#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aar s GLN 2 N 0.00 4.17 -0.01 3.17 0.74 -1.26 -0.14 119.66 126.32 1aar s GLN 2 Ca 0.00 -0.02 0.03 0.00 0.05 0.00 0.00 55.36 55.42 1aar s GLN 2 Cb 0.00 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 1aar s GLN 2 CO 0.00 0.11 -0.11 0.96 -0.55 0.00 0.00 175.29 175.70 1aar s ILE 3 N 0.88 0.88 0.07 -2.34 -4.36 -0.93 0.20 121.20 115.59 1aar s ILE 3 Ca 0.13 -0.46 -0.19 0.00 -0.26 0.00 0.00 60.65 59.88 1aar s ILE 3 Cb -0.13 -0.75 -0.07 0.00 1.25 0.00 0.00 42.46 42.76 1aar s ILE 3 CO 0.04 0.26 0.56 -0.36 0.24 0.00 0.00 174.94 175.68 1aar s PHE 4 N -0.13 3.80 -0.29 1.37 0.08 -0.11 -2.29 117.98 120.42 1aar s PHE 4 Ca 0.02 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.34 1aar s PHE 4 Cb -0.06 -2.48 0.07 0.00 -0.57 0.00 0.00 43.02 39.97 1aar s PHE 4 CO -0.00 0.59 -0.05 0.08 -0.10 0.00 0.00 175.22 175.74 1aar s VAL 5 N -1.09 2.39 -0.17 -0.44 1.01 0.27 -0.25 120.40 122.12 1aar s VAL 5 Ca 0.29 -1.72 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1aar s VAL 5 Cb -0.19 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1aar s VAL 5 CO 0.19 -0.16 0.10 -0.54 0.00 0.00 0.00 175.10 174.68 1aar s LYS 6 N 1.10 3.89 0.45 2.72 1.02 0.72 0.38 119.74 130.02 1aar s LYS 6 Ca -0.04 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 1aar s LYS 6 Cb -0.20 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.78 1aar s LYS 6 CO -0.05 0.41 0.87 0.99 -0.92 0.00 0.00 175.35 176.65 1aar s THR 7 N 0.01 4.66 -0.40 2.17 2.01 -0.21 -0.91 115.64 122.96 1aar s THR 7 Ca 0.08 0.92 0.24 0.00 0.31 0.00 0.00 61.69 63.25 1aar s THR 7 Cb -0.12 -3.72 0.34 0.00 0.01 0.00 0.00 72.50 69.02 1aar s THR 7 CO 0.00 -0.57 1.67 -0.07 -0.69 0.00 0.00 174.62 174.96 1aar h LEU 8 N 1.19 0.00 -1.52 4.42 3.38 -1.89 -3.06 115.31 117.83 1aar h LEU 8 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1aar h LEU 8 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1aar h LEU 8 CO 0.63 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.51 1aar n THR 9 N -3.03 0.72 0.00 0.22 -2.24 -1.26 -4.97 114.28 103.72 1aar n THR 9 Ca 0.04 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1aar n THR 9 Cb 0.49 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1aar n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aar n GLY 10 N 0.54 2.61 3.68 3.38 0.00 -1.16 -5.09 105.19 109.15 1aar n GLY 10 Ca 0.10 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 1aar n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aar n LYS 11 N 0.00 2.22 -3.64 1.61 -0.00 -1.26 -4.62 118.16 112.48 1aar n LYS 11 Ca 0.00 0.80 -0.36 0.00 -0.00 0.00 0.00 58.31 58.75 1aar n LYS 11 Cb 0.00 -2.57 -0.08 0.00 -0.00 0.00 0.00 35.03 32.38 1aar n LYS 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1aar s THR 12 N 0.82 5.36 -0.19 0.58 2.01 -1.26 -1.04 115.64 121.91 1aar s THR 12 Ca 0.77 0.35 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 1aar s THR 12 Cb -0.65 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1aar s THR 12 CO 0.39 0.41 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.05 1aar s ILE 13 N 0.48 3.55 -0.16 1.82 1.01 0.16 -4.93 121.20 123.12 1aar s ILE 13 Ca 0.12 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1aar s ILE 13 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1aar s ILE 13 CO 0.01 0.45 0.12 0.42 0.00 0.00 0.00 174.94 175.94 1aar s THR 14 N 1.00 5.34 0.08 2.92 -4.23 -1.26 0.97 115.64 120.46 1aar s