#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 1.88 -0.13 0.00 0.00 -1.26 -4.93 121.76 117.32 1rqs s ALA 48 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1rqs s ALA 48 Cb 0.00 -4.37 -0.03 0.00 0.00 0.00 0.00 23.12 18.72 1rqs s ALA 48 CO 0.00 -4.29 -0.01 -1.21 0.00 0.00 0.00 175.76 170.26 1rqs s GLU 49 N 7.45 3.43 -0.07 0.00 2.02 -1.26 -5.10 118.70 125.17 1rqs s GLU 49 Ca 0.76 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.36 1rqs s GLU 49 Cb -0.13 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1rqs s GLU 49 CO 0.18 0.44 -0.23 -1.21 0.02 0.00 0.00 175.26 174.47 1rqs s GLU 50 N -0.17 2.65 -0.56 1.61 2.02 -1.26 -5.05 118.70 117.95 1rqs s GLU 50 Ca 0.04 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1rqs s GLU 50 Cb -0.13 -2.23 0.29 0.00 0.10 0.00 0.00 34.13 32.16 1rqs s GLU 50 CO 0.02 0.38 0.77 1.17 0.02 0.00 0.00 175.26 177.62 1rqs n LYS 51 N 2.97 2.31 -0.27 1.61 3.00 -1.26 -4.76 118.16 121.77 1rqs n LYS 51 Ca -0.18 -4.38 0.05 0.00 -0.00 0.00 0.00 58.31 53.80 1rqs n LYS 51 Cb 0.52 -2.04 0.07 0.00 0.00 0.00 0.00 35.03 33.58 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rqs n THR 52 N 0.54 0.96 -3.64 3.15 -2.24 -1.26 -4.95 114.28 106.84 1rqs n THR 52 Ca 0.28 -1.15 -0.29 0.00 -2.27 0.00 0.00 64.05 60.62 1rqs n THR 52 Cb 0.45 0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.45 0.85 -0.02 -0.78 2.02 -1.26 -4.43 118.70 113.63 1rqs s GLU 53 Ca 0.16 -1.46 0.01 0.00 0.02 0.00 0.00 54.97 53.69 1rqs s GLU 53 Cb 0.14 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 1rqs s GLU 53 CO 0.02 -1.12 -0.00 -0.06 0.02 0.00 0.00 175.26 174.12 1rqs s PHE 54 N 1.02 3.09 -0.09 1.61 0.40 -0.32 -4.72 117.98 118.96 1rqs s PHE 54 Ca 0.15 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 1rqs s PHE 54 Cb -0.22 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1rqs s PHE 54 CO -0.09 0.46 -0.09 -0.51 0.70 0.00 0.00 175.22 175.68 1rqs s ASP 55 N -1.37 4.42 -0.29 1.36 1.01 -0.11 -0.62 116.67 121.08 1rqs s ASP 55 Ca 0.18 -0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 1rqs s ASP 55 Cb -0.11 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.58 1rqs s ASP 55 CO 0.08 0.30 0.03 -0.69 0.21 0.00 0.00 175.17 175.09 1rqs s VAL 56 N -0.41 3.40 0.06 -1.27 1.01 -0.35 -2.25 120.40 120.58 1rqs s VAL 56 Ca 0.06 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1rqs s VAL 56 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1rqs s VAL 56 CO 0.02 0.02 0.01 -0.63 0.00 0.00 0.00 175.10 174.51 1rqs s ILE 57 N 1.37 4.11 -0.26 2.22 1.01 -0.19 -0.03 121.20 129.43 1rqs s ILE 57 Ca -0.01 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1rqs s ILE 57 Cb -0.18 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1rqs s ILE 57 CO -0.00 0.22 0.10 -0.22 0.00 0.00 0.00 174.94 175.03 1rqs s LEU 58 N -2.04 3.62 -0.15 2.97 0.20 0.94 -0.40 118.68 123.81 1rqs s LEU 58 Ca 0.24 -0.25 -0.12 0.00 0.69 0.00 0.00 54.13 54.69 1rqs s LEU 58 Cb -0.12 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.64 1rqs s LEU 58 CO 0.16 -0.07 -0.17 0.29 -0.29 0.00 0.00 176.35 176.27 1rqs n LYS 59 N 4.95 0.47 -3.87 1.98 5.02 -0.92 -1.42 118.16 124.36 1rqs n LYS 59 Ca -0.16 0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 