#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 3.26 1.05 0.00 0.00 -1.26 -4.97 121.76 119.84 1rqs s ALA 48 Ca 0.00 -2.84 -0.12 0.00 0.00 0.00 0.00 51.96 49.00 1rqs s ALA 48 Cb 0.00 -4.61 0.22 0.00 0.00 0.00 0.00 23.12 18.73 1rqs s ALA 48 CO 0.00 -3.33 1.07 -1.21 0.00 0.00 0.00 175.76 172.30 1rqs s GLU 49 N 4.24 0.01 0.31 0.00 0.41 -1.26 -5.01 118.70 117.40 1rqs s GLU 49 Ca 0.52 0.62 -0.17 0.00 -0.41 0.00 0.00 54.97 55.54 1rqs s GLU 49 Cb 0.03 -1.68 -0.09 0.00 -1.78 0.00 0.00 34.13 30.61 1rqs s GLU 49 CO 0.05 -3.04 0.75 -1.21 -0.49 0.00 0.00 175.26 171.32 1rqs s GLU 50 N -4.81 4.08 -0.41 1.61 8.01 -1.26 -5.05 118.70 120.88 1rqs s GLU 50 Ca 0.66 0.76 0.02 0.00 0.01 0.00 0.00 54.97 56.42 1rqs s GLU 50 Cb -0.20 -2.52 0.12 0.00 -4.31 0.00 0.00 34.13 27.22 1rqs s GLU 50 CO 0.60 0.20 0.19 -1.59 0.01 0.00 0.00 175.26 174.66 1rqs s LYS 51 N -2.76 1.23 -0.01 1.61 0.00 -1.26 -4.87 119.74 113.68 1rqs s LYS 51 Ca 0.52 -1.83 0.01 0.00 0.00 0.00 0.00 55.97 54.68 1rqs s LYS 51 Cb -0.12 -2.42 0.02 0.00 0.00 0.00 0.00 37.83 35.31 1rqs s LYS 51 CO 0.18 -1.09 0.86 0.25 0.00 0.00 0.00 175.35 175.55 1rqs n THR 52 N 3.88 0.17 -3.53 3.79 -2.24 -1.26 -4.94 114.28 110.16 1rqs n THR 52 Ca 0.05 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1rqs n THR 52 Cb 0.37 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.25 0.24 0.15 -0.78 2.02 -1.26 -4.37 118.70 114.47 1rqs s GLU 53 Ca 0.02 -0.65 0.09 0.00 0.02 0.00 0.00 54.97 54.45 1rqs s GLU 53 Cb 0.02 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 1rqs s GLU 53 CO 0.00 -1.05 -0.14 -0.06 0.02 0.00 0.00 175.26 174.04 1rqs s PHE 54 N 1.95 2.58 -0.09 1.61 0.40 -0.80 -4.75 117.98 118.87 1rqs s PHE 54 Ca 0.10 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1rqs s PHE 54 Cb -0.17 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1rqs s PHE 54 CO -0.31 0.46 0.02 -0.51 0.70 0.00 0.00 175.22 175.58 1rqs s ASP 55 N -2.53 5.39 -0.37 1.36 1.01 -0.13 -0.22 116.67 121.18 1rqs s ASP 55 Ca 0.22 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.57 1rqs s ASP 55 Cb -0.09 -1.57 0.04 0.00 1.01 0.00 0.00 42.92 42.30 1rqs s ASP 55 CO 0.13 0.37 0.17 -0.69 0.21 0.00 0.00 175.17 175.36 1rqs s VAL 56 N -0.83 4.17 0.04 -1.27 1.01 -0.71 -1.64 120.40 121.16 1rqs s VAL 56 Ca 0.13 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1rqs s VAL 56 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1rqs s VAL 56 CO 0.02 -0.27 -0.01 -0.63 0.00 0.00 0.00 175.10 174.21 1rqs s ILE 57 N 1.46 4.03 -0.26 2.22 1.09 -0.42 -0.82 121.20 128.49 1rqs s ILE 57 Ca 0.01 -0.78 -0.07 0.00 -1.10 0.00 0.00 60.65 58.71 1rqs s ILE 57 Cb -0.20 -2.84 -0.01 0.00 -1.06 0.00 0.00 42.46 38.35 1rqs s ILE 57 CO 0.04 0.28 0.06 -0.22 -0.10 0.00 0.00 174.94 175.00 1rqs s LEU 58 N -1.83 3.50 -0.21 2.97 2.96 -0.24 -0.90 118.68 124.92 1rqs s LEU 58 Ca 0.22 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1rqs s LEU 58 Cb -0.12 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 1rqs s LEU 58 CO 0.13 -0.09 -0.18 0.29 -1.32 0.00 0.00 176.35 175.18 1rqs n LYS 59 N 4.89 0.54 -3.72 1.98 5.02 -0.96 -2.17 118.16 123.74 1rqs n LYS 59 Ca -0.16 0.38 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 1rqs n LYS 59 Cb 0.50 -1.58 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.62 0.21 0.37 7.82 0.00 -1.04 -4.40 121.76 122.10 1rqs s ALA 60 Ca -0.29 0.21 0.22 0.00 0.00 0.00 0.00 51.96 52.10 1rqs s ALA 60 Cb 0.07 -0.49 1.16 0.00 0.00 0.00 0.00 23.12 23.86 1rqs s ALA 60 CO 0.44 -0.34 1.97 0.00 0.00 0.00 0.00 175.76 177.83 1rqs h ALA 61 N 8.00 1.31 -0.07 0.00 0.00 -1.91 0.13 119.26 126.73 1rqs h ALA 61 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rqs h ALA 61 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqs h ALA 61 CO 0.28 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1rqs n GLY 62 N -0.55 -1.56 1.86 0.00 0.00 -1.26 -3.94 105.19 99.74 1rqs n GLY 62 Ca -0.02 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 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 1.44 4.97 -2.81 4.61 0.00 -1.26 -4.03 120.51 123.44 1rqs n ALA 63 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 53.44 51.66 1rqs n ALA 63 Cb 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.16 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 0.19 -1.26 0.27 0.00 2.85 -1.25 -4.95 115.26 111.11 1rqs n ASN 64 Ca 0.31 -3.19 0.13 0.00 -0.11 0.00 0.00 54.58 51.71 1rqs n ASN 64 Cb 0.67 0.99 0.78 0.00 1.24 0.00 0.00 39.78 43.46 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 2.77 0.00 0.45 1.20 3.64 -1.76 -2.66 116.57 120.21 1rqs h LYS 65 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1rqs h LYS 65 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1rqs h LYS 65 CO 0.19 0.07 -0.22 0.28 -2.27 0.00 0.00 179.45 177.50 1rqs h VAL 66 N 0.00 0.00 -0.97 2.00 2.07 -1.94 0.10 116.25 117.51 1rqs h VAL 66 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1rqs h VAL 66 Cb 0.17 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 1rqs h VAL 66 CO 0.01 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.20 1rqs h ALA 67 N -1.72 1.43 0.38 1.67 0.00 -1.95 -1.94 119.26 117.13 1rqs h ALA 67 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rqs h ALA 67 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rqs h ALA 67 CO 0.10 0.24 -0.30 0.28 0.00 0.00 0.00 179.25 179.57 1rqs h VAL 68 N 0.99 0.00 -1.11 0.00 2.07 -1.31 0.15 116.25 117.04 1rqs h VAL 68 Ca 0.47 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.30 1rqs h VAL 68 Cb 0.41 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 1rqs h VAL 68 CO -0.25 0.00 0.71 0.40 0.02 0.00 0.00 177.57 178.45 1rqs h ILE 69 N -0.65 0.42 0.26 4.57 2.04 -0.35 0.54 117.51 124.34 1rqs h ILE 69 Ca -0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1rqs h ILE 69 Cb 0.55 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1rqs h ILE 69 CO 0.01 0.06 -0.13 0.11 0.00 0.00 0.00 178.15 178.20 1rqs h LYS 70 N 0.31 -0.34 -0.74 2.37 1.57 -0.64 -0.71 116.57 118.39 1rqs h LYS 70 Ca 0.65 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.56 1rqs h LYS 70 Cb 1.78 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 34.09 1rqs h LYS 70 CO -0.33 -0.05 0.38 0.00 -0.57 0.00 0.00 179.45 178.87 1rqs h ALA 71 N 0.03 1.04 -0.68 3.86 0.00 0.27 0.43 119.26 124.22 1rqs h ALA 71 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rqs h ALA 71 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rqs h ALA 