THR 14 Ca 0.00 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1aar s THR 14 Cb -0.15 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 1aar s THR 14 CO 0.01 0.53 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.78 1aar s LEU 15 N -0.29 2.40 -0.27 4.79 1.43 -0.97 -4.99 118.68 120.78 1aar s LEU 15 Ca 0.11 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1aar s LEU 15 Cb -0.12 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1aar s LEU 15 CO 0.01 -0.33 0.01 -1.61 0.23 0.00 0.00 176.35 174.66 1aar s GLU 16 N -2.83 3.01 0.34 1.70 0.41 -1.26 -2.19 118.70 117.88 1aar s GLU 16 Ca 0.03 -0.88 0.07 0.00 -0.41 0.00 0.00 54.97 53.77 1aar s GLU 16 Cb -0.02 -3.18 -0.07 0.00 -1.78 0.00 0.00 34.13 29.09 1aar s GLU 16 CO -0.02 -0.40 -0.03 0.14 -0.49 0.00 0.00 175.26 174.45 1aar s VAL 17 N 1.42 1.83 0.01 2.63 -7.23 0.80 -4.91 120.40 114.94 1aar s VAL 17 Ca 0.02 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 1aar s VAL 17 Cb -0.17 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1aar s VAL 17 CO -0.01 -0.15 0.29 -1.61 -0.31 0.00 0.00 175.10 173.31 1aar s GLU 18 N -3.72 3.63 0.41 4.82 2.02 -1.26 -0.92 118.70 123.68 1aar s GLU 18 Ca 0.33 -0.00 0.16 0.00 0.02 0.00 0.00 54.97 55.48 1aar s GLU 18 Cb 0.06 -3.08 1.04 0.00 0.10 0.00 0.00 34.13 32.24 1aar s GLU 18 CO 0.15 0.64 1.85 -1.35 0.02 0.00 0.00 175.26 176.58 1aar h PRO 19 N 4.05 0.44 -0.03 0.39 0.11 -1.95 -1.70 132.00 133.32 1aar h PRO 19 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1aar h PRO 19 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1aar h PRO 19 CO 0.65 0.29 0.00 0.43 -0.21 0.00 0.00 178.00 179.16 1aar n SER 20 N -4.53 1.38 -4.71 -2.05 7.64 -1.26 -2.07 113.62 108.02 1aar n SER 20 Ca 0.19 -1.48 -0.40 0.00 1.01 0.00 0.00 58.87 58.19 1aar n SER 20 Cb 0.67 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.88 1aar n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1aar n ASP 21 N 0.09 2.61 -4.84 6.43 8.00 -0.64 -4.67 116.55 123.52 1aar n ASP 21 Ca 0.19 1.08 -0.30 0.00 0.71 0.00 0.00 54.79 56.47 1aar n ASP 21 Cb 0.33 -1.52 0.05 0.00 -0.02 0.00 0.00 41.12 39.96 1aar n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1aar s THR 22 N -1.22 3.77 0.34 -3.53 -4.23 -1.26 -1.47 115.64 108.03 1aar s THR 22 Ca 0.63 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.76 1aar s THR 22 Cb -0.48 -3.44 0.15 0.00 1.34 0.00 0.00 72.50 70.07 1aar s THR 22 CO 0.56 -0.75 1.87 0.40 -0.54 0.00 0.00 174.62 176.17 1aar h ILE 23 N -0.71 1.20 -0.30 2.99 1.08 -0.41 -1.82 117.51 119.54 1aar h ILE 23 Ca -0.45 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1aar h ILE 23 Cb 1.23 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1aar h ILE 23 CO 0.60 0.27 0.19 -0.08 -0.69 0.00 0.00 178.15 178.45 1aar h GLU 24 N 0.46 0.39 -0.38 2.37 4.22 -1.62 -1.92 114.58 118.10 1aar h GLU 24 Ca 0.10 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 1aar h GLU 24 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1aar h GLU 24 CO 0.01 0.26 -0.02 -0.97 -2.18 0.00 0.00 179.01 176.11 1aar h ASN 25 N 0.40 0.68 -0.72 1.04 -1.24 -1.62 -0.11 115.58 114.01 1aar h ASN 25 Ca 0.11 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1aar h ASN 25 Cb -0.04 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.79 1aar h ASN 25 CO -0.02 0.84 0.47 0.58 -1.29 0.00 0.00 177.43 178.00 1aar h VAL 26 N 0.51 1.19 -0.36 2.57 2.07 -1.25 0.83 116.25 121.80 1aar h VAL 26 Ca 0.11 