#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 -2.52 -2.63 0.00 0.00 -1.26 -4.95 120.51 109.15 1rqs n ALA 48 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1rqs n ALA 48 Cb 0.00 -2.54 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 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 -7.27 0.96 -0.19 0.00 0.41 -1.26 -5.13 118.70 106.22 1rqs s GLU 49 Ca 0.42 -0.71 -0.03 0.00 -0.41 0.00 0.00 54.97 54.24 1rqs s GLU 49 Cb -0.22 -0.96 -0.01 0.00 -1.78 0.00 0.00 34.13 31.15 1rqs s GLU 49 CO 0.96 0.24 -0.06 -1.21 -0.49 0.00 0.00 175.26 174.70 1rqs s GLU 50 N -1.00 3.42 -0.39 1.61 2.02 -1.26 -5.05 118.70 118.06 1rqs s GLU 50 Ca 0.02 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1rqs s GLU 50 Cb -0.07 -2.90 0.15 0.00 0.10 0.00 0.00 34.13 31.40 1rqs s GLU 50 CO 0.01 -0.04 0.25 -1.59 0.02 0.00 0.00 175.26 173.91 1rqs s LYS 51 N 1.05 0.81 0.00 1.61 0.00 -1.26 -4.90 119.74 117.04 1rqs s LYS 51 Ca 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 55.97 54.40 1rqs s LYS 51 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 37.83 36.10 1rqs s LYS 51 CO -0.00 -1.24 0.56 0.25 0.00 0.00 0.00 175.35 174.91 1rqs n THR 52 N 3.66 0.00 -4.21 3.79 -2.24 -1.26 -4.94 114.28 109.08 1rqs n THR 52 Ca 0.15 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1rqs n THR 52 Cb 0.39 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.28 3.15 0.18 -0.78 2.02 -1.26 -4.17 118.70 116.56 1rqs s GLU 53 Ca 0.07 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.36 1rqs s GLU 53 Cb 0.07 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1rqs s GLU 53 CO 0.23 -0.14 0.11 -0.06 0.02 0.00 0.00 175.26 175.42 1rqs s PHE 54 N 1.18 3.06 -0.12 1.61 0.40 -0.36 -4.71 117.98 119.05 1rqs s PHE 54 Ca 0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1rqs s PHE 54 Cb -0.14 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 1rqs s PHE 54 CO -0.07 0.52 -0.04 -0.51 0.70 0.00 0.00 175.22 175.83 1rqs s ASP 55 N -3.17 4.87 -0.36 1.36 1.01 0.48 -0.28 116.67 120.58 1rqs s ASP 55 Ca 0.30 -0.03 -0.09 0.00 0.71 0.00 0.00 52.55 53.44 1rqs s ASP 55 Cb -0.09 -1.54 0.04 0.00 1.01 0.00 0.00 42.92 42.33 1rqs s ASP 55 CO 0.22 0.27 0.17 -0.69 0.21 0.00 0.00 175.17 175.35 1rqs s VAL 56 N -0.26 4.21 0.05 -1.27 1.01 -0.86 -2.25 120.40 121.03 1rqs s VAL 56 Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1rqs s VAL 56 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1rqs s VAL 56 CO 0.02 -0.24 -0.02 -0.63 0.00 0.00 0.00 175.10 174.24 1rqs s ILE 57 N 1.48 3.93 -0.26 2.22 1.09 -0.43 -0.30 121.20 128.92 1rqs s ILE 57 Ca 0.00 -0.88 -0.08 0.00 -1.10 0.00 0.00 60.65 58.59 1rqs s ILE 57 Cb -0.20 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.37 1rqs s ILE 57 CO 0.05 0.23 0.08 -0.22 -0.10 0.00 0.00 174.94 174.98 1rqs s LEU 58 N -1.97 3.56 -0.13 2.97 2.96 0.35 -1.08 118.68 125.34 1rqs s LEU 58 Ca 0.22 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1rqs s LEU 58 Cb -0.11 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1rqs s LEU 58 CO 0.14 -0.06 -0.18 0.29 -1.32 0.00 0.00 176.35 175.21 1rqs n LYS 59 N 4.93 0.40 -4.03 1.98 5.02 -0.93 -1.65 118.16 123.89 1rqs n LYS 59 Ca -0.16 0.42 -0.18 0.00 -2.02 0.00 