#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 2.88 0.86 0.00 0.00 -1.26 -5.00 121.76 119.24 1rqs s ALA 48 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1rqs s ALA 48 Cb 0.00 -4.17 0.10 0.00 0.00 0.00 0.00 23.12 19.06 1rqs s ALA 48 CO 0.00 -3.17 1.11 -1.21 0.00 0.00 0.00 175.76 172.49 1rqs s GLU 49 N 5.01 1.60 -0.37 0.00 2.02 -1.26 -4.98 118.70 120.72 1rqs s GLU 49 Ca 0.33 0.57 -0.25 0.00 0.02 0.00 0.00 54.97 55.64 1rqs s GLU 49 Cb -0.09 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.28 1rqs s GLU 49 CO 0.09 -1.95 0.88 -1.21 0.02 0.00 0.00 175.26 173.10 1rqs s GLU 50 N -5.14 3.80 -1.15 1.61 2.02 -1.26 -4.96 118.70 113.62 1rqs s GLU 50 Ca 0.62 0.47 -0.08 0.00 0.02 0.00 0.00 54.97 56.00 1rqs s GLU 50 Cb -0.15 -3.81 0.25 0.00 0.10 0.00 0.00 34.13 30.52 1rqs s GLU 50 CO 0.55 -0.93 1.44 0.36 0.02 0.00 0.00 175.26 176.70 1rqs n LYS 51 N 6.67 3.86 -0.63 1.61 2.85 -1.26 -4.64 118.16 126.63 1rqs n LYS 51 Ca 0.06 -4.22 0.06 0.00 -1.05 0.00 0.00 58.31 53.15 1rqs n LYS 51 Cb 0.48 -2.68 0.17 0.00 -0.65 0.00 0.00 35.03 32.35 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 2.63 1.87 -3.65 0.58 -2.24 -1.26 -4.92 114.28 107.28 1rqs n THR 52 Ca 0.30 -2.79 -0.29 0.00 -2.27 0.00 0.00 64.05 58.99 1rqs n THR 52 Cb 0.37 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.75 0.82 0.02 -0.78 8.01 -1.26 -4.51 118.70 118.25 1rqs s GLU 53 Ca 0.36 -1.39 0.05 0.00 0.01 0.00 0.00 54.97 54.00 1rqs s GLU 53 Cb 0.35 -1.89 -0.03 0.00 -4.31 0.00 0.00 34.13 28.25 1rqs s GLU 53 CO -0.07 -1.09 -0.12 -0.06 0.01 0.00 0.00 175.26 173.93 1rqs s PHE 54 N 1.13 2.74 0.01 1.61 0.40 -1.02 -4.79 117.98 118.06 1rqs s PHE 54 Ca 0.14 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1rqs s PHE 54 Cb -0.21 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1rqs s PHE 54 CO -0.12 0.32 -0.06 -0.51 0.70 0.00 0.00 175.22 175.54 1rqs s ASP 55 N -1.45 4.66 -0.23 1.36 1.01 0.44 -0.19 116.67 122.27 1rqs s ASP 55 Ca 0.16 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1rqs s ASP 55 Cb -0.11 -1.09 0.04 0.00 1.01 0.00 0.00 42.92 42.77 1rqs s ASP 55 CO 0.07 0.28 -0.14 -0.69 0.21 0.00 0.00 175.17 174.90 1rqs s VAL 56 N -1.01 2.21 0.03 -1.27 1.01 -0.34 -2.30 120.40 118.73 1rqs s VAL 56 Ca 0.17 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1rqs s VAL 56 Cb -0.11 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1rqs s VAL 56 CO 0.08 0.21 0.02 -0.63 0.00 0.00 0.00 175.10 174.78 1rqs s ILE 57 N 1.20 4.27 -0.35 2.22 1.09 0.14 -0.89 121.20 128.88 1rqs s ILE 57 Ca -0.03 -0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 58.73 1rqs s ILE 57 Cb -0.17 -2.96 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 1rqs s ILE 57 CO -0.08 0.29 0.24 -0.22 -0.10 0.00 0.00 174.94 175.07 1rqs s LEU 58 N -1.85 4.58 -0.17 2.97 0.20 0.88 -0.82 118.68 124.48 1rqs s LEU 58 Ca 0.23 -0.50 -0.13 0.00 0.69 0.00 0.00 54.13 54.41 1rqs s LEU 58 Cb -0.12 -2.13 -0.07 0.00 -0.43 0.00 0.00 46.19 43.44 1rqs s LEU 58 CO 0.14 -0.26 -0.13 0.29 -0.29 0.00 0.00 176.35 176.10 1rqs n LYS 59 N 5.10 0.49 -3.98 1.98 4.76 -0.97 -1.38 118.16 124.18 1rqs n LYS 59 Ca -0.12 0.49 -0.19 0.00 -2.87 0.00 0.00 58.31 55.62 1rqs n LYS 59 Cb 0.49 -1.66 