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1aar h VAL 26 Cb 0.51 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1aar h VAL 26 CO 0.02 0.19 0.23 0.11 0.02 0.00 0.00 177.57 178.14 1aar h LYS 27 N 0.98 0.48 -0.17 1.57 1.57 -1.04 0.18 116.57 120.14 1aar h LYS 27 Ca 0.26 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1aar h LYS 27 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1aar h LYS 27 CO -0.05 0.34 -0.04 0.00 -0.57 0.00 0.00 179.45 179.13 1aar h ALA 28 N 1.11 1.63 -0.00 3.86 0.00 -0.32 -0.39 119.26 125.16 1aar h ALA 28 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1aar h ALA 28 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1aar h ALA 28 CO -0.03 0.28 -0.59 0.87 0.00 0.00 0.00 179.25 179.78 1aar h LYS 29 N 0.24 0.01 -0.18 0.00 1.57 0.17 -0.79 116.57 117.59 1aar h LYS 29 Ca 0.06 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1aar h LYS 29 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1aar h LYS 29 CO 0.01 0.60 -0.66 0.82 -0.57 0.00 0.00 179.45 179.66 1aar h ILE 30 N 0.01 1.31 -0.28 1.86 2.04 0.17 -2.49 117.51 120.13 1aar h ILE 30 Ca -0.01 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 63.93 1aar h ILE 30 Cb 1.05 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1aar h ILE 30 CO 0.08 0.60 0.09 -0.61 0.00 0.00 0.00 178.15 178.31 1aar h GLN 31 N 0.50 0.43 -0.71 2.37 4.15 -0.79 0.74 115.11 121.79 1aar h GLN 31 Ca -0.02 -0.09 0.14 0.00 0.77 0.00 0.00 58.65 59.45 1aar h GLN 31 Cb 1.25 -0.06 -0.13 0.00 0.21 0.00 0.00 27.48 28.74 1aar h GLN 31 CO 0.13 0.48 -0.24 -0.44 -1.93 0.00 0.00 178.83 176.83 1aar h ASP 32 N 0.29 -0.88 0.01 -0.69 3.32 -1.08 0.73 116.42 118.12 1aar h ASP 32 Ca 0.09 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1aar h ASP 32 Cb 0.23 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1aar h ASP 32 CO -0.00 -0.27 -0.01 0.50 -1.72 0.00 0.00 179.24 177.74 1aar h LYS 33 N -0.05 -0.02 0.00 3.56 3.64 -1.17 -3.41 116.57 119.12 1aar h LYS 33 Ca 0.32 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1aar h LYS 33 Cb 0.55 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1aar h LYS 33 CO -0.75 0.44 -1.92 0.39 -2.27 0.00 0.00 179.45 175.33 1aar n GLU 34 N -4.72 0.66 -0.54 1.90 -0.58 0.26 -5.01 120.64 112.61 1aar n GLU 34 Ca -0.05 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1aar n GLU 34 Cb 0.22 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1aar n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aar n GLY 35 N 1.42 0.73 3.64 0.62 0.00 0.25 -5.00 105.19 106.86 1aar n GLY 35 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1aar n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aar s ILE 36 N -2.05 4.63 0.20 -0.61 1.01 -1.26 -4.96 121.20 118.16 1aar s ILE 36 Ca 0.00 1.62 -0.33 0.00 0.00 0.00 0.00 60.65 61.95 1aar s ILE 36 Cb 0.00 -4.31 -0.13 0.00 0.01 0.00 0.00 42.46 38.03 1aar s ILE 36 CO 0.00 -0.35 1.60 -2.65 0.00 0.00 0.00 174.94 173.54 1aar n PRO 37 N 6.55 2.37 -0.34 2.79 -0.02 -1.26 -3.95 135.00 141.14 1aar n PRO 37 Ca 0.09 0.85 0.21 0.00 -2.02 0.00 0.00 63.50 62.63 1aar n PRO 37 Cb 0.47 -2.63 0.44 0.00 -0.02 0.00 0.00 33.50 31.76 1aar n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1aar h PRO 38 N 5.80 0.46 -0.04 0.52 0.11 -1.94 0.18 132.00 137.08 1aar h PRO 38 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1aar h PRO 38 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1aar h PRO 38 CO 0.88 0.30 0.04 -0.44 -0.21 