0.00 58.31 56.38 1rqs n LYS 59 Cb 0.51 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.80 0.46 0.36 7.82 0.00 -1.04 -4.32 121.76 122.24 1rqs s ALA 60 Ca -0.15 0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.13 1rqs s ALA 60 Cb 0.02 -0.36 1.25 0.00 0.00 0.00 0.00 23.12 24.03 1rqs s ALA 60 CO 0.23 -0.05 1.99 0.00 0.00 0.00 0.00 175.76 177.93 1rqs h ALA 61 N 7.22 1.26 0.00 0.00 0.00 -1.91 0.12 119.26 125.95 1rqs h ALA 61 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rqs h ALA 61 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 61 CO 0.47 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1rqs n GLY 62 N -0.52 -1.41 1.74 0.00 0.00 -1.26 -3.92 105.19 99.81 1rqs n GLY 62 Ca -0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 2.24 4.53 -2.86 4.61 0.00 -1.25 -4.04 120.51 123.73 1rqs n ALA 63 Ca 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 53.44 51.80 1rqs n ALA 63 Cb 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.21 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 0.00 -1.43 0.11 0.00 2.85 -1.25 -4.96 115.26 110.58 1rqs n ASN 64 Ca 0.30 -3.50 0.03 0.00 -0.11 0.00 0.00 54.58 51.29 1rqs n ASN 64 Cb 0.84 1.20 0.42 0.00 1.24 0.00 0.00 39.78 43.48 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 3.00 0.26 -0.26 1.20 3.64 -1.77 -2.19 116.57 120.46 1rqs h LYS 65 Ca -0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1rqs h LYS 65 Cb 1.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1rqs h LYS 65 CO 0.24 0.33 0.05 0.28 -2.27 0.00 0.00 179.45 178.08 1rqs h VAL 66 N 0.26 1.22 -0.07 2.00 2.07 -1.94 0.45 116.25 120.24 1rqs h VAL 66 Ca 0.06 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1rqs h VAL 66 Cb 0.26 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1rqs h VAL 66 CO 0.01 0.24 -0.18 0.00 0.02 0.00 0.00 177.57 177.66 1rqs h ALA 67 N 0.87 1.57 0.12 1.67 0.00 -1.86 -2.27 119.26 119.37 1rqs h ALA 67 Ca 0.08 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 1rqs h ALA 67 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rqs h ALA 67 CO 0.00 0.31 -1.23 0.28 0.00 0.00 0.00 179.25 178.61 1rqs h VAL 68 N 0.11 1.51 -0.26 0.00 2.07 -0.81 -2.57 116.25 116.30 1rqs h VAL 68 Ca 0.02 -3.08 -0.02 0.00 0.82 0.00 0.00 66.70 64.44 1rqs h VAL 68 Cb 0.38 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1rqs h VAL 68 CO 0.03 0.90 0.09 0.40 0.02 0.00 0.00 177.57 179.00 1rqs h ILE 69 N 0.07 1.19 0.01 4.57 2.04 0.40 0.25 117.51 126.05 1rqs h ILE 69 Ca -0.13 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1rqs h ILE 69 Cb 1.97 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1rqs h ILE 69 CO 0.20 0.20 -0.01 0.07 0.00 0.00 0.00 178.15 178.62 1rqs h LYS 70 N 0.26 -0.02 -0.93 2.37 2.10 -1.51 -1.11 116.57 117.72 1rqs h LYS 70 Ca 0.08 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.85 1rqs h LYS 70 Cb 0.23 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.48 1rqs h LYS 70 CO -0.00 0.29 0.56 0.00 -2.00 0.00 0.00 179.45 178.29 1rqs h ALA 71 N 0.66 1.37 -0.24 0.07 0.00 -1.32 0.45 119.26 120.26 1rqs h ALA 71 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rqs h ALA 71 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rqs h