#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 -0.41 0.20 1.61 0.15 -1.26 -5.19 113.70 108.81 2cqy s SER 2 Ca 0.00 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.17 2cqy s SER 2 Cb 0.00 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2cqy s SER 2 CO 0.00 -0.26 0.33 -0.44 1.20 0.00 0.00 173.24 174.07 2cqy s SER 3 N -0.51 0.00 0.00 5.45 0.01 -1.26 -5.15 113.70 112.24 2cqy s SER 3 Ca 0.00 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2cqy s SER 3 Cb -0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2cqy s SER 3 CO -0.02 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2cqy n GLY 4 N -0.29 3.47 2.86 3.44 0.00 -1.26 -5.17 105.19 108.25 2cqy n GLY 4 Ca -0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2cqy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqy s SER 5 N 0.00 0.18 0.31 1.61 1.04 -1.26 -5.15 113.70 110.42 2cqy s SER 5 Ca 0.00 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 2cqy s SER 5 Cb 0.00 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2cqy s SER 5 CO 0.00 -0.03 0.67 -0.55 0.98 0.00 0.00 173.24 174.32 2cqy s SER 6 N 0.31 -0.05 0.00 7.02 0.15 -1.26 -5.16 113.70 114.71 2cqy s SER 6 Ca -0.03 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2cqy s SER 6 Cb -0.05 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2cqy s SER 6 CO -0.01 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.63 2cqy n GLY 7 N -0.47 0.69 3.70 9.45 0.00 -1.26 -5.01 105.19 112.28 2cqy n GLY 7 Ca -0.04 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 2cqy n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cqy n ASP 8 N 0.00 -1.35 -4.43 1.61 5.75 -1.26 -4.81 116.55 112.06 2cqy n ASP 8 Ca 0.00 -0.86 -0.44 0.00 -0.01 0.00 0.00 54.79 53.48 2cqy n ASP 8 Cb 0.00 -1.19 -0.05 0.00 -1.03 0.00 0.00 41.12 38.86 2cqy n ASP 8 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2cqy s LYS 9 N -5.62 3.12 -0.03 0.11 1.02 -1.26 -5.01 119.74 112.07 2cqy s LYS 9 Ca 0.59 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2cqy s LYS 9 Cb -0.35 -4.19 0.03 0.00 -0.52 0.00 0.00 37.83 32.80 2cqy s LYS 9 CO 0.73 -1.54 0.01 0.42 -0.92 0.00 0.00 175.35 174.05 2cqy s ILE 10 N 3.24 0.16 0.00 2.17 1.09 -1.26 -5.15 121.20 121.45 2cqy s ILE 10 Ca 0.18 0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.90 2cqy s ILE 10 Cb -0.19 -0.28 -0.03 0.00 -1.06 0.00 0.00 42.46 40.90 2cqy s ILE 10 CO 0.10 0.16 -0.15 -1.83 -0.10 0.00 0.00 174.94 173.12 2cqy s GLU 11 N 1.21 2.31 -0.30 2.79 1.03 -1.26 -5.11 118.70 119.37 2cqy s GLU 11 Ca -0.07 -0.83 -0.13 0.00 0.03 0.00 0.00 54.97 53.97 2cqy s GLU 11 Cb -0.13 -2.30 0.14 0.00 -0.80 0.00 0.00 34.13 31.03 2cqy s GLU 11 CO -0.02 0.58 0.79 -1.54 -1.33 0.00 0.00 175.26 173.74 2cqy s SER 12 N -1.15 -0.88 -0.34 0.83 1.04 -1.26 -5.13 113.70 106.81 2cqy s SER 12 Ca 0.14 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.83 2cqy s SER 12 Cb -0.11 1.87 0.10 0.00 0.10 0.00 0.00 66.02 67.99 2cqy s SER 12 CO 0.04 -0.18 0.10 -0.54 0.98 0.00 0.00 173.24 173.64 2cqy s LYS 13 N 2.43 1.06 -0.14 4.02 1.02 -1.26 -5.09 119.74 121.79 2cqy s LYS 13 Ca -0.06 -1.48 -0.29 0.00 0.02 0.00 0.00 55.97 54.16 2cqy s LYS 13 Cb -0.08 -2.46 0.09 0.00 -0.52 0.00 0.00 37.83 34.86 2cqy s LYS 13 CO -0.18 -0.99 0.82 -0.48 -0.92 0.00 0.00 175.35 173.60 2cqy s LEU 14 N 1.19 -0.56 -0.30 3.17 2.34 -1.26 -5.16 118.68 118.10 2cqy s LEU 14 Ca 0.11 0.74 -0.08 0.00 0.06 0.00 0.00 54.13 54.96 2cqy s LEU 14 Cb -0.19 2.25 0.15 0.00 -0.56 0.00 0.00 46.19 47.84 2cqy s LEU 14 CO -0.16 -0.43 0.66 -0.22 -1.06 0.00 0.00 176.35 