#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 -0.39 -2.32 0.00 0.00 -1.26 -5.14 120.51 111.40 1rqs n ALA 48 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 53.44 51.44 1rqs n ALA 48 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 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 0.27 1.22 0.13 0.00 0.41 -1.26 -5.15 118.70 114.32 1rqs s GLU 49 Ca 0.32 -1.56 -0.25 0.00 -0.41 0.00 0.00 54.97 53.08 1rqs s GLU 49 Cb 0.17 0.29 -0.07 0.00 -1.78 0.00 0.00 34.13 32.74 1rqs s GLU 49 CO -0.19 -0.41 0.75 -1.21 -0.49 0.00 0.00 175.26 173.72 1rqs s GLU 50 N -4.13 4.52 -0.69 1.61 2.02 -1.26 -5.00 118.70 115.78 1rqs s GLU 50 Ca 0.35 1.10 0.04 0.00 0.02 0.00 0.00 54.97 56.48 1rqs s GLU 50 Cb 0.06 -3.28 0.32 0.00 0.10 0.00 0.00 34.13 31.33 1rqs s GLU 50 CO 0.10 0.51 1.08 0.36 0.02 0.00 0.00 175.26 177.34 1rqs n LYS 51 N 1.88 3.52 -1.65 1.61 2.85 -1.26 -4.73 118.16 120.39 1rqs n LYS 51 Ca -0.05 -4.79 -0.06 0.00 -1.05 0.00 0.00 58.31 52.36 1rqs n LYS 51 Cb 0.49 -2.29 0.08 0.00 -0.65 0.00 0.00 35.03 32.66 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1rqs n THR 52 N 0.05 1.76 -3.61 0.58 -2.24 -1.26 -4.93 114.28 104.64 1rqs n THR 52 Ca 0.33 -3.13 -0.29 0.00 -2.27 0.00 0.00 64.05 58.69 1rqs n THR 52 Cb 0.37 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.91 1.08 -0.05 -0.78 2.02 -1.26 -4.39 118.70 112.41 1rqs s GLU 53 Ca 0.40 -1.88 -0.03 0.00 0.02 0.00 0.00 54.97 53.47 1rqs s GLU 53 Cb 0.38 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1rqs s GLU 53 CO -0.04 -1.21 0.13 -0.06 0.02 0.00 0.00 175.26 174.09 1rqs s PHE 54 N 0.44 3.46 -0.21 1.61 0.40 -0.28 -4.67 117.98 118.73 1rqs s PHE 54 Ca 0.20 0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 1rqs s PHE 54 Cb -0.20 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1rqs s PHE 54 CO -0.03 0.63 -0.02 -0.51 0.70 0.00 0.00 175.22 175.99 1rqs s ASP 55 N -1.50 4.53 -0.41 1.36 1.11 0.17 -0.40 116.67 121.53 1rqs s ASP 55 Ca 0.21 -0.31 -0.15 0.00 0.18 0.00 0.00 52.55 52.48 1rqs s ASP 55 Cb -0.12 -1.78 0.02 0.00 1.07 0.00 0.00 42.92 42.11 1rqs s ASP 55 CO 0.11 0.02 0.32 -0.69 1.18 0.00 0.00 175.17 176.11 1rqs s VAL 56 N 1.25 5.23 0.05 -1.27 1.01 -0.43 -1.69 120.40 124.55 1rqs s VAL 56 Ca 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1rqs s VAL 56 Cb -0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1rqs s VAL 56 CO -0.00 -0.30 0.04 -0.63 0.00 0.00 0.00 175.10 174.21 1rqs s ILE 57 N 1.76 4.37 -0.28 2.22 1.01 0.13 -0.48 121.20 129.93 1rqs s ILE 57 Ca 0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1rqs s ILE 57 Cb -0.19 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1rqs s ILE 57 CO 0.11 0.22 0.10 -0.22 0.00 0.00 0.00 174.94 175.15 1rqs s LEU 58 N -2.06 3.74 -0.11 2.97 2.96 0.23 -0.79 118.68 125.62 1rqs s LEU 58 Ca 0.25 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1rqs s LEU 58 Cb -0.12 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1rqs s LEU 58 CO 0.17 -0.12 -0.13 0.11 -1.32 0.00 0.00 176.35 175.06 1rqs h LYS 59 N 8.27 0.00 -3.49 1.98 1.79 -1.65 -1.77 116.57 121.71 1rqs h LYS 59 Ca -0.35 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.81 1rqs h LYS 59 Cb 1.16 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.46 