#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 0.97 -3.46 0.00 0.00 -1.26 -5.10 120.51 111.66 1rqs n ALA 48 Ca 0.00 -2.65 -0.26 0.00 0.00 0.00 0.00 53.44 50.52 1rqs n ALA 48 Cb 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.79 1.98 -0.25 0.00 8.01 -1.26 -5.11 118.70 121.28 1rqs s GLU 49 Ca 0.34 -0.50 -0.16 0.00 0.01 0.00 0.00 54.97 54.65 1rqs s GLU 49 Cb 0.24 -1.62 -0.03 0.00 -4.31 0.00 0.00 34.13 28.41 1rqs s GLU 49 CO -0.13 0.03 0.43 -1.21 0.01 0.00 0.00 175.26 174.39 1rqs s GLU 50 N 0.68 4.07 -1.05 1.61 8.01 -1.26 -5.00 118.70 125.76 1rqs s GLU 50 Ca -0.14 0.18 -0.21 0.00 0.01 0.00 0.00 54.97 54.82 1rqs s GLU 50 Cb -0.16 -3.63 0.08 0.00 -4.31 0.00 0.00 34.13 26.11 1rqs s GLU 50 CO 0.04 -0.25 1.42 0.15 0.01 0.00 0.00 175.26 176.62 1rqs s LYS 51 N 1.98 3.69 -0.17 1.61 1.02 -1.26 -4.67 119.74 121.94 1rqs s LYS 51 Ca 0.18 -1.50 0.16 0.00 0.02 0.00 0.00 55.97 54.83 1rqs s LYS 51 Cb -0.15 -5.26 0.40 0.00 -0.52 0.00 0.00 37.83 32.29 1rqs s LYS 51 CO 0.09 -2.08 1.27 0.25 -0.92 0.00 0.00 175.35 173.96 1rqs n THR 52 N 6.33 2.11 -3.55 2.17 -2.24 -1.26 -4.89 114.28 112.96 1rqs n THR 52 Ca 0.34 -2.33 -0.29 0.00 -2.27 0.00 0.00 64.05 59.49 1rqs n THR 52 Cb 0.49 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.95 0.20 0.05 -0.78 2.02 -1.26 -4.70 118.70 111.28 1rqs s GLU 53 Ca 0.37 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.88 1rqs s GLU 53 Cb 0.32 -1.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 1rqs s GLU 53 CO 0.03 -1.01 -0.04 -0.06 0.02 0.00 0.00 175.26 174.20 1rqs s PHE 54 N 2.09 2.91 -0.01 1.61 0.40 -1.00 -4.72 117.98 119.27 1rqs s PHE 54 Ca 0.09 -0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1rqs s PHE 54 Cb -0.16 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1rqs s PHE 54 CO -0.36 0.43 -0.09 -0.51 0.70 0.00 0.00 175.22 175.39 1rqs s ASP 55 N -1.89 4.44 -0.28 1.36 1.11 0.13 -0.28 116.67 121.26 1rqs s ASP 55 Ca 0.21 -0.17 -0.01 0.00 0.18 0.00 0.00 52.55 52.75 1rqs s ASP 55 Cb -0.11 -1.00 0.04 0.00 1.07 0.00 0.00 42.92 42.92 1rqs s ASP 55 CO 0.13 0.30 -0.03 -0.69 1.18 0.00 0.00 175.17 176.06 1rqs s VAL 56 N -0.93 2.91 0.07 -1.27 1.01 -0.35 -1.30 120.40 120.53 1rqs s VAL 56 Ca 0.15 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1rqs s VAL 56 Cb -0.11 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1rqs s VAL 56 CO 0.06 0.01 0.02 -0.63 0.00 0.00 0.00 175.10 174.55 1rqs s ILE 57 N 1.27 4.15 -0.28 2.22 1.01 0.10 -0.72 121.20 128.95 1rqs s ILE 57 Ca -0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1rqs s ILE 57 Cb -0.19 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1rqs s ILE 57 CO -0.02 0.18 0.09 -0.22 0.00 0.00 0.00 174.94 174.97 1rqs s LEU 58 N -2.15 3.76 -0.17 2.97 2.96 0.24 -0.48 118.68 125.81 1rqs s LEU 58 Ca 0.25 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.51 1rqs s LEU 58 Cb -0.12 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 1rqs s LEU 58 CO 0.17 -0.14 -0.07 0.29 -1.32 0.00 0.00 176.35 175.28 1rqs n LYS 59 N 4.91 0.50 -3.97 1.98 5.02 -0.95 -2.08 118.16 123.58 1rqs n LYS 59 Ca -0.15 0.51 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 1rqs n LYS 59 Cb 0.49 -1.69 