#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 4.89 0.27 1.61 0.01 -1.26 -5.13 113.70 114.10 2cqy s SER 2 Ca 0.00 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 2cqy s SER 2 Cb 0.00 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.12 2cqy s SER 2 CO 0.00 0.18 0.56 -0.94 0.41 0.00 0.00 173.24 173.44 2cqy s SER 3 N -2.29 -0.09 0.00 2.44 1.04 -1.26 -5.12 113.70 108.43 2cqy s SER 3 Ca 0.25 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2cqy s SER 3 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2cqy s SER 3 CO 0.17 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2cqy n GLY 4 N -0.42 1.17 3.46 7.32 0.00 -1.26 -5.06 105.19 110.40 2cqy n GLY 4 Ca -0.02 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 2cqy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqy s SER 5 N 0.00 6.78 -0.06 1.61 0.15 -1.26 -4.99 113.70 115.93 2cqy s SER 5 Ca 0.00 -2.37 0.03 0.00 0.70 0.00 0.00 55.95 54.31 2cqy s SER 5 Cb 0.00 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2cqy s SER 5 CO 0.00 -0.96 -0.13 -0.55 1.20 0.00 0.00 173.24 172.81 2cqy s SER 6 N 3.37 4.17 0.00 5.45 0.15 -1.26 -5.09 113.70 120.49 2cqy s SER 6 Ca 0.36 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2cqy s SER 6 Cb -0.04 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2cqy s SER 6 CO -0.06 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2cqy n GLY 7 N 2.35 0.75 3.22 9.45 0.00 -1.26 -5.18 105.19 114.51 2cqy n GLY 7 Ca -0.17 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 2cqy n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqy s ASP 8 N 0.00 0.21 -0.36 1.61 1.11 -1.26 -5.08 116.67 112.90 2cqy s ASP 8 Ca 0.00 -0.96 0.12 0.00 0.18 0.00 0.00 52.55 51.89 2cqy s ASP 8 Cb 0.00 0.34 0.45 0.00 1.07 0.00 0.00 42.92 44.78 2cqy s ASP 8 CO 0.00 -0.77 1.05 2.29 1.18 0.00 0.00 175.17 178.93 2cqy n LYS 9 N -0.10 2.38 -4.32 8.23 0.00 -1.26 -4.97 118.16 118.12 2cqy n LYS 9 Ca -0.09 -3.88 -0.32 0.00 -0.00 0.00 0.00 58.31 54.02 2cqy n LYS 9 Cb 0.63 -1.79 -0.10 0.00 -0.00 0.00 0.00 35.03 33.77 2cqy n LYS 9 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2cqy n ILE 10 N -0.35 -0.94 -3.19 0.58 3.06 -1.26 -4.88 119.36 112.39 2cqy n ILE 10 Ca 0.25 -0.47 -0.39 0.00 -2.50 0.00 0.00 62.75 59.64 2cqy n ILE 10 Cb 0.77 -0.96 -0.06 0.00 0.54 0.00 0.00 39.64 39.93 2cqy n ILE 10 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 2cqy s GLU 11 N -7.36 4.34 -0.18 9.51 -6.30 -1.26 -5.05 118.70 112.40 2cqy s GLU 11 Ca 0.05 0.61 -0.27 0.00 -2.50 0.00 0.00 54.97 52.85 2cqy s GLU 11 Cb -0.03 -3.48 0.08 0.00 0.00 0.00 0.00 34.13 30.70 2cqy s GLU 11 CO 1.00 0.03 0.75 -1.54 0.02 0.00 0.00 175.26 175.52 2cqy s SER 12 N 0.82 -0.67 -0.37 -1.70 1.04 -1.26 -5.13 113.70 106.44 2cqy s SER 12 Ca 0.30 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 2cqy s SER 12 Cb -0.16 1.01 0.10 0.00 0.10 0.00 0.00 66.02 67.06 2cqy s SER 12 CO 0.13 -0.38 0.12 -0.54 0.98 0.00 0.00 173.24 173.55 2cqy s LYS 13 N -0.30 1.95 0.00 4.02 1.02 -1.26 -4.94 119.74 120.24 2cqy s LYS 13 Ca -0.04 -1.72 0.13 0.00 0.02 0.00 0.00 55.97 54.36 2cqy s LYS 13 Cb -0.03 -3.39 0.75 0.00 -0.52 0.00 