1rqs h LYS 59 CO 0.59 0.00 -0.73 0.00 -1.08 0.00 0.00 179.45 178.23 1rqs s ALA 60 N -2.76 0.12 0.40 3.86 0.00 -1.01 -4.34 121.76 118.03 1rqs s ALA 60 Ca -0.11 0.28 0.25 0.00 0.00 0.00 0.00 51.96 52.39 1rqs s ALA 60 Cb 0.01 -0.32 1.34 0.00 0.00 0.00 0.00 23.12 24.15 1rqs s ALA 60 CO 0.16 -0.18 2.04 0.00 0.00 0.00 0.00 175.76 177.78 1rqs h ALA 61 N 7.51 1.31 -0.16 0.00 0.00 -1.91 0.30 119.26 126.32 1rqs h ALA 61 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rqs h ALA 61 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rqs h ALA 61 CO 0.42 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1rqs n GLY 62 N -0.66 -0.74 1.90 0.00 0.00 -1.26 -3.73 105.19 100.70 1rqs n GLY 62 Ca -0.02 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 3.19 5.08 -2.84 4.61 0.00 -1.26 -4.09 120.51 125.20 1rqs n ALA 63 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 53.44 51.45 1rqs n ALA 63 Cb 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.11 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 0.02 -0.87 0.24 0.00 4.05 -1.24 -4.95 115.26 112.50 1rqs n ASN 64 Ca 0.35 -3.12 0.07 0.00 0.45 0.00 0.00 54.58 52.32 1rqs n ASN 64 Cb 0.72 0.72 0.58 0.00 1.23 0.00 0.00 39.78 43.03 1rqs n ASN 64 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1rqs h LYS 65 N 2.79 0.00 0.54 1.20 3.64 -1.76 -1.88 116.57 121.09 1rqs h LYS 65 Ca -0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1rqs h LYS 65 Cb 1.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1rqs h LYS 65 CO 0.24 0.09 -0.26 0.28 -2.27 0.00 0.00 179.45 177.53 1rqs h VAL 66 N 0.00 0.00 -0.88 2.00 2.07 -1.94 0.10 116.25 117.60 1rqs h VAL 66 Ca -0.00 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1rqs h VAL 66 Cb 0.16 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 1rqs h VAL 66 CO 0.01 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.11 1rqs h ALA 67 N -1.58 1.31 0.46 1.67 0.00 -1.94 -1.40 119.26 117.78 1rqs h ALA 67 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rqs h ALA 67 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rqs h ALA 67 CO 0.12 0.08 -0.38 0.28 0.00 0.00 0.00 179.25 179.35 1rqs h VAL 68 N 0.80 0.00 -1.07 0.00 2.07 -1.23 0.14 116.25 116.97 1rqs h VAL 68 Ca 0.45 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.25 1rqs h VAL 68 Cb 0.49 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 1rqs h VAL 68 CO -0.28 0.00 0.69 0.40 0.02 0.00 0.00 177.57 178.39 1rqs h ILE 69 N -0.82 0.48 0.25 4.57 2.04 -0.17 0.41 117.51 124.28 1rqs h ILE 69 Ca -0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1rqs h ILE 69 Cb 0.69 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1rqs h ILE 69 CO -0.01 0.07 -0.12 0.11 0.00 0.00 0.00 178.15 178.20 1rqs h LYS 70 N 0.36 -0.33 -0.65 2.37 1.57 -0.50 -0.32 116.57 119.07 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 1.61 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.93 1rqs h LYS 70 CO -0.31 -0.04 0.30 0.00 -0.57 0.00 0.00 179.45 178.84 1rqs h ALA 71 N 0.03 0.86 -0.67 3.86 0.00 0.24 0.39 119.26 123.97 1rqs h ALA 71 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rqs h ALA 71 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rqs h ALA 71 CO 0.06 -0.10 0.00 