175.15 2cqy s LEU 15 N -0.79 -1.16 0.37 1.48 1.98 -1.26 -5.17 118.68 114.14 2cqy s LEU 15 Ca -0.05 1.37 -0.13 0.00 -2.89 0.00 0.00 54.13 52.42 2cqy s LEU 15 Cb -0.01 2.23 0.04 0.00 0.66 0.00 0.00 46.19 49.11 2cqy s LEU 15 CO 0.04 -0.22 0.72 0.00 -1.89 0.00 0.00 176.35 175.01 2cqy s ALA 16 N 2.87 -0.46 -0.08 5.97 0.00 -1.26 -5.10 121.76 123.70 2cqy s ALA 16 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2cqy s ALA 16 Cb -0.12 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2cqy s ALA 16 CO -0.19 -0.95 -0.15 1.63 0.00 0.00 0.00 175.76 176.09 2cqy n LYS 17 N -0.54 0.24 -3.63 0.00 5.02 -1.26 -5.10 118.16 112.90 2cqy n LYS 17 Ca -0.06 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 2cqy n LYS 17 Cb 0.60 -0.92 -0.07 0.00 -0.02 0.00 0.00 35.03 34.63 2cqy n LYS 17 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2cqy s LYS 18 N -2.29 0.42 -0.50 1.97 -2.85 -1.26 -5.04 119.74 110.20 2cqy s LYS 18 Ca -0.15 0.41 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 2cqy s LYS 18 Cb 0.05 0.20 0.37 0.00 -2.06 0.00 0.00 37.83 36.39 2cqy s LYS 18 CO 0.20 -0.07 1.99 0.00 0.10 0.00 0.00 175.35 177.58 2cqy n ALA 19 N 1.82 5.71 -3.50 0.59 0.00 -1.26 -4.80 120.51 119.07 2cqy n ALA 19 Ca -0.11 -2.64 0.01 0.00 0.00 0.00 0.00 53.44 50.69 2cqy n ALA 19 Cb 0.56 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 2cqy n ALA 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cqy s GLU 20 N -2.92 0.51 -0.45 0.00 -1.05 -1.26 -5.03 118.70 108.49 2cqy s GLU 20 Ca 0.50 1.20 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 2cqy s GLU 20 Cb 0.39 0.71 0.42 0.00 -0.44 0.00 0.00 34.13 35.22 2cqy s GLU 20 CO 0.00 -0.25 1.90 1.33 0.95 0.00 0.00 175.26 179.20 2cqy n VAL 21 N 5.35 3.06 -0.02 1.83 0.24 -1.26 -4.51 118.33 123.02 2cqy n VAL 21 Ca -0.09 -2.04 -0.01 0.00 -2.04 0.00 0.00 64.34 60.16 2cqy n VAL 21 Cb 0.50 -0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 31.90 2cqy n VAL 21 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2cqy h ASN 22 N 1.38 0.00 -4.59 -1.34 2.35 -2.00 -3.50 115.58 107.88 2cqy h ASN 22 Ca 0.49 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.76 2cqy h ASN 22 Cb 1.51 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.77 2cqy h ASN 22 CO 1.10 0.24 -0.41 0.35 -1.65 0.00 0.00 177.43 177.05 2cqy n THR 23 N -3.04 0.00 -3.11 2.81 -2.24 -1.26 -5.12 114.28 102.32 2cqy n THR 23 Ca -0.02 -2.11 -0.39 0.00 -2.27 0.00 0.00 64.05 59.26 2cqy n THR 23 Cb 0.07 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 2cqy n THR 23 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cqy s ILE 24 N -2.95 4.75 -2.00 2.28 1.01 -1.26 -4.94 121.20 118.09 2cqy s ILE 24 Ca 0.21 1.44 0.11 0.00 0.00 0.00 0.00 60.65 62.41 2cqy s ILE 24 Cb 0.01 -4.02 0.31 0.00 0.01 0.00 0.00 42.46 38.77 2cqy s ILE 24 CO 0.15 0.43 1.09 -0.81 0.00 0.00 0.00 174.94 175.80 2cqy n PRO 25 N 2.48 0.49 0.00 2.79 -0.04 -1.26 -4.71 135.00 134.75 2cqy n PRO 25 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2cqy n PRO 25 Cb 0.50 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.01 4.59 3.10 0.55 0.00 -1.26 -4.89 105.19 107.27 2cqy n GLY 26 Ca 0.08 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.54 3.61 -0.55 1.61 5.36 -1.18 -4.98 117.98 120.32 2cqy s PHE 27 Ca 0.00 -2.51 -0.04 0.00 -0.96 0.00 0.00 56.93 53.41 2cqy s PHE 27 Cb 0.00 -3.18 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 2cqy s PHE 27 CO 0.00 -0.97 2.83 -0.25 -1.46 0.00 0.00 175.22 175.38 2cqy n ASP 28 N 4.52 6.59 -3.90 6.13 8.00 -1.26 -4.02 116.55 132.61 2cqy n ASP 28 Ca -0.01 -3.09 -0.30 0.00 0.71 0.00 0.00 54.79 52.10 2cqy n ASP 28 Cb 0.41 -1.28 -0.14 0.00 -0.02 0.00 0.00 41.12 40.09 2cqy n ASP 28 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2cqy s GLY 29 N 0.61 2.21 0.09 0.44 0.00 -1.26 -5.09 107.32 104.33 2cqy s GLY 29 Ca 0.60 -3.04 -0.25 0.00 0.00 0.00 0.00 44.72 42.02 2cqy s GLY 29 CO -0.17 1.14 0.57 -0.62 0.00 0.00 0.00 173.10 174.02 2cqy n VAL 30 N 3.31 0.89 -3.16 1.40 0.31 -1.26 -4.84 118.33 114.99 2cqy n VAL 30 Ca 0.06 -0.22 -0.35 0.00 -0.01 0.00 0.00 64.34 63.81 2cqy n VAL 30 Cb 0.33 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.20 2cqy n VAL 30 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cqy s VAL 31 N -0.45 4.64 -0.22 2.52 1.01 -1.21 -4.98 120.40 121.72 2cqy s VAL 31 Ca 0.57 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 2cqy s VAL 31 Cb -0.82 -3.79 -0.19 0.00 0.00 0.00 0.00 36.38 31.59 2cqy s VAL 31 CO 0.43 0.14 -0.06 0.29 0.00 0.00 0.00 175.10 175.90 2cqy n LYS 32 N 0.52 0.66 -3.89 2.72 4.76 -1.26 -4.47 118.16 117.20 2cqy n LYS 32 Ca -0.02 0.23 -0.09 0.00 -2.87 0.00 0.00 58.31 55.56 2cqy n LYS 32 Cb 0.52 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 2cqy n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cqy s ASP 33 N -6.84 0.14 0.21 4.39 1.01 -1.26 -5.05 116.67 109.26 2cqy s ASP 33 Ca -0.32 -0.57 -0.14 0.00 0.71 0.00 0.00 52.55 52.23 2cqy s ASP 33 Cb 0.09 0.29 0.22 0.00 1.01 0.00 0.00 42.92 44.53 2cqy s ASP 33 CO 0.63 -0.62 1.62 0.00 0.21 0.00 0.00 175.17 177.01 2cqy h ALA 34 N 3.19 0.37 -0.63 5.23 0.00 -1.93 -0.64 119.26 124.84 2cqy h ALA 34 Ca -0.33 0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2cqy h ALA 34 Cb 1.19 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 2cqy h ALA 34 CO 0.53 -0.45 -0.26 0.93 0.00 0.00 0.00 179.25 180.01 2cqy h GLU 35 N -0.02 -0.09 -0.60 0.00 4.39 -1.97 0.31 114.58 116.61 2cqy h GLU 35 Ca 0.29 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2cqy h GLU 35 Cb 0.47 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2cqy h GLU 35 CO -0.65 -0.06 0.32 1.49 -1.16 0.00 0.00 179.01 178.95 2cqy h GLU 36 N -0.09 0.82 -0.77 2.33 4.57 -1.57 -2.18 114.58 117.69 2cqy h GLU 36 Ca 0.28 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2cqy h GLU 36 Cb 0.53 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2cqy h GLU 36 CO -0.69 0.61 0.41 0.00 -1.18 0.00 0.00 179.01 178.16 2cqy h ALA 37 N 1.52 1.27 0.19 2.92 0.00 0.50 -1.72 119.26 123.94 2cqy h ALA 37 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2cqy h ALA 37 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2cqy h ALA 37 CO -0.03 0.59 -0.09 0.28 0.00 0.00 0.00 179.25 179.99 2cqy h VAL 38 N 1.08 0.90 -0.38 0.00 2.07 -0.52 -0.82 116.25 118.58 2cqy h VAL 38 Ca 0.27 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2cqy h VAL 38 Cb 0.05 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2cqy h VAL 38 CO -0.04 0.12 0.07 0.03 0.02 0.00 0.00 177.57 177.76 2cqy h ARG 39 N -0.52 0.18 -0.04 1.57 3.08 -1.35 -1.40 114.38 115.91 2cqy h ARG 39 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2cqy h ARG 39 Cb 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2cqy h ARG 39 CO 0.04 0.12 0.03 0.82 -1.07 0.00 0.00 179.97 179.91 2cqy h ILE 40 N 0.19 1.03 -0.13 2.04 2.04 -1.30 -2.88 117.51 118.51 2cqy h ILE 40 Ca 0.18 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2cqy h ILE 40 Cb 0.22 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2cqy h ILE 40 CO -0.25 0.03 -0.32 0.00 0.00 0.00 0.00 178.15 177.61 2cqy h ALA 41 N 0.99 -0.37 -0.96 1.87 