ALA 71 CO 0.00 0.16 0.00 0.28 0.00 0.00 0.00 179.25 179.69 1rqs n VAL 72 N -4.68 0.00 -0.38 0.00 0.31 0.87 0.20 118.33 114.64 1rqs n VAL 72 Ca 0.17 1.42 0.32 0.00 -0.01 0.00 0.00 64.34 66.24 1rqs n VAL 72 Cb 0.33 -2.42 0.62 0.00 -0.91 0.00 0.00 33.84 31.47 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 0.18 -0.03 5.55 2.43 -0.94 0.92 114.38 122.49 1rqs h ARG 73 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1rqs h ARG 73 Cb 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1rqs h ARG 73 CO 0.00 0.12 -0.80 0.78 -1.51 0.00 0.00 179.97 178.56 1rqs h GLY 74 N 0.19 0.32 2.00 2.80 0.00 0.11 0.70 103.07 109.19 1rqs h GLY 74 Ca 0.68 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1rqs h GLY 74 CO -0.25 0.44 -0.47 0.00 0.00 0.00 0.00 176.54 176.26 1rqs h ALA 75 N 0.97 0.73 -1.74 3.60 0.00 0.51 -3.41 119.26 119.91 1rqs h ALA 75 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rqs h ALA 75 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rqs h ALA 75 CO 0.13 0.59 0.00 0.25 0.00 0.00 0.00 179.25 180.22 1rqs n THR 76 N -3.27 0.00 0.00 0.00 -2.24 0.37 -5.07 114.28 104.07 1rqs n THR 76 Ca 0.02 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1rqs n THR 76 Cb 0.69 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 3.16 1.32 3.77 3.38 0.00 0.24 -5.04 105.19 112.03 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 3.40 0.35 0.99 1.43 -1.26 -4.94 118.68 118.65 1rqs s LEU 78 Ca 0.00 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 54.82 1rqs s LEU 78 Cb 0.00 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.55 1rqs s LEU 78 CO 0.00 -1.58 1.10 0.61 0.23 0.00 0.00 176.35 176.71 1rqs n GLY 79 N -0.56 0.02 0.33 -3.19 0.00 -1.26 -4.54 105.19 95.98 1rqs n GLY 79 Ca 0.10 0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.53 1rqs n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rqs n LEU 80 N 0.86 -0.10 0.09 0.99 7.94 -1.26 -0.38 117.00 125.14 1rqs n LEU 80 Ca 0.08 1.62 -0.04 0.00 -1.11 0.00 0.00 56.01 56.56 1rqs n LEU 80 Cb 0.35 -0.59 -0.02 0.00 0.53 0.00 0.00 43.42 43.69 1rqs n LEU 80 CO 0.60 -1.64 0.51 0.50 -1.11 0.00 0.00 177.39 176.24 1rqs h LYS 81 N 0.00 -0.22 -1.00 1.96 1.63 -1.99 -0.22 116.57 116.73 1rqs h LYS 81 Ca 0.58 0.02 0.25 0.00 -0.85 0.00 0.00 60.65 60.64 1rqs h LYS 81 Cb 1.21 0.05 -0.19 0.00 -0.60 0.00 0.00 32.23 32.70 1rqs h LYS 81 CO -0.89 -0.15 -0.08 0.39 -3.45 0.00 0.00 179.45 175.27 1rqs n GLU 82 N -2.65 -0.08 -0.05 1.90 4.71 0.14 0.83 120.64 125.44 1rqs n GLU 82 Ca -0.03 1.52 -0.10 0.00 -0.01 0.00 0.00 57.16 58.54 1rqs n GLU 82 Cb 0.09 -2.36 -0.03 0.00 -1.01 0.00 0.00 31.44 28.13 1rqs n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rqs h ALA 83 N 2.00 0.28 0.25 0.62 0.00 -0.56 0.69 119.26 122.54 1rqs h ALA 83 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1rqs h ALA 83 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1rqs h ALA 83 CO -0.97 -0.24 -0.25 -0.22 0.00 0.00 0.00 179.25 177.57 1rqs h LYS 84 N 0.29 -0.51 -0.67 0.00 3.64 0.23 -1.31 116.57 118.24 1rqs h LYS 84 Ca 0.08 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1rqs h LYS 84 Cb -0.02 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 1rqs h LYS 84 CO -0.02 -0.34 0.22 -0.44 -2.27 0.00 0.00 179.45 176.60 1rqs h ASP 85 N -0.53 0.17 0.00 4.20 3.32 -0.44 0.16 116.42 123.30 1rqs h ASP 85 Ca -0.01 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1rqs h ASP 85 Cb 0.50 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1rqs h ASP 85 CO -0.06 0.08 -0.30 0.25 -1.72 0.00 0.00 179.24 177.49 1rqs h LEU 86 N 0.37 -0.89 -0.81 1.55 6.46 -0.24 0.54 115.31 122.29 1rqs h LEU 86 Ca 0.36 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 58.27 1rqs h LEU 86 Cb 0.51 0.36 -0.05 0.00 -0.73 0.00 0.00 40.66 40.75 1rqs h LEU 86 CO -0.38 -0.36 0.51 0.58 -0.62 0.00 0.00 178.44 178.16 1rqs h VAL 87 N -0.45 1.10 0.00 1.05 2.07 -0.11 0.69 116.25 120.60 1rqs h VAL 87 Ca 0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1rqs h VAL 87 Cb 0.53 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1rqs h VAL 87 CO -0.25 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 176.90 1rqs n GLU 88 N -4.61 0.14 -0.63 1.57 -0.58 0.45 -2.06 120.64 114.93 1rqs n GLU 88 Ca 0.10 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 1rqs n GLU 88 Cb 0.11 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.41 4.65 -4.72 1.62 7.64 0.18 -5.01 113.62 116.56 1rqs n SER 89 Ca 0.08 -2.99 -0.38 0.00 1.01 0.00 0.00 58.87 56.59 1rqs n SER 89 Cb 0.23 -0.60 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.05 1.27 -1.65 -0.43 0.00 -0.87 -4.26 120.51 114.52 1rqs n ALA 90 Ca 0.24 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1rqs n ALA 90 Cb 1.02 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.05 3.24 -0.14 0.00 0.04 -1.26 -5.09 135.00 128.74 1rqs s PRO 91 Ca 0.76 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 1rqs s PRO 91 Cb -0.41 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.15 1rqs s PRO 91 CO 0.46 -0.87 0.44 0.00 0.04 0.00 0.00 177.00 177.07 1rqs s ALA 92 N -2.68 -1.09 0.09 8.56 0.00 -0.66 -5.00 121.76 120.98 1rqs s ALA 92 Ca 0.61 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.39 1rqs s ALA 92 Cb -0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1rqs s ALA 92 CO 0.43 -0.23 1.25 0.00 0.00 0.00 0.00 175.76 177.22 1rqs s ALA 93 N -0.06 3.45 -0.20 0.00 0.00 -1.26 -0.50 121.76 123.19 1rqs s ALA 93 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 1rqs s ALA 93 Cb -0.03 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.41 1rqs s ALA 93 CO 0.02 -0.48 0.03 1.28 0.00 0.00 0.00 175.76 176.61 1rqs n LEU 94 N 3.82 2.69 -4.02 0.00 4.77 0.59 -4.89 117.00 119.97 1rqs n LEU 94 Ca 0.09 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1rqs n LEU 94 Cb 0.45 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 1rqs n LEU 94 CO 0.56 0.84 -0.35 -0.54 -1.33 0.00 0.00 177.39 176.57 1rqs s LYS 95 N -2.53 0.45 -0.09 3.23 -0.14 -0.37 -4.98 119.74 115.31 1rqs s LYS 95 Ca -0.30 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 53.47 1rqs s LYS 95 Cb 0.08 0.16 0.02 0.00 -1.68 0.00 0.00 37.83 36.41 1rqs s LYS 95 CO 0.66 -0.08 -0.12 -1.21 -0.76 0.00 0.00 175.35 173.84 1rqs s GLU 96 N -2.52 1.83 -0.49 1.68 2.02 -1.26 -2.04 118.70 117.92 1rqs s GLU 96 Ca -0.06 -0.42 -0.35 0.00 0.02 0.00 0.00 54.97 54.17 1rqs s GLU 96 Cb -0.02 -1.62 0.05 0.00 0.10 0.00 0.00 34.13 32.64 1rqs s GLU 96 CO -0.05 -0.09 0.66 0.41 0.02 0.00 0.00 175.26 176.21 1rqs n GLY 97 N 4.28 -0.02 3.50 -1.39 0.00 -1.13 -4.96 105.19 105.46 1rqs n GLY 97 Ca -0.19 1.