#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqy s SER 2 N 0.00 -0.36 0.03 1.61 1.04 -1.26 -5.18 113.70 109.58 2cqy s SER 2 Ca 0.00 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 2cqy s SER 2 Cb 0.00 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2cqy s SER 2 CO 0.00 -0.63 0.06 -0.55 0.98 0.00 0.00 173.24 173.10 2cqy s SER 3 N -1.74 0.21 -0.26 7.02 0.15 -1.26 -5.17 113.70 112.66 2cqy s SER 3 Ca -0.08 -0.56 -0.27 0.00 0.70 0.00 0.00 55.95 55.74 2cqy s SER 3 Cb -0.01 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.66 2cqy s SER 3 CO 0.01 -0.47 1.23 -0.83 1.20 0.00 0.00 173.24 174.38 2cqy s GLY 4 N -2.04 0.03 0.72 9.45 0.00 -1.26 -5.18 107.32 109.05 2cqy s GLY 4 Ca -0.06 2.82 -0.05 0.00 0.00 0.00 0.00 44.72 47.42 2cqy s GLY 4 CO -0.04 1.49 1.01 -0.56 0.00 0.00 0.00 173.10 175.00 2cqy s SER 5 N -0.47 4.56 -0.09 1.64 0.01 -1.26 -5.03 113.70 113.07 2cqy s SER 5 Ca 0.05 0.16 0.13 0.00 1.31 0.00 0.00 55.95 57.60 2cqy s SER 5 Cb -0.03 -0.71 0.25 0.00 0.21 0.00 0.00 66.02 65.74 2cqy s SER 5 CO -0.08 -1.73 1.12 -1.54 0.41 0.00 0.00 173.24 171.42 2cqy n SER 6 N -2.92 1.32 -1.34 2.44 3.41 -1.26 -5.10 113.62 110.17 2cqy n SER 6 Ca 0.11 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2cqy n SER 6 Cb 0.60 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2cqy n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqy n GLY 7 N -0.65 -4.57 3.62 5.00 0.00 -1.26 -5.09 105.19 102.24 2cqy n GLY 7 Ca 0.10 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2cqy n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cqy s ASP 8 N -1.78 -0.56 -0.29 1.61 1.47 -1.26 -5.17 116.67 110.69 2cqy s ASP 8 Ca 0.00 1.01 -0.16 0.00 1.18 0.00 0.00 52.55 54.58 2cqy s ASP 8 Cb 0.00 0.99 0.15 0.00 -0.34 0.00 0.00 42.92 43.73 2cqy s ASP 8 CO 0.00 -0.24 0.99 -1.59 0.68 0.00 0.00 175.17 175.01 2cqy s LYS 9 N 0.03 0.34 -0.02 2.11 -2.85 -1.26 -5.17 119.74 112.93 2cqy s LYS 9 Ca 0.00 0.65 0.01 0.00 -1.00 0.00 0.00 55.97 55.63 2cqy s LYS 9 Cb -0.04 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2cqy s LYS 9 CO -0.02 -0.08 -0.03 0.42 0.10 0.00 0.00 175.35 175.74 2cqy s ILE 10 N 1.57 0.33 0.02 3.79 1.09 -1.26 -5.15 121.20 121.59 2cqy s ILE 10 Ca -0.08 -0.11 -0.28 0.00 -1.10 0.00 0.00 60.65 59.09 2cqy s ILE 10 Cb -0.04 -0.32 0.09 0.00 -1.06 0.00 0.00 42.46 41.12 2cqy s ILE 10 CO -0.15 0.13 0.77 -1.83 -0.10 0.00 0.00 174.94 173.75 2cqy s GLU 11 N 0.32 0.98 0.17 2.79 4.04 -1.26 -5.19 118.70 120.56 2cqy s GLU 11 Ca -0.03 -0.18 -0.24 0.00 0.04 0.00 0.00 54.97 54.56 2cqy s GLU 11 Cb -0.07 0.46 0.06 0.00 0.02 0.00 0.00 34.13 34.60 2cqy s GLU 11 CO -0.00 -0.39 0.79 -1.12 -1.84 0.00 0.00 175.26 172.69 2cqy s SER 12 N -2.12 -0.33 0.09 0.83 0.01 -1.26 -5.19 113.70 105.74 2cqy s SER 12 Ca -0.00 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2cqy s SER 12 Cb -0.01 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2cqy s SER 12 CO -0.05 -1.02 -0.06 -1.59 0.41 0.00 0.00 173.24 170.94 2cqy s LYS 13 N -3.57 0.78 -0.30 12.44 0.00 -1.26 -5.14 119.74 122.69 2cqy s LYS 13 Ca 0.08 -1.31 -0.10 0.00 0.00 0.00 0.00 55.97 54.64 2cqy s LYS 13 Cb -0.03 -0.11 0.18 0.00 0.00 0.00 0.00 37.83 37.87 2cqy s LYS 13 CO -0.02 -0.04 0.96 -1.17 0.00 0.00 0.00 175.35 175.08 2cqy s LEU 14 N -3.02 -0.64 -0.48 2.77 0.20 -1.26 -5.12 118.68 111.14 2cqy s LEU 14 Ca 0.11 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.31 2cqy s LEU 14 Cb 0.06 1.53 0.13 0.00 -0.43 0.00 0.00 46.19 47.47 2cqy s LEU 14 CO -0.06 -0.12 0.24 -0.76 -0.29 0.00 0.00 176.35 175.36 2cqy s LEU 15 N 2.93 4.84 -0.93 -0.68 2.01 -1.26 -5.03 118.68 120.56 2cqy s LEU 15 Ca 0.05 -2.57 -0.14 0.00 0.01 0.00 