0.00 -0.72 -0.88 119.26 119.18 2cqy h ALA 41 Ca 0.01 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.20 2cqy h ALA 41 Cb 0.02 0.61 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 2cqy h ALA 41 CO -0.00 -0.80 0.51 0.00 0.00 0.00 0.00 179.25 178.96 2cqy h ARG 42 N -0.40 0.44 -0.46 0.00 3.08 -1.17 0.25 114.38 116.12 2cqy h ARG 42 Ca 0.09 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2cqy h ARG 42 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2cqy h ARG 42 CO -0.35 0.29 0.13 0.93 -1.07 0.00 0.00 179.97 179.90 2cqy h GLU 43 N 0.46 0.73 -0.56 0.04 4.39 -0.97 -3.00 114.58 115.66 2cqy h GLU 43 Ca 0.63 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 60.11 2cqy h GLU 43 Cb 1.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2cqy h GLU 43 CO -0.53 0.70 0.12 0.82 -1.16 0.00 0.00 179.01 178.97 2cqy h ILE 44 N 0.61 1.25 0.00 3.13 2.04 0.17 -3.45 117.51 121.26 2cqy h ILE 44 Ca 0.15 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2cqy h ILE 44 Cb 0.29 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2cqy h ILE 44 CO -0.00 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.09 2cqy n GLY 45 N -0.60 0.52 3.51 5.37 0.00 0.14 -4.39 105.19 109.73 2cqy n GLY 45 Ca 0.03 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2cqy n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cqy n TYR 46 N 0.83 -0.40 -1.90 1.61 4.02 -1.26 -4.53 117.16 115.54 2cqy n TYR 46 Ca 0.00 0.36 -0.34 0.00 -0.01 0.00 0.00 57.90 57.92 2cqy n TYR 46 Cb 0.00 -1.96 0.03 0.00 -0.02 0.00 0.00 39.34 37.39 2cqy n TYR 46 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2cqy s PRO 47 N -2.94 2.97 -0.09 -0.72 0.04 -1.26 -5.01 135.00 127.98 2cqy s PRO 47 Ca 0.67 1.45 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2cqy s PRO 47 Cb -0.34 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.25 2cqy s PRO 47 CO 0.56 -1.13 -0.11 0.14 0.04 0.00 0.00 177.00 176.51 2cqy s VAL 48 N -2.18 1.13 0.35 -0.36 -7.23 0.85 -2.27 120.40 110.69 2cqy s VAL 48 Ca 0.69 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 2cqy s VAL 48 Cb -0.21 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 2cqy s VAL 48 CO 0.37 0.37 0.77 -0.32 -0.31 0.00 0.00 175.10 175.98 2cqy s MET 49 N 1.11 4.00 -0.14 4.82 1.75 0.67 -0.81 119.30 130.70 2cqy s MET 49 Ca -0.06 0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 55.07 2cqy s MET 49 Cb -0.14 -2.39 0.04 0.00 2.84 0.00 0.00 34.83 35.18 2cqy s MET 49 CO -0.02 0.10 -0.01 0.42 -0.65 0.00 0.00 175.02 174.86 2cqy s ILE 50 N -2.07 0.70 0.36 10.11 1.01 -0.69 -1.09 121.20 129.53 2cqy s ILE 50 Ca 0.55 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.92 2cqy s ILE 50 Cb -0.10 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 2cqy s ILE 50 CO 0.19 0.08 0.07 -0.54 0.00 0.00 0.00 174.94 174.74 2cqy s LYS 51 N 1.81 2.17 -0.50 2.79 3.01 -0.97 -3.21 119.74 124.84 2cqy s LYS 51 Ca 0.02 -1.73 -0.23 0.00 -1.01 0.00 0.00 55.97 53.01 2cqy s LYS 51 Cb -0.15 -1.98 0.04 0.00 -1.01 0.00 0.00 37.83 34.73 2cqy s LYS 51 CO -0.07 0.08 0.85 0.00 0.51 0.00 0.00 175.35 176.72 2cqy s ALA 52 N -2.52 3.24 0.42 5.17 0.00 -1.26 0.17 121.76 126.97 2cqy s ALA 52 Ca 0.37 -1.16 0.27 0.00 0.00 0.00 0.00 51.96 51.43 2cqy s ALA 52 Cb 0.01 -3.60 1.36 0.00 0.00 0.00 0.00 23.12 20.89 2cqy s ALA 52 CO 0.21 -2.15 1.63 1.03 0.00 0.00 0.00 175.76 176.47 2cqy h SER 53 N 9.14 0.29 -0.50 0.00 0.87 -0.48 0.70 113.55 123.57 2cqy h SER 53 Ca -0.26 0.16 -0.31 0.00 -1.23 0.00 0.00 61.79 60.15 2cqy h SER 53 Cb 1.08 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 