#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 3.48 0.75 0.00 0.00 -1.26 -5.05 121.76 119.68 1rqs s ALA 48 Ca 0.00 -2.31 -0.11 0.00 0.00 0.00 0.00 51.96 49.54 1rqs s ALA 48 Cb 0.00 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1rqs s ALA 48 CO 0.00 -2.26 1.08 -1.21 0.00 0.00 0.00 175.76 173.37 1rqs s GLU 49 N 2.39 2.48 -0.06 0.00 2.02 -1.26 -5.06 118.70 119.21 1rqs s GLU 49 Ca 0.09 0.90 0.06 0.00 0.02 0.00 0.00 54.97 56.04 1rqs s GLU 49 Cb -0.26 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 1rqs s GLU 49 CO 0.05 -1.41 -0.24 -1.21 0.02 0.00 0.00 175.26 172.47 1rqs s GLU 50 N -5.04 2.48 -0.60 1.61 2.02 -1.26 -5.06 118.70 112.84 1rqs s GLU 50 Ca 0.60 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.77 1rqs s GLU 50 Cb -0.15 -2.10 0.22 0.00 0.10 0.00 0.00 34.13 32.20 1rqs s GLU 50 CO 0.55 0.37 0.59 1.17 0.02 0.00 0.00 175.26 177.96 1rqs n LYS 51 N 2.97 1.78 -1.62 1.61 4.81 -1.26 -4.82 118.16 121.63 1rqs n LYS 51 Ca -0.17 -4.23 0.03 0.00 -0.87 0.00 0.00 58.31 53.06 1rqs n LYS 51 Cb 0.52 -2.04 0.05 0.00 0.02 0.00 0.00 35.03 33.58 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1rqs n THR 52 N 1.50 0.57 -3.75 3.15 -2.24 -1.26 -4.83 114.28 107.42 1rqs n THR 52 Ca 0.25 -1.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.05 1rqs n THR 52 Cb 0.42 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.14 1.72 0.04 -0.78 2.02 -1.26 -3.84 118.70 115.46 1rqs s GLU 53 Ca 0.34 -2.58 0.06 0.00 0.02 0.00 0.00 54.97 52.81 1rqs s GLU 53 Cb 0.38 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 1rqs s GLU 53 CO -0.13 -1.24 -0.14 -0.06 0.02 0.00 0.00 175.26 173.71 1rqs s PHE 54 N -0.43 2.67 -0.09 1.61 0.40 -0.82 -4.78 117.98 116.54 1rqs s PHE 54 Ca 0.23 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1rqs s PHE 54 Cb -0.12 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1rqs s PHE 54 CO -0.10 0.31 -0.01 -0.51 0.70 0.00 0.00 175.22 175.61 1rqs s ASP 55 N -1.53 5.08 -0.32 1.36 1.01 -0.97 -0.22 116.67 121.08 1rqs s ASP 55 Ca 0.16 0.08 -0.06 0.00 0.71 0.00 0.00 52.55 53.44 1rqs s ASP 55 Cb -0.11 -1.47 0.03 0.00 1.01 0.00 0.00 42.92 42.39 1rqs s ASP 55 CO 0.07 0.34 0.07 -0.69 0.21 0.00 0.00 175.17 175.18 1rqs s VAL 56 N -0.68 3.66 0.01 -1.27 1.01 -0.25 -0.87 120.40 122.03 1rqs s VAL 56 Ca 0.11 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1rqs s VAL 56 Cb -0.12 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1rqs s VAL 56 CO 0.02 -0.07 0.01 -0.63 0.00 0.00 0.00 175.10 174.43 1rqs s ILE 57 N 1.40 4.23 -0.34 2.22 1.09 0.07 -0.55 121.20 129.33 1rqs s ILE 57 Ca -0.01 -0.63 -0.11 0.00 -1.10 0.00 0.00 60.65 58.79 1rqs s ILE 57 Cb -0.19 -2.92 -0.00 0.00 -1.06 0.00 0.00 42.46 38.29 1rqs s ILE 57 CO 0.02 0.33 0.20 -0.22 -0.10 0.00 0.00 174.94 175.17 1rqs s LEU 58 N -1.72 4.42 -0.17 2.97 2.96 0.97 -1.06 118.68 127.06 1rqs s LEU 58 Ca 0.21 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 1rqs s LEU 58 Cb -0.12 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.43 1rqs s LEU 58 CO 0.12 -0.26 -0.09 0.29 -1.32 0.00 0.00 176.35 175.10 1rqs n LYS 59 N 5.04 0.50 -3.89 1.98 4.76 -0.97 -1.57 118.16 124.01 1rqs n LYS 59 Ca -0.13 0.50 -0.19 0.00 -2.87 0.00 0.00 58.31 55.62 1rqs n LYS 59 