56.44 1rqs n LYS 59 Cb 0.51 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.72 0.37 0.37 7.82 0.00 -1.04 -4.47 121.76 122.10 1rqs s ALA 60 Ca -0.18 0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.14 1rqs s ALA 60 Cb 0.03 -0.43 1.25 0.00 0.00 0.00 0.00 23.12 23.97 1rqs s ALA 60 CO 0.29 -0.19 2.00 0.00 0.00 0.00 0.00 175.76 177.85 1rqs h ALA 61 N 7.60 1.29 -0.20 0.00 0.00 -1.91 0.17 119.26 126.21 1rqs h ALA 61 Ca -0.34 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.41 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 0.39 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1rqs n GLY 62 N -0.57 -0.70 1.95 0.00 0.00 -1.26 -3.74 105.19 100.88 1rqs n GLY 62 Ca -0.02 -1.14 -0.19 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 3.05 5.26 -2.78 4.61 0.00 -1.25 -4.06 120.51 125.35 1rqs n ALA 63 Ca 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 53.44 51.41 1rqs n ALA 63 Cb 0.00 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.09 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 0.11 -1.00 0.29 0.00 2.85 -1.24 -4.94 115.26 111.33 1rqs n ASN 64 Ca 0.35 -2.99 0.14 0.00 -0.11 0.00 0.00 54.58 51.98 1rqs n ASN 64 Cb 0.62 0.76 0.88 0.00 1.24 0.00 0.00 39.78 43.28 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 2.66 0.00 0.57 1.20 3.64 -1.76 -1.70 116.57 121.18 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 0.19 0.01 -0.27 0.28 -2.27 0.00 0.00 179.45 177.38 1rqs h VAL 66 N 0.00 0.00 -0.66 2.00 2.07 -1.94 0.27 116.25 118.00 1rqs h VAL 66 Ca -0.00 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1rqs h VAL 66 Cb 0.02 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.72 1rqs h VAL 66 CO 0.00 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.89 1rqs h ALA 67 N -1.46 0.89 0.48 1.67 0.00 -1.90 -0.84 119.26 118.10 1rqs h ALA 67 Ca -0.08 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rqs h ALA 67 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1rqs h ALA 67 CO 0.13 -0.11 -0.41 0.28 0.00 0.00 0.00 179.25 179.15 1rqs h VAL 68 N 0.52 0.00 -1.04 0.00 2.07 -1.30 0.19 116.25 116.69 1rqs h VAL 68 Ca 0.33 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.11 1rqs h VAL 68 Cb 0.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1rqs h VAL 68 CO -0.28 0.00 0.67 0.40 0.02 0.00 0.00 177.57 178.38 1rqs h ILE 69 N -0.87 0.52 0.18 4.57 1.08 -0.50 0.32 117.51 122.81 1rqs h ILE 69 Ca -0.06 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1rqs h ILE 69 Cb 0.73 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1rqs h ILE 69 CO -0.01 0.07 -0.09 0.11 -0.69 0.00 0.00 178.15 177.55 1rqs h LYS 70 N 0.39 -0.23 -0.67 2.37 1.57 -0.26 -0.47 116.57 119.28 1rqs h LYS 70 Ca 0.60 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.47 1rqs h LYS 70 Cb 1.51 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.81 1rqs h LYS 70 CO -0.30 0.05 0.33 0.00 -0.57 0.00 0.00 179.45 178.96 1rqs h ALA 71 N 0.24 0.90 -0.40 3.86 0.00 0.25 0.51 119.26 124.62 1rqs h ALA 71 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rqs h ALA 71 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rqs h ALA 71 CO 0.04 -0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.52 