0.00 54.13 51.48 2cqy s LEU 15 Cb -0.11 -1.73 0.21 0.00 0.01 0.00 0.00 46.19 44.58 2cqy s LEU 15 CO -0.14 -0.36 0.94 0.00 1.01 0.00 0.00 176.35 177.80 2cqy s ALA 16 N 0.34 4.10 0.54 4.21 0.00 -1.26 -4.86 121.76 124.83 2cqy s ALA 16 Ca 0.14 -3.35 0.21 0.00 0.00 0.00 0.00 51.96 48.96 2cqy s ALA 16 Cb -0.22 -3.66 1.47 0.00 0.00 0.00 0.00 23.12 20.71 2cqy s ALA 16 CO -0.04 -2.41 2.18 1.57 0.00 0.00 0.00 175.76 177.06 2cqy h LYS 17 N 7.68 0.00 -5.04 0.00 5.09 -2.07 -3.39 116.57 118.84 2cqy h LYS 17 Ca 0.15 0.00 -0.64 0.00 0.09 0.00 0.00 60.65 60.24 2cqy h LYS 17 Cb 0.99 0.00 -0.21 0.00 0.10 0.00 0.00 32.23 33.11 2cqy h LYS 17 CO 0.90 0.01 -0.62 -1.59 -2.09 0.00 0.00 179.45 176.06 2cqy s LYS 18 N -4.86 3.71 -0.50 0.07 -2.85 -1.26 -5.05 119.74 109.00 2cqy s LYS 18 Ca -0.05 -0.46 0.03 0.00 -1.00 0.00 0.00 55.97 54.50 2cqy s LYS 18 Cb 0.16 -3.27 0.15 0.00 -2.06 0.00 0.00 37.83 32.82 2cqy s LYS 18 CO 0.62 -0.06 0.33 0.00 0.10 0.00 0.00 175.35 176.34 2cqy s ALA 19 N 1.27 2.45 -0.27 0.59 0.00 -1.26 -5.07 121.76 119.47 2cqy s ALA 19 Ca 0.05 -2.91 -0.26 0.00 0.00 0.00 0.00 51.96 48.84 2cqy s ALA 19 Cb -0.15 -1.90 0.16 0.00 0.00 0.00 0.00 23.12 21.23 2cqy s ALA 19 CO 0.03 -2.05 1.24 -1.83 0.00 0.00 0.00 175.76 173.15 2cqy s GLU 20 N -0.20 0.27 0.44 0.00 -1.05 -1.26 -5.04 118.70 111.86 2cqy s GLU 20 Ca 0.23 0.24 -0.05 0.00 -0.15 0.00 0.00 54.97 55.24 2cqy s GLU 20 Cb -0.13 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.65 2cqy s GLU 20 CO -0.09 -0.05 0.73 0.54 0.95 0.00 0.00 175.26 177.35 2cqy s VAL 21 N -0.20 4.93 -0.20 1.83 0.11 -1.26 -5.03 120.40 120.57 2cqy s VAL 21 Ca 0.05 0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 2cqy s VAL 21 Cb -0.04 -3.84 -0.19 0.00 -1.53 0.00 0.00 36.38 30.78 2cqy s VAL 21 CO -0.09 -0.73 0.12 -0.46 -3.33 0.00 0.00 175.10 170.61 2cqy n ASN 22 N -1.98 1.95 -4.56 3.54 0.23 -1.26 -5.02 115.26 108.16 2cqy n ASN 22 Ca -0.00 0.32 -0.31 0.00 -0.53 0.00 0.00 54.58 54.06 2cqy n ASN 22 Cb 0.55 -0.88 -0.06 0.00 -2.08 0.00 0.00 39.78 37.30 2cqy n ASN 22 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2cqy n THR 23 N -4.11 0.00 -1.62 5.53 -2.24 -1.26 -5.09 114.28 105.49 2cqy n THR 23 Ca -0.37 -2.29 -0.46 0.00 -2.27 0.00 0.00 64.05 58.66 2cqy n THR 23 Cb 0.82 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 2cqy n THR 23 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2cqy n ILE 24 N -1.22 1.22 0.90 2.28 5.41 -1.26 -4.83 119.36 121.87 2cqy n ILE 24 Ca -0.20 -0.30 0.08 0.00 1.00 0.00 0.00 62.75 63.32 2cqy n ILE 24 Cb 0.61 -1.16 0.44 0.00 -0.71 0.00 0.00 39.64 38.83 2cqy n ILE 24 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2cqy n PRO 25 N 1.56 0.41 -3.23 0.38 -0.04 -1.26 -4.92 135.00 127.90 2cqy n PRO 25 Ca 0.12 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2cqy n PRO 25 Cb 0.29 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2cqy n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqy n GLY 26 N -0.02 -0.26 3.61 0.55 0.00 -1.26 -4.91 105.19 102.90 2cqy n GLY 26 Ca 0.10 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2cqy n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqy s PHE 27 N -2.99 -0.40 0.00 1.61 5.36 -1.25 -4.96 117.98 115.35 2cqy s PHE 27 Ca 0.00 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 2cqy s PHE 27 Cb 0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2cqy s PHE 27 CO 0.00 -0.26 0.00 -0.25 -1.46 0.00 0.00 175.22 173.25 2cqy n ASP 28 N 1.52 2.13 -4.50 6.13 8.00 -1.26 -4.47 116.55 124.09 2cqy n ASP 28 Ca -0.11 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.04 2cqy n ASP 28 Cb 0.57 0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 