Cb 0.49 -1.67 -0.17 0.00 -1.84 0.00 0.00 35.03 31.83 1rqs n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rqs s ALA 60 N -2.62 0.43 0.39 7.82 0.00 -1.05 -4.45 121.76 122.28 1rqs s ALA 60 Ca -0.22 0.08 0.19 0.00 0.00 0.00 0.00 51.96 52.01 1rqs s ALA 60 Cb 0.04 -0.47 1.04 0.00 0.00 0.00 0.00 23.12 23.74 1rqs s ALA 60 CO 0.37 -0.21 1.95 0.00 0.00 0.00 0.00 175.76 177.86 1rqs h ALA 61 N 7.65 1.39 -0.01 0.00 0.00 -1.91 0.22 119.26 126.59 1rqs h ALA 61 Ca -0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rqs h ALA 61 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqs h ALA 61 CO 0.38 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1rqs n GLY 62 N -0.62 -1.65 1.81 0.00 0.00 -1.26 -3.94 105.19 99.54 1rqs n GLY 62 Ca -0.02 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 1.46 4.82 -2.84 4.61 0.00 -1.26 -4.04 120.51 123.27 1rqs n ALA 63 Ca 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 53.44 51.78 1rqs n ALA 63 Cb 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 0.23 -1.35 0.12 0.00 4.05 -1.25 -4.96 115.26 112.10 1rqs n ASN 64 Ca 0.29 -3.36 0.02 0.00 0.45 0.00 0.00 54.58 51.98 1rqs n ASN 64 Cb 0.68 1.10 0.37 0.00 1.23 0.00 0.00 39.78 43.16 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 2.89 0.22 0.12 1.20 3.64 -1.77 -2.44 116.57 120.44 1rqs h LYS 65 Ca -0.07 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1rqs h LYS 65 Cb 1.09 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1rqs h LYS 65 CO 0.22 0.41 -0.19 0.28 -2.27 0.00 0.00 179.45 177.89 1rqs h VAL 66 N 0.20 0.56 -0.44 2.00 2.07 -1.94 0.83 116.25 119.53 1rqs h VAL 66 Ca 0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1rqs h VAL 66 Cb 0.46 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1rqs h VAL 66 CO 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 1rqs h ALA 67 N 0.42 1.06 0.72 1.67 0.00 -1.93 -2.67 119.26 118.54 1rqs h ALA 67 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1rqs h ALA 67 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rqs h ALA 67 CO -0.09 0.58 -0.43 0.28 0.00 0.00 0.00 179.25 179.59 1rqs h VAL 68 N 0.70 0.00 -1.07 0.00 2.07 -0.92 0.54 116.25 117.58 1rqs h VAL 68 Ca 0.13 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.94 1rqs h VAL 68 Cb 0.52 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 1rqs h VAL 68 CO 0.03 0.00 0.68 0.40 0.02 0.00 0.00 177.57 178.70 1rqs h ILE 69 N -1.07 0.46 0.17 4.57 2.04 -0.77 0.48 117.51 123.38 1rqs h ILE 69 Ca -0.10 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1rqs h ILE 69 Cb 0.85 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1rqs h ILE 69 CO 0.11 0.07 -0.08 0.11 0.00 0.00 0.00 178.15 178.36 1rqs h LYS 70 N 0.37 -0.21 -0.66 2.37 1.57 -1.06 -1.41 116.57 117.54 1rqs h LYS 70 Ca 0.64 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.51 1rqs h LYS 70 Cb 1.63 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.92 1rqs h LYS 70 CO -0.35 0.06 0.32 0.00 -0.57 0.00 0.00 179.45 178.91 1rqs h ALA 71 N 0.30 0.88 -1.32 3.86 0.00 0.21 0.33 119.26 123.51 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 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rqs h ALA 71 CO 0.04 -0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.51 