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.61 0.52 0.37 7.82 0.00 -1.03 -4.41 121.76 122.43 1rqs s ALA 60 Ca -0.22 0.02 0.18 0.00 0.00 0.00 0.00 51.96 51.95 1rqs s ALA 60 Cb 0.04 -0.46 0.98 0.00 0.00 0.00 0.00 23.12 23.67 1rqs s ALA 60 CO 0.37 -0.15 1.91 0.00 0.00 0.00 0.00 175.76 177.89 1rqs h ALA 61 N 7.51 1.36 -0.03 0.00 0.00 -1.90 0.13 119.26 126.33 1rqs h ALA 61 Ca -0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1rqs h ALA 61 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rqs h ALA 61 CO 0.41 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1rqs n GLY 62 N -0.53 -1.56 1.87 0.00 0.00 -1.26 -3.93 105.19 99.78 1rqs n GLY 62 Ca -0.02 -1.32 -0.17 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 1.63 5.01 -2.82 4.61 0.00 -1.25 -4.06 120.51 123.63 1rqs n ALA 63 Ca 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 53.44 51.62 1rqs n ALA 63 Cb 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.15 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 0.17 -1.37 0.24 0.00 2.85 -1.25 -4.95 115.26 110.95 1rqs n ASN 64 Ca 0.32 -3.28 0.07 0.00 -0.11 0.00 0.00 54.58 51.57 1rqs n ASN 64 Cb 0.67 1.09 0.56 0.00 1.24 0.00 0.00 39.78 43.34 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 2.82 0.00 -0.40 1.20 3.64 -1.77 -1.50 116.57 120.57 1rqs h LYS 65 Ca -0.09 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1rqs h LYS 65 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1rqs h LYS 65 CO 0.20 0.13 0.14 0.28 -2.27 0.00 0.00 179.45 177.93 1rqs h VAL 66 N 0.00 1.21 -0.31 2.00 2.07 -1.94 0.13 116.25 119.40 1rqs h VAL 66 Ca -0.00 -0.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 1rqs h VAL 66 Cb 0.24 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1rqs h VAL 66 CO 0.02 0.24 -0.47 0.00 0.02 0.00 0.00 177.57 177.37 1rqs h ALA 67 N 0.99 0.58 0.86 1.67 0.00 -1.83 -2.73 119.26 118.80 1rqs h ALA 67 Ca 0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1rqs h ALA 67 Cb 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rqs h ALA 67 CO -0.01 0.68 -0.44 0.28 0.00 0.00 0.00 179.25 179.76 1rqs h VAL 68 N 0.66 0.10 -0.99 0.00 2.07 -0.95 0.71 116.25 117.85 1rqs h VAL 68 Ca 0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.79 1rqs h VAL 68 Cb 1.06 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1rqs h VAL 68 CO 0.11 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.74 1rqs h ILE 69 N -1.20 0.60 0.27 4.57 2.04 -0.79 0.40 117.51 123.40 1rqs h ILE 69 Ca -0.12 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rqs h ILE 69 Cb 0.93 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1rqs h ILE 69 CO 0.17 0.08 -0.13 0.11 0.00 0.00 0.00 178.15 178.38 1rqs h LYS 70 N 0.44 -0.36 -0.90 2.37 1.57 -1.10 -1.00 116.57 117.60 1rqs h LYS 70 Ca 0.55 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.48 1rqs h LYS 70 Cb 1.33 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.64 1rqs h LYS 70 CO -0.26 -0.07 0.53 0.00 -0.57 0.00 0.00 179.45 179.08 1rqs h ALA 71 N -0.01 1.35 0.13 3.86 0.00 0.18 0.13 119.26 124.90 1rqs h ALA 71 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rqs h ALA 71 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rqs h