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.67 0.47 0.38 7.82 0.00 -1.04 -4.48 121.76 122.23 1rqs s ALA 60 Ca -0.21 0.07 0.17 0.00 0.00 0.00 0.00 51.96 51.99 1rqs s ALA 60 Cb 0.04 -0.41 0.96 0.00 0.00 0.00 0.00 23.12 23.70 1rqs s ALA 60 CO 0.33 -0.11 1.91 0.00 0.00 0.00 0.00 175.76 177.89 1rqs h ALA 61 N 7.39 1.38 0.00 0.00 0.00 -1.90 0.18 119.26 126.30 1rqs h ALA 61 Ca -0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rqs h ALA 61 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqs h ALA 61 CO 0.44 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1rqs n GLY 62 N -0.56 -1.67 1.82 0.00 0.00 -1.26 -3.97 105.19 99.55 1rqs n GLY 62 Ca -0.02 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 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 1.41 4.88 -2.83 4.61 0.00 -1.25 -4.04 120.51 123.28 1rqs n ALA 63 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 53.44 51.80 1rqs n ALA 63 Cb 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.18 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 0.30 -1.41 0.24 0.00 2.85 -1.25 -4.95 115.26 111.03 1rqs n ASN 64 Ca 0.28 -3.39 0.07 0.00 -0.11 0.00 0.00 54.58 51.44 1rqs n ASN 64 Cb 0.65 1.15 0.57 0.00 1.24 0.00 0.00 39.78 43.38 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 2.90 0.00 -0.18 1.20 3.64 -1.77 -1.46 116.57 120.90 1rqs h LYS 65 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1rqs h LYS 65 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1rqs h LYS 65 CO 0.21 0.16 0.06 0.28 -2.27 0.00 0.00 179.45 177.89 1rqs h VAL 66 N 0.00 1.18 -0.30 2.00 2.07 -1.94 0.55 116.25 119.80 1rqs h VAL 66 Ca -0.00 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1rqs h VAL 66 Cb 0.30 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1rqs h VAL 66 CO 0.02 0.17 -0.38 0.00 0.02 0.00 0.00 177.57 177.40 1rqs h ALA 67 N 0.89 0.76 0.88 1.67 0.00 -1.87 -2.70 119.26 118.88 1rqs h ALA 67 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1rqs h ALA 67 Cb 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rqs h ALA 67 CO -0.00 0.66 -0.45 0.28 0.00 0.00 0.00 179.25 179.74 1rqs h VAL 68 N 0.58 0.09 -0.98 0.00 2.07 -0.99 0.97 116.25 117.99 1rqs h VAL 68 Ca 0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.80 1rqs h VAL 68 Cb 0.91 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1rqs h VAL 68 CO 0.08 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.71 1rqs h ILE 69 N -1.21 0.61 0.29 4.57 2.04 -0.89 0.39 117.51 123.31 1rqs h ILE 69 Ca -0.12 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1rqs h ILE 69 Cb 0.94 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1rqs h ILE 69 CO 0.18 0.08 -0.14 0.11 0.00 0.00 0.00 178.15 178.38 1rqs h LYS 70 N 0.45 -0.37 -1.00 2.37 1.57 -1.09 -0.62 116.57 117.88 1rqs h LYS 70 Ca 0.54 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.47 1rqs h LYS 70 Cb 1.29 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.60 1rqs h LYS 70 CO -0.26 -0.08 0.63 0.00 -0.57 0.00 0.00 179.45 179.17 1rqs h ALA 71 N -0.04 1.51 0.11 3.86 0.00 0.18 0.27 119.26 125.15 1rqs h ALA 71 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rqs h ALA 71 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rqs h ALA 71 CO 0.06 