0.00 0.00 178.00 178.57 1aar h ASP 39 N 0.47 0.00 0.83 -2.05 3.32 -1.97 -1.46 116.42 115.57 1aar h ASP 39 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1aar h ASP 39 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1aar h ASP 39 CO -0.47 0.00 -0.28 0.00 -1.72 0.00 0.00 179.24 176.77 1aar n GLN 40 N -4.16 0.07 -3.90 3.56 3.00 0.61 -4.83 117.38 111.72 1aar n GLN 40 Ca -0.02 0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.66 1aar n GLN 40 Cb 0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 30.24 28.77 1aar n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1aar s GLN 41 N -3.03 3.44 -0.15 -1.09 -0.21 -0.55 -0.26 119.66 117.80 1aar s GLN 41 Ca 0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.20 1aar s GLN 41 Cb 0.17 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 31.11 1aar s GLN 41 CO 0.63 0.70 -0.03 1.03 -2.12 0.00 0.00 175.29 175.49 1aar s ARG 42 N -1.76 1.22 -0.02 2.91 1.81 -0.89 -4.91 118.95 117.31 1aar s ARG 42 Ca 0.25 -0.41 -0.02 0.00 -1.72 0.00 0.00 55.73 53.83 1aar s ARG 42 Cb -0.12 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 1aar s ARG 42 CO 0.16 -0.44 0.13 -0.51 -0.68 0.00 0.00 175.30 173.96 1aar s LEU 43 N 1.71 4.14 -0.01 2.53 1.43 -1.26 -2.01 118.68 125.21 1aar s LEU 43 Ca 0.01 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1aar s LEU 43 Cb -0.15 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 1aar s LEU 43 CO -0.07 0.28 -0.07 -0.63 0.23 0.00 0.00 176.35 176.09 1aar s ILE 44 N -1.23 0.53 -0.03 -0.59 1.01 -0.21 -0.62 121.20 120.06 1aar s ILE 44 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1aar s ILE 44 Cb -0.12 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1aar s ILE 44 CO 0.15 0.16 -0.03 0.12 0.00 0.00 0.00 174.94 175.33 1aar s PHE 45 N -0.07 0.50 -1.30 3.97 5.36 0.22 -0.96 117.98 125.71 1aar s PHE 45 Ca 0.01 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1aar s PHE 45 Cb -0.04 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 1aar s PHE 45 CO -0.00 -0.11 0.73 0.00 -1.46 0.00 0.00 175.22 174.38 1aar n ALA 46 N 3.70 -2.01 -0.50 11.12 0.00 -1.26 -1.04 120.51 130.53 1aar n ALA 46 Ca -0.22 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1aar n ALA 46 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1aar n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aar n GLY 47 N -1.54 0.57 3.63 0.00 0.00 -1.26 -4.96 105.19 101.63 1aar n GLY 47 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1aar n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aar s LYS 48 N -0.46 2.31 0.12 1.61 1.02 -0.20 -5.10 119.74 119.04 1aar s LYS 48 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1aar s LYS 48 Cb 0.00 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.85 1aar s LYS 48 CO 0.00 0.51 1.13 -1.14 -0.92 0.00 0.00 175.35 174.93 1aar s GLN 49 N -2.34 4.53 0.06 1.68 0.74 -1.26 -0.61 119.66 122.46 1aar s GLN 49 Ca 0.24 1.72 -0.06 0.00 0.05 0.00 0.00 55.36 57.30 1aar s GLN 49 Cb -0.11 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 1aar s GLN 49 CO 0.16 -0.06 0.31 -0.51 -0.55 0.00 0.00 175.29 174.65 1aar s LEU 50 N 0.25 4.34 0.02 3.68 1.43 0.21 -4.92 118.68 123.69 1aar s LEU 50 Ca 0.53 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1aar s LEU 50 Cb -0.29 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1aar s LEU 50 CO 0.32 0.18 0.28 -1.61 0.23 0.00 0.00 176.35 175.75 1aar s GLU 51 N -2.10 3.58 0.17 1.70 8.01 -1.26 -4.68 