71 CO 0.06 -0.04 0.00 0.28 0.00 0.00 0.00 179.25 179.55 1rqs n VAL 72 N -4.85 0.00 -0.33 0.00 0.31 0.90 0.20 118.33 114.56 1rqs n VAL 72 Ca 0.12 1.39 0.30 0.00 -0.01 0.00 0.00 64.34 66.14 1rqs n VAL 72 Cb 0.30 -2.36 0.64 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.17 -0.11 5.55 2.43 -1.01 0.77 114.38 122.19 1rqs h ARG 73 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 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 0.11 -0.60 0.78 -1.51 0.00 0.00 179.97 178.76 1rqs h GLY 74 N 0.17 0.38 1.52 2.80 0.00 0.18 0.77 103.07 108.89 1rqs h GLY 74 Ca 0.59 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1rqs h GLY 74 CO -0.16 0.42 -0.65 0.00 0.00 0.00 0.00 176.54 176.16 1rqs h ALA 75 N 1.10 0.72 -1.74 3.60 0.00 0.47 -3.43 119.26 119.99 1rqs h ALA 75 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rqs h ALA 75 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rqs h ALA 75 CO 0.10 0.28 0.00 0.25 0.00 0.00 0.00 179.25 179.88 1rqs n THR 76 N -2.96 0.00 0.00 0.00 -2.24 0.61 -5.07 114.28 104.62 1rqs n THR 76 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rqs n THR 76 Cb 0.63 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 3.66 1.93 3.77 3.38 0.00 0.27 -5.01 105.19 113.19 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 3.48 0.45 0.99 1.43 -1.26 -4.95 118.68 118.81 1rqs s LEU 78 Ca 0.00 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 54.89 1rqs s LEU 78 Cb 0.00 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.51 1.03 0.61 0.23 0.00 0.00 176.35 176.71 1rqs n GLY 79 N -0.41 -0.15 0.35 -3.19 0.00 -1.26 -4.56 105.19 95.98 1rqs n GLY 79 Ca 0.10 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 1.44 -0.74 0.39 0.99 6.46 -1.99 0.19 115.31 122.05 1rqs h LEU 80 Ca -0.46 0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1rqs h LEU 80 Cb 1.34 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 41.83 1rqs h LEU 80 CO 0.56 -0.34 -0.20 0.50 -0.62 0.00 0.00 178.44 178.34 1rqs h LYS 81 N 0.00 -0.52 -0.96 1.25 3.64 -1.99 -0.05 116.57 117.94 1rqs h LYS 81 Ca 0.53 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 60.18 1rqs h LYS 81 Cb 0.95 0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 1rqs h LYS 81 CO -0.99 -0.35 -0.07 0.93 -2.27 0.00 0.00 179.45 176.70 1rqs h GLU 82 N -0.54 0.01 -0.24 1.90 3.07 -1.34 0.79 114.58 118.23 1rqs h GLU 82 Ca -0.05 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1rqs h GLU 82 Cb 0.42 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1rqs h GLU 82 CO 0.08 0.01 0.14 0.00 -1.40 0.00 0.00 179.01 177.84 1rqs h ALA 83 N 1.95 0.31 0.13 3.43 0.00 -0.57 0.12 119.26 124.64 1rqs h ALA 83 Ca 0.53 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1rqs h ALA 83 Cb 0.99 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1rqs h ALA 83 CO -0.93 -0.16 -0.23 -0.22 0.00 0.00 0.00 179.25 177.71 1rqs h LYS 84 N 0.29 -0.42 -0.49 0.00 3.64 0.24 -1.57 116.57 118.25 1rqs h LYS 84 Ca 0.09 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1rqs h LYS 84 Cb 0.06 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1rqs h LYS 84 CO -0.01 -0.28 0.14 -0.44 -2.27 0.00 0.00 179.45 176.58 1rqs h ASP 85 N -0.44 0.10 -0.10 4.20 3.32 -0.43 0.18 116.42 