0.00 37.83 34.63 2cqy s LYS 13 CO 0.04 -0.94 1.43 1.47 -0.92 0.00 0.00 175.35 176.43 2cqy n LEU 14 N 4.51 0.00 -4.60 3.17 -0.00 -1.26 -4.77 117.00 114.04 2cqy n LEU 14 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.55 2cqy n LEU 14 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2cqy n LEU 14 CO 0.29 0.00 1.30 -0.76 -0.00 0.00 0.00 177.39 178.21 2cqy s LEU 15 N -1.42 3.58 -0.11 1.47 1.02 -1.26 -4.99 118.68 116.97 2cqy s LEU 15 Ca 0.19 0.95 0.01 0.00 0.02 0.00 0.00 54.13 55.29 2cqy s LEU 15 Cb 0.09 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.74 2cqy s LEU 15 CO 0.14 -1.48 -0.13 0.00 0.02 0.00 0.00 176.35 174.90 2cqy s ALA 16 N 5.71 2.64 -0.01 4.21 0.00 -1.26 -5.12 121.76 127.94 2cqy s ALA 16 Ca 0.65 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2cqy s ALA 16 Cb -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2cqy s ALA 16 CO 0.33 0.34 0.22 0.15 0.00 0.00 0.00 175.76 176.80 2cqy s LYS 17 N 0.03 0.58 -0.10 0.00 1.02 -1.26 -5.16 119.74 114.86 2cqy s LYS 17 Ca -0.04 -0.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 2cqy s LYS 17 Cb -0.14 0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2cqy s LYS 17 CO 0.04 -0.15 0.19 -1.59 -0.92 0.00 0.00 175.35 172.92 2cqy s LYS 18 N -1.36 0.07 -0.30 1.68 -2.85 -1.26 -5.12 119.74 110.59 2cqy s LYS 18 Ca -0.14 0.60 -0.16 0.00 -1.00 0.00 0.00 55.97 55.27 2cqy s LYS 18 Cb -0.06 -0.21 0.17 0.00 -2.06 0.00 0.00 37.83 35.67 2cqy s LYS 18 CO 0.03 -0.29 1.08 0.00 0.10 0.00 0.00 175.35 176.27 2cqy s ALA 19 N 2.27 -2.87 -0.42 0.59 0.00 -1.26 -5.12 121.76 114.95 2cqy s ALA 19 Ca 0.02 1.97 0.02 0.00 0.00 0.00 0.00 51.96 53.97 2cqy s ALA 19 Cb -0.12 -2.12 0.14 0.00 0.00 0.00 0.00 23.12 21.02 2cqy s ALA 19 CO -0.06 -0.93 0.24 -1.21 0.00 0.00 0.00 175.76 173.79 2cqy s GLU 20 N 2.27 1.06 0.06 0.00 8.01 -1.26 -5.12 118.70 123.73 2cqy s GLU 20 Ca -0.02 -1.83 0.01 0.00 0.01 0.00 0.00 54.97 53.15 2cqy s GLU 20 Cb -0.04 -1.99 -0.04 0.00 -4.31 0.00 0.00 34.13 27.75 2cqy s GLU 20 CO -0.17 -1.19 0.15 0.14 0.01 0.00 0.00 175.26 174.20 2cqy s VAL 21 N 0.52 4.99 -0.70 2.63 -7.23 -1.26 -3.57 120.40 115.78 2cqy s VAL 21 Ca 0.19 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2cqy s VAL 21 Cb -0.22 -3.41 0.18 0.00 0.56 0.00 0.00 36.38 33.49 2cqy s VAL 21 CO -0.01 0.16 0.56 0.21 -0.31 0.00 0.00 175.10 175.71 2cqy s ASN 22 N -2.38 5.72 0.31 4.85 2.47 -1.26 -4.97 114.94 119.68 2cqy s ASN 22 Ca 0.31 -2.88 0.01 0.00 0.42 0.00 0.00 52.86 50.72 2cqy s ASN 22 Cb -0.13 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.72 2cqy s ASN 22 CO 0.24 -0.41 0.04 1.07 -3.72 0.00 0.00 177.10 174.32 2cqy n THR 23 N 3.53 0.00 -2.32 -5.21 5.66 -1.26 -5.09 114.28 109.59 2cqy n THR 23 Ca 0.11 -1.44 -0.42 0.00 -3.05 0.00 0.00 64.05 59.24 2cqy n THR 23 Cb 0.40 0.20 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 2cqy n THR 23 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2cqy s ILE 24 N -2.04 3.92 -2.00 1.09 1.01 -1.26 -4.89 121.20 117.04 2cqy s ILE 24 Ca 0.03 1.29 0.10 0.00 0.00 0.00 0.00 60.65 62.08 2cqy s ILE 24 Cb -0.00 -3.83 0.30 0.00 0.01 0.00 0.00 42.46 38.94 2cqy s ILE 24 CO 0.02 0.00 1.06 -0.81 0.00 0.00 0.00 174.94 175.21 2cqy n PRO 25 N 5.23 0.49 0.00 2.79 -0.04 -1.26 -4.78 135.00 137.42 2cqy n PRO 25 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2cqy n PRO 25 Cb 0.45 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 3.94 3.12 0.55 0.00 -1.26 -4.47 105.19 107.05 2cqy n GLY 26 Ca 0.08 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.17 3.54 -1.05 1.61 5.36 -1.13 -4.93 117.98 120.21 2cqy s PHE 27 Ca 0.00 -2.46 0.03 0.00 -0.96 0.00 0.00 56.93 53.54 2cqy s PHE 27 Cb 0.00 -3.23 0.15 0.00 -0.34 0.00 0.00 43.02 39.60 2cqy s PHE 27 CO 0.00 -0.94 0.80 -0.25 -1.46 0.00 0.00 175.22 173.37 2cqy n ASP 28 N 4.35 1.71 -3.08 6.13 8.00 -1.26 -3.75 116.55 128.65 2cqy n ASP 28 Ca -0.00 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.35 2cqy n ASP 28 Cb 0.40 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.22 -0.62 3.03 0.44 0.00 -1.26 -5.02 105.19 101.99 2cqy n GLY 29 Ca 0.05 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 2cqy n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cqy s VAL 30 N 0.00 0.62 -0.02 1.61 1.01 -1.26 -4.66 120.40 117.69 2cqy s VAL 30 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2cqy s VAL 30 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2cqy s VAL 30 CO 0.00 -0.05 0.21 -0.69 0.00 0.00 0.00 175.10 174.58 2cqy s VAL 31 N -0.66 5.39 -0.24 2.92 1.01 -1.22 -5.02 120.40 122.59 2cqy s VAL 31 Ca -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2cqy s VAL 31 Cb -0.06 -3.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.63 2cqy s VAL 31 CO 0.00 0.40 -0.05 0.29 0.00 0.00 0.00 175.10 175.74 2cqy n LYS 32 N 1.23 0.60 -3.90 2.72 4.76 -1.26 -4.39 118.16 117.92 2cqy n LYS 32 Ca -0.13 0.38 -0.09 0.00 -2.87 0.00 0.00 58.31 55.60 2cqy n LYS 32 Cb 0.53 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 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 -7.12 0.16 0.29 4.39 1.01 -1.26 -5.04 116.67 109.10 2cqy s ASP 33 Ca -0.33 -0.60 -0.04 0.00 0.71 0.00 0.00 52.55 52.28 2cqy s ASP 33 Cb 0.10 0.29 0.56 0.00 1.01 0.00 0.00 42.92 44.88 2cqy s ASP 33 CO 0.57 -0.62 1.57 0.00 0.21 0.00 0.00 175.17 176.89 2cqy h ALA 34 N 3.16 0.85 -0.35 5.23 0.00 -1.94 0.18 119.26 126.40 2cqy h ALA 34 Ca -0.33 0.36 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2cqy h ALA 34 Cb 1.19 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 2cqy h ALA 34 CO 0.54 -0.46 -0.37 1.05 0.00 0.00 0.00 179.25 180.01 2cqy h GLU 35 N 0.01 -0.31 -1.00 0.00 4.11 -1.97 0.13 114.58 115.55 2cqy h GLU 35 Ca 0.52 0.02 0.08 0.00 0.07 0.00 0.00 59.36 60.05 2cqy h GLU 35 Cb 0.91 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2cqy h GLU 35 CO -0.96 -0.20 0.64 1.49 0.07 0.00 0.00 179.01 180.04 2cqy h GLU 36 N -0.32 1.08 -0.94 1.06 4.57 -1.08 -1.21 114.58 117.75 2cqy h GLU 36 Ca 0.14 -0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.36 2cqy h GLU 36 Cb 0.57 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 2cqy h GLU 36 CO -0.52 0.71 0.60 0.00 -1.18 0.00 0.00 179.01 178.63 2cqy h ALA 37 N 1.49 1.59 0.22 2.92 0.00 -0.17 -1.12 119.26 124.18 2cqy h ALA 37 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2cqy