1rqs n VAL 72 N -4.86 0.00 -0.30 0.00 0.31 0.49 -0.41 118.33 113.56 1rqs n VAL 72 Ca 0.09 1.43 0.30 0.00 -0.01 0.00 0.00 64.34 66.15 1rqs n VAL 72 Cb 0.24 -2.42 0.66 0.00 -0.91 0.00 0.00 33.84 31.40 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 0.14 -0.06 5.55 2.43 -0.97 0.70 114.38 122.18 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 0.09 -0.62 0.78 -1.51 0.00 0.00 179.97 178.71 1rqs h GLY 74 N 0.15 0.22 1.32 2.80 0.00 0.30 0.71 103.07 108.57 1rqs h GLY 74 Ca 0.56 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1rqs h GLY 74 CO -0.12 0.25 -0.84 0.00 0.00 0.00 0.00 176.54 175.83 1rqs h ALA 75 N 1.21 0.65 -1.61 3.60 0.00 0.31 -3.43 119.26 120.00 1rqs h ALA 75 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 75 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rqs h ALA 75 CO 0.09 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.90 1rqs n THR 76 N -2.88 0.00 0.00 0.00 -2.24 0.41 -5.07 114.28 104.50 1rqs n THR 76 Ca -0.01 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rqs n THR 76 Cb 0.64 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 3.59 1.87 3.77 3.38 0.00 0.25 -5.01 105.19 113.03 1rqs n GLY 77 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.45 0.47 0.99 1.43 -1.26 -4.95 118.68 118.81 1rqs s LEU 78 Ca 0.00 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.94 1rqs s LEU 78 Cb 0.00 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.61 1.03 0.61 0.23 0.00 0.00 176.35 176.60 1rqs n GLY 79 N -0.30 -0.15 0.34 -3.19 0.00 -1.26 -4.58 105.19 96.04 1rqs n GLY 79 Ca 0.11 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 1.34 -0.67 0.42 0.99 5.85 -1.99 0.15 115.31 121.41 1rqs h LEU 80 Ca -0.46 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1rqs h LEU 80 Cb 1.34 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1rqs h LEU 80 CO 0.56 -0.33 -0.22 0.50 -0.34 0.00 0.00 178.44 178.61 1rqs h LYS 81 N 0.01 -0.56 -0.98 1.25 3.64 -1.99 0.27 116.57 118.21 1rqs h LYS 81 Ca 0.52 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 60.19 1rqs h LYS 81 Cb 0.95 0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 32.72 1rqs h LYS 81 CO -0.94 -0.38 -0.04 0.93 -2.27 0.00 0.00 179.45 176.76 1rqs h GLU 82 N -0.58 0.01 -0.24 1.90 3.07 -1.38 0.99 114.58 118.36 1rqs h GLU 82 Ca -0.06 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1rqs h GLU 82 Cb 0.45 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1rqs h GLU 82 CO 0.08 0.01 0.12 0.00 -1.40 0.00 0.00 179.01 177.82 1rqs h ALA 83 N 1.97 0.31 0.22 3.43 0.00 -0.60 0.11 119.26 124.71 1rqs h ALA 83 Ca 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1rqs h ALA 83 Cb 1.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1rqs h ALA 83 CO -0.93 -0.14 -0.31 -0.22 0.00 0.00 0.00 179.25 177.64 1rqs h LYS 84 N 0.26 -0.58 -0.34 0.00 3.64 0.30 -1.06 116.57 118.80 1rqs h LYS 84 Ca 0.08 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1rqs h LYS 84 Cb 0.10 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1rqs h LYS 84 CO -0.01 -0.38 0.04 -0.44 -2.27 0.00 0.00 179.45 176.38 1rqs h ASP 85 N -0.60 -0.06 -0.13 4.20 5.19 -0.38 0.17 116.42 124.81 1rqs h ASP 85 Ca 0.01 