#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 -0.05 -0.02 1.61 0.15 -1.26 -5.19 113.70 108.93 2cqy s SER 2 Ca 0.00 -0.57 -0.30 0.00 0.70 0.00 0.00 55.95 55.78 2cqy s SER 2 Cb 0.00 0.48 0.11 0.00 -1.71 0.00 0.00 66.02 64.90 2cqy s SER 2 CO 0.00 -0.93 1.14 -0.55 1.20 0.00 0.00 173.24 174.10 2cqy s SER 3 N -3.25 -0.15 -0.08 5.45 0.15 -1.26 -5.19 113.70 109.38 2cqy s SER 3 Ca 0.19 -0.14 -0.31 0.00 0.70 0.00 0.00 55.95 56.39 2cqy s SER 3 Cb -0.02 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 2cqy s SER 3 CO 0.04 -0.46 1.37 -0.83 1.20 0.00 0.00 173.24 174.57 2cqy s GLY 4 N -2.70 -0.28 0.13 9.45 0.00 -1.26 -5.19 107.32 107.47 2cqy s GLY 4 Ca 0.11 0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 2cqy s GLY 4 CO -0.03 4.79 0.83 -0.56 0.00 0.00 0.00 173.10 178.12 2cqy s SER 5 N -3.67 -0.32 0.02 1.64 0.01 -1.26 -5.18 113.70 104.94 2cqy s SER 5 Ca 0.27 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 2cqy s SER 5 Cb 0.02 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2cqy s SER 5 CO -0.04 -0.91 0.11 -0.44 0.41 0.00 0.00 173.24 172.37 2cqy s SER 6 N -2.77 0.10 0.20 2.44 0.01 -1.26 -5.17 113.70 107.26 2cqy s SER 6 Ca 0.08 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 56.74 2cqy s SER 6 Cb -0.02 0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.46 2cqy s SER 6 CO -0.03 -0.43 0.80 -0.83 0.41 0.00 0.00 173.24 173.16 2cqy s GLY 7 N -1.71 -0.24 0.49 3.44 0.00 -1.26 -5.18 107.32 102.87 2cqy s GLY 7 Ca -0.11 0.04 0.07 0.00 0.00 0.00 0.00 44.72 44.72 2cqy s GLY 7 CO -0.01 0.01 0.45 0.51 0.00 0.00 0.00 173.10 174.05 2cqy s ASP 8 N -2.87 4.88 -0.30 1.64 -4.77 -1.26 -5.14 116.67 108.85 2cqy s ASP 8 Ca 0.10 -0.97 -0.13 0.00 -3.30 0.00 0.00 52.55 48.24 2cqy s ASP 8 Cb -0.03 -0.04 0.16 0.00 -1.09 0.00 0.00 42.92 41.91 2cqy s ASP 8 CO 0.02 -0.93 0.91 -1.59 0.70 0.00 0.00 175.17 174.27 2cqy s LYS 9 N -4.27 0.35 -0.12 2.11 -2.85 -1.26 -5.16 119.74 108.55 2cqy s LYS 9 Ca 0.44 0.87 0.00 0.00 -1.00 0.00 0.00 55.97 56.29 2cqy s LYS 9 Cb -0.03 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2cqy s LYS 9 CO 0.27 -0.14 -0.13 0.42 0.10 0.00 0.00 175.35 175.86 2cqy s ILE 10 N 2.58 3.05 0.01 3.79 1.01 -1.26 -5.12 121.20 125.27 2cqy s ILE 10 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 2cqy s ILE 10 Cb -0.08 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2cqy s ILE 10 CO -0.18 0.53 -0.01 -1.61 0.00 0.00 0.00 174.94 173.67 2cqy s GLU 11 N 0.19 0.22 0.03 2.79 2.02 -1.26 -5.16 118.70 117.53 2cqy s GLU 11 Ca -0.08 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.52 2cqy s GLU 11 Cb -0.15 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 2cqy s GLU 11 CO 0.05 -0.04 -0.07 0.45 0.02 0.00 0.00 175.26 175.67 2cqy s SER 12 N -1.01 0.78 -0.30 -0.19 0.15 -1.26 -5.14 113.70 106.74 2cqy s SER 12 Ca -0.11 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 2cqy s SER 12 Cb -0.07 0.01 0.16 0.00 -1.71 0.00 0.00 66.02 64.41 2cqy s SER 12 CO -0.01 -0.14 0.64 -0.75 1.20 0.00 0.00 173.24 174.18 2cqy s LYS 13 N -1.23 0.56 -0.29 5.44 2.36 -1.26 -5.13 119.74 120.19 2cqy s LYS 13 Ca -0.07 1.22 0.01 0.00 -2.55 0.00 0.00 55.97 54.59 2cqy s LYS 13 Cb -0.08 0.72 0.08 0.00 -1.05 0.00 0.00 37.83 37.50 2cqy s LYS 13 CO 0.00 -0.38 0.01 -0.51 1.55 0.00 0.00 175.35 176.02 2cqy s LEU 14 N 2.87 3.20 0.12 5.43 2.01 -1.26 -5.10 118.68 125.95 2cqy s LEU 14 Ca 0.06 -1.61 -0.02 0.00 0.01 0.00 0.00 54.13 52.57 2cqy s LEU 14 Cb -0.13 -1.25 -0.03 0.00 0.01 0.00 0.00 46.19 44.78 2cqy s LEU 14 CO -0.20 -0.32 0.07 -1.48 1.01 0.00 0.00 176.35 