0.28 0.00 0.00 0.00 179.25 179.49 1rqs n VAL 72 N -4.91 0.00 -0.36 0.00 0.31 0.99 -0.08 118.33 114.29 1rqs n VAL 72 Ca 0.09 1.39 0.33 0.00 -0.01 0.00 0.00 64.34 66.14 1rqs n VAL 72 Cb 0.25 -2.32 0.67 0.00 -0.91 0.00 0.00 33.84 31.53 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 0.13 -0.11 5.55 2.43 -0.91 0.92 114.38 122.39 1rqs h ARG 73 Ca 0.00 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 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 0.09 -0.61 0.78 -1.51 0.00 0.00 179.97 178.72 1rqs h GLY 74 N 0.13 0.41 1.42 2.80 0.00 0.18 0.74 103.07 108.75 1rqs h GLY 74 Ca 0.62 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1rqs h GLY 74 CO -0.14 0.45 -0.71 0.00 0.00 0.00 0.00 176.54 176.13 1rqs h ALA 75 N 1.07 0.69 -1.58 3.60 0.00 0.43 -3.42 119.26 120.05 1rqs h ALA 75 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rqs h ALA 75 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rqs h ALA 75 CO 0.10 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.84 1rqs n THR 76 N -2.91 0.00 0.00 0.00 -2.24 0.78 -5.07 114.28 104.84 1rqs n THR 76 Ca -0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1rqs n THR 76 Cb 0.62 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 3.40 1.95 3.77 3.38 0.00 0.26 -5.01 105.19 112.93 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 3.48 0.48 0.99 1.43 -1.26 -4.96 118.68 118.85 1rqs s LEU 78 Ca 0.00 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 1rqs s LEU 78 Cb 0.00 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 1rqs s LEU 78 CO 0.00 -1.49 1.05 0.61 0.23 0.00 0.00 176.35 176.75 1rqs n GLY 79 N -0.40 -0.09 0.34 -3.19 0.00 -1.26 -4.60 105.19 95.98 1rqs n GLY 79 Ca 0.10 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 1.30 -0.79 0.51 0.99 5.85 -1.99 0.20 115.31 121.38 1rqs h LEU 80 Ca -0.47 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1rqs h LEU 80 Cb 1.34 0.56 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1rqs h LEU 80 CO 0.55 -0.31 -0.26 0.50 -0.34 0.00 0.00 178.44 178.58 1rqs h LYS 81 N 0.01 -0.68 -0.96 1.25 3.64 -1.99 -0.41 116.57 117.43 1rqs h LYS 81 Ca 0.48 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.13 1rqs h LYS 81 Cb 0.78 0.15 -0.18 0.00 -0.41 0.00 0.00 32.23 32.58 1rqs h LYS 81 CO -0.95 -0.45 -0.08 0.93 -2.27 0.00 0.00 179.45 176.63 1rqs h GLU 82 N -0.70 0.01 -0.34 1.90 4.39 -1.42 0.85 114.58 119.28 1rqs h GLU 82 Ca -0.07 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1rqs h GLU 82 Cb 0.55 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1rqs h GLU 82 CO 0.10 0.01 0.19 0.00 -1.16 0.00 0.00 179.01 178.15 1rqs h ALA 83 N 1.95 0.43 0.21 3.43 0.00 -0.51 0.51 119.26 125.28 1rqs h ALA 83 Ca 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1rqs h ALA 83 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rqs h ALA 83 CO -0.93 -0.05 -0.25 -0.22 0.00 0.00 0.00 179.25 177.80 1rqs h LYS 84 N 0.43 -0.50 -0.41 0.00 3.64 0.23 -1.28 116.57 118.68 1rqs h LYS 84 Ca 0.12 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1rqs h LYS 84 Cb 0.04 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1rqs h LYS 84 CO -0.02 -0.33 0.07 -0.44 -2.27 0.00 0.00 179.45 176.46 1rqs h ASP 85 N -0.52 -0.00 -0.20 4.20 