63.06 2cqy h SER 53 CO 1.02 -0.20 0.33 0.00 -0.53 0.00 0.00 176.83 177.45 2cqy n ALA 54 N -2.46 5.30 0.00 6.23 0.00 -1.21 -4.35 120.51 124.02 2cqy n ALA 54 Ca 0.36 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2cqy n ALA 54 Cb 1.34 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2cqy n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqy n GLY 55 N 0.67 -0.22 0.00 0.00 0.00 0.22 -4.73 105.19 101.13 2cqy n GLY 55 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 1.00 2.42 -0.02 0.00 0.29 -4.37 105.19 104.51 2cqy n GLY 56 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 5.00 0.06 2.80 -0.02 0.00 -1.26 -2.41 105.19 109.36 2cqy n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.81 -0.33 3.21 -0.02 0.00 -1.26 -4.99 105.19 100.98 2cqy n GLY 58 Ca -0.21 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2cqy n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqy s LYS 59 N -4.64 2.64 -1.71 1.61 1.02 -1.01 -4.70 119.74 112.95 2cqy s LYS 59 Ca 0.13 -1.99 -0.14 0.00 0.02 0.00 0.00 55.97 53.98 2cqy s LYS 59 Cb -0.02 -3.96 0.14 0.00 -0.52 0.00 0.00 37.83 33.47 2cqy s LYS 59 CO 0.54 -1.20 0.49 0.41 -0.92 0.00 0.00 175.35 174.67 2cqy n GLY 60 N 4.54 -0.33 2.70 -3.33 0.00 -1.26 -4.93 105.19 102.59 2cqy n GLY 60 Ca -0.02 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.31 -0.15 -4.30 1.61 0.00 -1.26 -5.09 117.12 103.62 2cqy n MET 61 Ca -0.05 -1.78 -0.21 0.00 0.00 0.00 0.00 57.70 55.66 2cqy n MET 61 Cb 0.55 -0.59 -0.11 0.00 0.00 0.00 0.00 33.22 33.07 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 -4.47 1.18 0.05 3.17 3.52 -1.20 -5.06 118.95 116.14 2cqy s ARG 62 Ca 0.48 -1.32 0.09 0.00 -0.13 0.00 0.00 55.73 54.85 2cqy s ARG 62 Cb -0.02 -1.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.11 2cqy s ARG 62 CO 0.32 0.25 -0.25 0.42 -0.81 0.00 0.00 175.30 175.23 2cqy s ILE 63 N -1.90 2.04 0.08 4.11 1.01 -1.26 -1.70 121.20 123.58 2cqy s ILE 63 Ca 0.12 -1.37 0.09 0.00 0.00 0.00 0.00 60.65 59.49 2cqy s ILE 63 Cb -0.06 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2cqy s ILE 63 CO 0.05 0.31 -0.22 0.00 0.00 0.00 0.00 174.94 175.09 2cqy s ALA 64 N -0.82 2.49 -0.06 9.38 0.00 0.01 -4.96 121.76 127.80 2cqy s ALA 64 Ca 0.11 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2cqy s ALA 64 Cb -0.10 -0.59 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 2cqy s ALA 64 CO 0.02 0.56 0.17 0.91 0.00 0.00 0.00 175.76 177.43 2cqy n TRP 65 N 1.31 0.00 -3.96 0.00 7.02 -1.26 -0.11 117.44 120.45 2cqy n TRP 65 Ca -0.17 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.22 2cqy n TRP 65 Cb 0.52 -0.13 -0.07 0.00 -2.42 0.00 0.00 31.31 29.21 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 -2.60 0.05 0.23 -0.99 1.11 -1.26 -4.69 116.67 108.52 2cqy s ASP 66 Ca -0.02 -0.86 -0.12 0.00 0.18 0.00 0.00 52.55 51.74 2cqy s ASP 66 Cb 0.04 0.42 0.31 0.00 1.07 0.00 0.00 42.92 44.77 2cqy s ASP 66 CO 0.28 -0.88 1.61 -2.24 1.18 0.00 0.00 175.17 175.12 2cqy h ASP 67 N 2.57 -0.67 -0.80 0.27 2.03 -1.97 0.35 116.42 118.20 2cqy h ASP 67 Ca -0.32 0.22 0.15 0.00 -0.73 0.00 0.00 57.03 56.35 2cqy h ASP 67 Cb 1.23 0.45 -0.10 0.00 -0.83 0.00 0.00 39.33 40.08 2cqy h ASP 67 CO 0.49 -0.24 0.36 1.05 -1.03 0.00 0.00 179.24 179.87 2cqy h GLU 68 N 0.00 0.49 -0.13 4.15 4.11 -2.00 -0.09 114.58 121.12 2cqy h GLU 68 Ca 0.36 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.58 2cqy h GLU 68 Cb 0.55 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cqy h GLU 68 CO -0.76 0.33 -0.67 0.93 0.07 0.00 0.00 179.01 178.90 2cqy h GLU 69 N 0.51 0.52 -0.55 1.06 5.08 -0.88 -2.35 114.58 117.97 2cqy h GLU 69 Ca 0.44 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2cqy h GLU 69 Cb 0.67 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2cqy h GLU 69 CO -0.40 1.01 0.32 1.15 -1.00 0.00 0.00 179.01 180.10 2cqy h THR 70 N 0.38 1.04 0.07 1.13 2.02 0.11 0.47 112.91 118.14 2cqy h THR 70 Ca -0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2cqy h THR 70 Cb 1.