175.43 2cqy s LEU 15 N 1.29 1.79 -0.29 1.79 0.05 -1.26 -5.14 118.68 116.90 2cqy s LEU 15 Ca 0.03 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.10 2cqy s LEU 15 Cb -0.19 0.41 0.06 0.00 -2.05 0.00 0.00 46.19 44.43 2cqy s LEU 15 CO -0.11 -0.73 -0.03 0.00 -0.55 0.00 0.00 176.35 174.93 2cqy s ALA 16 N -4.01 2.74 0.26 1.48 0.00 -1.26 -5.08 121.76 115.89 2cqy s ALA 16 Ca 0.20 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.33 2cqy s ALA 16 Cb 0.07 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2cqy s ALA 16 CO -0.01 -1.29 0.29 1.63 0.00 0.00 0.00 175.76 176.38 2cqy n LYS 17 N 4.53 0.43 -3.55 0.00 4.76 -1.26 -5.19 118.16 117.88 2cqy n LYS 17 Ca -0.12 -2.35 -0.12 0.00 -2.87 0.00 0.00 58.31 52.85 2cqy n LYS 17 Cb 0.43 2.08 -0.05 0.00 -1.84 0.00 0.00 35.03 35.65 2cqy n LYS 17 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2cqy s LYS 18 N -2.83 0.75 0.43 1.97 0.00 -1.26 -5.19 119.74 113.62 2cqy s LYS 18 Ca 0.26 0.11 0.04 0.00 0.00 0.00 0.00 55.97 56.38 2cqy s LYS 18 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 37.83 38.17 2cqy s LYS 18 CO 0.19 -0.25 0.13 0.00 0.00 0.00 0.00 175.35 175.42 2cqy n ALA 19 N 0.64 0.58 -2.36 0.59 0.00 -1.26 -5.08 120.51 113.63 2cqy n ALA 19 Ca -0.12 -2.17 -0.18 0.00 0.00 0.00 0.00 53.44 50.96 2cqy n ALA 19 Cb 0.58 1.43 0.02 0.00 0.00 0.00 0.00 19.45 21.48 2cqy n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cqy n GLU 20 N -0.99 2.95 -3.49 0.00 1.02 -1.26 -5.07 120.64 113.80 2cqy n GLU 20 Ca -0.08 -4.03 -0.37 0.00 -0.02 0.00 0.00 57.16 52.67 2cqy n GLU 20 Cb 0.64 -2.04 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2cqy n GLU 20 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2cqy s VAL 21 N -4.52 5.01 0.52 2.62 -7.23 -1.26 -5.04 120.40 110.51 2cqy s VAL 21 Ca 0.43 0.75 -0.18 0.00 -1.81 0.00 0.00 61.98 61.17 2cqy s VAL 21 Cb 0.39 -3.71 -0.12 0.00 0.56 0.00 0.00 36.38 33.51 2cqy s VAL 21 CO -0.03 0.45 0.23 0.59 -0.31 0.00 0.00 175.10 176.04 2cqy n ASN 22 N 1.43 -2.22 -4.18 4.85 3.02 -1.26 -5.00 115.26 111.90 2cqy n ASN 22 Ca -0.11 0.72 -0.11 0.00 -0.03 0.00 0.00 54.58 55.05 2cqy n ASN 22 Cb 0.52 -1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 2cqy n ASN 22 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2cqy s THR 23 N -1.83 0.23 -0.09 3.41 -4.23 -1.26 -4.95 115.64 106.93 2cqy s THR 23 Ca 0.63 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2cqy s THR 23 Cb -0.48 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2cqy s THR 23 CO 0.60 -0.43 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.50 2cqy s ILE 24 N -3.97 3.24 -2.00 2.99 1.01 -1.26 -4.99 121.20 116.22 2cqy s ILE 24 Ca 0.25 -0.63 0.12 0.00 0.00 0.00 0.00 60.65 60.39 2cqy s ILE 24 Cb 0.07 -2.32 0.34 0.00 0.01 0.00 0.00 42.46 40.57 2cqy s ILE 24 CO 0.03 0.56 1.15 -0.81 0.00 0.00 0.00 174.94 175.88 2cqy n PRO 25 N 2.77 0.49 0.00 2.79 -0.04 -1.26 -4.80 135.00 134.94 2cqy n PRO 25 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2cqy n PRO 25 Cb 0.52 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 3.23 3.07 0.55 0.00 -1.26 -4.89 105.19 105.86 2cqy n GLY 26 Ca 0.09 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 -0.42 -0.16 1.61 5.36 -1.23 -4.97 117.98 116.17 2cqy s PHE 27 Ca 0.00 0.95 0.05 0.00 -0.96 0.00 0.00 56.93 56.97 2cqy s PHE 27 Cb 0.00 0.06 -0.13 0.00 -0.34 0.00 0.00 43.02 42.60 2cqy s PHE 27 CO 0.00 -0.30 -0.09 -0.25 -1.46 0.00 0.00 175.22 173.12 2cqy n ASP 28 N 4.69 2.29 -3.51 6.13 9.92 -1.26 -4.03 116.55 130.77 2cqy n ASP 28 Ca -0.18 -0.06 -0.33 0.00 -0.53 