#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqs s ALA 48 N 0.00 -2.10 0.39 0.00 0.00 -1.26 -5.16 121.76 113.64 1rqs s ALA 48 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.04 1rqs s ALA 48 Cb 0.00 -2.65 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 1rqs s ALA 48 CO 0.00 -2.21 -0.00 -1.21 0.00 0.00 0.00 175.76 172.34 1rqs s GLU 49 N 1.71 1.91 0.27 0.00 2.02 -1.26 -5.15 118.70 118.22 1rqs s GLU 49 Ca 0.17 -2.07 -0.03 0.00 0.02 0.00 0.00 54.97 53.06 1rqs s GLU 49 Cb -0.05 -1.59 -0.05 0.00 0.10 0.00 0.00 34.13 32.54 1rqs s GLU 49 CO -0.06 -0.03 0.51 -1.21 0.02 0.00 0.00 175.26 174.48 1rqs s GLU 50 N -3.71 3.59 -0.48 1.61 2.02 -1.26 -5.05 118.70 115.42 1rqs s GLU 50 Ca 0.35 -0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.29 1rqs s GLU 50 Cb 0.09 -2.70 0.25 0.00 0.10 0.00 0.00 34.13 31.87 1rqs s GLU 50 CO 0.18 0.26 0.60 1.63 0.02 0.00 0.00 175.26 177.95 1rqs n LYS 51 N -0.93 1.36 -1.52 1.61 4.01 -1.26 -4.87 118.16 116.55 1rqs n LYS 51 Ca -0.03 -3.74 -0.05 0.00 -0.51 0.00 0.00 58.31 53.99 1rqs n LYS 51 Cb 0.54 -1.59 0.10 0.00 -0.51 0.00 0.00 35.03 33.57 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1rqs n THR 52 N 1.22 1.81 -3.63 -0.18 -2.24 -1.26 -4.93 114.28 105.07 1rqs n THR 52 Ca 0.24 -3.13 -0.29 0.00 -2.27 0.00 0.00 64.05 58.60 1rqs n THR 52 Cb 0.49 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.89 1.12 0.01 -0.78 2.02 -1.26 -4.20 118.70 112.72 1rqs s GLU 53 Ca 0.40 -1.90 0.01 0.00 0.02 0.00 0.00 54.97 53.50 1rqs s GLU 53 Cb 0.38 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1rqs s GLU 53 CO -0.05 -1.20 0.02 -0.06 0.02 0.00 0.00 175.26 173.99 1rqs s PHE 54 N 0.43 3.11 -0.14 1.61 0.40 -0.42 -4.66 117.98 118.31 1rqs s PHE 54 Ca 0.19 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1rqs s PHE 54 Cb -0.21 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1rqs s PHE 54 CO -0.02 0.48 -0.06 -0.51 0.70 0.00 0.00 175.22 175.82 1rqs s ASP 55 N -1.66 4.65 -0.34 1.36 1.11 -0.33 -0.48 116.67 120.98 1rqs s ASP 55 Ca 0.21 -0.15 -0.09 0.00 0.18 0.00 0.00 52.55 52.70 1rqs s ASP 55 Cb -0.12 -1.71 0.02 0.00 1.07 0.00 0.00 42.92 42.19 1rqs s ASP 55 CO 0.12 0.19 0.15 -0.69 1.18 0.00 0.00 175.17 176.11 1rqs s VAL 56 N 0.26 4.31 0.05 -1.27 1.01 -0.12 -0.63 120.40 124.01 1rqs s VAL 56 Ca -0.04 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1rqs s VAL 56 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1rqs s VAL 56 CO 0.03 -0.10 0.03 -0.63 0.00 0.00 0.00 175.10 174.43 1rqs s ILE 57 N 1.53 4.27 -0.29 2.22 1.01 0.13 -0.55 121.20 129.52 1rqs s ILE 57 Ca 0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1rqs s ILE 57 Cb -0.18 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1rqs s ILE 57 CO 0.05 0.23 0.12 -0.22 0.00 0.00 0.00 174.94 175.12 1rqs s LEU 58 N -2.02 3.89 -0.13 2.97 2.96 0.89 -0.50 118.68 126.75 1rqs s LEU 58 Ca 0.24 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1rqs s LEU 58 Cb -0.12 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1rqs s LEU 58 CO 0.16 -0.15 -0.14 0.11 -1.32 0.00 0.00 176.35 175.02 1rqs h LYS 59 N 8.31 0.00 -3.70 1.98 1.79 -1.73 -1.63 116.57 121.58 1rqs h LYS 59 Ca -0.34 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 57.75 1rqs h LYS 59 Cb 1.15 