h ALA 37 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2cqy h ALA 37 CO -0.20 0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.44 2cqy h VAL 38 N 0.94 0.86 -0.07 0.00 2.07 -0.44 -1.09 116.25 118.51 2cqy h VAL 38 Ca 0.44 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2cqy h VAL 38 Cb 0.41 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2cqy h VAL 38 CO -0.20 0.11 -0.19 0.03 0.02 0.00 0.00 177.57 177.34 2cqy h ARG 39 N -0.55 -0.26 -0.48 1.57 3.08 -1.22 0.26 114.38 116.79 2cqy h ARG 39 Ca -0.03 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2cqy h ARG 39 Cb 0.40 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2cqy h ARG 39 CO 0.05 -0.17 0.21 0.82 -1.07 0.00 0.00 179.97 179.81 2cqy h ILE 40 N -0.27 0.91 0.07 2.04 2.04 -1.24 -2.33 117.51 118.74 2cqy h ILE 40 Ca 0.08 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2cqy h ILE 40 Cb 0.38 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2cqy h ILE 40 CO -0.22 0.08 -0.10 0.00 0.00 0.00 0.00 178.15 177.90 2cqy h ALA 41 N 1.28 -0.17 -0.98 1.87 0.00 -0.68 -2.12 119.26 118.46 2cqy h ALA 41 Ca 0.22 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2cqy h ALA 41 Cb 0.17 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2cqy h ALA 41 CO -0.18 -0.62 0.62 0.00 0.00 0.00 0.00 179.25 179.07 2cqy h ARG 42 N -0.21 0.56 -0.47 0.00 3.08 -0.63 0.11 114.38 116.82 2cqy h ARG 42 Ca 0.01 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2cqy h ARG 42 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2cqy h ARG 42 CO -0.05 0.37 -0.04 0.93 -1.07 0.00 0.00 179.97 180.12 2cqy h GLU 43 N 0.58 0.86 -0.32 0.04 4.39 -0.87 -3.00 114.58 116.27 2cqy h GLU 43 Ca 0.55 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 2cqy h GLU 43 Cb 1.11 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2cqy h GLU 43 CO -0.30 0.93 -0.27 0.82 -1.16 0.00 0.00 179.01 179.03 2cqy h ILE 44 N 0.71 1.27 -0.37 3.13 2.04 -0.30 -3.42 117.51 120.57 2cqy h ILE 44 Ca 0.13 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2cqy h ILE 44 Cb 0.56 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2cqy h ILE 44 CO 0.03 0.44 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2cqy n GLY 45 N -0.24 -0.22 3.40 5.37 0.00 0.04 -4.74 105.19 108.80 2cqy n GLY 45 Ca -0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 0.75 -1.46 -1.23 1.61 4.01 -1.26 -4.61 117.16 114.97 2cqy n TYR 46 Ca 0.00 0.33 -0.30 0.00 -0.16 0.00 0.00 57.90 57.77 2cqy n TYR 46 Cb 0.00 -1.84 0.12 0.00 -0.31 0.00 0.00 39.34 37.31 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 -2.45 1.65 -0.06 -0.72 0.04 -1.26 -5.02 135.00 127.18 2cqy s PRO 47 Ca 0.62 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2cqy s PRO 47 Cb -0.36 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2cqy s PRO 47 CO 0.61 -2.01 -0.01 0.14 0.04 0.00 0.00 177.00 175.78 2cqy s VAL 48 N -2.92 0.39 0.03 -0.36 -7.23 0.10 -2.89 120.40 107.51 2cqy s VAL 48 Ca 0.63 0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.64 2cqy s VAL 48 Cb -0.18 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.19 2cqy s VAL 48 CO 0.57 0.24 0.65 -0.32 -0.31 0.00 