#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 3.79 0.22 3.17 0.74 -1.26 -0.74 119.66 125.58 3m3j s GLN 2 Ca 0.00 0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.49 3m3j s GLN 2 Cb 0.00 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.79 3m3j s GLN 2 CO 0.00 0.60 -0.05 0.96 -0.55 0.00 0.00 175.29 176.25 3m3j s ILE 3 N -0.60 1.29 -0.01 -2.34 -4.36 -0.57 -0.07 121.20 114.53 3m3j s ILE 3 Ca 0.17 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3m3j s ILE 3 Cb -0.13 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 3m3j s ILE 3 CO 0.06 -0.44 0.01 -0.36 0.24 0.00 0.00 174.94 174.44 3m3j s PHE 4 N -3.25 3.11 -0.17 1.37 0.40 -0.14 -0.96 117.98 118.33 3m3j s PHE 4 Ca 0.25 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 3m3j s PHE 4 Cb 0.04 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.90 3m3j s PHE 4 CO 0.07 0.47 -0.20 0.08 0.70 0.00 0.00 175.22 176.35 3m3j s VAL 5 N -1.07 2.01 -0.18 -0.44 1.01 -0.17 -0.64 120.40 120.91 3m3j s VAL 5 Ca 0.19 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3m3j s VAL 5 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3m3j s VAL 5 CO 0.10 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 175.12 3m3j s LYS 6 N 1.27 3.43 0.80 2.72 1.02 -0.13 -1.10 119.74 127.75 3m3j s LYS 6 Ca 0.04 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 3m3j s LYS 6 Cb -0.13 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.36 3m3j s LYS 6 CO -0.12 -0.01 1.09 0.95 -0.92 0.00 0.00 175.35 176.34 3m3j s THR 7 N 0.98 3.22 0.02 2.17 -4.23 -0.07 -0.49 115.64 117.24 3m3j s THR 7 Ca -0.00 0.40 -0.20 0.00 -1.18 0.00 0.00 61.69 60.70 3m3j s THR 7 Cb -0.15 -2.99 -0.18 0.00 1.34 0.00 0.00 72.50 70.52 3m3j s THR 7 CO 0.00 -0.52 1.22 -0.07 -0.54 0.00 0.00 174.62 174.72 3m3j h LEU 8 N -1.16 0.47 -5.36 4.79 4.07 -1.87 -3.34 115.31 112.91 3m3j h LEU 8 Ca -0.46 -0.62 -0.55 0.00 0.08 0.00 0.00 57.88 56.33 3m3j h LEU 8 Cb 1.25 -0.14 -0.41 0.00 1.08 0.00 0.00 40.66 42.44 3m3j h LEU 8 CO 0.55 1.01 -0.82 0.41 -1.08 0.00 0.00 178.44 178.51 3m3j n THR 9 N -4.38 2.07 -0.33 0.22 -1.04 -1.26 -5.04 114.28 104.53 3m3j n THR 9 Ca -0.08 -5.13 0.00 0.00 -2.04 0.00 0.00 64.05 56.80 3m3j n THR 9 Cb 0.51 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 3m3j n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3j n GLY 10 N -0.13 3.12 3.92 3.41 0.00 -1.25 -5.18 105.19 109.07 3m3j n GLY 10 Ca 0.29 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3m3j n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3j s LYS 11 N 4.18 2.61 -0.08 1.61 -2.85 -1.26 -4.61 119.74 119.34 3m3j s LYS 11 Ca 0.00 -0.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.91 3m3j s LYS 11 Cb 0.00 -2.22 -0.02 0.00 -2.06 0.00 0.00 37.83 33.54 3m3j s LYS 11 CO 0.00 -0.94 -0.19 0.99 0.10 0.00 0.00 175.35 175.31 3m3j s THR 12 N -3.11 2.61 0.25 3.79 2.01 -1.26 -0.89 115.64 119.03 3m3j s THR 12 Ca 0.57 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.77 3m3j s THR 12 Cb -0.11 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3m3j s THR 12 CO 0.45 0.56 -0.08 0.27 -0.69 0.00 0.00 174.62 175.14 3m3j s ILE 13 N -0.17 1.57 0.13 1.82 -4.36 -0.25 -4.99 121.20 114.95 3m3j s ILE 13 Ca -0.02 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 3m3j s ILE 13 Cb -0.14 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3m3j s