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.45 1rqs h LYS 59 CO 0.60 0.00 -0.75 0.00 -1.08 0.00 0.00 179.45 178.22 1rqs s ALA 60 N -2.71 0.45 0.35 3.86 0.00 -1.03 -4.41 121.76 118.26 1rqs s ALA 60 Ca -0.11 0.07 0.23 0.00 0.00 0.00 0.00 51.96 52.14 1rqs s ALA 60 Cb 0.02 -0.48 1.15 0.00 0.00 0.00 0.00 23.12 23.81 1rqs s ALA 60 CO 0.17 -0.22 1.96 0.00 0.00 0.00 0.00 175.76 177.67 1rqs h ALA 61 N 7.67 1.26 -0.24 0.00 0.00 -1.90 0.16 119.26 126.21 1rqs h ALA 61 Ca -0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1rqs h ALA 61 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rqs h ALA 61 CO 0.38 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1rqs n GLY 62 N -0.47 -0.41 1.97 0.00 0.00 -1.26 -3.67 105.19 101.34 1rqs n GLY 62 Ca -0.01 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 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 3.80 5.29 -2.78 4.61 0.00 -1.26 -4.09 120.51 126.08 1rqs n ALA 63 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 53.44 51.31 1rqs n ALA 63 Cb 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.08 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 0.01 -1.11 0.28 0.00 2.85 -1.24 -4.94 115.26 111.10 1rqs n ASN 64 Ca 0.37 -3.01 0.13 0.00 -0.11 0.00 0.00 54.58 51.96 1rqs n ASN 64 Cb 0.66 0.84 0.82 0.00 1.24 0.00 0.00 39.78 43.33 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 2.65 0.00 0.57 1.20 3.64 -1.76 -1.81 116.57 121.06 1rqs h LYS 65 Ca -0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1rqs h LYS 65 Cb 1.16 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1rqs h LYS 65 CO 0.18 0.05 -0.27 0.28 -2.27 0.00 0.00 179.45 177.41 1rqs h VAL 66 N 0.00 0.00 -0.76 2.00 2.07 -1.94 0.01 116.25 117.63 1rqs h VAL 66 Ca -0.00 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1rqs h VAL 66 Cb 0.12 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 1rqs h VAL 66 CO 0.01 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.00 1rqs h ALA 67 N -1.43 1.07 0.64 1.67 0.00 -1.92 -1.05 119.26 118.24 1rqs h ALA 67 Ca -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rqs h ALA 67 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rqs h ALA 67 CO 0.13 0.01 -0.50 0.28 0.00 0.00 0.00 179.25 179.17 1rqs h VAL 68 N 0.68 0.00 -0.98 0.00 2.07 -1.31 0.17 116.25 116.86 1rqs h VAL 68 Ca 0.37 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.13 1rqs h VAL 68 Cb 0.38 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 1rqs h VAL 68 CO -0.26 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.37 1rqs h ILE 69 N -1.10 0.60 0.22 4.57 2.04 -0.42 0.24 117.51 123.66 1rqs h ILE 69 Ca -0.08 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1rqs h ILE 69 Cb 0.91 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1rqs h ILE 69 CO 0.02 0.08 -0.11 0.11 0.00 0.00 0.00 178.15 178.25 1rqs h LYS 70 N 0.41 -0.28 -0.74 2.37 1.57 -0.34 0.21 116.57 119.77 1rqs h LYS 70 Ca 0.54 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.43 1rqs h LYS 70 Cb 1.35 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 1rqs h LYS 70 CO -0.24 0.04 0.39 0.00 -0.57 0.00 0.00 179.45 179.06 1rqs h ALA 71 N 0.06 1.04 -0.47 3.86 0.00 0.20 0.64 119.26 124.58 1rqs h ALA 71 Ca -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rqs h ALA 71 