.00 0.00 0.00 33.01 31.26 3m3j s GLN 41 CO 0.35 0.68 -0.10 1.03 -2.12 0.00 0.00 175.29 175.13 3m3j s ARG 42 N -0.79 1.50 -0.08 2.91 1.81 0.09 -4.94 118.95 119.45 3m3j s ARG 42 Ca 0.13 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 3m3j s ARG 42 Cb -0.12 -1.33 -0.03 0.00 -0.45 0.00 0.00 34.95 33.02 3m3j s ARG 42 CO 0.03 -0.04 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.09 3m3j s LEU 43 N 0.89 3.53 -0.03 2.53 1.43 -1.26 -0.72 118.68 125.04 3m3j s LEU 43 Ca -0.11 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3m3j s LEU 43 Cb -0.15 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3m3j s LEU 43 CO 0.01 0.38 -0.14 -0.63 0.23 0.00 0.00 176.35 176.20 3m3j s ILE 44 N -0.88 1.14 -0.11 -0.59 1.01 0.21 -0.57 121.20 121.41 3m3j s ILE 44 Ca 0.13 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 3m3j s ILE 44 Cb -0.11 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3m3j s ILE 44 CO 0.02 0.34 0.33 0.12 0.00 0.00 0.00 174.94 175.75 3m3j s PHE 45 N 0.08 -0.34 -1.68 3.97 5.36 -0.50 -1.57 117.98 123.29 3m3j s PHE 45 Ca -0.03 0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 56.75 3m3j s PHE 45 Cb -0.10 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 3m3j s PHE 45 CO 0.01 -0.20 0.08 0.00 -1.46 0.00 0.00 175.22 173.65 3m3j n ALA 46 N 2.69 -0.64 -0.95 11.12 0.00 -1.26 -1.55 120.51 129.93 3m3j n ALA 46 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3m3j n ALA 46 Cb 0.57 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.08 0.56 3.39 0.00 0.00 -1.26 -5.00 105.19 101.80 3m3j n GLY 47 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.35 2.57 -0.02 1.61 1.02 -0.59 -5.09 119.74 118.88 3m3j s LYS 48 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 3m3j s LYS 48 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 3m3j s LYS 48 CO 0.00 0.51 1.28 -1.14 -0.92 0.00 0.00 175.35 175.07 3m3j s GLN 49 N -0.45 4.33 0.31 1.68 0.74 -1.26 -1.41 119.66 123.60 3m3j s GLN 49 Ca 0.05 1.79 -0.25 0.00 0.05 0.00 0.00 55.36 57.00 3m3j s GLN 49 Cb -0.12 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.35 3m3j s GLN 49 CO 0.02 -0.48 0.91 -0.51 -0.55 0.00 0.00 175.29 174.68 3m3j s LEU 50 N 2.18 4.34 0.03 3.68 1.43 0.27 -4.98 118.68 125.63 3m3j s LEU 50 Ca 0.59 1.78 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 3m3j s LEU 50 Cb -0.28 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 3m3j s LEU 50 CO 0.24 -0.05 0.80 -1.61 0.23 0.00 0.00 176.35 175.96 3m3j s GLU 51 N -2.03 4.51 0.43 1.70 0.41 -1.26 -4.76 118.70 117.70 3m3j s GLU 51 Ca 0.49 1.11 0.11 0.00 -0.41 0.00 0.00 54.97 56.27 3m3j s GLU 51 Cb -0.18 -3.39 0.96 0.00 -1.78 0.00 0.00 34.13 29.74 3m3j s GLU 51 CO 0.23 0.21 2.02 -0.44 -0.49 0.00 0.00 175.26 176.79 3m3j h ASP 52 N 5.94 0.41 0.04 -0.19 3.45 -1.95 -2.34 116.42 121.78 3m3j h ASP 52 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3m3j h ASP 52 Cb 1.21 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3m3j h ASP 52 CO 0.72 0.27 -0.10 0.61 -1.57 0.00 0.00 179.24 179.17 3m3j n GLY 53 N -1.50 0.03 3.92 2.75 0.00 -1.26 -0.65 105.19 108.48 3m3j n GLY 53 