1rqs n VAL 72 N -4.87 0.00 -0.27 0.00 0.31 0.79 -0.10 118.33 114.19 1rqs n VAL 72 Ca 0.09 1.28 0.31 0.00 -0.01 0.00 0.00 64.34 66.01 1rqs n VAL 72 Cb 0.23 -2.26 0.70 0.00 -0.91 0.00 0.00 33.84 31.60 1rqs n VAL 72 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1rqs h ARG 73 N 0.00 0.07 -0.08 5.55 0.11 -1.24 0.72 114.38 119.51 1rqs h ARG 73 Ca 0.00 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 1rqs h ARG 73 Cb 0.00 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1rqs h ARG 73 CO 0.00 0.05 -0.59 0.78 0.10 0.00 0.00 179.97 180.31 1rqs h GLY 74 N 0.07 0.28 1.37 0.08 0.00 -0.07 0.99 103.07 105.79 1rqs h GLY 74 Ca 0.52 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1rqs h GLY 74 CO -0.05 0.30 -0.71 0.00 0.00 0.00 0.00 176.54 176.08 1rqs h ALA 75 N 1.19 0.68 -1.34 3.60 0.00 0.39 -3.43 119.26 120.36 1rqs h ALA 75 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rqs h ALA 75 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 75 CO 0.09 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.74 1rqs n THR 76 N -2.87 0.00 0.00 0.00 -2.24 0.17 -5.07 114.28 104.27 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 0.59 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 3.45 1.98 3.78 3.38 0.00 0.34 -5.02 105.19 113.10 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 0.51 0.99 1.43 -1.26 -4.96 118.68 118.80 1rqs s LEU 78 Ca 0.00 1.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.85 1rqs s LEU 78 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 1rqs s LEU 78 CO 0.00 -1.54 1.01 0.61 0.23 0.00 0.00 176.35 176.66 1rqs n GLY 79 N -0.63 -0.18 0.34 -3.19 0.00 -1.26 -4.59 105.19 95.68 1rqs n GLY 79 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 1.09 -0.75 0.56 0.99 6.46 -1.99 0.21 115.31 121.89 1rqs h LEU 80 Ca -0.47 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1rqs h LEU 80 Cb 1.34 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 1rqs h LEU 80 CO 0.54 -0.31 -0.30 0.50 -0.62 0.00 0.00 178.44 178.25 1rqs h LYS 81 N 0.01 -0.77 -0.98 1.25 3.64 -1.99 -0.61 116.57 117.12 1rqs h LYS 81 Ca 0.48 0.05 0.26 0.00 -1.27 0.00 0.00 60.65 60.17 1rqs h LYS 81 Cb 0.81 0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 32.63 1rqs h LYS 81 CO -0.94 -0.51 -0.01 0.93 -2.27 0.00 0.00 179.45 176.65 1rqs h GLU 82 N -0.80 0.01 -0.31 1.90 5.08 -1.34 0.90 114.58 120.02 1rqs h GLU 82 Ca -0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1rqs h GLU 82 Cb 0.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1rqs h GLU 82 CO 0.11 0.01 0.17 0.00 -1.00 0.00 0.00 179.01 178.29 1rqs h ALA 83 N 1.98 0.40 0.23 3.43 0.00 -0.43 0.15 119.26 125.02 1rqs h ALA 83 Ca 0.57 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1rqs h ALA 83 Cb 1.