ILE 13 CO 0.04 -0.40 0.31 0.42 0.24 0.00 0.00 174.94 175.55 3m3j s THR 14 N -3.07 5.27 0.02 8.37 -4.23 -1.26 -1.00 115.64 119.74 3m3j s THR 14 Ca 0.27 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3m3j s THR 14 Cb 0.03 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 3m3j s THR 14 CO 0.10 0.01 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.37 3m3j s LEU 15 N -2.84 2.14 -0.27 4.79 1.43 -0.14 -4.91 118.68 118.89 3m3j s LEU 15 Ca 0.38 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3m3j s LEU 15 Cb -0.12 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 3m3j s LEU 15 CO 0.27 -0.09 0.30 -1.61 0.23 0.00 0.00 176.35 175.45 3m3j s GLU 16 N -0.88 4.00 0.24 1.70 0.41 -1.26 -1.52 118.70 121.39 3m3j s GLU 16 Ca -0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 3m3j s GLU 16 Cb -0.06 -3.65 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 3m3j s GLU 16 CO 0.00 -0.23 0.11 0.14 -0.49 0.00 0.00 175.26 174.79 3m3j s VAL 17 N 1.92 0.34 0.14 2.63 -7.23 0.08 -4.95 120.40 113.33 3m3j s VAL 17 Ca 0.12 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3m3j s VAL 17 Cb -0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3m3j s VAL 17 CO 0.10 0.00 -0.25 -1.61 -0.31 0.00 0.00 175.10 173.03 3m3j s GLU 18 N -4.08 1.40 0.53 4.82 0.41 -1.26 -0.29 118.70 120.22 3m3j s GLU 18 Ca 0.38 -1.38 0.22 0.00 -0.41 0.00 0.00 54.97 53.79 3m3j s GLU 18 Cb 0.07 -1.81 1.35 0.00 -1.78 0.00 0.00 34.13 31.97 3m3j s GLU 18 CO 0.13 0.42 2.04 -1.35 -0.49 0.00 0.00 175.26 176.01 3m3j h PRO 19 N 3.70 0.01 -0.00 0.39 0.11 -1.97 -0.32 132.00 133.91 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 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m3j h PRO 19 CO 0.42 0.00 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.06 3m3j n SER 20 N -4.43 0.08 -4.75 -2.05 3.41 -1.26 -0.96 113.62 103.66 3m3j n SER 20 Ca 0.06 -0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 3m3j n SER 20 Cb 0.45 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.54 6.43 0.67 4.04 1.01 -0.13 -4.79 116.67 121.35 3m3j s ASP 21 Ca 0.29 2.91 -0.11 0.00 0.71 0.00 0.00 52.55 56.35 3m3j s ASP 21 Cb 0.20 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 3m3j s ASP 21 CO 0.46 -0.86 1.07 0.42 0.21 0.00 0.00 175.17 176.46 3m3j s THR 22 N -0.16 4.06 0.33 -1.27 -4.23 -1.26 -1.53 115.64 111.57 3m3j s THR 22 Ca 0.61 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.83 3m3j s THR 22 Cb -0.46 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.02 3m3j s THR 22 CO 0.49 -0.87 1.91 0.40 -0.54 0.00 0.00 174.62 176.01 3m3j h ILE 23 N -0.52 1.00 -0.59 2.99 1.08 -0.76 -0.96 117.51 119.76 3m3j h ILE 23 Ca -0.45 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3m3j h ILE 23 Cb 1.22 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 3m3j h ILE 23 CO 0.63 0.16 0.36 -0.33 -0.69 0.00 0.00 178.15 178.27 3m3j h GLU 24 N 0.88 0.68 -0.85 2.37 5.08 -1.61 -0.37 114.58 120.77 3m3j h GLU 24 Ca 0.38 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 3m3j h GLU 24 Cb 0.33 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3m3j h GLU 24 CO -0.15 0.45 0.50 -0.91 -1.00 0.00 0.00 179.01 177.90 3m3j h ASN 25 N 0.70 1.03 -0.57 1.42 2.35 -1.52 -1.61 115.58 117.39 3m3j h ASN 25 Ca 0.24 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3m3j h ASN 25 Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3m3j h ASN 25 CO -0.10 0.81 0.13 0.58 -1.65 0.00 0.00 177.43 177.20 3m3j h VAL 26 N 1.17 1.25 -0.65 2.81 2.07 -0.50 -1.80 116.25 120.60 3m3j h VAL 26 Ca 0.30 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3m3j h VAL 26 Cb -0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3m3j h VAL 26 CO -0.05 0.33 0.35 0.11 0.02 0.00 0.00 177.57 178.33 3m3j h LYS 27 N 0.81 0.89 -0.87 1.57 1.57 -0.80 -1.26 116.57 118.49 3m3j h LYS 27 Ca 0.18 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3m3j h LYS 27 Cb 0.35 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3m3j h LYS 27 CO 0.00 0.65 0.52 0.00 -0.57 0.00 0.00 179.45 180.05 3m3j h ALA 28 N 1.49 1.11 -0.52 3.86 0.00 -0.84 -0.23 119.26 124.14 3m3j h ALA 28 Ca 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3m3j h ALA 28 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3m3j h ALA 28 CO -0.04 0.57 -0.01 0.87 0.00 0.00 0.00 179.25 180.65 3m3j h LYS 29 N 1.20 0.89 -0.47 0.00 1.57 -0.60 -0.56 116.57 118.60 3m3j h LYS 29 Ca 0.31 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3m3j h LYS 29 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3m3j h LYS 29 CO -0.06 0.89 -0.03 0.82 -0.57 0.00 0.00 179.45 180.50 3m3j h ILE 30 N 0.82 1.25 -0.37 1.86 2.04 -0.85 -1.83 117.51 120.42 3m3j h ILE 30 Ca 0.15 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3m3j h ILE 30 Cb 0.50 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3m3j h ILE 30 CO 0.02 0.37 0.08 -0.61 0.00 0.00 0.00 178.15 178.01 3m3j h GLN 31 N 0.73 0.60 -0.87 2.37 4.15 -0.57 0.47 115.11 122.00 3m3j h GLN 31 Ca 0.14 -0.15 0.09 0.00 0.77 0.00 0.00 58.65 59.50 3m3j h GLN 31 Cb 0.49 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 3m3j h GLN 31 CO 0.03 0.66 0.52 -0.44 -1.93 0.00 0.00 178.83 177.66 3m3j h ASP 32 N 0.45 0.76 0.37 -0.69 3.32 -0.88 0.70 116.42 120.47 3m3j h ASP 32 Ca 0.11 0.04 -0.32 0.00 0.02 0.00 0.00 57.03 56.89 3m3j h ASP 32 Cb 0.33 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3m3j h ASP 32 CO 0.00 0.44 -1.65 0.50 -1.72 0.00 0.00 179.24 176.81 3m3j h LYS 33 N 0.88 0.24 0.00 3.56 3.64 -1.13 -3.41 116.57 120.34 3m3j h LYS 33 Ca 0.41 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3m3j h LYS 33 Cb 0.35 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3m3j h LYS 33 CO -0.24 1.08 -0.28 0.39 -2.27 0.00 0.00 179.45 178.13 3m3j n GLU 34 N -3.43 5.14 -0.95 1.90 -0.58 0.16 -5.02 120.64 117.87 3m3j n GLU 34 Ca -0.20 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 3m3j n GLU 34 Cb 1.05 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 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 1.31 0.79 3.68 0.62 0.00 0.23 -4.99 105.19 106.83 3m3j n GLY 35 Ca 0.00 0.00 -0.43 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 -3.13 4.71 0.27 -0.61 1.01 -1.26 -4.98 121.20 117.22 3m3j s ILE 36 Ca 0.00 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.36 3m3j s ILE 36 Cb 0.00 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.05 3m3j s ILE 36 CO 0.00 -0.07 1.59 -2.65 0.00 0.00 0.00 174.94 173.81 3m3j n PRO 37 N 5.58 2.61 -0.34 2.79 -0.02 -1.26 -4.06 135.00 140.30 3m3j n PRO 37 Ca 0.10 0.93 0.12 0.00 -2.02 0.00 0.00 63.50 62.63 3m3j n PRO 37 Cb 0.47 -2.71 0.30 0.00 -0.02 0.00 0.00 33.50 31.55 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 