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.16 3.31 0.36 1.61 1.81 -0.88 -4.83 118.95 118.17 3m3j s ARG 54 Ca 0.31 -0.00 0.07 0.00 -1.72 0.00 0.00 55.73 54.40 3m3j s ARG 54 Cb 0.20 -2.40 -0.01 0.00 -0.45 0.00 0.00 34.95 32.29 3m3j s ARG 54 CO 0.39 -0.30 0.45 0.95 -0.68 0.00 0.00 175.30 176.11 3m3j s THR 55 N -2.74 3.60 0.22 0.02 -4.23 -1.26 -0.47 115.64 110.79 3m3j s THR 55 Ca 0.48 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 3m3j s THR 55 Cb -0.10 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.67 3m3j s THR 55 CO 0.43 -0.11 1.82 -0.07 -0.54 0.00 0.00 174.62 176.15 3m3j h LEU 56 N 0.91 0.64 -1.01 4.79 3.38 -1.08 -2.13 115.31 120.82 3m3j h LEU 56 Ca -0.44 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3m3j h LEU 56 Cb 1.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3m3j h LEU 56 CO 0.52 0.40 0.51 -1.28 0.09 0.00 0.00 178.44 178.68 3m3j h SER 57 N 0.77 1.06 -0.82 -0.43 0.87 -1.11 -1.82 113.55 112.07 3m3j h SER 57 Ca 0.33 -0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.96 3m3j h SER 57 Cb 0.21 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 3m3j h SER 57 CO -0.19 0.83 0.54 0.44 -0.53 0.00 0.00 176.83 177.92 3m3j h ASP 58 N 1.21 0.52 -0.39 6.23 3.45 -1.65 -1.38 116.42 124.41 3m3j h ASP 58 Ca 0.31 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3m3j h ASP 58 Cb -0.02 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 3m3j h ASP 58 CO -0.06 0.27 0.00 -1.22 -1.57 0.00 0.00 179.24 176.66 3m3j n TYR 59 N -4.52 0.51 -3.49 4.55 4.02 -0.75 -4.95 117.16 112.53 3m3j n TYR 59 Ca 0.16 -0.26 -0.25 0.00 -0.01 0.00 0.00 57.90 57.55 3m3j n TYR 59 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.87 3m3j n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3m3j n ASN 60 N 1.24 -5.97 -4.63 7.72 3.02 -0.52 -4.94 115.26 111.18 3m3j n ASN 60 Ca 0.19 -0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 53.80 3m3j n ASN 60 Cb 0.54 -4.74 -0.02 0.00 -0.61 0.00 0.00 39.78 34.94 3m3j n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3m3j s ILE 61 N -3.26 4.53 0.42 2.41 1.01 -0.81 -5.03 121.20 120.45 3m3j s ILE 61 Ca 0.52 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.85 3m3j s ILE 61 Cb -0.24 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 37.85 3m3j s ILE 61 CO 0.65 -0.49 0.56 -1.10 0.00 0.00 0.00 174.94 174.56 3m3j s GLN 62 N 3.60 2.84 0.17 2.79 -1.52 -1.26 -4.67 119.66 121.61 3m3j s GLN 62 Ca 0.43 -1.24 -0.32 0.00 -1.95 0.00 0.00 55.36 52.29 3m3j s GLN 62 Cb -0.12 -2.75 -0.16 0.00 -0.22 0.00 0.00 33.01 29.76 3m3j s GLN 62 CO 0.16 -0.25 0.98 1.63 -0.25 0.00 0.00 175.29 177.56 3m3j n LYS 63 N -1.83 0.77 -1.09 2.91 5.02 -1.26 -1.65 118.16 121.03 3m3j n LYS 63 Ca 0.07 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.61 3m3j n LYS 63 Cb 0.59 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3m3j n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3m3j n GLU 64 N 1.39 -1.04 -1.20 1.97 -0.58 0.40 -5.00 120.64 116.57 3m3j n GLU 64 Ca 0.15 0.44 -0.33 0.00 -0.42 0.00 0.00 57.16 57.01 3m3j n GLU 64 Cb 0.24 -4.32 0.11 0.00 -0.57 0.00 0.00 