#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqs n ALA 48 N 0.00 -1.58 -3.17 0.00 0.00 -1.26 -5.06 120.51 109.44 1rqs n ALA 48 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1rqs n ALA 48 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 19.45 16.01 1rqs n ALA 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rqs s GLU 49 N -3.84 0.55 -0.30 0.00 2.02 -1.26 -5.14 118.70 110.73 1rqs s GLU 49 Ca 0.24 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 1rqs s GLU 49 Cb -0.03 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 1rqs s GLU 49 CO 0.41 -0.14 0.38 -1.21 0.02 0.00 0.00 175.26 174.73 1rqs s GLU 50 N -1.18 3.83 -0.33 1.61 8.01 -1.26 -5.04 118.70 124.34 1rqs s GLU 50 Ca -0.12 -0.13 -0.04 0.00 0.01 0.00 0.00 54.97 54.69 1rqs s GLU 50 Cb -0.06 -3.72 0.05 0.00 -4.31 0.00 0.00 34.13 26.10 1rqs s GLU 50 CO 0.03 -0.40 0.08 0.21 0.01 0.00 0.00 175.26 175.19 1rqs s LYS 51 N 2.09 2.48 -0.04 1.61 2.20 -1.26 -4.89 119.74 121.93 1rqs s LYS 51 Ca 0.14 -1.29 0.06 0.00 -0.36 0.00 0.00 55.97 54.52 1rqs s LYS 51 Cb -0.16 -3.38 0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1rqs s LYS 51 CO 0.11 -0.70 1.00 0.25 -0.36 0.00 0.00 175.35 175.65 1rqs n THR 52 N 4.72 1.13 -3.61 3.43 -2.24 -1.26 -4.93 114.28 111.52 1rqs n THR 52 Ca -0.12 -1.25 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 1rqs n THR 52 Cb 0.44 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 1rqs n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rqs s GLU 53 N -1.44 0.36 0.04 -0.78 2.02 -1.26 -4.44 118.70 113.20 1rqs s GLU 53 Ca 0.10 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1rqs s GLU 53 Cb 0.09 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 1rqs s GLU 53 CO 0.01 -0.98 0.01 -0.06 0.02 0.00 0.00 175.26 174.25 1rqs s PHE 54 N 1.94 3.05 -0.16 1.61 0.40 -0.53 -4.73 117.98 119.57 1rqs s PHE 54 Ca 0.09 0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1rqs s PHE 54 Cb -0.16 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1rqs s PHE 54 CO -0.31 0.47 -0.02 -0.51 0.70 0.00 0.00 175.22 175.55 1rqs s ASP 55 N -1.90 4.91 -0.37 1.36 1.01 0.05 -0.45 116.67 121.28 1rqs s ASP 55 Ca 0.23 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.27 1rqs s ASP 55 Cb -0.12 -1.81 0.03 0.00 1.01 0.00 0.00 42.92 42.03 1rqs s ASP 55 CO 0.14 0.17 0.20 -0.69 0.21 0.00 0.00 175.17 175.20 1rqs s VAL 56 N 0.39 4.56 0.07 -1.27 1.01 -0.62 -1.20 120.40 123.34 1rqs s VAL 56 Ca -0.03 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1rqs s VAL 56 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1rqs s VAL 56 CO 0.03 -0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.25 1rqs s ILE 57 N 1.55 3.93 -0.24 2.22 1.09 -0.23 -0.57 121.20 128.95 1rqs s ILE 57 Ca 0.02 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.56 1rqs s ILE 57 Cb -0.19 -2.83 -0.03 0.00 -1.06 0.00 0.00 42.46 38.35 1rqs s ILE 57 CO 0.07 0.19 0.05 -0.22 -0.10 0.00 0.00 174.94 174.92 1rqs s LEU 58 N -2.09 3.38 -0.23 2.97 2.96 0.15 -0.34 118.68 125.48 1rqs s LEU 58 Ca 0.23 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1rqs s LEU 58 Cb -0.12 -1.89 -0.11 0.00 0.50 0.00 0.00 46.19 44.57 1rqs s LEU 58 CO 0.15 -0.01 -0.26 0.29 -1.32 0.00 0.00 176.35 175.20 1rqs n LYS 59 N 4.78 0.50 -4.30 1.98 5.02 -1.01 -1.67 118.16 123.47 1rqs n LYS 59 Ca -0.16 0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1rqs