0.00 0.00 54.79 53.69 2cqy n ASP 28 Cb 0.52 0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.97 2cqy n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cqy n GLY 29 N 2.49 -0.36 3.57 0.44 0.00 -1.26 -4.74 105.19 105.33 2cqy n GLY 29 Ca -0.28 0.91 -0.48 0.00 0.00 0.00 0.00 46.02 46.17 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 5.82 1.30 -1.18 1.61 3.14 -1.26 -4.81 118.33 122.95 2cqy n VAL 30 Ca 0.51 -0.33 -0.31 0.00 -2.96 0.00 0.00 64.34 61.26 2cqy n VAL 30 Cb 0.02 -0.81 0.11 0.00 -1.06 0.00 0.00 33.84 32.10 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 -0.52 3.04 -0.15 1.55 1.01 -1.18 -4.98 120.40 119.17 2cqy s VAL 31 Ca 0.68 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 2cqy s VAL 31 Cb -0.82 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2cqy s VAL 31 CO 0.55 -0.44 -0.15 0.29 0.00 0.00 0.00 175.10 175.35 2cqy n LYS 32 N -3.70 0.37 -3.78 2.72 4.76 -1.26 -4.59 118.16 112.68 2cqy n LYS 32 Ca 0.09 0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 2cqy n LYS 32 Cb 0.53 -1.25 -0.05 0.00 -1.84 0.00 0.00 35.03 32.42 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 -5.67 -0.17 0.19 4.39 1.47 -1.26 -5.04 116.67 110.58 2cqy s ASP 33 Ca -0.21 -0.55 -0.17 0.00 1.18 0.00 0.00 52.55 52.80 2cqy s ASP 33 Cb 0.06 0.52 0.16 0.00 -0.34 0.00 0.00 42.92 43.32 2cqy s ASP 33 CO 0.33 -0.98 1.63 0.00 0.68 0.00 0.00 175.17 176.83 2cqy h ALA 34 N 2.32 0.20 -0.45 2.11 0.00 -1.94 -0.18 119.26 121.33 2cqy h ALA 34 Ca -0.30 0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2cqy h ALA 34 Cb 1.25 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 19.47 2cqy h ALA 34 CO 0.42 -0.52 -0.18 0.93 0.00 0.00 0.00 179.25 179.90 2cqy h GLU 35 N -0.08 -0.08 -0.85 0.00 5.08 -1.97 0.08 114.58 116.75 2cqy h GLU 35 Ca 0.24 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2cqy h GLU 35 Cb 0.46 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2cqy h GLU 35 CO -0.57 -0.05 0.53 1.49 -1.00 0.00 0.00 179.01 179.40 2cqy h GLU 36 N -0.08 1.15 -0.84 2.33 4.57 -1.63 -2.10 114.58 117.97 2cqy h GLU 36 Ca 0.22 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2cqy h GLU 36 Cb 0.42 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2cqy h GLU 36 CO -0.51 0.79 0.55 0.00 -1.18 0.00 0.00 179.01 178.67 2cqy h ALA 37 N 1.41 1.53 -0.41 2.92 0.00 0.71 -0.88 119.26 124.54 2cqy h ALA 37 Ca 0.31 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2cqy h ALA 37 Cb -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2cqy h ALA 37 CO -0.06 0.37 -0.15 0.28 0.00 0.00 0.00 179.25 179.69 2cqy h VAL 38 N 0.99 1.28 0.61 0.00 2.07 -0.63 -2.07 116.25 118.50 2cqy h VAL 38 Ca 0.35 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2cqy h VAL 38 Cb 0.12 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2cqy h VAL 38 CO -0.11 0.43 -0.29 0.03 0.02 0.00 0.00 177.57 177.64 2cqy h ARG 39 N 0.63 -0.79 -0.45 1.57 3.08 -1.07 -1.59 114.38 115.75 2cqy h ARG 39 Ca 0.10 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.29 2cqy h ARG 39 Cb 0.69 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.84 2cqy h ARG 39 CO 0.05 -0.48 -0.06 0.82 -1.07 0.00 0.00 179.97 179.24 2cqy h ILE 40 N -1.01 0.60 -0.82 2.04 2.04 -1.25 -0.91 117.51 118.19 2cqy h ILE 40 Ca -0.08 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2cqy h ILE 40 Cb 0.68 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 2cqy h ILE 40 CO 0.14 0.01 0.49 0.00 0.00 0.00 0.00 178.15 178.79 2cqy h ALA 41 N 1.43 1.13 -0.33 1.87 0.00 -1.36 -0.71 119.26 121.29 2cqy h ALA 41 