5.04 0.70 0.00 0.52 0.11 -1.95 -0.86 132.00 135.57 3m3j h PRO 38 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m3j h PRO 38 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m3j h PRO 38 CO 0.82 0.46 0.02 -0.44 -0.21 0.00 0.00 178.00 178.65 3m3j h ASP 39 N 0.72 0.00 0.04 -2.05 3.32 -1.97 -0.51 116.42 115.97 3m3j h ASP 39 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3m3j h ASP 39 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3m3j h ASP 39 CO -0.39 0.00 -0.32 0.00 -1.72 0.00 0.00 179.24 176.81 3m3j n GLN 40 N -3.04 1.32 -3.42 3.56 6.02 -0.33 -4.86 117.38 116.63 3m3j n GLN 40 Ca -0.03 -1.01 -0.38 0.00 -0.01 0.00 0.00 57.00 55.57 3m3j n GLN 40 Cb 0.09 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.38 4.03 -0.10 -1.09 -0.21 -0.20 -0.36 119.66 119.35 3m3j s GLN 41 Ca 0.23 0.52 0.01 0.00 0.02 0.00 0.00 55.36 56.14 3m3j s GLN 41 Cb 0.19 -3.24 0.02 0.00 1.00 0.00 0.00 33.01 30.98 3m3j s GLN 41 CO 0.50 0.65 -0.11 1.03 -2.12 0.00 0.00 175.29 175.25 3m3j s ARG 42 N -1.00 1.74 -0.06 2.91 1.81 -0.17 -4.89 118.95 119.28 3m3j s ARG 42 Ca 0.26 -0.37 -0.02 0.00 -1.72 0.00 0.00 55.73 53.87 3m3j s ARG 42 Cb -0.18 -1.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.68 3m3j s ARG 42 CO 0.15 -0.14 0.06 -0.51 -0.68 0.00 0.00 175.30 174.17 3m3j s LEU 43 N 1.25 3.85 -0.04 2.53 1.43 -1.26 -1.00 118.68 125.45 3m3j s LEU 43 Ca -0.03 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3m3j s LEU 43 Cb -0.14 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 3m3j s LEU 43 CO -0.04 0.34 -0.13 -0.63 0.23 0.00 0.00 176.35 176.12 3m3j s ILE 44 N -1.03 1.14 -0.10 -0.59 -1.09 0.42 -0.54 121.20 119.42 3m3j s ILE 44 Ca 0.17 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.91 3m3j s ILE 44 Cb -0.12 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 39.81 3m3j s ILE 44 CO 0.07 0.34 0.35 0.12 -1.23 0.00 0.00 174.94 174.58 3m3j s PHE 45 N 0.11 -0.34 -1.31 3.97 5.36 -0.67 -1.48 117.98 123.62 3m3j s PHE 45 Ca -0.03 0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 56.67 3m3j s PHE 45 Cb -0.10 0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 3m3j s PHE 45 CO 0.01 -0.24 0.28 0.00 -1.46 0.00 0.00 175.22 173.81 3m3j n ALA 46 N 2.45 -0.89 -0.96 11.12 0.00 -1.26 -1.78 120.51 129.18 3m3j n ALA 46 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3m3j n ALA 46 Cb 0.57 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 0.78 3.26 0.00 0.00 -1.26 -5.00 105.19 101.88 3m3j n GLY 47 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.04 1.08 -0.02 1.61 0.00 -0.73 -5.12 119.74 116.52 3m3j s LYS 48 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 55.97 54.26 3m3j s LYS 48 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 37.83 37.04 3m3j s LYS 48 CO 0.00 0.11 1.04 -1.14 0.00 0.00 0.00 175.35 175.36 3m3j s GLN 49 N -3.43 4.50 0.53 1.78 0.74 -1.26 -1.67 119.66 120.85 3m3j s GLN 49 Ca 0.15 1.49 -0.12 0.00 0.05 0.00 0.00 55.36 56.93 3m3j s GLN 49 Cb 0.00 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 3m3j s GLN 49 CO 0.02 -0.17 0.95 -0.51 -0.55 0.00 0.00 175.29 175.03 3m3j s LEU 50 N 1.31 3.51 -0.11 3.68 1.43 0.30 -4.97 118.68 123.83 3m3j s LEU 50 Ca 0.53 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 54.97 3m3j s LEU 50 Cb -0.22 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3m3j s LEU 