n LYS 59 Cb 0.51 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 1rqs n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rqs s ALA 60 N -2.42 0.72 0.04 7.82 0.00 -0.80 -4.54 121.76 122.57 1rqs s ALA 60 Ca -0.31 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1rqs s ALA 60 Cb 0.11 -0.28 -0.23 0.00 0.00 0.00 0.00 23.12 22.72 1rqs s ALA 60 CO 0.44 0.11 0.99 0.00 0.00 0.00 0.00 175.76 177.30 1rqs h ALA 61 N 6.39 0.45 0.00 0.00 0.00 -1.92 -1.10 119.26 123.09 1rqs h ALA 61 Ca -0.33 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.45 1rqs h ALA 61 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rqs h ALA 61 CO 0.49 1.32 0.00 0.41 0.00 0.00 0.00 179.25 181.47 1rqs n GLY 62 N 1.49 -2.00 1.77 0.00 0.00 -1.26 -4.08 105.19 101.11 1rqs n GLY 62 Ca -0.09 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1rqs n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqs n ALA 63 N 0.30 4.72 -2.83 4.61 0.00 -1.26 -3.98 120.51 122.07 1rqs n ALA 63 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 51.98 1rqs n ALA 63 Cb 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.22 1rqs n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rqs n ASN 64 N 0.41 -1.04 0.27 0.00 2.85 -1.26 -4.94 115.26 111.55 1rqs n ASN 64 Ca 0.25 -3.18 0.12 0.00 -0.11 0.00 0.00 54.58 51.66 1rqs n ASN 64 Cb 0.64 0.84 0.74 0.00 1.24 0.00 0.00 39.78 43.23 1rqs n ASN 64 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1rqs h LYS 65 N 2.81 0.00 0.09 1.20 3.64 -1.78 -1.71 116.57 120.82 1rqs h LYS 65 Ca -0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1rqs h LYS 65 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1rqs h LYS 65 CO 0.23 0.09 -0.05 0.28 -2.27 0.00 0.00 179.45 177.73 1rqs h VAL 66 N 0.00 0.99 -0.60 2.00 2.07 -1.94 0.39 116.25 119.16 1rqs h VAL 66 Ca -0.00 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1rqs h VAL 66 Cb 0.22 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1rqs h VAL 66 CO 0.01 0.08 0.08 0.00 0.02 0.00 0.00 177.57 177.76 1rqs h ALA 67 N 0.63 0.80 0.65 1.67 0.00 -1.84 -2.63 119.26 118.53 1rqs h ALA 67 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1rqs h ALA 67 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rqs h ALA 67 CO 0.02 0.56 -0.49 0.28 0.00 0.00 0.00 179.25 179.63 1rqs h VAL 68 N 0.90 0.00 -1.05 0.00 2.07 -1.13 0.11 116.25 117.16 1rqs h VAL 68 Ca 0.18 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.97 1rqs h VAL 68 Cb 0.44 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 1rqs h VAL 68 CO 0.01 0.00 0.66 0.40 0.02 0.00 0.00 177.57 178.67 1rqs h ILE 69 N -1.09 0.51 0.23 4.57 2.04 -0.88 0.32 117.51 123.21 1rqs h ILE 69 Ca -0.09 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1rqs h ILE 69 Cb 0.90 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1rqs h ILE 69 CO 0.03 0.08 -0.11 0.11 0.00 0.00 0.00 178.15 178.25 1rqs h LYS 70 N 0.42 -0.30 -0.62 2.37 1.57 -0.96 -0.01 116.57 119.02 1rqs h LYS 70 Ca 0.62 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.50 1rqs h LYS 70 Cb 1.50 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.81 1rqs h LYS 70 CO -0.34 0.00 0.27 0.00 -0.57 0.00 0.00 179.45 178.81 1rqs h ALA 71 N 0.04 0.82 -0.15 3.86 0.00 0.20 0.44 119.26 124.47 1rqs h ALA 71 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rqs h ALA 71 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rqs