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2cqy h ALA 41 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2cqy h ALA 41 CO -0.42 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.25 2cqy h ARG 42 N 0.88 0.41 -0.06 0.00 3.08 -0.15 -0.96 114.38 117.59 2cqy h ARG 42 Ca 0.37 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.21 2cqy h ARG 42 Cb 0.22 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.19 2cqy h ARG 42 CO -0.19 0.27 -0.67 0.93 -1.07 0.00 0.00 179.97 179.24 2cqy h GLU 43 N 0.42 0.56 -0.43 0.04 4.39 -0.49 -3.24 114.58 115.82 2cqy h GLU 43 Ca 0.12 -0.52 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 2cqy h GLU 43 Cb -0.01 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2cqy h GLU 43 CO -0.03 1.15 0.08 0.82 -1.16 0.00 0.00 179.01 179.87 2cqy h ILE 44 N 0.15 1.20 -0.14 3.13 2.04 -0.75 -3.41 117.51 119.73 2cqy h ILE 44 Ca -0.07 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2cqy h ILE 44 Cb 1.34 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2cqy h ILE 44 CO 0.14 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.16 2cqy n GLY 45 N -0.92 0.11 3.54 5.37 0.00 -0.41 -4.13 105.19 108.75 2cqy n GLY 45 Ca 0.03 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 1.08 -0.09 -1.22 1.61 4.01 -1.25 -4.58 117.16 116.72 2cqy n TYR 46 Ca 0.00 0.36 -0.30 0.00 -0.16 0.00 0.00 57.90 57.80 2cqy n TYR 46 Cb 0.00 -1.98 0.13 0.00 -0.31 0.00 0.00 39.34 37.18 2cqy n TYR 46 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2cqy s PRO 47 N -3.27 1.49 -0.04 -0.72 0.04 -1.26 -5.02 135.00 126.22 2cqy s PRO 47 Ca 0.68 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.63 2cqy s PRO 47 Cb -0.32 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2cqy s PRO 47 CO 0.56 -2.11 -0.02 0.14 0.04 0.00 0.00 177.00 175.61 2cqy s VAL 48 N -2.93 0.38 0.03 -0.36 -7.23 0.10 -2.82 120.40 107.56 2cqy s VAL 48 Ca 0.63 -0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.58 2cqy s VAL 48 Cb -0.18 -0.44 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2cqy s VAL 48 CO 0.57 0.19 0.54 -0.32 -0.31 0.00 0.00 175.10 175.77 2cqy s MET 49 N 0.98 4.19 -0.04 4.82 1.75 0.10 -1.23 119.30 129.87 2cqy s MET 49 Ca -0.10 0.66 0.07 0.00 -1.25 0.00 0.00 55.69 55.06 2cqy s MET 49 Cb -0.14 -3.27 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 2cqy s MET 49 CO -0.01 0.55 -0.25 0.42 -0.65 0.00 0.00 175.02 175.09 2cqy s ILE 50 N -0.76 1.99 0.29 10.11 1.01 -0.90 -1.07 121.20 131.87 2cqy s ILE 50 Ca 0.28 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2cqy s ILE 50 Cb -0.18 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2cqy s ILE 50 CO 0.17 0.56 0.16 -0.54 0.00 0.00 0.00 174.94 175.28 2cqy s LYS 51 N -0.29 1.54 -0.43 2.79 1.02 -1.02 -3.30 119.74 120.05 2cqy s LYS 51 Ca 0.01 -1.87 -0.19 0.00 0.02 0.00 0.00 55.97 53.93 2cqy s LYS 51 Cb -0.12 -0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 2cqy s LYS 51 CO 0.02 -0.44 0.56 0.00 -0.92 0.00 0.00 175.35 174.57 2cqy s ALA 52 N -3.67 3.38 0.26 5.17 0.00 -1.26 0.33 121.76 125.98 2cqy s ALA 52 Ca 0.36 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2cqy s ALA 52 Cb 0.05 -3.20 0.54 0.00 0.00 0.00 0.00 23.12 20.52 2cqy s ALA 52 CO 0.17 -1.68 1.63 1.03 0.00 0.00 0.00 175.76 176.91 2cqy h SER 53 N 8.80 -0.30 -0.87 0.00 0.87 -0.84 1.88 113.55 123.09 2cqy h SER 53 Ca -0.26 0.21 0.23 0.00 -1.23 0.00 0.00 61.79 60.74 2cqy h SER 53 Cb 1.10 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 63.36 2cqy h SER 53 CO 0.85 -0.20 0.60 0.00 -0.53 0.00 0.00 176.83 177.55 2cqy h ALA 54 N 