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.66 1.50 0.37 1.61 -7.23 0.61 -4.80 120.40 110.80 1rqs s VAL 98 Ca 0.34 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.21 1rqs s VAL 98 Cb -0.04 -2.80 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 1rqs s VAL 98 CO 0.88 -0.05 1.51 -1.54 -0.31 0.00 0.00 175.10 175.59 1rqs n SER 99 N -0.75 3.86 -0.25 4.85 3.41 -1.26 -1.22 113.62 122.25 1rqs n SER 99 Ca -0.04 1.22 0.05 0.00 -0.26 0.00 0.00 58.87 59.85 1rqs n SER 99 Cb 0.66 -1.63 0.18 0.00 -0.26 0.00 0.00 64.21 63.17 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 3.12 0.40 -0.82 4.33 3.11 -1.92 0.77 116.57 125.56 1rqs h LYS 100 Ca -0.51 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.41 1rqs h LYS 100 Cb 1.24 -0.09 -0.08 0.00 -1.00 0.00 0.00 32.23 32.30 1rqs h LYS 100 CO 0.65 0.27 0.46 -0.44 -2.81 0.00 0.00 179.45 177.58 1rqs h ASP 101 N 0.41 0.64 -0.41 4.20 5.19 -1.95 0.26 116.42 124.76 1rqs h ASP 101 Ca 0.41 0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.78 1rqs h ASP 101 Cb 0.63 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1rqs h ASP 101 CO -0.41 0.35 -0.08 0.44 -3.12 0.00 0.00 179.24 176.42 1rqs h ASP 102 N 0.75 0.83 -0.16 6.45 3.32 -1.25 0.72 116.42 127.09 1rqs h ASP 102 Ca 0.40 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1rqs h ASP 102 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1rqs h ASP 102 CO -0.27 0.94 0.08 0.00 -1.72 0.00 0.00 179.24 178.27 1rqs h ALA 103 N 1.14 0.20 0.00 3.45 0.00 0.39 -0.31 119.26 124.14 1rqs h ALA 103 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rqs h ALA 103 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rqs h ALA 103 CO 0.03 -0.24 -0.26 1.49 0.00 0.00 0.00 179.25 180.28 1rqs h GLU 104 N 0.13 0.00 0.07 0.00 4.81 -0.33 0.66 114.58 119.92 1rqs h GLU 104 Ca 0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1rqs h GLU 104 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1rqs h GLU 104 CO -0.01 0.26 -0.03 0.00 -0.73 0.00 0.00 179.01 178.50 1rqs h ALA 105 N 1.74 -0.09 -0.24 2.92 0.00 -0.34 -1.52 119.26 121.73 1rqs h ALA 105 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1rqs h ALA 105 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rqs h ALA 105 CO 0.03 -0.28 0.04 1.25 0.00 0.00 0.00 179.25 180.29 1rqs h LEU 106 N -0.64 0.38 -0.25 0.00 7.12 -0.87 -2.60 115.31 118.46 1rqs h LEU 106 Ca -0.01 -0.26 0.05 0.00 0.13 0.00 0.00 57.88 57.80 1rqs h LEU 106 Cb 0.53 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 1rqs h LEU 106 CO 0.02 0.54 -0.09 0.50 -0.13 0.00 0.00 178.44 179.28 1rqs h LYS 107 N 0.21 -0.03 -0.95 1.25 3.64 -0.93 0.02 116.57 119.78 1rqs h LYS 107 Ca 0.07 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.62 1rqs h LYS 107 Cb 0.32 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 1rqs h LYS 107 CO 0.00 -0.02 0.55 0.87 -2.27 0.00 0.00 179.45 178.58 1rqs h LYS 108 N -0.04 0.72 -0.58 1.90 1.57 -1.13 0.30 116.57 119.32 1rqs h LYS 108 Ca 0.13 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1rqs