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1rqs h ALA 83 CO -0.93 -0.07 -0.30 -0.22 0.00 0.00 0.00 179.25 177.73 1rqs h LYS 84 N 0.38 -0.57 -0.42 0.00 3.64 0.23 -1.16 116.57 118.68 1rqs h LYS 84 Ca 0.11 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1rqs h LYS 84 Cb 0.07 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1rqs h LYS 84 CO -0.02 -0.38 0.13 -0.44 -2.27 0.00 0.00 179.45 176.47 1rqs h ASP 85 N -0.59 0.11 -0.21 4.20 3.32 -0.62 0.67 116.42 123.30 1rqs h ASP 85 Ca 0.00 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1rqs h ASP 85 Cb 0.57 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1rqs h ASP 85 CO -0.11 0.09 -0.51 0.25 -1.72 0.00 0.00 179.24 177.24 1rqs h LEU 86 N 0.28 -1.65 -1.06 1.55 7.12 -0.19 0.47 115.31 121.84 1rqs h LEU 86 Ca 0.20 0.20 0.03 0.00 0.13 0.00 0.00 57.88 58.45 1rqs h LEU 86 Cb 0.21 0.65 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1rqs h LEU 86 CO -0.22 -0.42 0.63 0.58 -0.13 0.00 0.00 178.44 178.88 1rqs h VAL 87 N -0.48 1.17 0.00 1.05 2.07 -0.76 0.75 116.25 120.05 1rqs h VAL 87 Ca 0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1rqs h VAL 87 Cb 0.61 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1rqs h VAL 87 CO -0.46 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.03 1rqs h GLU 88 N 1.23 0.00 -0.78 1.57 4.39 0.81 -2.23 114.58 119.57 1rqs h GLU 88 Ca 0.38 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.83 1rqs h GLU 88 Cb -0.01 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.49 1rqs h GLU 88 CO -0.12 0.00 0.32 0.43 -1.16 0.00 0.00 179.01 178.48 1rqs n SER 89 N -2.61 4.74 -4.75 1.42 7.64 0.15 -4.98 113.62 115.23 1rqs n SER 89 Ca 0.01 -3.27 -0.39 0.00 1.01 0.00 0.00 58.87 56.23 1rqs n SER 89 Cb 0.26 -0.76 0.04 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.26 1.78 -1.63 -0.43 0.00 -0.84 -4.14 120.51 114.98 1rqs n ALA 90 Ca 0.43 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 1rqs n ALA 90 Cb 1.43 -2.38 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 -2.77 3.19 0.09 0.00 0.04 -1.26 -5.10 135.00 129.18 1rqs s PRO 91 Ca 0.69 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 1rqs s PRO 91 Cb -0.42 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1rqs s PRO 91 CO 0.52 -0.91 0.07 0.00 0.04 0.00 0.00 177.00 176.71 1rqs s ALA 92 N -2.74 0.39 -0.32 8.56 0.00 -0.61 -4.98 121.76 122.06 1rqs s ALA 92 Ca 0.61 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1rqs s ALA 92 Cb -0.15 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1rqs s ALA 92 CO 0.45 -0.45 0.43 0.00 0.00 0.00 0.00 175.76 176.19 1rqs s ALA 93 N -3.94 3.52 -0.10 0.00 0.00 -1.26 -0.02 121.76 119.96 1rqs s ALA 93 Ca 0.12 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 1rqs s ALA 93 Cb 0.07 -2.86 -0.28 0.00 0.00 0.00 0.00 23.12 20.05 1rqs s ALA 93 CO -0.06 -0.97 0.69 -0.07 0.00 0.00 0.00 175.76 175.34 1rqs h LEU 94 N 8.82 0.32 -7.73 0.00 3.38 -1.16 -3.48 115.31 115.46 1rqs h LEU 94 Ca -0.30 -0.88 -0.14 0.00 0.09 0.00 0.00 57.88 56.65 1rqs h LEU 94 Cb 1.14 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.58 1rqs h LEU 94 CO 0.71 1.42 -0.48 -0.54 0.09 0.00 0.00 178.44 179.64 1rqs s LYS 95 N -2.41 0.48 -0.09 1.13 1.02 -0.82 -4.99 119.74 114.07 1rqs s LYS 95 Ca -0.18 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1rqs s LYS 95 Cb 0.02 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.54 1rqs s LYS 95 CO 0.76 -0.11 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.67 1rqs s GLU 96 N -1.32 2.56 -0.54 1.68 2.02 -1.26 -1.09 118.70 120.75 1rqs s GLU 96 Ca -0.14 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 1rqs s GLU 96 Cb -0.07 