ALA 71 CO 0.06 0.09 -0.07 0.28 0.00 0.00 0.00 179.25 179.61 1rqs h VAL 72 N 0.82 0.00 -1.19 0.00 2.07 -0.21 0.20 116.25 117.95 1rqs h VAL 72 Ca 0.46 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.32 1rqs h VAL 72 Cb 0.51 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 1rqs h VAL 72 CO -0.29 0.00 0.80 -0.09 0.02 0.00 0.00 177.57 178.01 1rqs h ARG 73 N -0.18 0.18 -0.09 1.57 2.43 -0.93 0.77 114.38 118.13 1rqs h ARG 73 Ca -0.02 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1rqs h ARG 73 Cb 0.14 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1rqs h ARG 73 CO 0.03 0.12 -0.67 0.78 -1.51 0.00 0.00 179.97 178.71 1rqs h GLY 74 N 0.19 0.42 1.42 2.80 0.00 -0.33 0.28 103.07 107.84 1rqs h GLY 74 Ca 0.64 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1rqs h GLY 74 CO -0.21 0.50 -0.92 0.00 0.00 0.00 0.00 176.54 175.91 1rqs h ALA 75 N 1.01 0.66 -1.93 3.60 0.00 0.35 -3.43 119.26 119.52 1rqs h ALA 75 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rqs h ALA 75 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rqs h ALA 75 CO 0.11 0.61 0.00 0.25 0.00 0.00 0.00 179.25 180.22 1rqs n THR 76 N -2.99 0.00 0.00 0.00 -2.24 0.12 -5.07 114.28 104.09 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 0.74 -0.65 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 3.69 1.89 3.77 3.38 0.00 0.97 -4.99 105.19 113.91 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 3.46 0.46 0.99 1.43 -1.26 -4.95 118.68 118.82 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 -1.59 1.00 0.61 0.23 0.00 0.00 176.35 176.60 1rqs n GLY 79 N -0.29 -0.22 0.33 -3.19 0.00 -1.26 -4.56 105.19 96.01 1rqs n GLY 79 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 1.32 -0.58 0.37 0.99 6.46 -1.99 0.21 115.31 122.09 1rqs h LEU 80 Ca -0.46 0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1rqs h LEU 80 Cb 1.34 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 41.77 1rqs h LEU 80 CO 0.55 -0.31 -0.19 0.50 -0.62 0.00 0.00 178.44 178.37 1rqs h LYS 81 N 0.02 -0.49 -0.97 1.25 3.64 -1.99 0.41 116.57 118.44 1rqs h LYS 81 Ca 0.53 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 60.19 1rqs h LYS 81 Cb 0.98 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.73 1rqs h LYS 81 CO -0.90 -0.33 -0.03 0.93 -2.27 0.00 0.00 179.45 176.86 1rqs h GLU 82 N -0.51 0.02 -0.29 1.90 3.07 -1.42 0.85 114.58 118.20 1rqs h GLU 82 Ca -0.05 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1rqs h GLU 82 Cb 0.39 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1rqs h GLU 82 CO 0.08 0.01 0.15 0.00 -1.40 0.00 0.00 179.01 177.85 1rqs h ALA 83 N 1.96 0.37 0.20 3.43 0.00 -0.47 0.13 119.26 124.87 1rqs h ALA 83 Ca 0.56 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1rqs h ALA 83 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1rqs h ALA 83 CO -0.92 -0.10 -0.28 -0.22 0.00 0.00 0.00 179.25 177.73 1rqs h LYS 84 N 0.34 -0.52 -0.38 0.00 1.63 0.28 -1.00 116.57 116.93 1rqs h LYS 84 Ca 0.10 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1rqs h LYS 84 Cb 0.07 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 1rqs h LYS 84 CO -0.02 -0.35 0.08 -0.44 -3.45 0.00 0.00 179.45 175.28 1rqs h ASP 85 