h LYS 108 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1rqs h LYS 108 CO -0.28 0.47 -0.06 0.00 -0.57 0.00 0.00 179.45 179.02 1rqs h ALA 109 N 1.60 0.79 -0.20 3.86 0.00 -0.67 0.22 119.26 124.86 1rqs h ALA 109 Ca 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1rqs h ALA 109 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rqs h ALA 109 CO -0.36 0.67 0.06 -0.07 0.00 0.00 0.00 179.25 179.54 1rqs h LEU 110 N 0.95 0.30 -0.80 0.00 -0.00 0.86 -2.59 115.31 114.03 1rqs h LEU 110 Ca 0.16 -0.21 -0.10 0.00 -0.00 0.00 0.00 57.88 57.72 1rqs h LEU 110 Cb 0.62 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1rqs h LEU 110 CO 0.04 0.43 -0.18 -0.33 -0.00 0.00 0.00 178.44 178.40 1rqs h GLU 111 N 0.14 0.70 -0.85 1.13 5.08 -0.31 0.16 114.58 120.63 1rqs h GLU 111 Ca 0.06 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1rqs h GLU 111 Cb 0.25 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1rqs h GLU 111 CO -0.00 0.84 0.56 0.93 -1.00 0.00 0.00 179.01 180.34 1rqs h GLU 112 N 0.62 0.96 0.05 2.33 4.39 -0.43 -1.73 114.58 120.77 1rqs h GLU 112 Ca 0.10 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.49 1rqs h GLU 112 Cb 0.66 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1rqs h GLU 112 CO 0.05 0.64 -1.25 0.00 -1.16 0.00 0.00 179.01 177.29 1rqs h ALA 113 N 1.53 0.34 0.00 3.43 0.00 -1.02 -3.49 119.26 120.04 1rqs h ALA 113 Ca 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rqs h ALA 113 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rqs h ALA 113 CO -0.12 1.21 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1rqs n GLY 114 N 1.48 0.78 3.36 0.00 0.00 0.39 -4.75 105.19 106.45 1rqs n GLY 114 Ca -0.07 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.54 2.00 -0.25 4.61 0.00 -0.28 -3.97 121.76 122.33 1rqs s ALA 115 Ca 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 1rqs s ALA 115 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1rqs s ALA 115 CO 0.00 -0.17 0.12 -2.00 0.00 0.00 0.00 175.76 173.71 1rqs s GLU 116 N -3.80 3.87 0.34 0.00 2.12 0.41 -4.38 118.70 117.26 1rqs s GLU 116 Ca 0.28 -0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.32 1rqs s GLU 116 Cb 0.05 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1rqs s GLU 116 CO 0.09 -0.06 0.12 0.08 -0.54 0.00 0.00 175.26 174.95 1rqs s VAL 117 N 1.35 2.91 -0.04 3.70 1.01 -1.26 -2.18 120.40 125.89 1rqs s VAL 117 Ca 0.06 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1rqs s VAL 117 Cb -0.15 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1rqs s VAL 117 CO 0.06 -0.18 -0.05 -0.70 0.00 0.00 0.00 175.10 174.23 1rqs s GLU 118 N -3.82 0.79 -0.20 2.72 2.12 -0.24 -4.82 118.70 115.26 1rqs s GLU 118 Ca 0.37 -0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.56 1rqs s GLU 118 Cb -0.02 -0.79 -0.01 0.00 0.26 0.00 0.00 34.13 33.57 1rqs s GLU 118 CO 0.22 -0.06 -0.07 0.08 -0.54 0.00 0.00 175.26 174.89 1rqs s VAL 119 N 0.79 3.22 0.00 3.70 1.01 -1.26 -1.32 120.40 126.55 1rqs s VAL 119 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1rqs s VAL 119 Cb -0.13 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1rqs s VAL 119 CO 0.00 0.45 0.15 0.29 0.00 0.00 0.00 175.10 176.00