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.22 1rqs s GLU 96 CO 0.02 0.11 0.65 0.41 0.02 0.00 0.00 175.26 176.47 1rqs n GLY 97 N 3.66 -0.18 3.51 -1.39 0.00 -1.06 -4.94 105.19 104.79 1rqs n GLY 97 Ca -0.20 1.03 -0.24 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.83 1.86 0.40 1.61 -7.23 0.70 -4.74 120.40 111.17 1rqs s VAL 98 Ca 0.29 -2.11 -0.27 0.00 -1.81 0.00 0.00 61.98 58.09 1rqs s VAL 98 Cb -0.03 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 1rqs s VAL 98 CO 0.88 -0.16 1.43 -1.54 -0.31 0.00 0.00 175.10 175.41 1rqs n SER 99 N -0.75 3.43 -0.22 4.85 3.41 -1.25 -1.95 113.62 121.15 1rqs n SER 99 Ca -0.05 1.18 0.02 0.00 -0.26 0.00 0.00 58.87 59.76 1rqs n SER 99 Cb 0.65 -1.59 0.13 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 2.60 0.28 -0.84 4.33 3.11 -1.88 0.65 116.57 124.83 1rqs h LYS 100 Ca -0.50 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.41 1rqs h LYS 100 Cb 1.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 32.35 1rqs h LYS 100 CO 0.62 0.19 0.49 -0.44 -2.81 0.00 0.00 179.45 177.50 1rqs h ASP 101 N 0.29 0.71 -0.06 4.20 5.19 -1.97 0.14 116.42 124.92 1rqs h ASP 101 Ca 0.35 0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.66 1rqs h ASP 101 Cb 0.53 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1rqs h ASP 101 CO -0.42 0.41 -0.41 0.44 -3.12 0.00 0.00 179.24 176.15 1rqs h ASP 102 N 0.83 0.62 -0.00 6.45 5.19 -1.32 -0.83 116.42 127.35 1rqs h ASP 102 Ca 0.40 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1rqs h ASP 102 Cb 0.34 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1rqs h ASP 102 CO -0.24 0.95 0.00 0.00 -3.12 0.00 0.00 179.24 176.84 1rqs h ALA 103 N 1.07 0.00 0.00 3.45 0.00 0.11 -1.01 119.26 122.89 1rqs h ALA 103 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1rqs h ALA 103 Cb 0.92 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1rqs h ALA 103 CO 0.08 -0.42 -0.25 1.49 0.00 0.00 0.00 179.25 180.16 1rqs h GLU 104 N -0.15 0.00 0.06 0.00 4.81 -0.74 -0.45 114.58 118.11 1rqs h GLU 104 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rqs h GLU 104 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1rqs h GLU 104 CO -0.00 0.25 -0.03 0.00 -0.73 0.00 0.00 179.01 178.50 1rqs h ALA 105 N 1.75 -0.08 -0.25 2.92 0.00 -0.74 -0.82 119.26 122.05 1rqs h ALA 105 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1rqs h ALA 105 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1rqs h ALA 105 CO 0.03 -0.31 0.05 1.25 0.00 0.00 0.00 179.25 180.27 1rqs h LEU 106 N -0.55 0.39 -0.26 0.00 7.12 -1.00 -2.48 115.31 118.53 1rqs h LEU 106 Ca -0.01 -0.24 0.05 0.00 0.13 0.00 0.00 57.88 57.81 1rqs h LEU 106 Cb 0.48 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.46 1rqs h LEU 106 CO 0.01 0.53 -0.07 0.50 -0.13 0.00 0.00 178.44 179.29 1rqs h LYS 107 N 0.23 -0.00 -0.98 1.25 3.64 -1.11 -0.14 116.57 119.45 1rqs h LYS 107 Ca 0.08 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 1rqs h LYS 107 Cb 0.30 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 1rqs h LYS 107 CO 0.00 -0.00 0.60 0.87 -2.27 0.00 0.00 179.45 178.65 1rqs h LYS 108 N -0.00 0.84 -0.49 1.90 1.79 -0.98 0.18 116.57 119.80 1rqs h LYS 108 Ca 0.13 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1rqs