3.32 -0.48 0.10 116.42 122.85 1rqs h ASP 85 Ca 0.00 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1rqs h ASP 85 Cb 0.50 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 1rqs h ASP 85 CO -0.08 0.03 -0.49 0.25 -1.72 0.00 0.00 179.24 177.24 1rqs h LEU 86 N 0.20 -1.56 -1.06 1.55 6.46 -0.43 0.26 115.31 120.73 1rqs h LEU 86 Ca 0.20 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.19 1rqs h LEU 86 Cb 0.24 0.63 -0.05 0.00 -0.73 0.00 0.00 40.66 40.75 1rqs h LEU 86 CO -0.26 -0.44 0.63 0.58 -0.62 0.00 0.00 178.44 178.33 1rqs h VAL 87 N -0.50 1.17 0.00 1.05 2.07 -0.59 0.10 116.25 119.56 1rqs h VAL 87 Ca 0.07 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rqs h VAL 87 Cb 0.64 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1rqs h VAL 87 CO -0.46 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.02 1rqs h GLU 88 N 1.22 0.00 -0.50 1.57 4.39 0.98 -1.69 114.58 120.56 1rqs h GLU 88 Ca 0.38 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.99 1rqs h GLU 88 Cb -0.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1rqs h GLU 88 CO -0.11 0.00 0.08 -1.13 -1.16 0.00 0.00 179.01 176.69 1rqs n SER 89 N -2.49 4.51 -4.61 1.42 3.41 0.73 -5.01 113.62 111.57 1rqs n SER 89 Ca 0.02 -3.14 -0.38 0.00 -0.26 0.00 0.00 58.87 55.11 1rqs n SER 89 Cb 0.26 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.61 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqs n ALA 90 N -0.19 0.09 -1.64 7.33 0.00 -0.64 -4.36 120.51 121.10 1rqs n ALA 90 Ca 0.30 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1rqs n ALA 90 Cb 1.14 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.67 3.19 -0.11 0.00 0.04 -1.26 -5.10 135.00 129.10 1rqs s PRO 91 Ca 0.74 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 1rqs s PRO 91 Cb -0.43 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.13 1rqs s PRO 91 CO 0.48 -0.90 0.27 0.00 0.04 0.00 0.00 177.00 176.89 1rqs s ALA 92 N -2.73 -0.66 0.03 8.56 0.00 -0.67 -5.01 121.76 121.29 1rqs s ALA 92 Ca 0.61 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 1rqs s ALA 92 Cb -0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1rqs s ALA 92 CO 0.45 -0.15 1.35 0.00 0.00 0.00 0.00 175.76 177.41 1rqs s ALA 93 N 0.47 3.55 -0.18 0.00 0.00 -1.26 -0.60 121.76 123.74 1rqs s ALA 93 Ca -0.03 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 1rqs s ALA 93 Cb -0.04 -3.55 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 1rqs s ALA 93 CO -0.02 -0.76 0.39 -0.07 0.00 0.00 0.00 175.76 175.30 1rqs h LEU 94 N 7.74 0.00 -7.90 0.00 3.38 -1.10 -3.47 115.31 113.95 1rqs h LEU 94 Ca -0.39 -0.65 -0.12 0.00 0.09 0.00 0.00 57.88 56.80 1rqs h LEU 94 Cb 1.19 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1rqs h LEU 94 CO 0.88 1.24 -0.52 -0.54 0.09 0.00 0.00 178.44 179.59 1rqs s LYS 95 N -2.28 0.60 -0.06 1.13 1.02 -0.70 -5.01 119.74 114.45 1rqs s LYS 95 Ca -0.23 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1rqs s LYS 95 Cb 0.02 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 1rqs s LYS 95 CO 0.59 -0.15 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.63 1rqs s GLU 96 N -2.69 0.78 -0.78 1.68 2.02 -1.26 -1.32 118.70 117.13 1rqs s GLU 96 Ca -0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1rqs