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 1rqs h VAL 72 N 1.00 0.00 -1.16 0.00 2.07 -0.18 0.12 116.25 118.09 1rqs h VAL 72 Ca 0.50 -0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.34 1rqs h VAL 72 Cb 0.49 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1rqs h VAL 72 CO -0.27 0.00 0.79 0.03 0.02 0.00 0.00 177.57 178.14 1rqs h ARG 73 N -0.15 0.19 -0.07 1.57 3.08 -0.84 0.81 114.38 118.96 1rqs h ARG 73 Ca -0.01 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1rqs h ARG 73 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1rqs h ARG 73 CO 0.02 0.12 -0.61 0.78 -1.07 0.00 0.00 179.97 179.21 1rqs h GLY 74 N 0.19 0.27 1.36 0.04 0.00 -0.17 0.45 103.07 105.21 1rqs h GLY 74 Ca 0.63 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 1rqs h GLY 74 CO -0.20 0.30 -0.97 0.00 0.00 0.00 0.00 176.54 175.68 1rqs h ALA 75 N 1.18 0.66 -1.85 3.60 0.00 0.32 -3.44 119.26 119.73 1rqs h ALA 75 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rqs h ALA 75 Cb 1.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rqs h ALA 75 CO 0.10 0.59 0.00 0.25 0.00 0.00 0.00 179.25 180.19 1rqs n THR 76 N -2.96 0.00 0.00 0.00 -2.24 0.92 -5.07 114.28 104.93 1rqs n THR 76 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1rqs n THR 76 Cb 0.73 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 3.62 1.89 3.77 3.38 0.00 0.16 -4.99 105.19 113.02 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 3.49 0.41 0.99 1.43 -1.26 -4.95 118.68 118.79 1rqs s LEU 78 Ca 0.00 2.05 -0.25 0.00 -1.03 0.00 0.00 54.13 54.90 1rqs s LEU 78 Cb 0.00 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 1rqs s LEU 78 CO 0.00 -1.52 1.06 0.61 0.23 0.00 0.00 176.35 176.72 1rqs n GLY 79 N -0.33 -0.07 0.34 -3.19 0.00 -1.26 -4.56 105.19 96.11 1rqs n GLY 79 Ca 0.11 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.45 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 1.67 -0.40 0.25 0.99 6.46 -1.99 0.20 115.31 122.49 1rqs h LEU 80 Ca -0.45 0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1rqs h LEU 80 Cb 1.33 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 1rqs h LEU 80 CO 0.58 -0.36 -0.13 0.50 -0.62 0.00 0.00 178.44 178.41 1rqs h LYS 81 N 0.01 -0.34 -0.93 1.25 3.11 -1.99 0.81 116.57 118.49 1rqs h LYS 81 Ca 0.62 0.02 0.23 0.00 -2.81 0.00 0.00 60.65 58.71 1rqs h LYS 81 Cb 1.32 0.08 -0.17 0.00 -1.00 0.00 0.00 32.23 32.46 1rqs h LYS 81 CO -0.90 -0.23 -0.04 0.93 -2.81 0.00 0.00 179.45 176.40 1rqs h GLU 82 N -0.35 0.03 -0.31 1.90 4.39 -1.34 0.63 114.58 119.53 1rqs h GLU 82 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1rqs h GLU 82 Cb 0.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1rqs h GLU 82 CO 0.05 0.02 0.18 0.00 -1.16 0.00 0.00 179.01 178.10 1rqs h ALA 83 N 1.91 0.40 0.17 3.43 0.00 -0.54 0.34 119.26 124.96 1rqs h ALA 83 Ca 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1rqs h ALA 83 Cb 0.98 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1rqs h ALA 83 CO -0.88 -0.09 -0.26 -0.22 0.00 0.00 0.00 179.25 177.80 1rqs h LYS 84 N 0.39 -0.48 -0.47 0.00 3.64 0.27 -1.22 116.57 118.70 1rqs h LYS 84 Ca 0.11 0.03 0.08 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 31.91 1rqs h LYS 84 CO -0.02 -0.32 0.10 -0.44 -2.27 0.00 0.00 179.45 176.50 1rqs h ASP 85 N -0.50 0.02 -0.05 4.20 3.32 -0.58 0.21 116.42 123.04 1rqs h ASP 85 Ca 0.02 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1rqs h ASP 85 Cb 0.50 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 1rqs h ASP 85 CO -0.12 0.04 -0.47 0.25 -1.72 0.00 0.00 179.24 177.22 1rqs h LEU 86 N 0.24 -1.46 -0.98 1.55 5.85 -0.37 0.55 115.31 120.69 1rqs h LEU 86 Ca 0.23 0.18 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1rqs h LEU 86 Cb 0.29 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1rqs h LEU 86 CO -0.30 -0.48 0.64 0.58 -0.34 0.00 0.00 178.44 178.55 1rqs h VAL 87 N -0.59 1.18 0.00 1.05 2.07 -0.61 0.43 116.25 119.77 1rqs h VAL 87 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rqs h VAL 87 Cb 0.68 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1rqs h VAL 87 CO -0.37 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 176.83 1rqs n GLU 88 N -4.45 0.07 -0.55 1.57 -0.58 0.67 -1.99 120.64 115.37 1rqs n GLU 88 Ca 0.13 0.24 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 1rqs n GLU 88 Cb 0.08 -1.62 0.29 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.75 4.31 -4.52 1.62 7.64 0.18 -5.02 113.62 116.08 1rqs n SER 89 Ca 0.04 -2.97 -0.38 0.00 1.01 0.00 0.00 58.87 56.58 1rqs n SER 89 Cb 0.24 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.20 -0.65 -1.58 -0.43 0.00 -0.84 -4.44 120.51 112.37 1rqs n ALA 90 Ca 0.23 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1rqs n ALA 90 Cb 0.95 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.35 2.99 0.07 0.00 0.04 -1.26 -5.10 135.00 129.39 1rqs s PRO 91 Ca 0.72 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1rqs s PRO 91 Cb -0.43 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1rqs s PRO 91 CO 0.51 -1.06 -0.04 0.00 0.04 0.00 0.00 177.00 176.46 1rqs s ALA 92 N -2.97 0.67 -0.38 8.56 0.00 -0.48 -4.97 121.76 122.19 1rqs s ALA 92 Ca 0.59 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 1rqs s ALA 92 Cb -0.14 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1rqs s ALA 92 CO 0.53 -0.33 0.59 0.00 0.00 0.00 0.00 175.76 176.55 1rqs s ALA 93 N -3.83 3.43 -0.10 0.00 0.00 -1.26 -0.08 121.76 119.92 1rqs s ALA 93 Ca 0.09 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1rqs s ALA 93 Cb 0.07 -3.16 -0.28 0.00 0.00 0.00 0.00 23.12 19.76 1rqs s ALA 93 CO -0.08 -1.45 0.69 -0.07 0.00 0.00 0.00 175.76 174.85 1rqs h LEU 94 N 9.37 0.30 -7.71 0.00 3.38 -1.35 -3.48 115.31 115.81 1rqs h LEU 94 Ca -0.27 -0.88 -0.14 0.00 0.09 0.00 0.00 57.88 56.68 1rqs h LEU 94 Cb 1.11 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.56 1rqs h LEU 94 CO 0.83 1.40 -0.47 -0.54 0.09 0.00 0.00 178.44 179.75 1rqs s LYS 95 N -2.40 0.49 -0.09 1.13 1.02 -0.66 -4.97 119.74 114.26 1rqs s LYS 95 Ca -0.18 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1rqs s LYS 95 Cb 0.02 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1rqs s LYS 95 CO 0.76 -0.12 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.71 1rqs s GLU 96 N -1.32 2.08 -0.55 1.68 2.02 -1.26 -1.20 118.70 120.15 1rqs s GLU 96 Ca -0.14 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.05 1rqs s GLU 96 Cb -0.07 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.48 1rqs s GLU 96 CO 0.02 0.00 0.65 0.41 0.02 0.00 0.00 175.26 176.36 1rqs n GLY 97 N 3.96 -0.33 3.49 -1.39 0.00 -0.97 -4.94 105.19 105.01 1rqs n GLY 97 Ca -0.20 1.01 -0.23 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 -1.97 1.59 0.38 1.61 -7.23 0.73 -4.74 120.40 110.76 1rqs s VAL 98 Ca 0.27 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.11 1rqs s VAL 98 Cb -0.03 -2.