h ALA 71 CO 0.05 -0.13 0.00 0.28 0.00 0.00 0.00 179.25 179.46 1rqs n VAL 72 N -4.93 0.00 -0.36 0.00 0.31 0.78 -0.80 118.33 113.33 1rqs n VAL 72 Ca 0.09 1.47 0.33 0.00 -0.01 0.00 0.00 64.34 66.22 1rqs n VAL 72 Cb 0.25 -2.47 0.68 0.00 -0.91 0.00 0.00 33.84 31.38 1rqs n VAL 72 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1rqs h ARG 73 N 0.00 0.12 -0.14 5.55 2.43 -0.86 0.86 114.38 122.35 1rqs h ARG 73 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1rqs h ARG 73 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1rqs h ARG 73 CO 0.00 0.08 -0.55 0.78 -1.51 0.00 0.00 179.97 178.77 1rqs h GLY 74 N 0.12 0.44 1.38 2.80 0.00 0.19 0.84 103.07 108.84 1rqs h GLY 74 Ca 0.63 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1rqs h GLY 74 CO -0.14 0.46 -0.73 0.00 0.00 0.00 0.00 176.54 176.14 1rqs h ALA 75 N 1.10 0.68 -1.81 3.60 0.00 0.27 -3.43 119.26 119.67 1rqs h ALA 75 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rqs h ALA 75 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqs h ALA 75 CO 0.09 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.78 1rqs n THR 76 N -2.88 0.00 0.00 0.00 -2.24 0.65 -5.07 114.28 104.74 1rqs n THR 76 Ca -0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1rqs n THR 76 Cb 0.60 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1rqs n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rqs n GLY 77 N 3.49 1.91 3.77 3.38 0.00 0.29 -5.01 105.19 113.02 1rqs n GLY 77 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1rqs n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqs s LEU 78 N 0.00 3.40 0.63 0.99 1.43 -1.26 -4.96 118.68 118.91 1rqs s LEU 78 Ca 0.00 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 1rqs s LEU 78 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1rqs s LEU 78 CO 0.00 -1.67 0.84 0.61 0.23 0.00 0.00 176.35 176.36 1rqs n GLY 79 N -0.39 -0.67 0.29 -3.19 0.00 -1.26 -4.56 105.19 95.42 1rqs n GLY 79 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1rqs n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rqs h LEU 80 N 0.21 -0.76 0.70 0.99 5.85 -1.99 0.31 115.31 120.61 1rqs h LEU 80 Ca -0.48 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1rqs h LEU 80 Cb 1.37 0.49 0.01 0.00 0.37 0.00 0.00 40.66 42.89 1rqs h LEU 80 CO 0.49 -0.26 -0.34 0.50 -0.34 0.00 0.00 178.44 178.49 1rqs h LYS 81 N -0.02 -0.91 -0.95 1.25 1.63 -1.99 -0.81 116.57 114.77 1rqs h LYS 81 Ca 0.35 0.06 0.28 0.00 -0.85 0.00 0.00 60.65 60.50 1rqs h LYS 81 Cb 0.55 0.21 -0.17 0.00 -0.60 0.00 0.00 32.23 32.22 1rqs h LYS 81 CO -0.77 -0.61 0.19 0.93 -3.45 0.00 0.00 179.45 175.74 1rqs h GLU 82 N -0.95 0.08 -0.29 1.90 4.39 -1.58 0.73 114.58 118.85 1rqs h GLU 82 Ca -0.10 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1rqs h GLU 82 Cb 0.73 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1rqs h GLU 82 CO 0.15 0.05 0.10 0.00 -1.16 0.00 0.00 179.01 178.16 1rqs h ALA 83 N 1.91 0.38 0.24 3.43 0.00 -0.17 0.22 119.26 125.26 1rqs h ALA 83 Ca 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1rqs h ALA 83 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1rqs h ALA 83 CO -0.80 -0.00 -0.25 -0.22 0.00 0.00 0.00 179.25 177.98 1rqs h LYS 84 N 0.32 -0.50 -0.43 0.00 3.64 0.18 -0.85 116.57 118.93 1rqs h LYS 84 Ca 0.10 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1rqs h LYS 84 Cb 0.21 