123.25 1rqs h ASP 85 Ca 0.02 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1rqs h ASP 85 Cb 0.45 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1rqs h ASP 85 CO -0.12 0.08 -0.54 0.25 -1.72 0.00 0.00 179.24 177.19 1rqs h LEU 86 N 0.29 -1.71 -1.08 1.55 6.46 -0.41 0.64 115.31 121.05 1rqs h LEU 86 Ca 0.24 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.23 1rqs h LEU 86 Cb 0.29 0.66 -0.05 0.00 -0.73 0.00 0.00 40.66 40.83 1rqs h LEU 86 CO -0.28 -0.50 0.62 0.58 -0.62 0.00 0.00 178.44 178.25 1rqs h VAL 87 N -0.61 1.17 0.00 1.05 2.07 -0.65 0.75 116.25 120.03 1rqs h VAL 87 Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1rqs h VAL 87 Cb 0.69 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1rqs h VAL 87 CO -0.42 0.22 0.00 -0.62 0.02 0.00 0.00 177.57 176.77 1rqs n GLU 88 N -4.43 0.22 -0.76 1.57 -0.58 0.57 -2.03 120.64 115.19 1rqs n GLU 88 Ca 0.12 0.38 0.06 0.00 -0.42 0.00 0.00 57.16 57.30 1rqs n GLU 88 Cb 0.09 -1.87 0.35 0.00 -0.57 0.00 0.00 31.44 29.44 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 -2.26 5.01 -4.74 1.62 7.64 0.21 -4.99 113.62 116.10 1rqs n SER 89 Ca 0.03 -3.01 -0.37 0.00 1.01 0.00 0.00 58.87 56.54 1rqs n SER 89 Cb 0.28 -0.65 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 s ALA 90 N -2.83 2.53 0.58 -0.43 0.00 -0.86 -4.18 121.76 116.57 1rqs s ALA 90 Ca 0.51 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 1rqs s ALA 90 Cb 0.40 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1rqs s ALA 90 CO 0.13 -1.34 1.05 -1.25 0.00 0.00 0.00 175.76 174.34 1rqs s PRO 91 N -3.27 3.41 -0.07 0.00 0.04 -1.26 -5.09 135.00 128.76 1rqs s PRO 91 Ca 0.78 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 1rqs s PRO 91 Cb -0.35 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1rqs s PRO 91 CO 0.38 -0.74 0.62 0.00 0.04 0.00 0.00 177.00 177.30 1rqs s ALA 92 N -2.47 -1.60 0.23 8.56 0.00 -0.92 -5.01 121.76 120.56 1rqs s ALA 92 Ca 0.63 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 1rqs s ALA 92 Cb -0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1rqs s ALA 92 CO 0.36 -0.35 1.02 0.00 0.00 0.00 0.00 175.76 176.80 1rqs s ALA 93 N -1.02 3.36 -0.11 0.00 0.00 -1.26 -1.08 121.76 121.65 1rqs s ALA 93 Ca -0.10 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1rqs s ALA 93 Cb -0.01 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 1rqs s ALA 93 CO 0.08 -0.01 -0.00 1.28 0.00 0.00 0.00 175.76 177.11 1rqs n LEU 94 N 1.63 0.77 -3.84 0.00 4.32 -0.00 -4.92 117.00 114.96 1rqs n LEU 94 Ca -0.01 -0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.85 1rqs n LEU 94 Cb 0.46 0.07 -0.10 0.00 -1.62 0.00 0.00 43.42 42.23 1rqs n LEU 94 CO 0.52 0.37 -0.13 -0.54 -1.22 0.00 0.00 177.39 176.39 1rqs s LYS 95 N -2.25 0.49 -0.09 3.23 1.02 -0.93 -4.99 119.74 116.22 1rqs s LYS 95 Ca -0.08 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1rqs s LYS 95 Cb 0.03 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 1rqs s LYS 95 CO 0.38 -0.12 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.36 1rqs s GLU 96 N -1.20 1.88 -0.84 1.68 2.02 -1.26 -1.74 118.70 119.24 1rqs s GLU 96 Ca -0.13 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1rqs s GLU 96 Cb -0.06 -1.60 -0.00 0.00 