s GLU 96 Cb -0.01 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 1rqs s GLU 96 CO -0.05 -0.16 0.66 0.41 0.02 0.00 0.00 175.26 176.14 1rqs n GLY 97 N 4.43 -0.21 3.72 -1.39 0.00 -0.87 -4.97 105.19 105.89 1rqs n GLY 97 Ca -0.19 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.25 3.87 0.48 1.61 -7.23 0.46 -4.71 120.40 111.63 1rqs s VAL 98 Ca 0.09 -1.68 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 1rqs s VAL 98 Cb -0.01 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 1rqs s VAL 98 CO 0.49 -0.35 1.41 -0.94 -0.31 0.00 0.00 175.10 175.41 1rqs s SER 99 N -3.69 5.70 0.22 4.85 1.04 -1.26 -1.12 113.70 119.43 1rqs s SER 99 Ca 0.32 2.89 -0.09 0.00 0.48 0.00 0.00 55.95 59.55 1rqs s SER 99 Cb -0.07 -2.65 0.20 0.00 0.10 0.00 0.00 66.02 63.60 1rqs s SER 99 CO 0.22 -1.29 1.87 0.50 0.98 0.00 0.00 173.24 175.51 1rqs h LYS 100 N 2.08 0.97 -0.98 4.02 3.11 -1.93 0.14 116.57 123.98 1rqs h LYS 100 Ca -0.51 -0.06 0.07 0.00 -2.81 0.00 0.00 60.65 57.34 1rqs h LYS 100 Cb 1.28 -0.22 -0.07 0.00 -1.00 0.00 0.00 32.23 32.22 1rqs h LYS 100 CO 0.60 0.64 0.63 -0.44 -2.81 0.00 0.00 179.45 178.06 1rqs h ASP 101 N 0.99 0.99 0.56 4.20 3.32 -2.00 0.13 116.42 124.62 1rqs h ASP 101 Ca 0.30 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.18 1rqs h ASP 101 Cb -0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1rqs h ASP 101 CO -0.10 0.63 -0.83 0.44 -1.72 0.00 0.00 179.24 177.67 1rqs h ASP 102 N 1.13 0.25 -0.06 6.45 5.19 -1.68 -1.92 116.42 125.78 1rqs h ASP 102 Ca 0.42 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1rqs h ASP 102 Cb 0.18 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1rqs h ASP 102 CO -0.18 0.97 0.02 0.00 -3.12 0.00 0.00 179.24 176.93 1rqs h ALA 103 N 1.02 0.08 -0.23 3.45 0.00 0.12 -0.57 119.26 123.12 1rqs h ALA 103 Ca -0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 103 Cb 1.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1rqs h ALA 103 CO 0.13 -0.34 -0.44 0.93 0.00 0.00 0.00 179.25 179.53 1rqs h GLU 104 N -0.06 0.57 -0.12 0.00 5.08 -0.86 -0.08 114.58 119.12 1rqs h GLU 104 Ca 0.02 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1rqs h GLU 104 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1rqs h GLU 104 CO -0.00 0.90 0.06 0.00 -1.00 0.00 0.00 179.01 178.97 1rqs h ALA 105 N 1.05 0.15 0.58 3.43 0.00 -1.17 0.13 119.26 123.43 1rqs h ALA 105 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rqs h ALA 105 Cb 0.96 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1rqs h ALA 105 CO 0.09 -0.30 -0.28 1.25 0.00 0.00 0.00 179.25 180.01 1rqs h LEU 106 N 0.09 -0.65 -0.85 0.00 7.12 -1.01 -2.67 115.31 117.32 1rqs h LEU 106 Ca 0.04 -0.03 0.20 0.00 0.13 0.00 0.00 57.88 58.22 1rqs h LEU 106 Cb 0.09 0.17 -0.16 0.00 -0.53 0.00 0.00 40.66 40.23 1rqs h LEU 106 CO -0.01 -0.28 -0.06 0.50 -0.13 0.00 0.00 178.44 178.47 1rqs h LYS 107 N -1.10 0.05 -0.90 1.25 3.64 -1.00 0.48 116.57 118.99 1rqs h LYS 107 Ca -0.08 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1rqs h LYS 107 Cb 0.65 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 1rqs h LYS 107 CO 0.13 0.03 0.55 0.87 -2.27 0.00 0.00 179.45 178.76 1rqs h LYS 108 N 0.05 0.93 -0.32 1.90 1.79 -0.63 0.40 116.57 120.68 1rqs h LYS 