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1rqs h ASP 85 Cb 0.58 0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 1rqs h ASP 85 CO -0.12 0.01 -0.53 0.25 -3.12 0.00 0.00 179.24 175.73 1rqs h LEU 86 N 0.14 -1.67 -1.11 1.55 5.85 -0.35 0.45 115.31 120.17 1rqs h LEU 86 Ca 0.16 0.20 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1rqs h LEU 86 Cb 0.20 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1rqs h LEU 86 CO -0.24 -0.48 0.60 0.58 -0.34 0.00 0.00 178.44 178.56 1rqs h VAL 87 N -0.58 1.17 0.00 1.05 2.07 -0.71 0.11 116.25 119.36 1rqs h VAL 87 Ca 0.04 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1rqs h VAL 87 Cb 0.68 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1rqs h VAL 87 CO -0.43 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 176.75 1rqs n GLU 88 N -4.44 0.20 -0.71 1.57 -0.58 0.54 -1.89 120.64 115.33 1rqs n GLU 88 Ca 0.12 0.40 0.05 0.00 -0.42 0.00 0.00 57.16 57.31 1rqs n GLU 88 Cb 0.09 -1.86 0.31 0.00 -0.57 0.00 0.00 31.44 29.42 1rqs n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rqs n SER 89 N -2.22 4.59 -4.50 1.62 7.64 0.14 -5.02 113.62 115.87 1rqs n SER 89 Ca 0.02 -3.07 -0.38 0.00 1.01 0.00 0.00 58.87 56.46 1rqs n SER 89 Cb 0.24 -0.63 0.04 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.11 -0.85 -1.60 -0.43 0.00 -0.79 -4.44 120.51 112.29 1rqs n ALA 90 Ca 0.27 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 1rqs n ALA 90 Cb 1.08 -1.89 0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.21 3.05 0.07 0.00 0.04 -1.26 -5.10 135.00 129.59 1rqs s PRO 91 Ca 0.70 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1rqs s PRO 91 Cb -0.45 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1rqs s PRO 91 CO 0.53 -1.01 -0.05 0.00 0.04 0.00 0.00 177.00 176.51 1rqs s ALA 92 N -2.91 0.70 -0.32 8.56 0.00 -0.51 -4.97 121.76 122.31 1rqs s ALA 92 Ca 0.59 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1rqs s ALA 92 Cb -0.14 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1rqs s ALA 92 CO 0.51 -0.27 0.46 0.00 0.00 0.00 0.00 175.76 176.46 1rqs s ALA 93 N -3.42 3.51 -0.12 0.00 0.00 -1.26 -0.04 121.76 120.44 1rqs s ALA 93 Ca 0.06 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 1rqs s ALA 93 Cb 0.04 -2.91 -0.27 0.00 0.00 0.00 0.00 23.12 19.98 1rqs s ALA 93 CO -0.06 -1.02 0.70 -0.07 0.00 0.00 0.00 175.76 175.31 1rqs h LEU 94 N 8.90 0.20 -7.79 0.00 3.38 -0.79 -3.48 115.31 115.73 1rqs h LEU 94 Ca -0.29 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 56.64 1rqs h LEU 94 Cb 1.14 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 1rqs h LEU 94 CO 0.73 1.27 -0.50 -0.54 0.09 0.00 0.00 178.44 179.49 1rqs s LYS 95 N -2.34 0.52 -0.07 1.13 1.02 -0.83 -4.98 119.74 114.19 1rqs s LYS 95 Ca -0.19 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1rqs s LYS 95 Cb 0.00 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1rqs s LYS 95 CO 0.73 -0.13 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.78 1rqs s GLU 96 N -1.75 0.98 -1.07 1.68 2.02 -1.26 -1.21 118.70 118.08 1rqs s GLU 96 Ca -0.12 -0.10 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 1rqs s GLU 96 Cb -0.06 -1.08 -0.06 0.00 0.10 0.00 0.00 34.13 33.03 1rqs s GLU 96 CO -0.00 -0.18 0.93 