41.62 2cqy n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cqy n GLY 29 N 2.04 -0.48 3.48 0.44 0.00 -1.26 -4.75 105.19 104.65 2cqy n GLY 29 Ca 0.00 0.79 -0.49 0.00 0.00 0.00 0.00 46.02 46.32 2cqy n GLY 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cqy n VAL 30 N 6.89 1.58 -1.92 1.61 3.14 -1.26 -4.90 118.33 123.46 2cqy n VAL 30 Ca 0.66 -0.39 -0.33 0.00 -2.96 0.00 0.00 64.34 61.32 2cqy n VAL 30 Cb 0.07 -0.34 0.03 0.00 -1.06 0.00 0.00 33.84 32.54 2cqy n VAL 30 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2cqy s VAL 31 N -0.76 3.48 -0.18 1.55 1.01 -1.20 -4.94 120.40 119.36 2cqy s VAL 31 Ca 0.68 0.71 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2cqy s VAL 31 Cb -0.91 -3.24 -0.16 0.00 0.00 0.00 0.00 36.38 32.07 2cqy s VAL 31 CO 0.56 -0.40 -0.07 0.29 0.00 0.00 0.00 175.10 175.48 2cqy n LYS 32 N -2.15 0.93 -3.46 2.72 4.76 -1.26 -4.51 118.16 115.19 2cqy n LYS 32 Ca 0.10 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 2cqy n LYS 32 Cb 0.52 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.27 2cqy n LYS 32 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2cqy s ASP 33 N -5.48 -0.60 0.26 4.39 1.47 -1.26 -5.01 116.67 110.44 2cqy s ASP 33 Ca -0.18 0.29 -0.11 0.00 1.18 0.00 0.00 52.55 53.73 2cqy s ASP 33 Cb 0.06 0.57 0.39 0.00 -0.34 0.00 0.00 42.92 43.60 2cqy s ASP 33 CO 0.55 -0.82 1.56 0.00 0.68 0.00 0.00 175.17 177.14 2cqy h ALA 34 N 2.41 0.50 -0.79 2.11 0.00 -1.93 0.78 119.26 122.34 2cqy h ALA 34 Ca -0.31 0.35 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2cqy h ALA 34 Cb 1.24 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 19.77 2cqy h ALA 34 CO 0.38 -0.46 0.37 0.93 0.00 0.00 0.00 179.25 180.48 2cqy h GLU 35 N -0.00 0.53 -0.58 0.00 5.08 -1.98 -0.17 114.58 117.46 2cqy h GLU 35 Ca 0.44 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 2cqy h GLU 35 Cb 0.68 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2cqy h GLU 35 CO -1.01 0.35 0.01 1.49 -1.00 0.00 0.00 179.01 178.86 2cqy h GLU 36 N 0.55 1.00 -0.20 2.33 4.57 0.10 -2.65 114.58 120.28 2cqy h GLU 36 Ca 0.42 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2cqy h GLU 36 Cb 0.59 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2cqy h GLU 36 CO -0.36 0.97 -0.06 0.00 -1.18 0.00 0.00 179.01 178.38 2cqy h ALA 37 N 1.08 1.53 -0.02 2.92 0.00 0.47 -2.12 119.26 123.12 2cqy h ALA 37 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2cqy h ALA 37 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cqy h ALA 37 CO 0.03 0.34 -0.01 0.28 0.00 0.00 0.00 179.25 179.89 2cqy h VAL 38 N 0.30 1.30 0.17 0.00 2.07 -0.87 -1.65 116.25 117.56 2cqy h VAL 38 Ca 0.07 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2cqy h VAL 38 Cb 0.30 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2cqy h VAL 38 CO 0.01 0.24 -0.12 0.03 0.02 0.00 0.00 177.57 177.75 2cqy h ARG 39 N -0.32 -0.28 -0.36 1.57 3.08 -1.32 -1.68 114.38 115.07 2cqy h ARG 39 Ca 0.01 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2cqy h ARG 39 Cb 0.39 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 2cqy h ARG 39 CO 0.00 -0.18 0.07 0.82 -1.07 0.00 0.00 179.97 179.61 2cqy h ILE 40 N -0.29 0.82 0.01 2.04 2.04 -1.44 -2.62 117.51 118.07 2cqy h ILE 40 Ca -0.01 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2cqy h ILE 40 Cb 0.25 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2cqy h ILE 40 CO 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 178.15 177.93 2cqy h ALA 41 N 1.27 -0.36 -1.05 1.87 0.00 -1.09 -1.12 119.26 118.77 2cqy h ALA 41 Ca 0.17 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.35 2cqy h ALA 41 Cb 0.20 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 