108 Ca 0.46 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1rqs h LYS 108 Cb 0.83 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1rqs h LYS 108 CO -0.80 0.61 0.10 0.00 -1.08 0.00 0.00 179.45 178.28 1rqs h ALA 109 N 1.45 0.43 -0.70 3.86 0.00 0.27 0.16 119.26 124.73 1rqs h ALA 109 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1rqs h ALA 109 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rqs h ALA 109 CO -0.21 0.07 0.18 -0.07 0.00 0.00 0.00 179.25 179.22 1rqs h LEU 110 N 0.37 1.05 -0.30 0.00 4.07 -0.26 -2.35 115.31 117.88 1rqs h LEU 110 Ca 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1rqs h LEU 110 Cb 0.26 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1rqs h LEU 110 CO -0.00 1.00 0.15 -0.33 -1.08 0.00 0.00 178.44 178.17 1rqs h GLU 111 N 1.05 0.43 -0.63 1.13 5.08 0.21 -0.04 114.58 121.81 1rqs h GLU 111 Ca 0.22 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1rqs h GLU 111 Cb 0.36 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1rqs h GLU 111 CO 0.00 0.41 0.43 0.93 -1.00 0.00 0.00 179.01 179.77 1rqs h GLU 112 N 0.36 0.34 0.00 2.33 5.08 -0.40 0.27 114.58 122.56 1rqs h GLU 112 Ca 0.10 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1rqs h GLU 112 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1rqs h GLU 112 CO -0.01 0.22 -0.32 0.00 -1.00 0.00 0.00 179.01 177.90 1rqs h ALA 113 N 1.69 0.82 -0.65 3.43 0.00 -0.82 -3.48 119.26 120.26 1rqs h ALA 113 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rqs h ALA 113 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rqs h ALA 113 CO -0.08 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1rqs n GLY 114 N 1.17 0.81 3.18 0.00 0.00 0.96 -4.72 105.19 106.60 1rqs n GLY 114 Ca 0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.06 1.29 -0.25 4.61 0.00 -0.56 -4.15 121.76 120.65 1rqs s ALA 115 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1rqs s ALA 115 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1rqs s ALA 115 CO 0.00 0.22 0.73 -2.00 0.00 0.00 0.00 175.76 174.71 1rqs s GLU 116 N -1.52 4.15 0.28 0.00 2.12 0.11 -4.25 118.70 119.59 1rqs s GLU 116 Ca 0.01 0.75 0.10 0.00 0.36 0.00 0.00 54.97 56.18 1rqs s GLU 116 Cb -0.09 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 1rqs s GLU 116 CO 0.02 -0.46 -0.03 0.08 -0.54 0.00 0.00 175.26 174.34 1rqs s VAL 117 N 2.66 3.18 -0.03 3.70 1.01 -1.26 -1.84 120.40 127.81 1rqs s VAL 117 Ca 0.30 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 60.31 1rqs s VAL 117 Cb -0.15 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1rqs s VAL 117 CO 0.08 -0.35 -0.06 -0.70 0.00 0.00 0.00 175.10 174.07 1rqs s GLU 118 N -3.66 0.81 -0.23 2.72 2.12 0.03 -4.84 118.70 115.65 1rqs s GLU 118 Ca 0.32 -0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.43 1rqs s GLU 118 Cb -0.05 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.55 1rqs s GLU 118 CO 0.19 0.01 -0.04 0.08 -0.54 0.00 0.00 175.26 174.96 1rqs s VAL 119 N 0.53 3.31 0.00 3.70 1.01 -1.26 -0.69 120.40 127.00 1rqs s VAL 119 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1rqs s VAL 119 Cb -0.11 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1rqs s VAL 119 CO 0.00 0.35 0.19 1.17 0.00 0.00 0.00 175.10 176.81