0.10 0.00 0.00 34.13 32.56 1rqs s GLU 96 CO 0.02 -0.03 0.67 0.41 0.02 0.00 0.00 175.26 176.35 1rqs n GLY 97 N 4.06 -1.24 3.64 -1.39 0.00 -1.05 -4.95 105.19 104.26 1rqs n GLY 97 Ca -0.20 0.53 -0.23 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 -3.06 3.18 0.36 1.61 -7.23 0.69 -4.74 120.40 111.21 1rqs s VAL 98 Ca 0.07 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 1rqs s VAL 98 Cb -0.02 -2.80 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 1rqs s VAL 98 CO 0.83 -0.33 1.37 -1.54 -0.31 0.00 0.00 175.10 175.12 1rqs n SER 99 N -0.91 3.17 -0.19 4.85 3.41 -1.26 -1.91 113.62 120.79 1rqs n SER 99 Ca -0.06 1.22 -0.02 0.00 -0.26 0.00 0.00 58.87 59.75 1rqs n SER 99 Cb 0.60 -1.54 0.08 0.00 -0.26 0.00 0.00 64.21 63.09 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 2.71 0.47 -0.99 4.33 3.11 -1.92 -0.23 116.57 124.05 1rqs h LYS 100 Ca -0.48 -0.03 0.11 0.00 -2.81 0.00 0.00 60.65 57.44 1rqs h LYS 100 Cb 1.27 -0.11 -0.08 0.00 -1.00 0.00 0.00 32.23 32.31 1rqs h LYS 100 CO 0.63 0.31 0.63 -0.44 -2.81 0.00 0.00 179.45 177.77 1rqs h ASP 101 N 0.49 0.94 0.35 4.20 3.32 -1.97 0.18 116.42 123.92 1rqs h ASP 101 Ca 0.27 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.19 1rqs h ASP 101 Cb 0.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1rqs h ASP 101 CO -0.22 0.52 -0.69 0.44 -1.72 0.00 0.00 179.24 177.57 1rqs h ASP 102 N 1.02 0.36 0.03 6.45 5.19 -1.56 -0.68 116.42 127.23 1rqs h ASP 102 Ca 0.48 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1rqs h ASP 102 Cb 0.42 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1rqs h ASP 102 CO -0.24 0.94 -0.02 0.00 -3.12 0.00 0.00 179.24 176.80 1rqs h ALA 103 N 1.06 -0.04 0.00 3.45 0.00 0.82 -2.17 119.26 122.37 1rqs h ALA 103 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1rqs h ALA 103 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1rqs h ALA 103 CO 0.11 -0.37 -0.52 1.49 0.00 0.00 0.00 179.25 179.96 1rqs h GLU 104 N -0.35 0.00 0.11 0.00 4.81 -0.76 -0.34 114.58 118.05 1rqs h GLU 104 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rqs h GLU 104 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1rqs h GLU 104 CO 0.01 0.52 -0.05 0.00 -0.73 0.00 0.00 179.01 178.76 1rqs h ALA 105 N 1.48 -0.14 -0.33 2.92 0.00 -1.02 -0.12 119.26 122.04 1rqs h ALA 105 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1rqs h ALA 105 Cb 0.95 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rqs h ALA 105 CO 0.07 -0.44 -0.40 1.25 0.00 0.00 0.00 179.25 179.72 1rqs h LEU 106 N -0.41 0.86 -0.16 0.00 5.85 -1.34 -2.83 115.31 117.28 1rqs h LEU 106 Ca -0.01 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1rqs h LEU 106 Cb 0.34 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1rqs h LEU 106 CO 0.02 1.15 -0.06 0.50 -0.34 0.00 0.00 178.44 179.72 1rqs h LYS 107 N 0.66 -0.03 -0.81 1.25 3.64 -0.96 0.40 116.57 120.71 1rqs h LYS 107 Ca 0.05 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1rqs h LYS 107 Cb 0.97 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1rqs h LYS 107 CO 0.09 -0.02 0.46 0.87 -2.27 0.00 0.00 179.45 178.58 1rqs h LYS 108 N -0.03 0.75 -0.58 1.90 1.79 -0.93 0.34 116.57 119.81 1rqs h LYS 108 Ca 0.08 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 