1.77 2.52 0.00 6.23 0.00 -1.91 -3.38 119.26 124.48 2cqy h ALA 54 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2cqy h ALA 54 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2cqy h ALA 54 CO -0.70 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 178.17 2cqy n GLY 55 N -1.61 -2.01 0.00 0.00 0.00 0.27 -5.02 105.19 96.82 2cqy n GLY 55 Ca 0.18 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.17 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 -3.15 2.60 -0.02 0.00 0.57 -4.64 105.19 100.55 2cqy n GLY 56 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.91 -0.24 5.74 -0.02 0.00 -1.26 -4.63 105.19 103.87 2cqy n GLY 57 Ca 0.00 -0.12 0.00 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 -1.26 0.52 3.40 -0.02 0.00 -1.26 -4.51 105.19 102.07 2cqy n GLY 58 Ca -0.11 0.53 -0.62 0.00 0.00 0.00 0.00 46.02 45.82 2cqy n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqy n LYS 59 N 0.00 0.00 0.00 1.61 4.76 -1.26 -1.13 118.16 122.14 2cqy n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cqy n LYS 59 Cb 0.00 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 2cqy n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cqy n GLY 60 N 5.37 1.48 2.46 0.72 0.00 -1.26 -5.11 105.19 108.85 2cqy n GLY 60 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.01 0.76 -4.31 1.61 0.00 -0.29 -5.06 117.12 109.82 2cqy n MET 61 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 57.70 55.55 2cqy n MET 61 Cb 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 33.22 32.99 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 -3.65 1.25 0.11 3.17 3.52 -1.21 -5.07 118.95 117.08 2cqy s ARG 62 Ca 0.37 -1.58 0.08 0.00 -0.13 0.00 0.00 55.73 54.47 2cqy s ARG 62 Cb -0.03 -0.80 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 2cqy s ARG 62 CO 0.24 0.05 -0.21 0.42 -0.81 0.00 0.00 175.30 174.99 2cqy s ILE 63 N -3.23 1.72 0.18 4.11 1.01 -1.26 -2.11 121.20 121.62 2cqy s ILE 63 Ca 0.23 -1.58 0.09 0.00 0.00 0.00 0.00 60.65 59.39 2cqy s ILE 63 Cb 0.03 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2cqy s ILE 63 CO 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 174.94 174.72 2cqy s ALA 64 N -1.25 2.09 0.00 9.38 0.00 -0.36 -4.94 121.76 126.68 2cqy s ALA 64 Ca 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2cqy s ALA 64 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2cqy s ALA 64 CO 0.04 0.24 0.00 0.91 0.00 0.00 0.00 175.76 176.96 2cqy n TRP 65 N 0.20 0.00 -4.10 0.00 7.02 -1.26 -0.72 117.44 118.58 2cqy n TRP 65 Ca -0.12 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.20 2cqy n TRP 65 Cb 0.57 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.42 2cqy n TRP 65 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2cqy s ASP 66 N -1.21 1.01 0.17 -0.99 1.47 -1.26 -4.70 116.67 111.16 2cqy s ASP 66 Ca 0.00 -1.52 -0.14 0.00 1.18 0.00 0.00 52.55 52.06 2cqy s ASP 66 Cb 0.00 0.67 0.07 0.00 -0.34 0.00 0.00 42.92 43.32 2cqy s ASP 66 CO 0.00 -1.30 1.81 -2.24 0.68 0.00 0.00 175.17 174.12 2cqy h ASP 67 N 2.09 0.48 -0.39 2.11 2.03 -1.98 0.39 116.42 121.15 2cqy h ASP 67 Ca -0.28 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.05 2cqy h ASP 67 Cb 1.24 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 39.60 2cqy h ASP 67 CO 0.38 0.34 0.18 1.05 -1.03 0.00 0.00 179.24 180.17 2cqy h GLU 68 N 0.59 0.36 -0.49 4.15 4.11 -2.00 -1.47 114.58 119.84 2cqy h GLU 68 Ca 0.19 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.51 2cqy h GLU 68 Cb -0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2cqy h GLU 68 CO -0.08 0.24 -0.04 0.93 0.07 0.00 0.00 179.01 180.13 2cqy h GLU 69 N 0.37 0.84 -0.01 1.06 5.08 -1.88 -2.19 114.58 117.86 2cqy h GLU 69 Ca 0.17 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2cqy h GLU 69 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2cqy h GLU 69 CO -0.13 0.87 -0.02 1.15 -1.00 0.00 0.00 179.01 179.88 2cqy h THR 70 N 0.77 0.95 -0.33 1.13 2.02 -0.32 -0.21 112.91 116.92 2cqy h THR 70 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2cqy h THR 70 Cb 0.53 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2cqy h THR 70 CO 0.03 0.00 0.17 0.03 0.37 0.00 0.00 175.52 176.12 2cqy h ARG 71 N -0.03 0.48 0.28 6.66 3.08 -1.21 0.09 114.38 123.72 2cqy h ARG 71 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2cqy h ARG 71 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2cqy h ARG 71 CO -0.02 0.42 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.58 2cqy h ASP 72 N 0.41 -0.74 0.17 7.04 3.32 -1.21 -1.01 116.42 124.40 2cqy h ASP 72 Ca 0.12 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2cqy h ASP 72 Cb 0.09 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2cqy h ASP 72 CO -0.02 -0.40 -0.15 1.23 -1.72 0.00 0.00 179.24 178.18 2cqy h GLY 73 N -0.58 0.00 1.12 2.75 0.00 -0.97 -2.39 103.07 103.00 2cqy h GLY 73 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 2cqy h GLY 73 CO -0.06 0.00 -0.24 -2.75 0.00 0.00 0.00 176.54 173.49 2cqy h PHE 74 N 0.00 1.15 -0.43 5.60 3.04 -0.36 0.13 116.94 126.06 2cqy h PHE 74 Ca -0.00 -0.29 -0.12 0.00 3.98 0.00 0.00 57.97 61.54 2cqy h PHE 74 Cb 0.28 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 2cqy h PHE 74 CO 0.00 1.12 -0.21 0.00 -2.02 0.00 0.00 178.31 177.20 2cqy h ARG 75 N 0.85 0.90 0.26 1.11 3.08 -0.76 -1.83 114.38 117.98 2cqy h ARG 75 Ca 0.10 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2cqy h ARG 75 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2cqy h ARG 75 CO 0.07 1.05 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.82 2cqy h LEU 76 N 0.72 -0.30 -1.56 3.04 3.38 -1.38 -2.74 115.31 116.47 2cqy h LEU 76 Ca 0.09 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.37 2cqy h LEU 76 Cb 0.78 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 2cqy h LEU 76 CO 0.06 0.03 0.72 -1.28 0.09 0.00 0.00 178.44 178.07 2cqy h SER 77 N -0.84 0.30 0.42 -0.43 0.87 -0.86 -0.72 113.55 112.28 2cqy h SER 77 Ca -0.04 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2cqy h SER 77 Cb 0.27 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2cqy h SER 77 CO 0.06 0.05 -0.20 0.28 -0.53 0.00 0.00 176.83 176.49 2cqy h SER 78 N 0.26 -0.48 -0.99 6.23 0.02 -1.38 -2.65 113.55 114.56 2cqy h SER 78 Ca 0.59 -0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.60 2cqy h SER 78 Cb 1.76 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 64.32 2cqy h SER 78 CO -0.21 -0.14 0.62 1.56 -1.14 0.00 0.00 176.83 177.51 2cqy h GLN 79 N -0.84 0.76 0.39 3.45 4.20 -0.84 -1.27 115.11 120.96 2cqy h GLN 79 Ca -0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2cqy h GLN 79 Cb 0.55 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2cqy h GLN 79 CO 0.09 0.50 -0.22 0.93 -0.67 0.00 0.00 178.83 179.47 2cqy h GLU 80 N 0.79 -0.54 -1.03 1.46 3.07 -1.25 -2.82 114.58 114.26 2cqy h GLU 80 Ca 0.54 0.04 0.25 0.00 -0.50 0.00 0.00 59.36 59.69 2cqy h GLU 80 Cb 0.81 0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.75 2cqy h GLU 80 CO -0.32 -0.36 0.65 0.00 -1.40 0.00 0.00 179.01 177.58 2cqy h ALA 81 N -1.64 2.13 -0.80 3.43 0.00 -1.16 0.43 119.26 121.64 2cqy h ALA 81 Ca -0.05 0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2cqy h ALA 81 Cb 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2cqy h ALA 81 CO 0.07 -0.54 0.56 0.00 0.00 0.00 0.00 179.25 179.34 2cqy h ALA 82 N 1.64 2.48 0.00 0.00 0.00 0.10 -0.69 119.26 122.79 2cqy h ALA 82 Ca 0.59 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.33 2cqy h ALA 82 Cb 1.