2cqy h ALA 41 CO -0.23 -0.76 0.67 0.00 0.00 0.00 0.00 179.25 178.93 2cqy h ARG 42 N -0.40 0.39 -0.28 0.00 3.08 -0.98 0.22 114.38 116.41 2cqy h ARG 42 Ca 0.06 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2cqy h ARG 42 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2cqy h ARG 42 CO -0.23 0.26 -0.16 0.93 -1.07 0.00 0.00 179.97 179.71 2cqy h GLU 43 N 0.40 0.60 -0.57 0.04 5.08 -0.88 -3.15 114.58 116.10 2cqy h GLU 43 Ca 0.62 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2cqy h GLU 43 Cb 1.53 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 2cqy h GLU 43 CO -0.33 0.85 0.01 0.82 -1.00 0.00 0.00 179.01 179.35 2cqy h ILE 44 N 0.33 1.26 0.00 3.13 2.04 0.11 -3.41 117.51 120.97 2cqy h ILE 44 Ca 0.06 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2cqy h ILE 44 Cb 0.68 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2cqy h ILE 44 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.20 2cqy n GLY 45 N -0.51 0.97 3.74 5.37 0.00 0.30 -4.68 105.19 110.38 2cqy n GLY 45 Ca 0.03 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2cqy n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cqy s TYR 46 N 0.00 2.21 0.70 1.61 2.02 -1.26 -4.41 117.35 118.23 2cqy s TYR 46 Ca 0.00 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.14 2cqy s TYR 46 Cb 0.00 -3.43 0.02 0.00 -0.40 0.00 0.00 41.96 38.16 2cqy s TYR 46 CO 0.00 -2.38 1.10 -1.25 -1.57 0.00 0.00 175.55 171.45 2cqy s PRO 47 N -3.82 2.58 -0.07 -1.71 0.04 -1.26 -5.02 135.00 125.74 2cqy s PRO 47 Ca 0.74 1.30 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2cqy s PRO 47 Cb -0.28 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.35 2cqy s PRO 47 CO 0.42 -1.41 -0.07 0.14 0.04 0.00 0.00 177.00 176.12 2cqy s VAL 48 N -2.57 0.79 0.26 -0.36 -7.23 0.04 -2.59 120.40 108.75 2cqy s VAL 48 Ca 0.65 -0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 60.40 2cqy s VAL 48 Cb -0.19 -0.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 2cqy s VAL 48 CO 0.47 0.30 0.75 -0.32 -0.31 0.00 0.00 175.10 175.99 2cqy s MET 49 N 1.14 4.21 -0.14 4.82 1.75 0.12 -1.29 119.30 129.91 2cqy s MET 49 Ca -0.07 0.86 0.01 0.00 -1.25 0.00 0.00 55.69 55.24 2cqy s MET 49 Cb -0.14 -2.72 0.02 0.00 2.84 0.00 0.00 34.83 34.83 2cqy s MET 49 CO -0.01 0.31 -0.15 0.42 -0.65 0.00 0.00 175.02 174.94 2cqy s ILE 50 N -1.68 1.58 0.49 10.11 1.01 -0.19 -1.29 121.20 131.22 2cqy s ILE 50 Ca 0.47 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2cqy s ILE 50 Cb -0.15 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2cqy s ILE 50 CO 0.20 0.46 0.08 -0.54 0.00 0.00 0.00 174.94 175.14 2cqy s LYS 51 N 1.41 2.17 -0.38 2.79 3.01 -0.50 -2.80 119.74 125.44 2cqy s LYS 51 Ca 0.03 -2.24 -0.15 0.00 -1.01 0.00 0.00 55.97 52.61 2cqy s LYS 51 Cb -0.13 -1.68 0.01 0.00 -1.01 0.00 0.00 37.83 35.01 2cqy s LYS 51 CO -0.09 -0.32 0.30 0.00 0.51 0.00 0.00 175.35 175.74 2cqy s ALA 52 N -2.80 3.48 0.23 5.17 0.00 -1.26 0.11 121.76 126.69 2cqy s ALA 52 Ca 0.19 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2cqy s ALA 52 Cb 0.03 -2.83 0.37 0.00 0.00 0.00 0.00 23.12 20.69 2cqy s ALA 52 CO 0.10 -1.28 1.63 1.03 0.00 0.00 0.00 175.76 177.24 2cqy h SER 53 N 8.58 -0.42 -0.94 0.00 0.87 0.87 1.68 113.55 124.19 2cqy h SER 53 Ca -0.29 0.19 0.22 0.00 -1.23 0.00 0.00 61.79 60.69 2cqy h SER 53 Cb 1.13 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 63.38 2cqy h SER 53 CO 0.70 -0.18 0.62 0.00 -0.53 0.00 0.00 176.83 177.44 2cqy h ALA 54 N 1.68 2.28 -1.11 6.23 0.00 -1.85 -3.40 119.26 123.09 2cqy h ALA 54 Ca 0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2cqy h ALA 54 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cqy