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rqs h ALA 71 CO 0.05 -0.02 -0.10 0.28 0.00 0.00 0.00 179.25 179.46 1rqs h VAL 72 N 0.64 1.26 -0.18 0.00 2.07 -0.56 -1.06 116.25 118.43 1rqs h VAL 72 Ca 0.37 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1rqs h VAL 72 Cb 0.38 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1rqs h VAL 72 CO -0.27 0.41 0.07 0.03 0.02 0.00 0.00 177.57 177.83 1rqs h ARG 73 N 0.77 0.15 -0.47 1.57 2.47 0.16 0.76 114.38 119.80 1rqs h ARG 73 Ca 0.13 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.75 1rqs h ARG 73 Cb 0.61 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 1rqs h ARG 73 CO 0.04 0.10 -0.08 0.78 0.56 0.00 0.00 179.97 181.37 1rqs h GLY 74 N 0.16 0.90 1.49 0.04 0.00 -0.99 0.79 103.07 105.46 1rqs h GLY 74 Ca 0.08 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1rqs h GLY 74 CO -0.08 0.62 -0.08 0.00 0.00 0.00 0.00 176.54 177.00 1rqs h ALA 75 N 1.15 1.18 -2.33 3.60 0.00 -0.59 -3.41 119.26 118.86 1rqs h ALA 75 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rqs h ALA 75 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rqs h ALA 75 CO 0.04 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.06 1rqs n THR 76 N -4.21 0.00 0.00 0.00 -2.24 0.21 -5.07 114.28 102.97 1rqs n THR 76 Ca 0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rqs n THR 76 Cb 0.32 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 3.77 1.96 3.77 3.38 0.00 0.27 -5.02 105.19 113.32 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 3.41 0.45 0.99 1.43 -1.26 -4.95 118.68 118.75 1rqs s LEU 78 Ca 0.00 2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.88 1rqs s LEU 78 Cb 0.00 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.61 1.04 0.61 0.23 0.00 0.00 176.35 176.62 1rqs n GLY 79 N -0.48 -0.12 0.34 -3.19 0.00 -1.26 -4.58 105.19 95.89 1rqs n GLY 79 Ca 0.10 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 1.44 -0.51 0.32 0.99 6.46 -1.99 0.18 115.31 122.20 1rqs h LEU 80 Ca -0.46 0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1rqs h LEU 80 Cb 1.34 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1rqs h LEU 80 CO 0.56 -0.33 -0.17 0.50 -0.62 0.00 0.00 178.44 178.38 1rqs h LYS 81 N 0.02 -0.43 -0.96 1.25 3.64 -1.99 0.69 116.57 118.79 1rqs h LYS 81 Ca 0.56 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 60.25 1rqs h LYS 81 Cb 1.11 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 32.86 1rqs h LYS 81 CO -0.90 -0.29 0.14 0.93 -2.27 0.00 0.00 179.45 177.06 1rqs h GLU 82 N -0.45 0.05 -0.26 1.90 4.39 -1.41 0.82 114.58 119.62 1rqs h GLU 82 Ca -0.04 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1rqs h GLU 82 Cb 0.35 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1rqs h GLU 82 CO 0.07 0.03 0.10 0.00 -1.16 0.00 0.00 179.01 178.05 1rqs h ALA 83 N 1.93 0.34 0.19 3.43 0.00 -0.52 0.11 119.26 124.75 1rqs h ALA 83 Ca 0.62 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1rqs h ALA 83 Cb 1.