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1rqs h LYS 84 CO -0.01 -0.34 0.18 -0.44 -2.27 0.00 0.00 179.45 176.58 1rqs h ASP 85 N -0.52 0.22 -0.18 4.20 3.32 -0.65 0.71 116.42 123.51 1rqs h ASP 85 Ca -0.00 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1rqs h ASP 85 Cb 0.49 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 1rqs h ASP 85 CO -0.06 0.16 -0.49 0.25 -1.72 0.00 0.00 179.24 177.38 1rqs h LEU 86 N 0.36 -1.56 -1.10 1.55 7.12 -0.10 0.54 115.31 122.13 1rqs h LEU 86 Ca 0.20 0.20 0.02 0.00 0.13 0.00 0.00 57.88 58.43 1rqs h LEU 86 Cb 0.16 0.63 -0.05 0.00 -0.53 0.00 0.00 40.66 40.86 1rqs h LEU 86 CO -0.18 -0.45 0.61 0.58 -0.13 0.00 0.00 178.44 178.87 1rqs h VAL 87 N -0.51 1.20 0.00 1.05 2.07 -0.69 0.58 116.25 119.95 1rqs h VAL 87 Ca 0.06 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rqs h VAL 87 Cb 0.65 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1rqs h VAL 87 CO -0.45 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.03 1rqs h GLU 88 N 1.20 0.00 -0.74 1.57 5.08 0.97 -2.40 114.58 120.27 1rqs h GLU 88 Ca 0.35 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1rqs h GLU 88 Cb -0.07 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 1rqs h GLU 88 CO -0.09 0.00 0.21 0.43 -1.00 0.00 0.00 179.01 178.56 1rqs n SER 89 N -2.40 4.88 -4.75 1.42 7.64 0.17 -4.97 113.62 115.60 1rqs n SER 89 Ca 0.02 -3.09 -0.38 0.00 1.01 0.00 0.00 58.87 56.43 1rqs n SER 89 Cb 0.27 -0.72 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rqs s ALA 90 N -2.81 2.86 0.57 -0.43 0.00 -0.90 -4.10 121.76 116.95 1rqs s ALA 90 Ca 0.52 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.59 1rqs s ALA 90 Cb 0.41 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1rqs s ALA 90 CO 0.13 -1.25 1.05 -1.25 0.00 0.00 0.00 175.76 174.44 1rqs s PRO 91 N -2.85 3.45 -0.16 0.00 0.04 -1.26 -5.09 135.00 129.12 1rqs s PRO 91 Ca 0.70 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 1rqs s PRO 91 Cb -0.39 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.15 1rqs s PRO 91 CO 0.46 -0.70 0.48 0.00 0.04 0.00 0.00 177.00 177.27 1rqs s ALA 92 N -2.43 -1.19 0.13 8.56 0.00 -0.67 -5.00 121.76 121.16 1rqs s ALA 92 Ca 0.63 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 1rqs s ALA 92 Cb -0.15 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 1rqs s ALA 92 CO 0.35 -0.24 1.21 0.00 0.00 0.00 0.00 175.76 177.08 1rqs s ALA 93 N 0.01 3.43 -0.18 0.00 0.00 -1.26 -0.68 121.76 123.08 1rqs s ALA 93 Ca -0.02 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 1rqs s ALA 93 Cb -0.03 -3.43 -0.21 0.00 0.00 0.00 0.00 23.12 19.44 1rqs s ALA 93 CO 0.02 -0.41 0.14 1.28 0.00 0.00 0.00 175.76 176.79 1rqs n LEU 94 N 3.20 2.46 -3.84 0.00 4.77 0.27 -4.90 117.00 118.96 1rqs n LEU 94 Ca 0.07 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1rqs n LEU 94 Cb 0.45 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1rqs n LEU 94 CO 0.56 0.71 -0.11 -0.54 -1.33 0.00 0.00 177.39 176.68 1rqs s LYS 95 N -2.50 0.53 -0.10 3.23 1.02 -0.91 -4.94 119.74 116.07 1rqs s LYS 95 Ca -0.28 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.42 1rqs s LYS 95 Cb 0.08 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1rqs s LYS 95 CO 0.67 -0.13 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.60 1rqs s GLU 96 N -1.31 2.23 -0.97 1.68 2.02 -1.26 -1.58 118.70 119.50 1rqs s GLU 96 Ca -0.14 -0.58 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 1rqs s GLU 96 Cb -0.07 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 1rqs s GLU 96 CO 0.02 0.00 0.78 0.41 0.02 0.00 0.00 175.26 176.50 1rqs n GLY 97 N 3.98 -1.14 3.66 -1.39 0.00 -1.08 -4.97 105.19 104.24 1rqs n GLY 97 Ca -0.20 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1rqs n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqs s VAL 98 N -3.27 3.52 0.41 1.61 -7.23 0.40 -4.73 120.40 111.11 1rqs s VAL 98 Ca 0.29 -1.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.32 1rqs s VAL 98 Cb -0.08 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 1rqs s VAL 98 CO 0.81 -0.37 1.35 -1.54 -0.31 0.00 0.00 175.10 175.03 1rqs n SER 99 N -0.92 2.98 -0.19 4.85 3.41 -1.26 -1.45 113.62 121.04 1rqs n SER 99 Ca -0.06 1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 59.67 1rqs n SER 99 Cb 0.59 -1.54 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1rqs n SER 99 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1rqs h LYS 100 N 2.35 0.46 -0.89 4.33 3.11 -1.93 -0.25 116.57 123.76 1rqs h LYS 100 Ca -0.49 -0.03 0.13 0.00 -2.81 0.00 0.00 60.65 57.45 1rqs h LYS 100 Cb 1.28 -0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.33 1rqs h LYS 100 CO 0.61 0.31 0.57 -0.44 -2.81 0.00 0.00 179.45 177.69 1rqs h ASP 101 N 0.48 0.70 0.60 4.20 5.19 -1.98 0.21 116.42 125.82 1rqs h ASP 101 Ca 0.27 0.04 -0.20 0.00 -0.62 0.00 0.00 57.03 56.52 1rqs h ASP 101 Cb 0.25 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1rqs h ASP 101 CO -0.23 0.37 -0.87 0.44 -3.12 0.00 0.00 179.24 175.83 1rqs h ASP 102 N 0.75 0.24 0.05 6.45 3.32 -1.49 -1.61 116.42 124.13 1rqs h ASP 102 Ca 0.43 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1rqs h ASP 102 Cb 0.62 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1rqs h ASP 102 CO -0.20 1.00 -0.03 0.00 -1.72 0.00 0.00 179.24 178.29 1rqs h ALA 103 N 0.99 -0.07 -0.08 3.45 0.00 0.91 -2.45 119.26 122.01 1rqs h ALA 103 Ca -0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1rqs h ALA 103 Cb 1.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1rqs h ALA 103 CO 0.13 -0.38 -0.48 1.05 0.00 0.00 0.00 179.25 179.58 1rqs h GLU 104 N -0.40 0.19 0.10 0.00 4.11 -0.91 -0.62 114.58 117.06 1rqs h GLU 104 Ca -0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1rqs h GLU 104 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1rqs h GLU 104 CO 0.01 0.63 -0.05 0.00 0.07 0.00 0.00 179.01 179.67 1rqs h ALA 105 N 1.36 -0.14 -0.32 1.06 0.00 -1.22 1.00 119.26 121.00 1rqs h ALA 105 Ca 0.01 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1rqs h ALA 105 Cb 0.90 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rqs h ALA 105 CO 0.07 -0.53 -0.42 1.25 0.00 0.00 0.00 179.25 179.62 1rqs h LEU 106 N -0.24 0.86 -0.18 0.00 5.85 -1.37 -2.86 115.31 117.36 1rqs h LEU 106 Ca -0.01 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1rqs h LEU 106 Cb 0.20 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1rqs h LEU 106 CO 0.02 1.16 -0.08 0.50 -0.34 0.00 0.00 178.44 179.70 1rqs h LYS 107 N 0.65 -0.06 -0.68 1.25 3.64 -0.87 0.40 116.57 120.90 1rqs h LYS 107 Ca 0.05 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1rqs h LYS 107 Cb 0.99 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1rqs h LYS 107 CO 0.09 -0.04 0.32 0.87 -2.27 0.00 0.00 179.45 178.42 1rqs h LYS 108 N -0.06 0.52 -0.65 1.90 1.57 -0.71 0.31 116.57 119.45 1rqs h LYS 108 Ca 0.10 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1rqs h LYS 108 Cb 0.21 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1rqs h LYS 108 CO -0.22 0.35 0.09 0.00 -0.57 0.00 0.00 179.45 179.09 1rqs h ALA 109 N 1.43 0.86 -0.61 3.86 0.00 -1.06 0.37 119.26 124.11 1rqs h ALA 109 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1rqs h ALA 109 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rqs h ALA 109 CO -0.28 0.64 0.24 -0.07 0.00 0.00 0.00 179.25 179.78 1rqs h LEU 110 N 1.00 0.84 -0.60 0.00 3.38 0.17 -1.91 115.31 118.20 1rqs h LEU 110 Ca 0.20 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1rqs h LEU 110 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rqs h LEU 110 CO 0.02 0.79 -0.25 -0.33 0.09 0.00 0.00 178.44 178.75 1rqs h GLU 111 N 0.85 0.85 -0.75 1.13 4.39 -0.20 -0.48 114.58 120.37 1rqs h GLU 111 Ca 0.20 -0.36 0.08 0.00 0.34 0.00 0.00 59.36 59.62 1rqs h GLU 111 Cb 0.21 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1rqs h GLU 111 CO -0.02 1.00 0.49 0.93 -1.16 0.00 0.00 179.01 180.26 1rqs h GLU 112 N 0.73 0.69 0.12 2.33 4.39 -0.48 -1.45 114.58 120.91 1rqs h GLU 112 Ca 0.09 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.48 1rqs h GLU 112 Cb 0.79 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1rqs h GLU 112 CO 0.07 0.45 -1.22 0.00 -1.16 0.00 0.00 179.01 177.15 1rqs h ALA 113 N 1.61 0.11 0.00 3.43 0.00 -0.92 -3.48 119.26 120.01 1rqs h ALA 113 Ca 0.34 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rqs h ALA 113 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rqs h ALA 113 CO -0.12 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1rqs n GLY 114 N 1.47 0.71 3.35 0.00 0.00 -0.26 -4.75 105.19 105.71 1rqs n GLY 114 Ca -0.09 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1rqs n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqs s ALA 115 N -1.19 1.95 -0.25 4.61 0.00 -0.76 -4.06 121.76 122.05 1rqs s ALA 115 Ca 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.12 1rqs s ALA 115 Cb 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 1rqs s ALA 115 CO 0.00 -0.18 0.01 -2.00 0.00 0.00 0.00 175.76 173.58 1rqs s GLU 116 N -3.81 3.28 -0.03 0.00 2.12 -0.42 -4.43 118.70 115.41 1rqs s GLU 116 Ca 0.28 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.98 1rqs s GLU 116 Cb 0.05 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 1rqs s GLU 116 CO 0.09 -0.28 -0.24 0.08 -0.54 0.00 0.00 175.26 174.36 1rqs s VAL 117 N 1.49 1.93 -0.16 3.70 1.01 -1.26 -1.91 120.40 125.20 1rqs s VAL 117 Ca 0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 1rqs s VAL 117 Cb -0.15 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1rqs s VAL 117 CO -0.01 0.54 0.18 -0.70 0.00 0.00 0.00 175.10 175.11 1rqs s GLU 118 N -0.45 3.99 -0.20 2.72 2.56 0.54 -4.95 118.70 122.92 1rqs s GLU 118 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.97 54.87 1rqs s GLU 118 Cb -0.11 -3.35 -0.02 0.00 2.00 0.00 0.00 34.13 32.65 1rqs s GLU 118 CO 0.00 0.43 -0.00 0.08 -0.56 0.00 0.00 175.26 175.21 1rqs s VAL 119 N -0.05 3.94 0.00 3.70 1.01 -1.26 -1.07 120.40 126.66 1rqs s VAL 119 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1rqs s VAL 119 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1rqs s VAL 119 CO 0.01 0.43 0.25 0.29 0.00 0.00 0.00 175.10 176.08