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2cqy h THR 70 CO 0.12 0.12 -0.03 0.03 0.37 0.00 0.00 175.52 176.12 2cqy h ARG 71 N 0.64 -0.09 -0.49 6.66 3.08 -1.23 0.75 114.38 123.70 2cqy h ARG 71 Ca 0.22 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.31 2cqy h ARG 71 Cb 0.04 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2cqy h ARG 71 CO -0.11 0.39 0.32 -0.44 -1.07 0.00 0.00 179.97 179.07 2cqy h ASP 72 N -0.64 0.49 0.91 7.04 5.19 -1.31 -1.02 116.42 127.07 2cqy h ASP 72 Ca -0.01 -0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.17 2cqy h ASP 72 Cb 0.53 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 2cqy h ASP 72 CO 0.02 0.34 -1.11 1.23 -3.12 0.00 0.00 179.24 176.59 2cqy h GLY 73 N 0.57 0.02 1.78 2.75 0.00 -0.04 -3.11 103.07 105.03 2cqy h GLY 73 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 2cqy h GLY 73 CO -0.05 0.04 -0.60 -2.75 0.00 0.00 0.00 176.54 173.18 2cqy h PHE 74 N 0.00 0.30 -0.07 5.60 3.04 -0.11 0.80 116.94 126.50 2cqy h PHE 74 Ca -0.06 -0.11 -0.05 0.00 3.98 0.00 0.00 57.97 61.74 2cqy h PHE 74 Cb 1.82 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 40.27 2cqy h PHE 74 CO 0.00 0.77 -0.14 0.00 -2.02 0.00 0.00 178.31 176.93 2cqy h ARG 75 N 0.17 0.21 -0.12 1.11 3.08 -1.29 -1.74 114.38 115.80 2cqy h ARG 75 Ca -0.01 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 2cqy h ARG 75 Cb 1.10 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2cqy h ARG 75 CO 0.09 0.73 -0.67 -0.07 -1.07 0.00 0.00 179.97 178.99 2cqy h LEU 76 N -0.28 0.56 -1.18 3.04 3.38 -1.57 -2.59 115.31 116.67 2cqy h LEU 76 Ca 0.00 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2cqy h LEU 76 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2cqy h LEU 76 CO 0.03 1.07 -0.38 0.28 0.09 0.00 0.00 178.44 179.53 2cqy h SER 77 N 0.35 0.00 0.07 -0.43 0.02 -0.89 -2.86 113.55 109.82 2cqy h SER 77 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2cqy h SER 77 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2cqy h SER 77 CO 0.12 0.38 -0.03 0.77 -1.14 0.00 0.00 176.83 176.93 2cqy h SER 78 N 0.00 -0.08 -0.84 3.07 4.64 -1.20 -3.13 113.55 116.01 2cqy h SER 78 Ca -0.00 -0.53 0.20 0.00 -0.47 0.00 0.00 61.79 60.98 2cqy h SER 78 Cb 0.75 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 2cqy h SER 78 CO 0.05 0.59 0.57 0.06 -0.87 0.00 0.00 176.83 177.23 2cqy h GLN 79 N -0.87 0.28 0.78 4.77 3.07 -1.47 0.12 115.11 121.79 2cqy h GLN 79 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.68 2cqy h GLN 79 Cb 0.61 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.11 2cqy h GLN 79 CO 0.02 0.18 -0.37 0.93 0.09 0.00 0.00 178.83 179.68 2cqy h GLU 80 N 0.29 -1.01 -0.51 0.06 5.08 -1.55 -2.72 114.58 114.22 2cqy h GLU 80 Ca 0.42 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 2cqy h GLU 80 Cb 1.21 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 2cqy h GLU 80 CO -0.12 -0.66 0.28 0.00 -1.00 0.00 0.00 179.01 177.51 2cqy h ALA 81 N -1.19 1.53 -0.52 3.43 0.00 -1.34 0.57 119.26 121.75 2cqy h ALA 81 Ca -0.11 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2cqy h ALA 81 Cb 0.81 