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1rqs h ALA 83 CO -0.84 -0.06 -0.29 -0.22 0.00 0.00 0.00 179.25 177.84 1rqs h LYS 84 N 0.27 -0.53 -0.33 0.00 3.64 0.30 -0.83 116.57 119.09 1rqs h LYS 84 Ca 0.09 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1rqs h LYS 84 Cb 0.19 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1rqs h LYS 84 CO -0.01 -0.35 0.09 -0.44 -2.27 0.00 0.00 179.45 176.47 1rqs h ASP 85 N -0.55 0.07 -0.12 4.20 3.32 -0.67 1.00 116.42 123.66 1rqs h ASP 85 Ca 0.01 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1rqs h ASP 85 Cb 0.54 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1rqs h ASP 85 CO -0.12 0.07 -0.52 0.25 -1.72 0.00 0.00 179.24 177.20 1rqs h LEU 86 N 0.22 -1.65 -1.09 1.55 6.46 -0.33 0.37 115.31 120.83 1rqs h LEU 86 Ca 0.15 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.14 1rqs h LEU 86 Cb 0.14 0.65 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 1rqs h LEU 86 CO -0.18 -0.48 0.61 0.58 -0.62 0.00 0.00 178.44 178.36 1rqs h VAL 87 N -0.58 1.17 0.00 1.05 2.07 -0.75 0.72 116.25 119.93 1rqs h VAL 87 Ca 0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rqs h VAL 87 Cb 0.68 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1rqs h VAL 87 CO -0.42 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.05 1rqs h GLU 88 N 1.19 0.00 -0.44 1.57 4.39 0.84 -1.91 114.58 120.21 1rqs h GLU 88 Ca 0.37 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1rqs h GLU 88 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1rqs h GLU 88 CO -0.11 0.00 0.01 0.43 -1.16 0.00 0.00 179.01 178.18 1rqs n SER 89 N -2.42 4.88 -4.44 1.42 7.64 0.11 -5.01 113.62 115.80 1rqs n SER 89 Ca 0.02 -3.00 -0.38 0.00 1.01 0.00 0.00 58.87 56.52 1rqs n SER 89 Cb 0.26 -0.63 0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rqs n ALA 90 N 0.07 -1.48 -1.62 -0.43 0.00 -0.72 -4.48 120.51 111.85 1rqs n ALA 90 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 1rqs n ALA 90 Cb 1.08 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.77 1rqs n ALA 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rqs s PRO 91 N -2.16 3.12 0.07 0.00 0.04 -1.26 -5.10 135.00 129.70 1rqs s PRO 91 Ca 0.66 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1rqs s PRO 91 Cb -0.42 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1rqs s PRO 91 CO 0.57 -0.96 -0.06 0.00 0.04 0.00 0.00 177.00 176.59 1rqs s ALA 92 N -2.83 0.69 -0.35 8.56 0.00 -0.61 -4.98 121.76 122.26 1rqs s ALA 92 Ca 0.60 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 1rqs s ALA 92 Cb -0.14 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 1rqs s ALA 92 CO 0.48 -0.20 0.52 0.00 0.00 0.00 0.00 175.76 176.56 1rqs s ALA 93 N -2.91 3.48 -0.13 0.00 0.00 -1.26 -0.07 121.76 120.86 1rqs s ALA 93 Ca 0.03 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 1rqs s ALA 93 Cb 0.01 -3.02 -0.26 0.00 0.00 0.00 0.00 23.12 19.84 1rqs s ALA 93 CO -0.04 -1.21 0.70 -0.07 0.00 0.00 0.00 175.76 175.14 1rqs h LEU 94 N 9.10 0.13 -7.81 0.00 3.38 -1.16 -3.48 115.31 115.47 1rqs h LEU 94 Ca -0.28 -0.91 -0.13 0.00 0.09 0.00 0.00 57.88 56.65 1rqs h LEU 94 Cb 1.12 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1rqs h LEU 94 CO 0.77 1.20 -0.50 -0.54 0.09 0.00 0.00 178.44 179.47 1rqs s LYS 95 N -2.30 0.54 -0.06 1.13 1.02 -0.84 -4.90 119.74 114.32 1rqs s LYS 95 Ca -0.19 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1rqs s LYS 95 Cb -0.00 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1rqs s LYS 95 CO 0.71 -0.13 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.76 1rqs s GLU 96 N -1.97 0.94 -1.06 1.68 2.02 -1.26 -0.94 118.70 118.11 1rqs s GLU 96 Ca -0.10 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 1rqs s GLU 96 Cb -0.05 -1.