0.41 0.02 0.00 0.00 175.26 176.44 1rqs n GLY 97 N 4.54 -1.02 3.59 -1.39 0.00 -1.03 -4.97 105.19 104.91 1rqs n GLY 97 Ca -0.17 0.50 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.38 2.60 0.51 1.61 -7.23 0.21 -4.73 120.40 109.99 1rqs s VAL 98 Ca 0.38 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 1rqs s VAL 98 Cb -0.05 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 1rqs s VAL 98 CO 0.74 -0.25 1.37 -0.94 -0.31 0.00 0.00 175.10 175.71 1rqs s SER 99 N -3.66 5.54 0.25 4.85 1.04 -1.26 -1.18 113.70 119.28 1rqs s SER 99 Ca 0.33 2.79 -0.05 0.00 0.48 0.00 0.00 55.95 59.50 1rqs s SER 99 Cb -0.01 -2.64 0.33 0.00 0.10 0.00 0.00 66.02 63.80 1rqs s SER 99 CO 0.18 -1.39 1.89 0.50 0.98 0.00 0.00 173.24 175.40 1rqs h LYS 100 N 1.80 1.14 -0.99 4.02 3.64 -1.92 -0.85 116.57 123.41 1rqs h LYS 100 Ca -0.51 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 58.88 1rqs h LYS 100 Cb 1.28 -0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1rqs h LYS 100 CO 0.59 0.75 0.63 -0.44 -2.27 0.00 0.00 179.45 178.71 1rqs h ASP 101 N 1.17 0.98 0.17 4.20 5.19 -1.99 0.17 116.42 126.32 1rqs h ASP 101 Ca 0.39 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.65 1rqs h ASP 101 Cb 0.06 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1rqs h ASP 101 CO -0.14 0.60 -0.65 0.44 -3.12 0.00 0.00 179.24 176.37 1rqs h ASP 102 N 1.10 0.52 -0.02 6.45 3.32 -1.57 -1.46 116.42 124.77 1rqs h ASP 102 Ca 0.44 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1rqs h ASP 102 Cb 0.26 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1rqs h ASP 102 CO -0.20 1.03 0.01 0.00 -1.72 0.00 0.00 179.24 178.36 1rqs h ALA 103 N 0.96 0.03 0.00 3.45 0.00 0.15 -2.44 119.26 121.42 1rqs h ALA 103 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1rqs h ALA 103 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1rqs h ALA 103 CO 0.11 -0.35 -0.23 1.49 0.00 0.00 0.00 179.25 180.28 1rqs h GLU 104 N -0.19 0.00 0.21 0.00 4.81 -0.70 -0.91 114.58 117.80 1rqs h GLU 104 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1rqs h GLU 104 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1rqs h GLU 104 CO 0.00 0.23 -0.10 0.00 -0.73 0.00 0.00 179.01 178.41 1rqs h ALA 105 N 1.77 -0.28 -0.47 2.92 0.00 -1.00 -0.61 119.26 121.60 1rqs h ALA 105 Ca -0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1rqs h ALA 105 Cb 0.65 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rqs h ALA 105 CO 0.03 -0.46 -0.25 1.25 0.00 0.00 0.00 179.25 179.82 1rqs h LEU 106 N -0.68 1.02 -0.26 0.00 5.85 -1.36 -2.71 115.31 117.17 1rqs h LEU 106 Ca -0.03 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1rqs h LEU 106 Cb 0.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1rqs h LEU 106 CO 0.05 1.20 -0.03 0.50 -0.34 0.00 0.00 178.44 179.82 1rqs h LYS 107 N 0.84 0.04 -0.99 1.25 3.11 -1.16 0.87 116.57 120.54 1rqs h LYS 107 Ca 0.10 -0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.06 1rqs h LYS 107 Cb 0.83 -0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.96 1rqs h LYS 107 CO 0.07 0.03 0.62 0.87 -2.81 0.00 0.00 179.45 178.23 1rqs h LYS 108 N 0.04 0.93 -0.63 1.90 1.57 -0.96 0.89 116.57 120.30 1rqs h LYS 108 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1rqs