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2cqy h ALA 82 CO -0.32 -0.72 -1.48 0.45 0.00 0.00 0.00 179.25 177.18 2cqy n SER 83 N -4.40 1.76 -0.32 0.00 2.88 0.12 -3.06 113.62 110.60 2cqy n SER 83 Ca 0.16 0.30 -0.05 0.00 -1.33 0.00 0.00 58.87 57.96 2cqy n SER 83 Cb 0.75 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 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 -4.21 -0.67 -0.08 -3.46 7.64 0.71 -3.53 113.62 110.01 2cqy n SER 84 Ca -0.27 1.42 -0.16 0.00 1.01 0.00 0.00 58.87 60.87 2cqy n SER 84 Cb 0.61 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 -5.10 0.00 0.00 1.43 3.72 -0.88 -5.06 117.46 111.57 2cqy n PHE 85 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2cqy n PHE 85 Cb 0.27 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2cqy n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cqy n GLY 86 N 2.14 1.13 3.95 1.37 0.00 -0.32 -5.04 105.19 108.43 2cqy n GLY 86 Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 5.57 -0.13 1.61 1.01 -1.18 -4.58 116.67 118.97 2cqy s ASP 87 Ca 0.00 -0.43 0.15 0.00 0.71 0.00 0.00 52.55 52.98 2cqy s ASP 87 Cb 0.00 -0.86 0.52 0.00 1.01 0.00 0.00 42.92 43.60 2cqy s ASP 87 CO 0.00 -0.58 1.44 -0.90 0.21 0.00 0.00 175.17 175.34 2cqy n ASP 88 N -1.66 3.93 -4.69 0.27 5.75 -1.26 0.26 116.55 119.14 2cqy n ASP 88 Ca 0.03 -2.69 -0.43 0.00 -0.01 0.00 0.00 54.79 51.68 2cqy n ASP 88 Cb 0.59 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.04 2.62 -4.59 0.11 5.12 -1.26 -4.74 116.66 113.96 2cqy n ARG 89 Ca 0.20 0.95 -0.30 0.00 -1.93 0.00 0.00 57.85 56.77 2cqy n ARG 89 Cb 0.81 -2.80 -0.08 0.00 -1.16 0.00 0.00 32.46 29.22 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 1.91 2.60 0.13 0.55 1.43 -1.26 -0.31 118.68 123.72 2cqy s LEU 90 Ca 0.80 -1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2cqy s LEU 90 Cb -0.54 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2cqy s LEU 90 CO 0.37 -0.71 0.06 -0.76 0.23 0.00 0.00 176.35 175.54 2cqy s LEU 91 N -3.85 1.77 -0.12 1.79 1.43 0.15 -3.07 118.68 116.77 2cqy s LEU 91 Ca 0.21 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 2cqy s LEU 91 Cb 0.04 0.33 0.05 0.00 0.03 0.00 0.00 46.19 46.65 2cqy s LEU 91 CO 0.11 -0.73 0.27 -0.63 0.23 0.00 0.00 176.35 175.61 2cqy s ILE 92 N -4.04 -0.15 0.07 -0.59 1.01 -1.26 -2.42 121.20 113.81 2cqy s ILE 92 Ca 0.23 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2cqy s ILE 92 Cb 0.07 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2cqy s ILE 92 CO 0.01 0.07 -0.05 -1.61 0.00 0.00 0.00 174.94 173.36 2cqy s GLU 93 N 1.62 0.66 0.12 2.79 2.02 -0.23 -3.52 118.70 122.15 2cqy s GLU 93 Ca -0.06 -1.13 -0.31 0.00 0.02 0.00 0.00 54.97 53.49 2cqy s GLU 93 Cb -0.11 -0.05 -0.08 0.00 0.10 0.00 0.00 34.13 33.99 2cqy s GLU 93 CO -0.09 -0.04 1.40 0.21 0.02 0.00 0.00 175.26 176.76 2cqy s LYS 94 N -3.24 4.31 -0.24 1.61 2.47 -1.26 -0.72 119.74 122.67 2cqy s LYS 94 Ca 0.04 2.09 -0.09 0.00 -1.56 0.00 0.00 55.97 56.45 2cqy s LYS 94 Cb 0.02 -3.25 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 2cqy s LYS 94 CO -0.05 -0.45 0.11 0.12 0.16 0.00 0.00 175.35 175.24 2cqy s PHE 95 N 1.13 3.18 -0.04 4.03 2.19 -1.13 -4.77 117.98 122.57 2cqy s PHE 95 Ca 0.65 -0.08 -0.02 0.00 0.33 0.00 0.00 56.93 57.81 2cqy s PHE 95 Cb -0.37 -2.25 0.03 0.00 -1.31 0.00 0.00 43.02 39.12 2cqy s PHE 95 CO 0.30 -0.14 0.04 0.42 1.83 0.00 0.00 175.22 177.67 2cqy s ILE 96 N 1.34 0.01 -0.11 3.12 1.01 -1.26 -4.40 121.20 120.89 2cqy s ILE 96 Ca 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 2cqy s ILE 96 Cb -0.15 -0.23 -0.25 0.00 0.01 0.00 0.00 42.46 41.85 2cqy s ILE 96 CO 0.05 0.19 0.38 -0.67 0.00 0.00 0.00 174.94 174.89 2cqy n ASP 97 N 5.11 1.79 -4.80 3.58 -0.08 -1.26 -4.91 116.55 115.98 2cqy n ASP 97 Ca -0.07 0.22 -0.36 0.00 -1.51 0.00 0.00 54.79 53.07 2cqy n ASP 97 Cb 0.50 -0.61 -0.06 0.00 2.34 0.00 0.00 41.12 43.28 2cqy n ASP 97 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2cqy s ASN 98 N -6.76 7.16 0.82 1.67 -0.87 -1.26 -5.06 114.94 110.64 2cqy s ASN 98 Ca -0.19 1.56 -0.11 0.00 -1.57 0.00 0.00 52.86 52.55 2cqy s ASN 98 Cb 0.07 -2.47 0.09 0.00 -0.02 0.00 0.00 41.25 38.91 2cqy s ASN 98 CO 0.77 0.00 1.09 -2.16 -2.57 0.00 0.00 177.10 174.23 2cqy s PRO 99 N -1.99 1.86 0.49 -0.60 0.04 -1.26 -5.07 135.00 128.46 2cqy s PRO 99 Ca 0.45 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.59 2cqy s PRO 99 Cb -0.17 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2cqy s PRO 99 CO 0.22 -1.88 0.36 1.03 0.04 0.00 0.00 177.00 176.76 2cqy s ARG 100 N -4.92 2.32 -1.58 4.56 1.81 -1.26 -4.66 118.95 115.22 2cqy s ARG 100 Ca 0.62 -1.86 -0.12 0.00 -1.72 0.00 0.00 55.73 52.64 2cqy s ARG 100 Cb -0.17 -2.15 0.10 0.00 -0.45 0.00 0.00 34.95 32.28 2cqy s ARG 100 CO 0.56 -0.42 0.73 1.58 -0.68 0.00 0.00 175.30 177.08 2cqy n HIS 101 N -1.61 -1.84 -2.83 -0.53 -0.00 -1.26 -4.90 115.22 102.25 2cqy n HIS 101 Ca -0.00 0.81 -0.41 0.00 0.46 0.00 0.00 57.72 58.58 2cqy n HIS 101 Cb 0.64 -3.40 -0.04 0.00 -0.12 0.00 0.00 29.99 27.07 2cqy n HIS 101 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2cqy s ILE 102 N -3.48 4.68 -0.52 3.57 2.07 -1.26 -4.92 121.20 121.34 2cqy s ILE 102 Ca 0.52 1.89 -0.39 0.00 -1.41 0.00 0.00 60.65 61.25 2cqy s ILE 102 Cb -0.28 -4.24 -0.17 0.00 0.13 0.00 0.00 42.46 37.91 2cqy s ILE 102 CO 0.90 0.30 2.23 -1.54 -1.91 0.00 0.00 174.94 174.92 2cqy n SER 103 N 3.05 1.14 -3.24 4.50 3.41 -1.26 -4.85 113.62 116.38 2cqy n SER 103 Ca 0.01 0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2cqy n SER 103 Cb 0.50 -1.03 0.01 0.00 -0.26 0.00 0.00 64.21 63.43 2cqy n SER 103 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqy s GLY 104 N 6.94 0.29 1.06 5.00 0.00 -1.26 -5.17 107.32 114.17 2cqy s GLY 104 Ca 1.18 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 2cqy s GLY 104 CO 0.58 -0.28 1.10 2.56 0.00 0.00 0.00 173.10 177.05 2cqy s PRO 105 N -2.85 -0.05 -0.29 2.90 0.04 -1.26 -5.09 135.00 128.40 2cqy s PRO 105 Ca 0.15 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.37 2cqy s PRO 105 Cb -0.05 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.93 2cqy s PRO 105 CO 0.10 -3.02 1.00 -1.12 0.04 0.00 0.00 177.00 174.00 2cqy s SER 106 N -3.55 -0.49 -0.28 6.66 0.01 -1.26 -5.17 113.70 109.62 2cqy s SER 106 Ca 0.67 0.81 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 2cqy s SER 106 Cb -0.17 1.11 0.13 0.00 0.21 0.00 0.00 66.02 67.30 2cqy s SER 106 CO 0.57 -0.13 1.03 -0.94 0.41 0.00 0.00 173.24 174.18 2cqy s SER 107 N 1.07 -0.46 0.00 2.44 1.04 -1.26 -5.36 113.70 111.17 2cqy s SER 107 Ca -0.06 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2cqy s SER 107 Cb -0.04 0.93 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2cqy s SER 107 CO -0.13 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.56