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2cqy h ALA 81 CO 0.18 0.39 0.15 0.00 0.00 0.00 0.00 179.25 179.96 2cqy h ALA 82 N 1.60 0.62 0.00 0.00 0.00 0.20 -0.40 119.26 121.27 2cqy h ALA 82 Ca 0.18 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2cqy h ALA 82 Cb 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2cqy h ALA 82 CO -0.03 -0.26 -0.79 1.03 0.00 0.00 0.00 179.25 179.20 2cqy h SER 83 N 0.30 0.00 -0.13 0.00 0.87 -1.14 -2.45 113.55 111.00 2cqy h SER 83 Ca 0.26 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2cqy h SER 83 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2cqy h SER 83 CO -0.30 1.04 -0.08 -0.24 -0.53 0.00 0.00 176.83 176.72 2cqy n SER 84 N -4.55 -0.14 -0.12 6.23 2.88 0.20 -3.50 113.62 114.62 2cqy n SER 84 Ca -0.17 0.87 -0.26 0.00 -1.33 0.00 0.00 58.87 57.99 2cqy n SER 84 Cb 0.42 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.42 2cqy n SER 84 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2cqy n PHE 85 N -3.14 0.51 0.00 0.66 3.01 -0.95 -5.04 117.46 112.51 2cqy n PHE 85 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.67 2cqy n PHE 85 Cb 0.03 -1.05 0.00 0.00 -0.01 0.00 0.00 39.48 38.45 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 1.39 2.13 3.93 1.37 0.00 -0.20 -5.04 105.19 108.77 2cqy n GLY 86 Ca -0.44 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2cqy n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqy s ASP 87 N 0.00 6.21 -0.16 1.61 1.11 -1.13 -4.56 116.67 119.75 2cqy s ASP 87 Ca 0.00 0.10 0.16 0.00 0.18 0.00 0.00 52.55 53.00 2cqy s ASP 87 Cb 0.00 -1.83 0.75 0.00 1.07 0.00 0.00 42.92 42.91 2cqy s ASP 87 CO 0.00 0.03 1.65 -0.90 1.18 0.00 0.00 175.17 177.14 2cqy n ASP 88 N -0.67 5.04 -4.68 0.27 5.75 -1.26 -0.33 116.55 120.66 2cqy n ASP 88 Ca -0.07 -2.61 -0.43 0.00 -0.01 0.00 0.00 54.79 51.66 2cqy n ASP 88 Cb 0.55 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.94 2.70 -4.35 0.11 5.12 -1.26 -4.72 116.66 115.19 2cqy n ARG 89 Ca 0.26 0.98 -0.29 0.00 -1.93 0.00 0.00 57.85 56.88 2cqy n ARG 89 Cb 0.99 -2.88 -0.06 0.00 -1.16 0.00 0.00 32.46 29.35 2cqy n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2cqy s LEU 90 N 3.26 2.66 0.17 0.55 1.43 -1.26 0.12 118.68 125.61 2cqy s LEU 90 Ca 0.85 -1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2cqy s LEU 90 Cb -0.51 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2cqy s LEU 90 CO 0.41 -0.81 0.19 -0.76 0.23 0.00 0.00 176.35 175.61 2cqy s LEU 91 N -3.98 1.23 -0.14 1.79 1.43 0.45 -3.28 118.68 116.17 2cqy s LEU 91 Ca 0.25 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2cqy s LEU 91 Cb 0.02 0.78 0.07 0.00 0.03 0.00 0.00 46.19 47.09 2cqy s LEU 91 CO 0.14 -0.85 0.23 -0.63 0.23 0.00 0.00 176.35 175.47 2cqy s ILE 92 N -4.04 -0.36 0.12 -0.59 1.01 -1.26 -2.28 121.20 113.81 2cqy s ILE 92 Ca 0.24 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.15 2cqy s ILE 92 Cb 0.05 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2cqy s ILE 92 CO 0.04 0.04 -0.16 -1.61 0.00 0.00 0.00 174.94 173.24 2cqy s GLU 93 N 2.37 1.08 0.28 2.79 8.01 -0.25 -3.13 118.70 129.84 2cqy s GLU 93 Ca 0.03 -1.23 -0.30 0.00 0.01 0.00 0.00 54.97 53.49 2cqy s GLU 93 Cb -0.13 -1.09 -0.10 0.00 -4.31 0.00 0.00 34.13 28.50 2cqy s GLU 93 CO -0.09 0.22 1.44 0.21 0.01 0.00 0.00 175.26 177.06 2cqy s LYS 94 N -2.45 4.25 -0.22 1.61 2.47 -1.26 -0.24 119.74 123.90 2cqy s LYS 94 Ca 0.09 2.35 -0.04 0.00 -1.56 0.00 0.00 55.97 56.81 2cqy s LYS 94 Cb -0.07 -3.08 -0.01 0.00 -1.46 0.00 0.00 37.83 33.21 2cqy s LYS 94 CO 0.04 -0.42 -0.03 0.12 0.16 0.00 0.00 175.35 175.22 