1rqs h LYS 108 Cb 0.15 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1rqs h LYS 108 CO -0.18 0.49 -0.03 0.00 -1.08 0.00 0.00 179.45 178.66 1rqs h ALA 109 N 1.46 0.78 -0.72 3.86 0.00 -1.03 0.45 119.26 124.05 1rqs h ALA 109 Ca 0.39 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1rqs h ALA 109 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rqs h ALA 109 CO -0.25 0.64 0.26 -0.07 0.00 0.00 0.00 179.25 179.82 1rqs h LEU 110 N 0.92 1.01 -0.46 0.00 3.38 0.17 -2.37 115.31 117.97 1rqs h LEU 110 Ca 0.16 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1rqs h LEU 110 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1rqs h LEU 110 CO 0.03 0.93 -0.36 -0.33 0.09 0.00 0.00 178.44 178.81 1rqs h GLU 111 N 1.04 0.89 -0.74 1.13 5.08 -0.13 -0.90 114.58 120.95 1rqs h GLU 111 Ca 0.24 -0.45 0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1rqs h GLU 111 Cb 0.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1rqs h GLU 111 CO -0.01 1.10 0.49 0.93 -1.00 0.00 0.00 179.01 180.51 1rqs h GLU 112 N 0.73 0.49 0.20 2.33 4.39 -0.52 -1.09 114.58 121.12 1rqs h GLU 112 Ca 0.07 -0.03 -0.32 0.00 0.34 0.00 0.00 59.36 59.42 1rqs h GLU 112 Cb 0.93 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1rqs h GLU 112 CO 0.09 0.33 -1.44 0.00 -1.16 0.00 0.00 179.01 176.82 1rqs h ALA 113 N 1.64 -0.02 0.00 3.43 0.00 -1.11 -3.49 119.26 119.72 1rqs h ALA 113 Ca 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rqs h ALA 113 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rqs h ALA 113 CO -0.12 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1rqs n GLY 114 N 1.67 0.66 3.28 0.00 0.00 -0.41 -4.77 105.19 105.62 1rqs n GLY 114 Ca -0.15 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.80 1.69 -0.28 4.61 0.00 -0.70 -4.04 121.76 122.25 1rqs s ALA 115 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 51.96 50.38 1rqs s ALA 115 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1rqs s ALA 115 CO 0.00 0.04 0.13 -2.00 0.00 0.00 0.00 175.76 173.94 1rqs s GLU 116 N -3.30 3.68 -0.02 0.00 2.12 0.46 -4.38 118.70 117.27 1rqs s GLU 116 Ca 0.16 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.09 1rqs s GLU 116 Cb -0.01 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1rqs s GLU 116 CO 0.04 -0.24 -0.24 0.08 -0.54 0.00 0.00 175.26 174.35 1rqs s VAL 117 N 1.67 1.93 -0.15 3.70 1.01 -1.26 -2.26 120.40 125.04 1rqs s VAL 117 Ca 0.06 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1rqs s VAL 117 Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1rqs s VAL 117 CO 0.07 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 175.04 1rqs s GLU 118 N -0.60 3.63 -0.20 2.72 2.56 -0.08 -4.95 118.70 121.79 1rqs s GLU 118 Ca 0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 54.97 54.63 1rqs s GLU 118 Cb -0.09 -3.05 -0.03 0.00 2.00 0.00 0.00 34.13 32.95 1rqs s GLU 118 CO -0.01 0.42 0.04 0.08 -0.56 0.00 0.00 175.26 175.23 1rqs s VAL 119 N -0.07 4.40 0.00 3.70 1.01 -1.26 -1.31 120.40 126.88 1rqs s VAL 119 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1rqs s VAL 119 Cb -0.12 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1rqs s VAL 119 CO 0.01 0.43 0.34 1.17 0.00 0.00 0.00 175.10 177.05