0.00 175.10 175.93 2cqy s MET 49 N 1.64 4.37 -0.09 4.82 1.75 -0.08 -0.89 119.30 130.82 2cqy s MET 49 Ca -0.00 0.86 0.03 0.00 -1.25 0.00 0.00 55.69 55.33 2cqy s MET 49 Cb -0.13 -3.33 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 2cqy s MET 49 CO -0.04 0.39 -0.18 0.42 -0.65 0.00 0.00 175.02 174.96 2cqy s ILE 50 N -0.32 2.67 0.13 10.11 1.01 0.25 -0.27 121.20 134.79 2cqy s ILE 50 Ca 0.33 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2cqy s ILE 50 Cb -0.19 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2cqy s ILE 50 CO 0.20 0.56 -0.11 -0.54 0.00 0.00 0.00 174.94 175.05 2cqy s LYS 51 N -0.01 1.01 -0.21 2.79 1.02 -0.73 -2.54 119.74 121.07 2cqy s LYS 51 Ca -0.06 -1.36 -0.29 0.00 0.02 0.00 0.00 55.97 54.28 2cqy s LYS 51 Cb -0.15 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.52 2cqy s LYS 51 CO 0.05 0.09 1.20 0.00 -0.92 0.00 0.00 175.35 175.77 2cqy s ALA 52 N -2.98 3.61 0.21 5.17 0.00 -1.26 0.76 121.76 127.27 2cqy s ALA 52 Ca 0.13 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 2cqy s ALA 52 Cb 0.00 -3.63 0.29 0.00 0.00 0.00 0.00 23.12 19.78 2cqy s ALA 52 CO 0.01 -1.27 1.66 1.03 0.00 0.00 0.00 175.76 177.19 2cqy h SER 53 N 8.21 -0.28 -0.89 0.00 0.87 -1.73 1.56 113.55 121.28 2cqy h SER 53 Ca -0.24 0.15 0.20 0.00 -1.23 0.00 0.00 61.79 60.68 2cqy h SER 53 Cb 1.09 0.27 -0.12 0.00 -0.44 0.00 0.00 62.40 63.21 2cqy h SER 53 CO 0.99 -0.12 0.42 0.00 -0.53 0.00 0.00 176.83 177.59 2cqy h ALA 54 N 1.56 1.42 -0.40 6.23 0.00 -1.76 -3.33 119.26 122.98 2cqy h ALA 54 Ca 0.32 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 55.08 2cqy h ALA 54 Cb 0.52 0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.22 2cqy h ALA 54 CO -0.53 -0.28 -0.61 0.41 0.00 0.00 0.00 179.25 178.23 2cqy n GLY 55 N -1.33 0.66 0.00 0.00 0.00 0.12 -5.07 105.19 99.57 2cqy n GLY 55 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.47 -0.37 0.00 -0.02 0.00 0.51 -4.55 105.19 102.23 2cqy n GLY 56 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.41 1.74 0.00 -0.02 0.00 -1.26 -4.67 105.19 104.39 2cqy n GLY 57 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.89 0.67 -0.02 0.00 -1.26 -5.09 105.19 98.59 2cqy n GLY 58 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2cqy n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqy n LYS 59 N 0.00 0.14 -2.72 1.61 4.81 -1.26 -4.92 118.16 115.82 2cqy n LYS 59 Ca 0.00 0.05 -0.04 0.00 -0.87 0.00 0.00 58.31 57.46 2cqy n LYS 59 Cb 0.00 -0.79 0.09 0.00 0.02 0.00 0.00 35.03 34.35 2cqy n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cqy n GLY 60 N 2.71 1.74 2.54 3.14 0.00 -1.26 -5.13 105.19 108.93 2cqy n GLY 60 Ca -0.12 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.86 -0.28 -4.33 1.61 0.00 -1.26 -5.09 117.12 106.91 2cqy n MET 61 Ca -0.04 -1.60 -0.25 0.00 0.00 0.00 0.00 57.70 55.81 2cqy n MET 61 Cb 0.84 -0.63 -0.09 0.00 0.00 0.00 0.00 33.22 33.35 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 -4.48 2.09 0.01 3.17 3.52 -1.05 -5.02 118.95 117.18 2cqy s ARG 62 Ca 0.46 -1.42 0.04 0.00 -0.13 0.00 0.00 55.73 54.68 2cqy s ARG 62 Cb -0.02 -2.09 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2cqy