h ALA 54 CO -0.66 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 178.41 2cqy n GLY 55 N -1.53 -0.03 1.64 0.00 0.00 0.16 -4.98 105.19 100.46 2cqy n GLY 55 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2cqy n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 56 N 2.26 -4.71 0.80 -0.02 0.00 0.52 -4.87 105.19 99.18 2cqy n GLY 56 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2cqy n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 57 N -0.80 -1.16 0.00 -0.02 0.00 -1.26 -4.93 105.19 97.03 2cqy n GLY 57 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2cqy n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 58 N -0.24 0.90 3.06 -0.02 0.00 -1.26 -5.06 105.19 102.56 2cqy n GLY 58 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2cqy n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqy s LYS 59 N 0.00 2.99 0.00 1.61 2.20 -1.26 -4.58 119.74 120.70 2cqy s LYS 59 Ca 0.00 -3.18 0.00 0.00 -0.36 0.00 0.00 55.97 52.43 2cqy s LYS 59 Cb 0.00 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2cqy s LYS 59 CO 0.00 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.15 2cqy n GLY 60 N 2.42 2.42 1.78 5.54 0.00 -1.26 -5.15 105.19 110.95 2cqy n GLY 60 Ca 0.19 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2cqy n GLY 60 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqy n MET 61 N 0.00 -2.95 -4.28 1.61 0.00 -1.26 -5.03 117.12 105.21 2cqy n MET 61 Ca 0.00 -0.73 -0.26 0.00 0.00 0.00 0.00 57.70 56.72 2cqy n MET 61 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 33.22 32.12 2cqy n MET 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 2cqy s ARG 62 N -3.79 2.18 0.05 3.17 3.52 -1.12 -5.03 118.95 117.93 2cqy s ARG 62 Ca 0.33 -1.29 0.06 0.00 -0.13 0.00 0.00 55.73 54.70 2cqy s ARG 62 Cb -0.06 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 2cqy s ARG 62 CO 0.28 0.42 -0.16 0.42 -0.81 0.00 0.00 175.30 175.45 2cqy s ILE 63 N -1.89 1.27 0.14 4.11 1.01 -1.26 -1.02 121.20 123.55 2cqy s ILE 63 Ca 0.27 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.84 2cqy s ILE 63 Cb -0.08 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2cqy s ILE 63 CO 0.17 -0.03 -0.19 0.00 0.00 0.00 0.00 174.94 174.90 2cqy s ALA 64 N -0.98 1.87 -0.00 9.38 0.00 -0.41 -4.92 121.76 126.70 2cqy s ALA 64 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2cqy s ALA 64 Cb -0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2cqy s ALA 64 CO 0.02 0.26 0.00 0.91 0.00 0.00 0.00 175.76 176.95 2cqy n TRP 65 N 0.59 0.00 -3.92 0.00 7.02 -1.26 -0.78 117.44 119.09 2cqy n TRP 65 Ca -0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.23 2cqy n TRP 65 Cb 0.56 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.37 2cqy n TRP 65 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2cqy s ASP 66 N -1.71 0.08 0.24 -0.99 1.01 -1.26 -4.73 116.67 109.31 2cqy s ASP 66 Ca -0.00 -0.78 -0.12 0.00 0.71 0.00 0.00 52.55 52.35 2cqy s ASP 66 Cb 0.00 0.39 0.31 0.00 1.01 0.00 0.00 42.92 44.63 2cqy s ASP 66 CO 0.01 -0.82 1.59 -2.24 0.21 0.00 0.00 175.17 173.92 2cqy h ASP 67 N 2.64 -0.84 -0.64 0.27 2.03 -1.97 0.35 116.42 118.26 2cqy h ASP 67 Ca -0.33 0.25 0.12 0.00 -0.73 0.00 0.00 57.03 56.34 2cqy h ASP 67 Cb 1.22 0.53 -0.09 0.00 -0.83 0.00 0.00 39.33 40.15 2cqy h ASP 67 CO 0.52 -0.27 0.17 1.05 -1.03 0.00 0.00 179.24 179.67 2cqy h GLU 68 N -0.02 0.29 -0.25 4.15 4.11 -2.00 -1.54 114.58 119.31 2cqy h GLU 68 Ca 0.37 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.72 2cqy h GLU 68 Cb 0.59 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2cqy h GLU 68 CO -0.83 0.19 -0.10 0.93 0.07 0.00 0.00 179.01 179.27 2cqy h GLU 69 N 0.30 0.52 -0.29 1.06 5.08 -0.88 -2.48 114.58 117.89 2cqy h GLU 69 Ca 0.34 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2cqy h GLU 69 Cb 0.51 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2cqy h GLU 69 CO -0.41 0.76 -0.38 1.15 -1.00 0.00 0.00 179.01 179.14 2cqy h THR 70 N 0.25 0.18 0.62 1.13 2.02 0.31 0.27 112.91 117.70 2cqy h THR 70 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2cqy h THR 70 Cb 0.59 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2cqy h THR 70 CO 0.03 0.00 -0.30 0.03 0.37 0.00 0.00 175.52 175.65 2cqy h ARG 71 N -0.36 -0.81 -1.21 6.66 3.08 -1.36 0.47 114.38 120.85 2cqy h ARG 71 Ca 0.13 0.05 0.39 0.00 0.07 0.00 0.00 59.98 60.62 2cqy h ARG 71 Cb 0.58 0.18 -0.12 0.00 0.08 0.00 0.00 29.97 30.68 2cqy h ARG 71 CO -0.48 -0.54 0.77 -0.44 -1.07 0.00 0.00 179.97 178.21 2cqy h ASP 72 N -0.85 0.32 0.71 7.04 3.32 -1.28 0.72 116.42 126.39 2cqy h ASP 72 Ca -0.09 0.13 -0.26 0.00 0.02 0.00 0.00 57.03 56.84 2cqy h ASP 72 Cb 0.64 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2cqy h ASP 72 CO 0.14 -0.13 -1.25 1.23 -1.72 0.00 0.00 179.24 177.51 2cqy h GLY 73 N 0.17 0.18 1.43 2.75 0.00 -0.17 -3.23 103.07 104.20 2cqy h GLY 73 Ca 0.76 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 2cqy h GLY 73 CO -0.42 0.41 -0.28 -2.75 0.00 0.00 0.00 176.54 173.50 2cqy h PHE 74 N 0.04 0.74 -0.17 5.60 3.04 0.52 0.17 116.94 126.89 2cqy h PHE 74 Ca -0.13 -0.18 -0.08 0.00 3.98 0.00 0.00 57.97 61.56 2cqy h PHE 74 Cb 1.92 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.24 2cqy h PHE 74 CO 0.04 0.86 -0.26 0.00 -2.02 0.00 0.00 178.31 176.93 2cqy h ARG 75 N 0.56 0.32 0.00 1.11 3.08 -0.95 -1.99 114.38 116.51 2cqy h ARG 75 Ca 0.07 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2cqy h ARG 75 Cb 0.77 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2cqy h ARG 75 CO 0.06 0.56 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.20 2cqy h LEU 76 N 0.28 0.00 -1.79 3.04 3.38 -1.53 -3.28 115.31 115.42 2cqy h LEU 76 Ca 0.04 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.99 2cqy h LEU 76 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2cqy h LEU 76 CO 0.04 0.70 0.52 0.77 0.09 0.00 0.00 178.44 180.56 2cqy h SER 77 N -1.00 0.00 -0.00 -0.43 4.64 -0.74 0.12 113.55 116.13 2cqy h SER 77 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2cqy h SER 77 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2cqy h SER 77 CO -0.01 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 176.71 2cqy h SER 78 N 0.00 0.01 -0.97 4.97 4.64 -1.48 -3.12 113.55 117.61 2cqy h SER 78 Ca 0.16 -0.57 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2cqy h SER 78 Cb 1.20 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2cqy h SER 78 CO -0.00 0.59 0.63 1.56 -0.87 0.00 0.00 176.83 178.73 2cqy h GLN 79 N -0.56 1.07 -0.35 4.77 4.20 -1.04 -0.02 115.11 123.18 2cqy h GLN 79 Ca 0.00 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.70 2cqy h GLN 79 Cb 0.58 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 2cqy h GLN 79 CO 0.00 0.71 0.07 0.93 -0.67 0.00 0.00 178.83 179.87 2cqy h GLU 80 N 1.10 0.19 -0.03 1.46 4.39 -1.50 -1.27 114.58 118.91 2cqy h GLU 80 Ca 0.43 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.99 2cqy h GLU 80 Cb 0.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2cqy h GLU 80 CO -0.18 0.12 -0.59 0.00 -1.16 0.00 0.00 179.01 177.20 2cqy h ALA 81 N 1.26 0.95 -0.66 3.43 0.00 -1.33 0.24 119.26 123.16 2cqy h ALA 81 Ca 0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2cqy h ALA 81 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2cqy h ALA 81 CO -0.22 0.73 0.28 0.00 0.00 0.00 0.00 179.25 180.04 2cqy h ALA 82 N 1.32 1.26 0.02 0.00 0.00 0.03 0.26 119.26 122.14 2cqy h ALA 82 Ca -0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 2cqy h ALA 82 Cb 1.