h LYS 108 Cb 0.19 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1rqs h LYS 108 CO -0.27 0.56 0.07 0.00 -1.08 0.00 0.00 179.45 178.73 1rqs h ALA 109 N 1.58 0.65 -0.48 3.86 0.00 -0.62 0.23 119.26 124.48 1rqs h ALA 109 Ca 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1rqs h ALA 109 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1rqs h ALA 109 CO -0.32 0.39 0.23 -0.07 0.00 0.00 0.00 179.25 179.48 1rqs h LEU 110 N 0.69 0.62 -0.68 0.00 -0.00 0.47 -2.56 115.31 113.84 1rqs h LEU 110 Ca 0.15 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1rqs h LEU 110 Cb 0.40 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1rqs h LEU 110 CO 0.01 0.57 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.58 1rqs h GLU 111 N 0.63 0.91 -0.93 1.13 5.08 -0.39 0.14 114.58 121.15 1rqs h GLU 111 Ca 0.16 -0.32 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1rqs h GLU 111 Cb 0.11 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1rqs h GLU 111 CO -0.02 0.97 0.60 0.93 -1.00 0.00 0.00 179.01 180.49 1rqs h GLU 112 N 0.81 0.98 0.05 2.33 5.08 -0.29 -1.50 114.58 122.05 1rqs h GLU 112 Ca 0.13 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 1rqs h GLU 112 Cb 0.64 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1rqs h GLU 112 CO 0.04 0.65 -1.23 0.00 -1.00 0.00 0.00 179.01 177.47 1rqs h ALA 113 N 1.52 0.34 0.00 3.43 0.00 -1.06 -3.48 119.26 120.00 1rqs h ALA 113 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1rqs h ALA 113 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rqs h ALA 113 CO -0.17 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1rqs n GLY 114 N 1.47 0.75 3.34 0.00 0.00 0.27 -4.75 105.19 106.27 1rqs n GLY 114 Ca -0.07 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.39 1.92 -0.29 4.61 0.00 0.02 -4.01 121.76 122.62 1rqs s ALA 115 Ca 0.00 -1.67 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 1rqs s ALA 115 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1rqs s ALA 115 CO 0.00 -0.03 0.27 -2.00 0.00 0.00 0.00 175.76 174.00 1rqs s GLU 116 N -3.71 3.90 0.28 0.00 2.56 0.76 -4.30 118.70 118.19 1rqs s GLU 116 Ca 0.23 -0.24 0.09 0.00 0.00 0.00 0.00 54.97 55.05 1rqs s GLU 116 Cb 0.01 -3.68 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 1rqs s GLU 116 CO 0.06 -0.27 0.05 0.08 -0.56 0.00 0.00 175.26 174.63 1rqs s VAL 117 N 1.89 3.50 -0.03 3.70 1.01 -1.26 -2.29 120.40 126.91 1rqs s VAL 117 Ca 0.10 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1rqs s VAL 117 Cb -0.16 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1rqs s VAL 117 CO 0.11 -0.33 -0.05 -0.70 0.00 0.00 0.00 175.10 174.13 1rqs s GLU 118 N -3.73 0.69 -0.21 2.72 -6.30 -0.22 -4.86 118.70 106.78 1rqs s GLU 118 Ca 0.33 -0.13 -0.05 0.00 -2.50 0.00 0.00 54.97 52.62 1rqs s GLU 118 Cb -0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 34.13 33.35 1rqs s GLU 118 CO 0.21 -0.02 -0.01 0.08 0.02 0.00 0.00 175.26 175.55 1rqs s VAL 119 N 0.60 3.84 -0.73 3.70 1.01 -1.26 -0.75 120.40 126.81 1rqs s VAL 119 Ca -0.08 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1rqs s VAL 119 Cb -0.11 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1rqs s VAL 119 CO -0.00 0.42 0.68 1.17 0.00 0.00 0.00 175.10 177.38