s ARG 62 CO 0.31 0.38 -0.12 0.42 -0.81 0.00 0.00 175.30 175.48 2cqy s ILE 63 N -2.12 0.97 0.14 4.11 1.01 -1.26 -0.58 121.20 123.47 2cqy s ILE 63 Ca 0.29 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.37 2cqy s ILE 63 Cb -0.07 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2cqy s ILE 63 CO 0.17 0.17 -0.18 0.00 0.00 0.00 0.00 174.94 175.11 2cqy s ALA 64 N -0.47 2.69 -0.01 9.38 0.00 -0.07 -4.93 121.76 128.35 2cqy s ALA 64 Ca 0.03 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2cqy s ALA 64 Cb -0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2cqy s ALA 64 CO 0.00 0.55 0.04 0.91 0.00 0.00 0.00 175.76 177.26 2cqy n TRP 65 N 0.62 0.00 -3.82 0.00 7.02 -1.26 -0.73 117.44 119.27 2cqy n TRP 65 Ca -0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.24 2cqy n TRP 65 Cb 0.53 -0.03 -0.07 0.00 -2.42 0.00 0.00 31.31 29.33 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 -2.01 0.04 0.30 -0.99 1.47 -1.26 -4.75 116.67 109.47 2cqy s ASP 66 Ca -0.00 -0.61 0.01 0.00 1.18 0.00 0.00 52.55 53.13 2cqy s ASP 66 Cb 0.01 0.38 0.73 0.00 -0.34 0.00 0.00 42.92 43.70 2cqy s ASP 66 CO 0.06 -0.77 1.59 0.44 0.68 0.00 0.00 175.17 177.17 2cqy h ASP 67 N 2.65 -0.35 -0.44 2.11 3.32 -1.97 0.50 116.42 122.24 2cqy h ASP 67 Ca -0.34 0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.04 2cqy h ASP 67 Cb 1.21 0.42 -0.06 0.00 0.22 0.00 0.00 39.33 41.12 2cqy h ASP 67 CO 0.54 -0.30 0.06 1.05 -1.72 0.00 0.00 179.24 178.86 2cqy h GLU 68 N 0.05 0.18 -0.05 3.56 4.11 -2.01 -2.54 114.58 117.88 2cqy h GLU 68 Ca 0.58 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.98 2cqy h GLU 68 Cb 1.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2cqy h GLU 68 CO -0.84 0.12 -0.02 0.93 0.07 0.00 0.00 179.01 179.26 2cqy h GLU 69 N 0.18 0.11 -0.98 1.06 5.08 -0.54 -2.65 114.58 116.83 2cqy h GLU 69 Ca 0.22 -0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.82 2cqy h GLU 69 Cb 0.29 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.36 2cqy h GLU 69 CO -0.31 0.49 0.12 1.15 -1.00 0.00 0.00 179.01 179.46 2cqy h THR 70 N -0.27 0.03 -0.07 1.13 2.02 -0.41 0.33 112.91 115.68 2cqy h THR 70 Ca 0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2cqy h THR 70 Cb 0.45 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2cqy h THR 70 CO 0.01 0.00 -0.20 0.03 0.37 0.00 0.00 175.52 175.74 2cqy h ARG 71 N 0.02 0.25 -0.50 6.66 3.08 -1.43 -1.54 114.38 120.92 2cqy h ARG 71 Ca 0.64 -0.18 0.10 0.00 0.07 0.00 0.00 59.98 60.61 2cqy h ARG 71 Cb 1.39 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.38 2cqy h ARG 71 CO -0.88 0.80 -0.12 0.22 -1.07 0.00 0.00 179.97 178.91 2cqy h ASP 72 N -0.26 -0.46 0.34 7.04 3.58 -0.09 0.15 116.42 126.73 2cqy h ASP 72 Ca -0.01 0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.44 2cqy h ASP 72 Cb 0.81 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2cqy h ASP 72 CO 0.04 -0.16 -0.64 1.23 -2.88 0.00 0.00 179.24 176.83 2cqy h GLY 73 N -0.00 0.31 1.01 -0.78 0.00 -0.96 -3.12 103.07 99.53 2cqy h GLY 73 Ca 0.24 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2cqy h GLY 73 CO -0.51 0.36 0.20 -2.75 0.00 0.00 0.00 176.54 173.84 2cqy h PHE 