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2cqy h ALA 82 CO 0.08 0.55 -1.62 0.45 0.00 0.00 0.00 179.25 178.71 2cqy n SER 83 N -4.32 1.92 0.00 0.00 2.88 -0.56 -2.96 113.62 110.58 2cqy n SER 83 Ca 0.06 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2cqy n SER 83 Cb 0.16 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2cqy n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqy n SER 84 N -4.24 0.00 -0.10 -3.46 7.64 0.85 -4.17 113.62 110.13 2cqy n SER 84 Ca -0.37 0.83 -0.21 0.00 1.01 0.00 0.00 58.87 60.13 2cqy n SER 84 Cb 0.78 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 2cqy n SER 84 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2cqy n PHE 85 N -1.99 1.00 0.00 1.43 3.01 -0.99 -5.03 117.46 114.89 2cqy n PHE 85 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.89 2cqy n PHE 85 Cb 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.40 2cqy n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cqy n GLY 86 N 1.44 2.26 3.97 1.37 0.00 0.04 -5.03 105.19 109.25 2cqy n GLY 86 Ca -0.31 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 2cqy n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqy s ASP 87 N 0.00 6.32 0.00 1.61 -1.08 -1.15 -4.49 116.67 117.89 2cqy s ASP 87 Ca 0.00 0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.39 2cqy s ASP 87 Cb 0.00 -1.88 0.44 0.00 -1.46 0.00 0.00 42.92 40.02 2cqy s ASP 87 CO 0.00 -0.09 1.38 -0.90 0.52 0.00 0.00 175.17 176.09 2cqy n ASP 88 N -1.41 1.98 -4.09 -0.34 5.75 -1.26 -1.55 116.55 115.62 2cqy n ASP 88 Ca -0.09 -1.52 -0.57 0.00 -0.01 0.00 0.00 54.79 52.60 2cqy n ASP 88 Cb 0.57 0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.71 2cqy n ASP 88 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cqy n ARG 89 N 0.28 0.00 -3.26 0.11 1.74 -1.26 -4.71 116.66 109.56 2cqy n ARG 89 Ca 0.13 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2cqy n ARG 89 Cb 0.46 -1.44 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2cqy n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cqy s LEU 90 N 5.81 3.17 0.06 0.55 1.43 -1.26 0.13 118.68 128.57 2cqy s LEU 90 Ca 1.16 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2cqy s LEU 90 Cb -1.44 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2cqy s LEU 90 CO 0.63 -1.10 0.07 -0.76 0.23 0.00 0.00 176.35 175.43 2cqy s LEU 91 N -4.46 1.99 -0.04 1.79 1.43 0.12 -3.21 118.68 116.29 2cqy s LEU 91 Ca 0.54 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2cqy s LEU 91 Cb -0.06 0.57 0.03 0.00 0.03 0.00 0.00 46.19 46.77 2cqy s LEU 91 CO 0.33 -0.63 0.06 -0.63 0.23 0.00 0.00 176.35 175.71 2cqy s ILE 92 N -3.69 -0.10 0.06 -0.59 1.01 -1.26 -1.41 121.20 115.23 2cqy s ILE 92 Ca 0.04 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2cqy s ILE 92 Cb 0.05 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 2cqy s ILE 92 CO -0.10 0.13 -0.12 -1.61 0.00 0.00 0.00 174.94 173.25 2cqy s GLU 93 N 1.68 0.73 0.25 2.79 0.41 -0.41 -3.87 118.70 120.28 2cqy s GLU 93 Ca -0.02 -0.90 -0.31 0.00 -0.41 0.00 0.00 54.97 53.34 2cqy s GLU 93 Cb -0.12 -0.67 -0.11 0.00 -1.78 0.00 0.00 34.13 31.45 2cqy s GLU 93 CO -0.03 0.14 1.61 0.21 -0.49 0.00 0.00 175.26 176.70 2cqy s LYS 94 N -1.70 4.15 -0.37 1.61 2.47 -1.26 -0.70 119.74 123.93 2cqy s LYS 94 Ca -0.04 2.54 -0.09 0.00 -1.56 0.00 0.00 55.97 56.81 2cqy s LYS 94 Cb -0.10 -3.06 0.04 0.00 -1.46 0.00 0.00 37.83 33.25 2cqy s LYS 94 CO 0.02 -0.65 0.19 0.12 0.16 0.00 0.00 175.35 175.19 2cqy s PHE 95 N 0.46 3.27 -0.21 4.03 2.19 -1.07 -4.75 117.98 121.90 