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.05 1rqs s VAL 98 CO 0.87 -0.09 1.50 -0.94 -0.31 0.00 0.00 175.10 176.13 1rqs s SER 99 N -3.54 6.33 0.22 4.85 1.04 -1.26 -2.43 113.70 118.90 1rqs s SER 99 Ca 0.34 3.06 -0.08 0.00 0.48 0.00 0.00 55.95 59.75 1rqs s SER 99 Cb 0.07 -2.67 0.33 0.00 0.10 0.00 0.00 66.02 63.85 1rqs s SER 99 CO 0.15 -0.89 1.74 0.50 0.98 0.00 0.00 173.24 175.72 1rqs h LYS 100 N 3.04 0.39 -0.87 4.02 3.11 -1.93 0.22 116.57 124.55 1rqs h LYS 100 Ca -0.51 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.39 1rqs h LYS 100 Cb 1.24 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.31 1rqs h LYS 100 CO 0.65 0.26 0.53 -0.44 -2.81 0.00 0.00 179.45 177.63 1rqs h ASP 101 N 0.40 0.80 0.06 4.20 3.32 -1.99 0.22 116.42 123.43 1rqs h ASP 101 Ca 0.34 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 1rqs h ASP 101 Cb 0.45 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1rqs h ASP 101 CO -0.35 0.48 -0.48 0.44 -1.72 0.00 0.00 179.24 177.62 1rqs h ASP 102 N 0.92 0.53 -0.09 6.45 3.32 -1.47 -0.95 116.42 125.13 1rqs h ASP 102 Ca 0.40 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1rqs h ASP 102 Cb 0.28 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1rqs h ASP 102 CO -0.21 0.92 0.03 0.00 -1.72 0.00 0.00 179.24 178.26 1rqs h ALA 103 N 1.10 0.12 0.00 3.45 0.00 0.98 -1.03 119.26 123.88 1rqs h ALA 103 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1rqs h ALA 103 Cb 0.98 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rqs h ALA 103 CO 0.09 -0.26 -0.20 1.49 0.00 0.00 0.00 179.25 180.37 1rqs h GLU 104 N -0.05 0.00 0.06 0.00 4.81 -0.59 -0.25 114.58 118.56 1rqs h GLU 104 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 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 0.20 -0.03 0.00 -0.73 0.00 0.00 179.01 178.45 1rqs h ALA 105 N 1.80 -0.08 -0.37 2.92 0.00 -0.79 -1.46 119.26 121.27 1rqs h ALA 105 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1rqs h ALA 105 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rqs h ALA 105 CO 0.03 -0.26 0.07 1.25 0.00 0.00 0.00 179.25 180.33 1rqs h LEU 106 N -0.65 0.59 -0.23 0.00 7.12 -1.03 -2.42 115.31 118.68 1rqs h LEU 106 Ca -0.01 -0.25 0.05 0.00 0.13 0.00 0.00 57.88 57.80 1rqs h LEU 106 Cb 0.55 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.48 1rqs h LEU 106 CO 0.01 0.69 -0.08 0.50 -0.13 0.00 0.00 178.44 179.43 1rqs h LYS 107 N 0.46 -0.03 -0.99 1.25 3.64 -1.10 0.11 116.57 119.91 1rqs h LYS 107 Ca 0.11 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1rqs h LYS 107 Cb 0.35 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1rqs h LYS 107 CO 0.01 -0.02 0.62 0.87 -2.27 0.00 0.00 179.45 178.65 1rqs h LYS 108 N -0.03 0.84 -0.51 1.90 1.57 -1.07 0.11 116.57 119.37 1rqs h LYS 108 Ca 0.12 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1rqs