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 1rqs s GLU 96 CO -0.01 -0.17 0.92 0.41 0.02 0.00 0.00 175.26 176.43 1rqs n GLY 97 N 4.50 -0.94 3.61 -1.39 0.00 -0.86 -4.95 105.19 105.16 1rqs n GLY 97 Ca -0.17 0.46 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.37 2.97 0.44 1.61 -7.23 0.37 -4.69 120.40 110.49 1rqs s VAL 98 Ca 0.34 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 1rqs s VAL 98 Cb -0.04 -2.73 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1rqs s VAL 98 CO 0.72 -0.31 1.28 -1.54 -0.31 0.00 0.00 175.10 174.94 1rqs n SER 99 N -0.88 2.58 -0.23 4.85 3.41 -1.26 -1.30 113.62 120.79 1rqs n SER 99 Ca -0.05 1.09 -0.02 0.00 -0.26 0.00 0.00 58.87 59.64 1rqs n SER 99 Cb 0.60 -1.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.14 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 2.02 0.67 -0.93 4.33 3.11 -1.92 -0.14 116.57 123.71 1rqs h LYS 100 Ca -0.48 -0.04 0.10 0.00 -2.81 0.00 0.00 60.65 57.41 1rqs h LYS 100 Cb 1.29 -0.15 -0.07 0.00 -1.00 0.00 0.00 32.23 32.31 1rqs h LYS 100 CO 0.60 0.44 0.60 -0.44 -2.81 0.00 0.00 179.45 177.83 1rqs h ASP 101 N 0.69 0.86 -0.20 4.20 5.19 -1.99 0.19 116.42 125.35 1rqs h ASP 101 Ca 0.30 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.57 1rqs h ASP 101 Cb 0.18 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1rqs h ASP 101 CO -0.18 0.50 -0.50 0.44 -3.12 0.00 0.00 179.24 176.38 1rqs h ASP 102 N 0.95 0.79 -0.39 6.45 3.32 -1.54 -0.51 116.42 125.48 1rqs h ASP 102 Ca 0.43 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1rqs h ASP 102 Cb 0.39 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1rqs h ASP 102 CO -0.19 1.21 0.22 0.00 -1.72 0.00 0.00 179.24 178.76 1rqs h ALA 103 N 0.59 0.49 -0.44 3.45 0.00 0.44 -2.21 119.26 121.58 1rqs h ALA 103 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1rqs h ALA 103 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1rqs h ALA 103 CO 0.11 -0.13 -0.29 1.49 0.00 0.00 0.00 179.25 180.43 1rqs h GLU 104 N 0.44 0.96 -0.28 0.00 4.22 -0.66 -1.80 114.58 117.47 1rqs h GLU 104 Ca 0.16 -0.45 0.05 0.00 0.08 0.00 0.00 59.36 59.20 1rqs h GLU 104 Cb 0.03 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1rqs h GLU 104 CO -0.08 1.12 -0.02 0.00 -2.18 0.00 0.00 179.01 177.84 1rqs h ALA 105 N 0.84 0.23 -0.31 2.92 0.00 -0.68 0.13 119.26 122.40 1rqs h ALA 105 Ca 0.09 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1rqs h ALA 105 Cb 0.88 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rqs h ALA 105 CO 0.08 -0.43 -0.42 1.25 0.00 0.00 0.00 179.25 179.73 1rqs h LEU 106 N 0.06 0.83 -0.18 0.00 5.85 -1.38 -2.80 115.31 117.69 1rqs h LEU 106 Ca 0.14 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1rqs h LEU 106 Cb 0.19 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1rqs h LEU 106 CO -0.25 1.14 -0.11 0.50 -0.34 0.00 0.00 178.44 179.38 1rqs h LYS 107 N 0.63 -0.10 -0.95 1.25 3.64 -0.38 0.14 116.57 120.80 1rqs h LYS 107 Ca 0.05 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1rqs h LYS 107 Cb 0.98 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.75 1rqs h LYS 107 CO 0.09 -0.06 0.59 1.57 -2.27 0.00 0.00 179.45 179.37 1rqs h