2cqy s PHE 95 Ca 0.67 -1.20 0.01 0.00 0.33 0.00 0.00 56.93 56.74 2cqy s PHE 95 Cb -0.47 -2.50 0.04 0.00 -1.31 0.00 0.00 43.02 38.78 2cqy s PHE 95 CO 0.41 -0.71 -0.11 0.42 1.83 0.00 0.00 175.22 177.06 2cqy s ILE 96 N 1.49 1.72 0.31 3.12 1.01 -1.26 -4.40 121.20 123.17 2cqy s ILE 96 Ca 0.01 -1.09 0.10 0.00 0.00 0.00 0.00 60.65 59.68 2cqy s ILE 96 Cb -0.20 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.50 2cqy s ILE 96 CO 0.05 0.15 1.69 -0.78 0.00 0.00 0.00 174.94 176.05 2cqy h ASP 97 N 7.95 0.07 -2.96 3.58 3.58 -2.00 -3.43 116.42 123.20 2cqy h ASP 97 Ca -0.27 -0.03 -0.62 0.00 0.42 0.00 0.00 57.03 56.53 2cqy h ASP 97 Cb 1.09 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.07 2cqy h ASP 97 CO 0.48 0.56 -0.34 0.20 -2.88 0.00 0.00 179.24 177.26 2cqy s ASN 98 N -6.89 6.55 0.94 2.28 0.01 -1.26 -5.09 114.94 111.49 2cqy s ASN 98 Ca -0.03 0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 52.66 2cqy s ASN 98 Cb 0.13 -2.12 0.15 0.00 0.41 0.00 0.00 41.25 39.82 2cqy s ASN 98 CO 0.76 0.24 1.09 -2.16 -1.51 0.00 0.00 177.10 175.52 2cqy s PRO 99 N -1.73 0.90 0.35 -0.60 0.04 -1.26 -5.08 135.00 127.62 2cqy s PRO 99 Ca 0.28 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.87 2cqy s PRO 99 Cb -0.14 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2cqy s PRO 99 CO 0.16 -2.45 0.70 -0.98 0.04 0.00 0.00 177.00 174.46 2cqy s ARG 100 N -4.95 2.05 0.71 4.56 1.70 -1.26 -5.18 118.95 116.58 2cqy s ARG 100 Ca 0.64 -1.40 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 2cqy s ARG 100 Cb -0.18 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 34.84 2cqy s ARG 100 CO 0.57 -0.93 1.02 -3.38 -1.08 0.00 0.00 175.30 171.50 2cqy s HIS 101 N -2.85 2.95 -0.07 5.89 -3.43 -1.26 -5.10 115.29 111.43 2cqy s HIS 101 Ca 0.18 0.50 0.04 0.00 -0.80 0.00 0.00 55.06 54.98 2cqy s HIS 101 Cb -0.04 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.92 2cqy s HIS 101 CO 0.12 -1.40 -0.19 0.42 -2.00 0.00 0.00 174.74 171.69 2cqy s ILE 102 N -3.26 1.63 -0.05 -5.38 1.01 -1.26 -5.06 121.20 108.83 2cqy s ILE 102 Ca 0.60 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2cqy s ILE 102 Cb -0.11 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2cqy s ILE 102 CO 0.45 0.46 0.33 -1.28 0.00 0.00 0.00 174.94 174.90 2cqy h SER 103 N 6.51 -0.22 0.00 3.58 0.87 -1.98 -3.51 113.55 118.80 2cqy h SER 103 Ca -0.28 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2cqy h SER 103 Cb 1.20 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2cqy h SER 103 CO 0.47 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 2cqy n GLY 104 N 1.07 -0.97 0.00 5.77 0.00 -1.26 -4.98 105.19 104.82 2cqy n GLY 104 Ca -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 45.02 2cqy n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqy n PRO 105 N -0.09 0.49 -2.22 1.61 -0.04 -1.26 -4.77 135.00 128.71 2cqy n PRO 105 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2cqy n PRO 105 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 2cqy n PRO 105 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqy s SER 106 N -1.86 6.87 0.12 3.54 1.04 -1.26 -4.93 113.70 117.22 2cqy s SER 106 Ca 0.17 2.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.63 2cqy s SER 106 Cb 0.08 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2cqy s SER 106 CO 0.13 -0.67 1.50 0.77 0.98 0.00 0.00 173.24 175.94 2cqy h SER 107 N 7.41 0.80 0.00 7.02 4.64 -2.04 -3.51 113.55 127.87 2cqy h SER 107 Ca -0.40 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2cqy h SER 107 Cb 1.19 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2cqy h SER 107 CO 0.88 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.48