N -0.54 0.03 -0.07 4.20 3.32 -0.55 0.10 116.42 122.92 1rqs h ASP 85 Ca 0.01 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1rqs h ASP 85 Cb 0.53 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 1rqs h ASP 85 CO -0.11 0.05 -0.53 0.25 -1.72 0.00 0.00 179.24 177.18 1rqs h LEU 86 N 0.21 -1.67 -1.00 1.55 5.85 -0.24 0.73 115.31 120.74 1rqs h LEU 86 Ca 0.18 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.12 1rqs h LEU 86 Cb 0.20 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1rqs h LEU 86 CO -0.23 -0.50 0.66 0.58 -0.34 0.00 0.00 178.44 178.61 1rqs h VAL 87 N -0.63 1.21 0.00 1.05 2.07 -0.79 0.82 116.25 119.98 1rqs h VAL 87 Ca 0.02 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1rqs h VAL 87 Cb 0.70 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1rqs h VAL 87 CO -0.40 0.24 0.00 -0.62 0.02 0.00 0.00 177.57 176.81 1rqs n GLU 88 N -4.42 0.20 -0.73 1.57 -0.58 0.32 -2.14 120.64 114.85 1rqs n GLU 88 Ca 0.13 0.36 0.06 0.00 -0.42 0.00 0.00 57.16 57.28 1rqs n GLU 88 Cb 0.06 -1.83 0.33 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.20 4.82 -4.68 1.62 7.64 0.24 -5.00 113.62 116.07 1rqs n SER 89 Ca 0.03 -3.03 -0.37 0.00 1.01 0.00 0.00 58.87 56.51 1rqs n SER 89 Cb 0.28 -0.64 0.07 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.03 0.67 -1.62 -0.43 0.00 -0.91 -4.34 120.51 113.91 1rqs n ALA 90 Ca 0.27 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1rqs n ALA 90 Cb 1.10 -2.23 0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.18 3.12 -0.11 0.00 0.04 -1.26 -5.09 135.00 128.52 1rqs s PRO 91 Ca 0.80 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1rqs s PRO 91 Cb -0.39 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1rqs s PRO 91 CO 0.43 -0.96 0.58 0.00 0.04 0.00 0.00 177.00 177.10 1rqs s ALA 92 N -2.82 -1.48 0.27 8.56 0.00 -0.88 -5.00 121.76 120.41 1rqs s ALA 92 Ca 0.60 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1rqs s ALA 92 Cb -0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1rqs s ALA 92 CO 0.48 -0.32 1.02 0.00 0.00 0.00 0.00 175.76 176.94 1rqs s ALA 93 N -0.67 3.36 -0.11 0.00 0.00 -1.26 -0.60 121.76 122.49 1rqs s ALA 93 Ca -0.07 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1rqs s ALA 93 Cb -0.03 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 1rqs s ALA 93 CO 0.06 0.01 -0.01 1.28 0.00 0.00 0.00 175.76 177.09 1rqs n LEU 94 N 1.25 0.95 -3.83 0.00 4.32 0.10 -4.89 117.00 114.90 1rqs n LEU 94 Ca -0.01 -0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.84 1rqs n LEU 94 Cb 0.46 0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 1rqs n LEU 94 CO 0.52 0.40 -0.10 -0.54 -1.22 0.00 0.00 177.39 176.44 1rqs s LYS 95 N -2.25 0.50 -0.06 3.23 1.02 -0.92 -4.92 119.74 116.35 1rqs s LYS 95 Ca -0.09 -0.22 -0.00 0.00 0.02 0.00 0.00 55.97 55.68 1rqs s LYS 95 Cb 0.03 0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1rqs s LYS 95 CO 0.37 -0.12 -0.02 -1.21 -0.92 0.00 0.00 175.35 173.46 1rqs s GLU 96 N -1.12 0.68 -1.05 1.68 2.02 -1.26 -1.22 118.70 118.43 1rqs s GLU 96 Ca -0.12 0.02 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 1rqs s GLU 96 Cb -0.06 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.24 