50 CO 0.26 -0.66 0.05 -1.61 0.23 0.00 0.00 176.35 174.62 3m3j s GLU 51 N -4.51 3.26 0.31 1.70 2.02 -1.26 -4.76 118.70 115.45 3m3j s GLU 51 Ca 0.55 -0.31 0.07 0.00 0.02 0.00 0.00 54.97 55.30 3m3j s GLU 51 Cb -0.10 -2.97 0.82 0.00 0.10 0.00 0.00 34.13 31.97 3m3j s GLU 51 CO 0.41 0.67 1.73 -0.44 0.02 0.00 0.00 175.26 177.65 3m3j h ASP 52 N 5.30 0.60 0.75 -0.19 3.45 -1.97 -2.42 116.42 121.94 3m3j h ASP 52 Ca -0.50 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.09 3m3j h ASP 52 Cb 1.20 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3m3j h ASP 52 CO 0.57 0.10 -0.14 0.61 -1.57 0.00 0.00 179.24 178.81 3m3j n GLY 53 N -1.32 -1.34 3.88 2.75 0.00 -1.26 -1.73 105.19 106.17 3m3j n GLY 53 Ca 0.25 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.90 3.71 0.41 1.61 1.81 -0.91 -4.85 118.95 117.84 3m3j s ARG 54 Ca 0.16 0.38 0.08 0.00 -1.72 0.00 0.00 55.73 54.62 3m3j s ARG 54 Cb 0.19 -2.41 0.01 0.00 -0.45 0.00 0.00 34.95 32.29 3m3j s ARG 54 CO 0.56 -0.06 0.56 0.95 -0.68 0.00 0.00 175.30 176.63 3m3j s THR 55 N -2.43 3.20 0.22 0.02 -4.23 -1.26 -0.77 115.64 110.39 3m3j s THR 55 Ca 0.50 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 3m3j s THR 55 Cb -0.10 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 70.84 3m3j s THR 55 CO 0.34 -0.03 1.86 -0.07 -0.54 0.00 0.00 174.62 176.18 3m3j h LEU 56 N 0.67 1.02 -1.46 4.79 3.38 -1.16 -1.94 115.31 120.61 3m3j h LEU 56 Ca -0.41 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3m3j h LEU 56 Cb 1.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3m3j h LEU 56 CO 0.47 0.80 -0.17 0.77 0.09 0.00 0.00 178.44 180.40 3m3j h SER 57 N 1.16 0.13 -0.33 -0.43 4.64 -1.28 -1.32 113.55 116.12 3m3j h SER 57 Ca 0.30 -0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.69 3m3j h SER 57 Cb -0.02 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3m3j h SER 57 CO -0.05 0.32 0.25 0.44 -0.87 0.00 0.00 176.83 176.92 3m3j h ASP 58 N 0.14 0.00 -0.24 4.97 3.45 -1.61 -1.77 116.42 121.36 3m3j h ASP 58 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3m3j h ASP 58 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3m3j h ASP 58 CO 0.02 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.47 3m3j n TYR 59 N -4.31 0.29 -2.98 4.55 4.02 -0.72 -4.97 117.16 113.06 3m3j n TYR 59 Ca 0.05 -0.19 -0.22 0.00 -0.01 0.00 0.00 57.90 57.53 3m3j n TYR 59 Cb 0.43 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.77 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 1.11 -6.07 -4.64 7.72 4.05 -0.67 -4.96 115.26 111.81 3m3j n ASN 60 Ca 0.14 -0.27 -0.43 0.00 0.45 0.00 0.00 54.58 54.47 3m3j n ASN 60 Cb 0.50 -4.89 -0.02 0.00 1.23 0.00 0.00 39.78 36.60 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 -3.17 4.47 0.46 -1.44 1.01 -0.58 -5.01 121.20 116.94 3m3j s ILE 61 Ca 0.29 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.71 3m3j s ILE 61 Cb -0.13 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.99 3m3j s ILE 61 CO 0.35 -0.44 0.43 -1.10 0.00 0.00 0.00 174.94 174.18 3m3j s GLN 62 N 3.67 2.45 0.23 2.79 -0.21 -1.26 -4.52 119.66 122.82 3m3j s GLN 62 Ca 0.47 -1.65 -0.31 0.00 0.02 0.00 0.00 55.36 53.89 3m3j s GLN 62 Cb -0.13 -2.35 -0.14 0.00 1.00 0.00 0.00 33.01 31.39 3m3j s GLN 62 CO 0.15 -0.36 1.35 0.36 -2.12 0.00 0.00 175.29 174.68 3m3j n LYS 63 N -1.67 1.87 -0.97 2.91 2.85 -1.26 -1.63 118.16 