118.70 124.13 1aar s GLU 51 Ca 0.33 -0.09 -0.21 0.00 0.01 0.00 0.00 54.97 55.01 1aar s GLU 51 Cb -0.13 -3.06 0.08 0.00 -4.31 0.00 0.00 34.13 26.72 1aar s GLU 51 CO 0.20 0.63 1.61 -0.44 0.01 0.00 0.00 175.26 177.27 1aar h ASP 52 N 3.84 -0.91 0.98 -0.19 5.19 -1.99 -2.97 116.42 120.38 1aar h ASP 52 Ca -0.49 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1aar h ASP 52 Cb 1.19 0.45 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1aar h ASP 52 CO 0.67 -0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.12 1aar n GLY 53 N -1.41 -1.47 3.91 2.75 0.00 -1.26 -1.80 105.19 105.92 1aar n GLY 53 Ca 0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1aar n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aar s ARG 54 N -3.01 3.12 0.24 1.61 0.52 -1.12 -4.84 118.95 115.47 1aar s ARG 54 Ca 0.13 0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.51 1aar s ARG 54 Cb 0.18 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1aar s ARG 54 CO 0.51 -0.58 0.30 0.95 0.02 0.00 0.00 175.30 176.50 1aar s THR 55 N -2.95 5.00 0.32 0.02 -4.23 -1.26 -0.27 115.64 112.27 1aar s THR 55 Ca 0.52 -1.10 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1aar s THR 55 Cb -0.11 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.33 1aar s THR 55 CO 0.46 -0.32 1.88 -0.07 -0.54 0.00 0.00 174.62 176.02 1aar h LEU 56 N 1.33 0.79 -0.70 4.79 4.07 -1.36 -1.98 115.31 122.25 1aar h LEU 56 Ca -0.51 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.40 1aar h LEU 56 Cb 1.23 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 1aar h LEU 56 CO 0.61 0.44 0.02 0.77 -1.08 0.00 0.00 178.44 179.20 1aar h SER 57 N 0.86 1.00 -0.98 -0.43 4.64 -1.65 -1.65 113.55 115.34 1aar h SER 57 Ca 0.44 -0.27 0.13 0.00 -0.47 0.00 0.00 61.79 61.63 1aar h SER 57 Cb 0.51 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 1aar h SER 57 CO -0.20 1.04 0.62 0.44 -0.87 0.00 0.00 176.83 177.85 1aar h ASP 58 N 0.95 0.85 -0.17 4.97 3.32 -1.68 0.90 116.42 125.55 1aar h ASP 58 Ca 0.17 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1aar h ASP 58 Cb 0.52 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1aar h ASP 58 CO 0.03 0.43 0.00 -1.22 -1.72 0.00 0.00 179.24 176.75 1aar n TYR 59 N -4.62 0.22 -2.19 4.55 4.01 -1.06 -4.93 117.16 113.14 1aar n TYR 59 Ca 0.19 -0.11 -0.18 0.00 -0.16 0.00 0.00 57.90 57.64 1aar n TYR 59 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 1aar n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1aar n ASN 60 N 0.26 -5.16 -4.55 7.72 5.15 0.31 -4.96 115.26 114.02 1aar n ASN 60 Ca 0.15 0.06 -0.43 0.00 -0.60 0.00 0.00 54.58 53.77 1aar n ASN 60 Cb 0.30 -4.24 -0.04 0.00 -0.53 0.00 0.00 39.78 35.27 1aar n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aar s ILE 61 N -2.84 4.50 0.56 -1.44 1.01 -0.64 -5.01 121.20 117.34 1aar s ILE 61 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.31 1aar s ILE 61 Cb 0.00 -4.42 0.06 0.00 0.01 0.00 0.00 42.46 38.11 1aar s ILE 61 CO 0.00 -0.85 0.53 0.00 0.00 0.00 0.00 174.94 174.63 1aar n GLN 62 N 7.10 0.65 -1.58 2.79 6.02 -1.26 -4.50 117.38 126.60 1aar n GLN 62 Ca 0.05 -3.37 -0.43 0.00 -0.01 0.00 0.00 57.00 53.24 1aar n GLN 62 Cb 0.48 0.18 -0.00 0.00 1.02 0.00 0.00 30.24 31.93 1aar n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1aar n LYS 63 N -1.94 1.24 -1.29 -1.09 0.00 -1.26 -1.68 118.16 112.14 1aar n LYS 63 Ca 0.04 0.44 -0.10 0.00 -0.00 0.00 0.00 58.31 58.69 1aar n LYS 63 Cb 0.62 -1.88 -0.04 