1rqs s GLU 96 CO 0.02 -0.21 0.90 0.41 0.02 0.00 0.00 175.26 176.41 1rqs n GLY 97 N 4.64 -0.80 3.66 -1.39 0.00 -0.81 -4.96 105.19 105.54 1rqs n GLY 97 Ca -0.16 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.36 3.56 0.42 1.61 -7.23 0.62 -4.72 120.40 111.30 1rqs s VAL 98 Ca 0.28 -1.80 -0.26 0.00 -1.81 0.00 0.00 61.98 58.39 1rqs s VAL 98 Cb -0.04 -2.89 -0.10 0.00 0.56 0.00 0.00 36.38 33.92 1rqs s VAL 98 CO 0.70 -0.33 1.33 -1.54 -0.31 0.00 0.00 175.10 174.94 1rqs n SER 99 N -0.80 2.84 -0.22 4.85 3.41 -1.26 -2.39 113.62 120.05 1rqs n SER 99 Ca -0.07 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1rqs n SER 99 Cb 0.58 -1.53 0.11 0.00 -0.26 0.00 0.00 64.21 63.11 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 2.22 0.48 -0.99 4.33 3.11 -1.93 0.43 116.57 124.22 1rqs h LYS 100 Ca -0.49 -0.03 0.13 0.00 -2.81 0.00 0.00 60.65 57.46 1rqs h LYS 100 Cb 1.28 -0.11 -0.09 0.00 -1.00 0.00 0.00 32.23 32.32 1rqs h LYS 100 CO 0.61 0.32 0.62 -0.44 -2.81 0.00 0.00 179.45 177.75 1rqs h ASP 101 N 0.50 0.87 0.50 4.20 5.19 -1.99 0.37 116.42 126.06 1rqs h ASP 101 Ca 0.32 0.05 -0.17 0.00 -0.62 0.00 0.00 57.03 56.61 1rqs h ASP 101 Cb 0.35 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1rqs h ASP 101 CO -0.28 0.44 -0.73 0.44 -3.12 0.00 0.00 179.24 176.00 1rqs h ASP 102 N 0.93 0.22 0.15 6.45 3.32 -1.42 -2.02 116.42 124.05 1rqs h ASP 102 Ca 0.50 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 1rqs h ASP 102 Cb 0.58 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1rqs h ASP 102 CO -0.27 0.87 -0.07 0.00 -1.72 0.00 0.00 179.24 178.05 1rqs h ALA 103 N 1.12 -0.20 0.00 3.45 0.00 0.16 -1.32 119.26 122.47 1rqs h ALA 103 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1rqs h ALA 103 Cb 1.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1rqs h ALA 103 CO 0.11 -0.50 -0.29 1.05 0.00 0.00 0.00 179.25 179.63 1rqs h GLU 104 N -0.44 0.00 0.01 0.00 4.11 -0.87 -0.93 114.58 116.46 1rqs h GLU 104 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1rqs h GLU 104 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1rqs h GLU 104 CO 0.03 0.29 -0.01 0.00 0.07 0.00 0.00 179.01 179.39 1rqs h ALA 105 N 1.71 -0.02 -0.34 1.06 0.00 -1.11 0.83 119.26 121.40 1rqs h ALA 105 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1rqs h ALA 105 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rqs h ALA 105 CO 0.04 -0.32 0.04 1.25 0.00 0.00 0.00 179.25 180.26 1rqs h LEU 106 N -0.40 0.54 -0.14 0.00 7.12 -1.06 -2.30 115.31 119.08 1rqs h LEU 106 Ca -0.00 -0.27 0.03 0.00 0.13 0.00 0.00 57.88 57.77 1rqs h LEU 106 Cb 0.39 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 1rqs h LEU 106 CO 0.00 0.68 -0.07 0.50 -0.13 0.00 0.00 178.44 179.43 1rqs h LYS 107 N 0.39 -0.05 -1.00 1.25 3.64 -1.15 -0.66 116.57 118.99 1rqs h LYS 107 Ca 0.10 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1rqs h LYS 107 Cb 0.38 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 1rqs h LYS 107 CO 0.01 -0.03 0.62 0.87 -2.27 0.00 0.00 179.45 178.65 1rqs h LYS 108 N -0.05 0.89 -0.56 1.90 1.57 -0.67 0.13 116.57 119.77 1rqs h LYS 108 Ca 0.08 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1rqs h LYS 108 