h LYS 108 Cb 0.17 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1rqs h LYS 108 CO -0.23 0.61 0.09 0.00 -0.57 0.00 0.00 179.45 179.35 1rqs h ALA 109 N 1.54 0.84 -0.38 3.86 0.00 -0.71 0.18 119.26 124.59 1rqs h ALA 109 Ca 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1rqs h ALA 109 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rqs h ALA 109 CO -0.28 0.62 0.19 -0.07 0.00 0.00 0.00 179.25 179.71 1rqs h LEU 110 N 0.97 0.50 -0.70 0.00 -0.00 0.90 -2.48 115.31 114.50 1rqs h LEU 110 Ca 0.19 -0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 1rqs h LEU 110 Cb 0.45 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1rqs h LEU 110 CO 0.01 0.47 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.53 1rqs h GLU 111 N 0.49 0.95 -0.77 1.13 5.08 -0.49 0.23 114.58 121.19 1rqs h GLU 111 Ca 0.13 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1rqs h GLU 111 Cb 0.10 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1rqs h GLU 111 CO -0.02 0.97 0.51 0.93 -1.00 0.00 0.00 179.01 180.40 1rqs h GLU 112 N 0.86 0.76 0.06 2.33 5.08 -0.41 -1.47 114.58 121.79 1rqs h GLU 112 Ca 0.15 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.19 1rqs h GLU 112 Cb 0.59 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1rqs h GLU 112 CO 0.04 0.50 -1.38 0.00 -1.00 0.00 0.00 179.01 177.17 1rqs h ALA 113 N 1.59 0.37 0.00 3.43 0.00 -0.97 -3.49 119.26 120.19 1rqs h ALA 113 Ca 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1rqs h ALA 113 Cb 0.32 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rqs h ALA 113 CO -0.12 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1rqs n GLY 114 N 1.54 0.75 3.31 0.00 0.00 0.65 -4.74 105.19 106.70 1rqs n GLY 114 Ca -0.11 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.38 1.81 -0.29 4.61 0.00 -0.19 -3.92 121.76 122.40 1rqs s ALA 115 Ca 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1rqs s ALA 115 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1rqs s ALA 115 CO 0.00 0.01 0.29 -2.00 0.00 0.00 0.00 175.76 174.06 1rqs s GLU 116 N -3.67 3.91 0.37 0.00 2.12 0.60 -4.32 118.70 117.70 1rqs s GLU 116 Ca 0.20 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.41 1rqs s GLU 116 Cb 0.00 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1rqs s GLU 116 CO 0.05 -0.27 0.20 0.08 -0.54 0.00 0.00 175.26 174.77 1rqs s VAL 117 N 1.91 2.87 -0.05 3.70 1.01 -1.26 -2.18 120.40 126.41 1rqs s VAL 117 Ca 0.11 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1rqs s VAL 117 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1rqs s VAL 117 CO 0.11 -0.12 -0.06 -0.70 0.00 0.00 0.00 175.10 174.33 1rqs s GLU 118 N -3.91 0.95 -0.24 2.72 2.56 0.46 -4.80 118.70 116.44 1rqs s GLU 118 Ca 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 54.97 55.22 1rqs s GLU 118 Cb -0.02 -0.90 0.04 0.00 2.00 0.00 0.00 34.13 35.25 1rqs s GLU 118 CO 0.24 -0.06 -0.11 0.08 -0.56 0.00 0.00 175.26 174.85 1rqs s VAL 119 N 0.83 2.41 0.00 3.70 1.01 -1.26 -1.02 120.40 126.07 1rqs s VAL 119 Ca -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1rqs s VAL 119 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1rqs s VAL 119 CO 0.01 0.20 0.21 2.29 0.00 0.00 0.00 175.10 177.81