0.00 -0.00 0.00 0.00 35.03 33.73 1aar n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1aar n GLU 64 N 0.47 -1.33 -1.58 -1.58 -0.58 0.13 -4.99 120.64 111.18 1aar n GLU 64 Ca 0.10 0.81 -0.31 0.00 -0.42 0.00 0.00 57.16 57.34 1aar n GLU 64 Cb 0.36 -5.00 0.06 0.00 -0.57 0.00 0.00 31.44 26.28 1aar n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1aar s SER 65 N -2.49 5.18 -0.12 1.62 0.01 -0.68 -4.74 113.70 112.47 1aar s SER 65 Ca 0.00 1.53 0.01 0.00 1.31 0.00 0.00 55.95 58.80 1aar s SER 65 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1aar s SER 65 CO 0.00 -1.56 -0.16 -0.89 0.41 0.00 0.00 173.24 171.04 1aar s THR 66 N -3.08 2.78 0.31 1.44 2.01 -1.26 -0.93 115.64 116.91 1aar s THR 66 Ca 0.59 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.92 1aar s THR 66 Cb -0.14 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1aar s THR 66 CO 0.55 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 174.26 1aar s LEU 67 N 0.33 3.08 0.17 4.42 1.43 0.65 -4.76 118.68 124.01 1aar s LEU 67 Ca -0.13 -0.83 0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1aar s LEU 67 Cb -0.16 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1aar s LEU 67 CO 0.07 -0.13 -0.23 -1.00 0.23 0.00 0.00 176.35 175.28 1aar s HIS 68 N -2.43 2.36 -0.06 0.29 3.76 -0.13 -0.20 115.29 118.88 1aar s HIS 68 Ca 0.34 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 54.95 1aar s HIS 68 Cb -0.03 -1.20 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 1aar s HIS 68 CO 0.20 0.45 -0.22 -1.17 -0.85 0.00 0.00 174.74 173.15 1aar s LEU 69 N -2.50 2.00 0.05 0.89 2.96 -0.09 -1.05 118.68 120.94 1aar s LEU 69 Ca 0.19 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1aar s LEU 69 Cb -0.09 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 1aar s LEU 69 CO 0.10 0.19 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.47 1aar s VAL 70 N 0.05 1.18 -0.01 1.68 1.01 -0.85 -3.50 120.40 119.96 1aar s VAL 70 Ca -0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 1aar s VAL 70 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1aar s VAL 70 CO 0.04 -0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.46 1aar s LEU 71 N -1.27 3.98 -0.50 3.92 1.43 -1.26 -2.10 118.68 122.88 1aar s LEU 71 Ca 0.02 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1aar s LEU 71 Cb -0.08 -2.33 0.13 0.00 0.03 0.00 0.00 46.19 43.94 1aar s LEU 71 CO 0.02 0.27 0.24 -0.60 0.23 0.00 0.00 176.35 176.51 1aar s ARG 72 N -1.76 1.92 -0.07 1.70 3.00 0.64 -4.95 118.95 119.42 1aar s ARG 72 Ca 0.24 -2.55 -0.03 0.00 -1.00 0.00 0.00 55.73 52.38 1aar s ARG 72 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 1aar s ARG 72 CO 0.15 -1.10 0.08 -0.51 0.00 0.00 0.00 175.30 173.91 1aar s LEU 73 N -0.19 3.97 0.07 -0.88 1.02 -1.26 -4.50 118.68 116.91 1aar s LEU 73 Ca 0.17 0.27 -0.37 0.00 0.02 0.00 0.00 54.13 54.21 1aar s LEU 73 Cb -0.25 -2.05 -0.18 0.00 0.02 0.00 0.00 46.19 43.73 1aar s LEU 73 CO -0.01 0.36 1.22 -1.14 0.02 0.00 0.00 176.35 176.80 1aar n ARG 74 N 1.79 0.77 -2.96 1.70 3.00 -1.26 -3.26 116.66 116.44 1aar n ARG 74 Ca -0.17 0.28 -0.11 0.00 -0.00 0.00 0.00 57.85 57.84 1aar n ARG 74 Cb 0.54 -1.85 0.05 0.00 0.00 0.00 0.00 32.46 31.20 1aar n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aar n GLY 75 N 2.15 0.07 3.58 5.14 0.00 -1.26 -5.32 105.19 109.54 1aar n GLY 75 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1aar n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93