74 N 0.20 1.00 -0.54 5.60 3.57 -0.13 0.51 116.94 127.16 2cqy h PHE 74 Ca -0.01 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2cqy h PHE 74 Cb 1.17 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2cqy h PHE 74 CO 0.03 0.82 0.32 0.00 -2.23 0.00 0.00 178.31 177.25 2cqy h ARG 75 N 0.90 0.73 0.12 1.11 3.08 -0.75 -1.59 114.38 117.98 2cqy h ARG 75 Ca 0.20 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2cqy h ARG 75 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2cqy h ARG 75 CO -0.01 0.54 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.30 2cqy h LEU 76 N 0.72 -0.14 -1.57 3.04 3.38 -1.46 -3.17 115.31 116.12 2cqy h LEU 76 Ca 0.19 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.49 2cqy h LEU 76 Cb -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2cqy h LEU 76 CO -0.04 0.24 1.04 0.28 0.09 0.00 0.00 178.44 180.06 2cqy h SER 77 N -0.84 0.00 0.43 -0.43 0.02 -0.06 0.11 113.55 112.78 2cqy h SER 77 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2cqy h SER 77 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2cqy h SER 77 CO 0.03 0.00 -0.21 -1.28 -1.14 0.00 0.00 176.83 174.23 2cqy h SER 78 N 0.00 -0.49 -0.75 3.07 0.87 -1.35 -2.78 113.55 112.13 2cqy h SER 78 Ca 0.53 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 61.11 2cqy h SER 78 Cb 2.61 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 64.65 2cqy h SER 78 CO -0.01 -0.06 0.49 0.06 -0.53 0.00 0.00 176.83 176.79 2cqy h GLN 79 N -1.11 0.79 0.33 2.24 3.07 -0.82 -2.60 115.11 117.01 2cqy h GLN 79 Ca -0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 2cqy h GLN 79 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2cqy h GLN 79 CO 0.10 0.53 -0.26 0.93 0.09 0.00 0.00 178.83 180.21 2cqy h GLU 80 N 0.82 -0.58 -0.85 0.06 4.39 -1.21 0.18 114.58 117.40 2cqy h GLU 80 Ca 0.32 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.21 2cqy h GLU 80 Cb 0.21 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 2cqy h GLU 80 CO -0.11 -0.39 0.55 0.00 -1.16 0.00 0.00 179.01 177.91 2cqy h ALA 81 N -0.01 1.96 0.50 3.43 0.00 -1.17 0.72 119.26 124.68 2cqy h ALA 81 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2cqy h ALA 81 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cqy h ALA 81 CO -0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 179.25 178.80 2cqy h ALA 82 N 1.62 -0.67 0.00 0.00 0.00 -1.09 0.14 119.26 119.25 2cqy h ALA 82 Ca 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2cqy h ALA 82 Cb 0.80 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2cqy h ALA 82 CO -0.17 -0.65 0.00 0.45 0.00 0.00 0.00 179.25 178.87 2cqy n SER 83 N -5.23 0.33 -0.06 0.00 2.88 -0.00 -1.17 113.62 110.35 2cqy n SER 83 Ca -0.09 0.59 -0.04 0.00 -1.33 0.00 0.00 58.87 58.00 2cqy n SER 83 Cb 0.29 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.08 2cqy n SER 83 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cqy h SER 84 N 0.00 0.00 0.00 -3.46 0.02 0.51 -3.46 113.55 107.16 2cqy h SER 84 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2cqy h SER 84 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2cqy h SER 84 CO 0.00 0.69 -1.14 0.49 -1.14 0.00 