LYS 108 N -0.10 0.95 -0.72 1.90 5.09 -0.67 0.10 116.57 123.12 1rqs h LYS 108 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 60.65 60.72 1rqs h LYS 108 Cb 0.26 -0.21 -0.03 0.00 0.10 0.00 0.00 32.23 32.34 1rqs h LYS 108 CO -0.25 0.63 0.18 0.00 -2.09 0.00 0.00 179.45 177.92 1rqs h ALA 109 N 1.50 0.95 -0.44 0.07 0.00 -0.90 0.17 119.26 120.61 1rqs h ALA 109 Ca 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rqs h ALA 109 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rqs h ALA 109 CO -0.24 0.67 0.21 -0.07 0.00 0.00 0.00 179.25 179.82 1rqs h LEU 110 N 1.09 0.59 -0.80 0.00 -0.00 0.12 -2.56 115.31 113.75 1rqs h LEU 110 Ca 0.23 -0.13 -0.12 0.00 -0.00 0.00 0.00 57.88 57.86 1rqs h LEU 110 Cb 0.37 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1rqs h LEU 110 CO 0.00 0.55 -0.41 -0.33 -0.00 0.00 0.00 178.44 178.26 1rqs h GLU 111 N 0.58 0.41 -0.95 1.13 5.08 -0.43 0.88 114.58 121.27 1rqs h GLU 111 Ca 0.15 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1rqs h GLU 111 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1rqs h GLU 111 CO -0.02 0.75 0.62 0.93 -1.00 0.00 0.00 179.01 180.29 1rqs h GLU 112 N 0.34 1.12 0.01 2.33 4.39 -0.38 -1.92 114.58 120.47 1rqs h GLU 112 Ca 0.03 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.43 1rqs h GLU 112 Cb 0.86 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1rqs h GLU 112 CO 0.07 0.74 -1.17 0.00 -1.16 0.00 0.00 179.01 177.49 1rqs h ALA 113 N 1.46 0.41 0.00 3.43 0.00 -1.06 -3.48 119.26 120.03 1rqs h ALA 113 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rqs h ALA 113 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rqs h ALA 113 CO -0.14 1.30 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1rqs n GLY 114 N 1.41 0.82 3.28 0.00 0.00 0.13 -4.76 105.19 106.08 1rqs n GLY 114 Ca -0.04 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.67 1.66 -0.26 4.61 0.00 -0.22 -4.09 121.76 121.80 1rqs s ALA 115 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1rqs s ALA 115 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1rqs s ALA 115 CO 0.00 -0.00 0.26 -2.00 0.00 0.00 0.00 175.76 174.02 1rqs s GLU 116 N -3.53 4.01 0.35 0.00 2.12 0.56 -4.30 118.70 117.91 1rqs s GLU 116 Ca 0.17 -0.16 0.08 0.00 0.36 0.00 0.00 54.97 55.43 1rqs s GLU 116 Cb 0.00 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1rqs s GLU 116 CO 0.03 -0.16 0.22 0.08 -0.54 0.00 0.00 175.26 174.90 1rqs s VAL 117 N 1.70 3.17 -0.03 3.70 1.01 -1.26 -2.21 120.40 126.49 1rqs s VAL 117 Ca 0.11 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1rqs s VAL 117 Cb -0.15 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1rqs s VAL 117 CO 0.09 -0.16 -0.02 -0.70 0.00 0.00 0.00 175.10 174.32 1rqs s GLU 118 N -3.93 0.42 -0.23 2.72 2.12 0.34 -4.78 118.70 115.36 1rqs s GLU 118 Ca 0.40 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.66 1rqs s GLU 118 Cb -0.04 -0.52 -0.02 0.00 0.26 0.00 0.00 34.13 33.81 1rqs s GLU 118 CO 0.25 -0.08 0.02 0.08 -0.54 0.00 0.00 175.26 174.98 1rqs s VAL 119 N 0.76 3.88 0.00 3.70 1.01 -1.26 -0.69 120.40 127.80 1rqs s VAL 119 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1rqs s VAL 119 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1rqs s VAL 119 CO -0.01 0.38 0.39 1.17 0.00 0.00 0.00 175.10 177.04