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1rqs h LYS 108 CO -0.17 0.59 0.05 0.00 -0.57 0.00 0.00 179.45 179.34 1rqs h ALA 109 N 1.57 0.75 -0.37 3.86 0.00 -0.67 0.12 119.26 124.51 1rqs h ALA 109 Ca 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rqs h ALA 109 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rqs h ALA 109 CO -0.29 0.54 0.18 -0.07 0.00 0.00 0.00 179.25 179.61 1rqs h LEU 110 N 0.85 0.49 -0.79 0.00 -0.00 0.53 -2.51 115.31 113.87 1rqs h LEU 110 Ca 0.16 -0.13 -0.09 0.00 -0.00 0.00 0.00 57.88 57.82 1rqs h LEU 110 Cb 0.48 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1rqs h LEU 110 CO 0.02 0.48 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.51 1rqs h GLU 111 N 0.46 0.81 -0.84 1.13 5.08 -0.53 0.23 114.58 120.93 1rqs h GLU 111 Ca 0.13 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1rqs h GLU 111 Cb 0.12 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1rqs h GLU 111 CO -0.02 0.88 0.55 0.93 -1.00 0.00 0.00 179.01 180.35 1rqs h GLU 112 N 0.74 0.89 0.02 2.33 4.39 -0.52 -1.46 114.58 120.96 1rqs h GLU 112 Ca 0.13 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.53 1rqs h GLU 112 Cb 0.58 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1rqs h GLU 112 CO 0.04 0.59 -1.24 0.00 -1.16 0.00 0.00 179.01 177.23 1rqs h ALA 113 N 1.55 0.44 0.00 3.43 0.00 -0.97 -3.49 119.26 120.22 1rqs h ALA 113 Ca 0.36 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rqs h ALA 113 Cb 0.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rqs h ALA 113 CO -0.13 1.32 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1rqs n GLY 114 N 1.44 0.81 3.40 0.00 0.00 0.65 -4.74 105.19 106.74 1rqs n GLY 114 Ca -0.06 -0.82 -0.20 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 -1.62 2.14 -0.23 4.61 0.00 -0.25 -3.93 121.76 122.46 1rqs s ALA 115 Ca 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 51.96 49.93 1rqs s ALA 115 Cb 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1rqs s ALA 115 CO 0.00 -0.32 0.04 -2.00 0.00 0.00 0.00 175.76 173.48 1rqs s GLU 116 N -3.91 3.61 0.38 0.00 2.12 0.44 -4.36 118.70 116.99 1rqs s GLU 116 Ca 0.35 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 55.25 1rqs s GLU 116 Cb 0.08 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1rqs s GLU 116 CO 0.14 -0.14 0.22 0.08 -0.54 0.00 0.00 175.26 175.01 1rqs s VAL 117 N 1.45 2.79 -0.03 3.70 1.01 -1.26 -2.24 120.40 125.82 1rqs s VAL 117 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1rqs s VAL 117 Cb -0.15 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1rqs s VAL 117 CO 0.02 -0.09 -0.00 -0.70 0.00 0.00 0.00 175.10 174.33 1rqs s GLU 118 N -3.94 0.35 -0.20 2.72 2.56 0.37 -4.79 118.70 115.77 1rqs s GLU 118 Ca 0.41 0.06 -0.06 0.00 0.00 0.00 0.00 54.97 55.37 1rqs s GLU 118 Cb -0.01 -0.51 -0.03 0.00 2.00 0.00 0.00 34.13 35.58 1rqs s GLU 118 CO 0.24 -0.13 0.04 0.08 -0.56 0.00 0.00 175.26 174.94 1rqs s VAL 119 N 0.99 4.37 0.00 3.70 1.01 -1.26 -0.72 120.40 128.49 1rqs s VAL 119 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1rqs s VAL 119 Cb -0.14 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1rqs s VAL 119 CO -0.02 0.42 0.24 1.17 0.00 0.00 0.00 175.10 176.92