120.25 3m3j n LYS 63 Ca 0.04 0.66 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 3m3j n LYS 63 Cb 0.62 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 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 1.88 -0.37 -1.00 -1.58 -0.58 0.89 -5.01 120.64 114.87 3m3j n GLU 64 Ca 0.12 0.09 -0.31 0.00 -0.42 0.00 0.00 57.16 56.64 3m3j n GLU 64 Cb 0.30 -3.37 0.13 0.00 -0.57 0.00 0.00 31.44 27.94 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 -2.18 3.72 -0.10 1.62 0.01 -0.65 -4.71 113.70 111.42 3m3j s SER 65 Ca 0.00 2.03 0.01 0.00 1.31 0.00 0.00 55.95 59.29 3m3j s SER 65 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3m3j s SER 65 CO 0.00 -2.56 -0.10 -0.89 0.41 0.00 0.00 173.24 170.09 3m3j s THR 66 N -2.74 3.34 -0.06 1.44 2.01 -1.26 -0.96 115.64 117.41 3m3j s THR 66 Ca 0.64 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 3m3j s THR 66 Cb -0.20 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 3m3j s THR 66 CO 0.56 0.55 -0.01 -0.76 -0.69 0.00 0.00 174.62 174.28 3m3j s LEU 67 N -0.21 3.51 0.05 4.42 1.43 0.18 -4.89 118.68 123.18 3m3j s LEU 67 Ca 0.02 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3m3j s LEU 67 Cb -0.13 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3m3j s LEU 67 CO 0.03 0.35 0.29 -1.00 0.23 0.00 0.00 176.35 176.25 3m3j s HIS 68 N -0.93 3.54 -0.11 0.29 3.76 -0.55 -0.96 115.29 120.33 3m3j s HIS 68 Ca 0.15 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.62 3m3j s HIS 68 Cb -0.11 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3m3j s HIS 68 CO 0.04 0.56 -0.23 -1.17 -0.85 0.00 0.00 174.74 173.09 3m3j s LEU 69 N -2.11 2.08 0.20 0.89 2.96 0.36 -0.43 118.68 122.63 3m3j s LEU 69 Ca 0.32 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3m3j s LEU 69 Cb -0.13 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 3m3j s LEU 69 CO 0.20 0.13 -0.17 0.68 -1.32 0.00 0.00 176.35 175.87 3m3j s VAL 70 N 0.50 1.89 -0.13 1.68 -7.23 -0.17 -3.22 120.40 113.72 3m3j s VAL 70 Ca -0.15 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 57.87 3m3j s VAL 70 Cb -0.17 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3m3j s VAL 70 CO 0.05 -0.44 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.62 3m3j s LEU 71 N -3.07 3.37 -0.36 1.32 1.43 -1.26 -1.00 118.68 119.10 3m3j s LEU 71 Ca 0.21 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3m3j s LEU 71 Cb -0.04 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.48 3m3j s LEU 71 CO 0.08 0.23 0.11 -0.60 0.23 0.00 0.00 176.35 176.40 3m3j s ARG 72 N -0.02 1.97 0.70 1.70 3.00 0.51 -4.98 118.95 121.83 3m3j s ARG 72 Ca 0.02 -1.69 -0.12 0.00 -1.00 0.00 0.00 55.73 52.93 3m3j s ARG 72 Cb -0.13 -3.37 0.02 0.00 0.00 0.00 0.00 34.95 31.47 3m3j s ARG 72 CO 0.02 -0.92 1.08 -0.51 0.00 0.00 0.00 175.30 174.98 3m3j s LEU 73 N 1.10 3.20 0.48 -0.88 1.02 -1.26 -4.39 118.68 117.95 3m3j s LEU 73 Ca 0.05 1.81 -0.23 0.00 0.02 0.00 0.00 54.13 55.79 3m3j s LEU 73 Cb -0.21 -4.52 -0.08 0.00 0.02 0.00 0.00 46.19 41.39 3m3j s LEU 73 CO -0.05 -1.69 1.10 0.54 0.02 0.00 0.00 176.35 176.28 3m3j n ARG 74 N -2.97 1.41 0.00 1.70 1.74 -1.26 -5.06 116.66 112.22 3m3j n ARG 74 Ca 0.09 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3m3j n ARG 74 Cb 0.53 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3m3j n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52