h LYS 108 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1rqs h LYS 108 CO -0.26 0.56 0.08 0.00 -0.57 0.00 0.00 179.45 179.25 1rqs h ALA 109 N 1.59 0.68 -0.38 3.86 0.00 -0.54 0.30 119.26 124.77 1rqs h ALA 109 Ca 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1rqs h ALA 109 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rqs h ALA 109 CO -0.30 0.42 0.16 -0.07 0.00 0.00 0.00 179.25 179.46 1rqs h LEU 110 N 0.72 0.51 -0.79 0.00 -0.00 0.42 -2.43 115.31 113.74 1rqs h LEU 110 Ca 0.15 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1rqs h LEU 110 Cb 0.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1rqs h LEU 110 CO 0.01 0.52 -0.13 -0.33 -0.00 0.00 0.00 178.44 178.51 1rqs h GLU 111 N 0.46 0.77 -0.88 1.13 5.08 -0.52 0.16 114.58 120.79 1rqs h GLU 111 Ca 0.13 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1rqs h GLU 111 Cb 0.16 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1rqs h GLU 111 CO -0.01 0.87 0.58 0.93 -1.00 0.00 0.00 179.01 180.37 1rqs h GLU 112 N 0.70 1.02 0.03 2.33 4.39 -0.16 -1.67 114.58 121.22 1rqs h GLU 112 Ca 0.11 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.51 1rqs h GLU 112 Cb 0.62 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1rqs h GLU 112 CO 0.04 0.68 -1.16 0.00 -1.16 0.00 0.00 179.01 177.41 1rqs h ALA 113 N 1.50 0.34 0.00 3.43 0.00 -0.95 -3.48 119.26 120.10 1rqs h ALA 113 Ca 0.36 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rqs h ALA 113 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rqs h ALA 113 CO -0.12 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.76 1rqs n GLY 114 N 1.43 0.78 3.40 0.00 0.00 0.38 -4.75 105.19 106.42 1rqs n GLY 114 Ca -0.05 -0.73 -0.20 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 -1.50 2.15 -0.27 4.61 0.00 -0.11 -3.95 121.76 122.69 1rqs s ALA 115 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 51.96 49.97 1rqs s ALA 115 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1rqs s ALA 115 CO 0.00 -0.19 0.15 -2.00 0.00 0.00 0.00 175.76 173.72 1rqs s GLU 116 N -3.81 3.80 0.28 0.00 2.12 0.61 -4.34 118.70 117.36 1rqs s GLU 116 Ca 0.31 -0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.32 1rqs s GLU 116 Cb 0.06 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1rqs s GLU 116 CO 0.11 -0.20 0.03 0.08 -0.54 0.00 0.00 175.26 174.74 1rqs s VAL 117 N 1.70 3.48 -0.04 3.70 1.01 -1.26 -2.28 120.40 126.70 1rqs s VAL 117 Ca 0.07 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1rqs s VAL 117 Cb -0.16 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1rqs s VAL 117 CO 0.08 -0.35 -0.09 -0.70 0.00 0.00 0.00 175.10 174.05 1rqs s GLU 118 N -3.71 1.13 -0.23 2.72 2.56 0.00 -4.86 118.70 116.31 1rqs s GLU 118 Ca 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 54.97 55.01 1rqs s GLU 118 Cb -0.06 -1.02 0.02 0.00 2.00 0.00 0.00 34.13 35.07 1rqs s GLU 118 CO 0.21 0.03 -0.10 0.08 -0.56 0.00 0.00 175.26 174.92 1rqs s VAL 119 N 0.54 2.65 0.00 3.70 1.01 -1.26 -0.69 120.40 126.35 1rqs s VAL 119 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1rqs s VAL 119 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1rqs s VAL 119 CO 0.01 0.29 0.00 2.29 0.00 0.00 0.00 175.10 177.69