2cqy s PHE 95 N -0.29 2.97 -0.17 4.03 2.19 -0.96 -4.73 117.98 121.02 2cqy s PHE 95 Ca 0.58 -0.86 -0.01 0.00 0.33 0.00 0.00 56.93 56.96 2cqy s PHE 95 Cb -0.43 -2.11 0.05 0.00 -1.31 0.00 0.00 43.02 39.22 2cqy s PHE 95 CO 0.47 -0.51 -0.01 0.42 1.83 0.00 0.00 175.22 177.42 2cqy s ILE 96 N 1.45 0.82 0.26 3.12 1.01 -1.26 -4.30 121.20 122.30 2cqy s ILE 96 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2cqy s ILE 96 Cb -0.14 -1.12 0.23 0.00 0.01 0.00 0.00 42.46 41.44 2cqy s ILE 96 CO -0.02 0.01 1.78 -0.78 0.00 0.00 0.00 174.94 175.92 2cqy h ASP 97 N 8.18 0.59 -4.10 3.58 3.58 -2.00 -3.43 116.42 122.82 2cqy h ASP 97 Ca -0.20 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 2cqy h ASP 97 Cb 1.11 -0.03 -0.21 0.00 1.72 0.00 0.00 39.33 41.92 2cqy h ASP 97 CO 0.36 0.29 0.18 0.54 -2.88 0.00 0.00 179.24 177.72 2cqy s ASN 98 N -5.49 -0.70 0.63 2.28 4.22 -1.26 -5.17 114.94 109.45 2cqy s ASN 98 Ca -0.12 1.25 -0.16 0.00 -2.14 0.00 0.00 52.86 51.69 2cqy s ASN 98 Cb 0.21 1.24 -0.01 0.00 1.28 0.00 0.00 41.25 43.96 2cqy s ASN 98 CO 0.78 -0.30 1.12 -2.16 -2.04 0.00 0.00 177.10 174.49 2cqy s PRO 99 N 0.07 2.94 0.21 3.55 0.04 -1.26 -5.07 135.00 135.48 2cqy s PRO 99 Ca -0.02 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 2cqy s PRO 99 Cb -0.04 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cqy s PRO 99 CO 0.02 -1.15 0.26 1.03 0.04 0.00 0.00 177.00 177.20 2cqy s ARG 100 N -3.89 1.30 -0.67 4.56 0.52 -1.26 -5.12 118.95 114.40 2cqy s ARG 100 Ca 0.68 -1.46 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2cqy s ARG 100 Cb -0.21 0.34 0.17 0.00 0.52 0.00 0.00 34.95 35.77 2cqy s ARG 100 CO 0.38 -0.47 0.47 -1.58 0.02 0.00 0.00 175.30 174.12 2cqy s HIS 101 N -4.09 3.47 0.24 -0.53 5.65 -1.26 -5.07 115.29 113.69 2cqy s HIS 101 Ca 0.31 -2.97 0.10 0.00 0.25 0.00 0.00 55.06 52.75 2cqy s HIS 101 Cb 0.04 -3.05 -0.05 0.00 -1.18 0.00 0.00 32.58 28.34 2cqy s HIS 101 CO 0.10 -0.76 -0.17 -1.50 -0.65 0.00 0.00 174.74 171.76 2cqy s ILE 102 N -0.57 2.10 -0.14 0.89 2.07 -1.26 -5.15 121.20 119.14 2cqy s ILE 102 Ca 0.20 -2.28 -0.28 0.00 -1.41 0.00 0.00 60.65 56.89 2cqy s ILE 102 Cb -0.17 -2.15 0.07 0.00 0.13 0.00 0.00 42.46 40.34 2cqy s ILE 102 CO -0.06 -0.48 0.67 -0.44 -1.91 0.00 0.00 174.94 172.72 2cqy s SER 103 N -3.35 -0.67 0.00 4.50 0.01 -1.26 -5.13 113.70 107.81 2cqy s SER 103 Ca 0.25 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2cqy s SER 103 Cb -0.03 0.90 0.00 0.00 0.21 0.00 0.00 66.02 67.09 2cqy s SER 103 CO 0.11 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2cqy n GLY 104 N 1.67 -1.39 1.64 3.44 0.00 -1.26 -5.02 105.19 104.27 2cqy n GLY 104 Ca -0.17 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 -2.03 -4.44 1.61 -0.04 -1.26 -5.10 135.00 123.73 2cqy n PRO 105 Ca 0.00 -0.82 -0.22 0.00 -0.04 0.00 0.00 63.50 62.42 2cqy n PRO 105 Cb 0.00 -0.77 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 2cqy n PRO 105 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cqy s SER 106 N -2.88 2.29 -1.49 3.54 0.01 -1.26 -4.84 113.70 109.07 2cqy s SER 106 Ca 0.33 -1.55 -0.11 0.00 1.31 0.00 0.00 55.95 55.93 2cqy s SER 106 Cb -0.03 0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.56 2cqy s SER 106 CO 0.26 -0.82 0.93 -0.24 0.41 0.00 0.00 173.24 173.78 2cqy n SER 107 N -0.99 -4.12 0.00 2.44 2.88 -1.26 -5.29 113.62 107.28 2cqy n SER 107 Ca -0.03 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 2cqy n SER 107 Cb 0.65 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 60.19 2cqy n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42