31.44 26.90 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 -2.22 3.89 -0.19 1.62 0.01 -0.66 -4.68 113.70 111.48 3m3j s SER 65 Ca 0.00 2.21 -0.06 0.00 1.31 0.00 0.00 55.95 59.41 3m3j s SER 65 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 3m3j s SER 65 CO 0.00 -2.46 0.03 -0.89 0.41 0.00 0.00 173.24 170.33 3m3j s THR 66 N -2.33 4.35 -0.05 1.44 2.01 -1.26 -0.86 115.64 118.94 3m3j s THR 66 Ca 0.70 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 3m3j s THR 66 Cb -0.25 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3m3j s THR 66 CO 0.50 0.44 0.14 -0.76 -0.69 0.00 0.00 174.62 174.25 3m3j s LEU 67 N 0.72 4.25 0.03 4.42 1.43 0.15 -4.91 118.68 124.77 3m3j s LEU 67 Ca 0.02 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3m3j s LEU 67 Cb -0.14 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3m3j s LEU 67 CO 0.02 0.32 0.29 -1.00 0.23 0.00 0.00 176.35 176.21 3m3j s HIS 68 N -1.17 3.57 -0.20 0.29 3.76 -0.61 -1.03 115.29 119.90 3m3j s HIS 68 Ca 0.21 0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 55.68 3m3j s HIS 68 Cb -0.12 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 3m3j s HIS 68 CO 0.12 0.58 -0.08 -1.17 -0.85 0.00 0.00 174.74 173.34 3m3j s LEU 69 N -1.89 2.76 -0.08 0.89 2.96 0.11 -0.62 118.68 122.81 3m3j s LEU 69 Ca 0.30 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3m3j s LEU 69 Cb -0.13 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3m3j s LEU 69 CO 0.18 0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.45 3m3j s VAL 70 N 1.23 3.55 0.15 1.68 1.01 0.10 -4.12 120.40 123.98 3m3j s VAL 70 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3m3j s VAL 70 Cb -0.14 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3m3j s VAL 70 CO -0.03 0.58 0.41 -0.76 0.00 0.00 0.00 175.10 175.30 3m3j s LEU 71 N -0.61 4.26 -0.13 3.92 2.01 -1.26 -0.73 118.68 126.13 3m3j s LEU 71 Ca 0.09 0.67 -0.03 0.00 0.01 0.00 0.00 54.13 54.88 3m3j s LEU 71 Cb -0.12 -3.32 0.05 0.00 0.01 0.00 0.00 46.19 42.81 3m3j s LEU 71 CO 0.02 0.05 0.04 -0.60 1.01 0.00 0.00 176.35 176.86 3m3j s ARG 72 N -2.57 0.46 -0.16 1.70 3.52 0.12 -4.94 118.95 117.08 3m3j s ARG 72 Ca 0.41 -0.10 -0.08 0.00 -0.13 0.00 0.00 55.73 55.83 3m3j s ARG 72 Cb -0.12 -1.51 0.06 0.00 -1.56 0.00 0.00 34.95 31.81 3m3j s ARG 72 CO 0.23 -0.50 0.37 -1.17 -0.81 0.00 0.00 175.30 173.42 3m3j s LEU 73 N 1.98 -0.02 0.05 -0.88 2.96 -1.26 -4.41 118.68 117.10 3m3j s LEU 73 Ca 0.02 0.81 -0.36 0.00 -0.22 0.00 0.00 54.13 54.39 3m3j s LEU 73 Cb -0.15 1.19 -0.15 0.00 0.50 0.00 0.00 46.19 47.59 3m3j s LEU 73 CO -0.07 -0.19 1.57 0.54 -1.32 0.00 0.00 176.35 176.88 3m3j n ARG 74 N 4.35 1.71 -0.03 1.98 1.74 -1.26 -0.87 116.66 124.27 3m3j n ARG 74 Ca -0.23 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3m3j n ARG 74 Cb 0.54 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 3m3j n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m3j n GLY 75 N 3.36 1.45 0.92 -0.13 0.00 -1.26 -5.32 105.19 104.21 3m3j n GLY 75 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3m3j n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93