0.00 176.83 175.72 2cqy n PHE 85 N -4.55 0.00 0.00 3.45 3.01 0.24 -5.06 117.46 114.56 2cqy n PHE 85 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2cqy n PHE 85 Cb 0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 3.18 1.25 3.45 1.37 0.00 0.22 -4.97 105.19 109.68 2cqy n GLY 86 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.27 6.34 0.61 1.61 1.11 -1.22 -4.59 116.67 120.26 2cqy s ASP 87 Ca 0.00 -1.40 0.31 0.00 0.18 0.00 0.00 52.55 51.63 2cqy s ASP 87 Cb 0.00 -2.41 1.70 0.00 1.07 0.00 0.00 42.92 43.28 2cqy s ASP 87 CO 0.00 -1.29 2.05 -2.24 1.18 0.00 0.00 175.17 174.87 2cqy h ASP 88 N 9.29 0.00 -1.62 0.27 2.03 -1.80 -3.38 116.42 121.21 2cqy h ASP 88 Ca -0.12 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.70 2cqy h ASP 88 Cb 1.05 0.00 0.16 0.00 -0.83 0.00 0.00 39.33 39.71 2cqy h ASP 88 CO 1.16 0.00 -1.06 0.54 -1.03 0.00 0.00 179.24 178.85 2cqy n ARG 89 N -3.51 0.00 -4.41 4.15 1.74 -1.26 -4.60 116.66 108.77 2cqy n ARG 89 Ca 0.02 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 2cqy n ARG 89 Cb 0.38 -0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 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 4.58 1.90 0.08 0.55 1.43 -1.26 -2.82 118.68 123.13 2cqy s LEU 90 Ca 0.43 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 2cqy s LEU 90 Cb -0.35 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2cqy s LEU 90 CO 0.56 -0.75 -0.06 -0.76 0.23 0.00 0.00 176.35 175.57 2cqy s LEU 91 N -3.44 2.48 -0.04 1.79 1.43 0.23 -3.39 118.68 117.73 2cqy s LEU 91 Ca 0.34 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2cqy s LEU 91 Cb 0.07 0.00 0.03 0.00 0.03 0.00 0.00 46.19 46.32 2cqy s LEU 91 CO 0.15 -0.48 0.08 -0.63 0.23 0.00 0.00 176.35 175.70 2cqy s ILE 92 N -3.45 -0.07 0.17 -0.59 1.01 -1.25 -1.77 121.20 115.26 2cqy s ILE 92 Ca 0.08 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.99 2cqy s ILE 92 Cb 0.04 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.32 2cqy s ILE 92 CO -0.06 0.09 -0.04 -1.61 0.00 0.00 0.00 174.94 173.33 2cqy s GLU 93 N 1.26 1.13 0.01 2.79 0.41 0.63 -2.85 118.70 122.08 2cqy s GLU 93 Ca -0.07 -1.53 -0.30 0.00 -0.41 0.00 0.00 54.97 52.66 2cqy s GLU 93 Cb -0.12 -0.48 -0.04 0.00 -1.78 0.00 0.00 34.13 31.71 2cqy s GLU 93 CO -0.04 -0.04 1.15 0.21 -0.49 0.00 0.00 175.26 176.05 2cqy s LYS 94 N -3.84 4.43 -0.32 1.61 2.47 -1.26 -0.90 119.74 121.93 2cqy s LYS 94 Ca 0.22 1.67 -0.12 0.00 -1.56 0.00 0.00 55.97 56.18 2cqy s LYS 94 Cb 0.05 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.96 2cqy s LYS 94 CO 0.03 -0.28 0.21 0.12 0.16 0.00 0.00 175.35 175.59 2cqy s PHE 95 N 1.43 3.21 -0.24 4.03 2.19 -1.14 -4.76 117.98 122.70 2cqy s PHE 95 Ca 0.56 -0.23 0.01 0.00 0.33 0.00 0.00 56.93 57.60 2cqy s PHE 95 Cb -0.26 -2.43 0.06 0.00 -1.31 0.00 0.00 43.02 39.08 2cqy s PHE 95 CO 0.26 -0.34 -0.04 0.42 1.83 0.00 0.00 175.22 177.35 2cqy s ILE 96 N 1.70 1.51 0.05 3.12 1.01 -1.26 -4.34 121.20 123.00 2cqy s ILE 96 Ca 0.06 -1.28 -0.26 0.00 0.00 0.00 0.00 60.65 59.17 2cqy s ILE 96 Cb -0.17 -1.82 -0.13 0.00 0.01 0.00 0.00 42.46 40.34 2cqy s ILE 96 CO 0.10 -0.17 1.40 -0.78 0.00 0.00 0.00 174.94 175.49 2cqy h ASP 97 N 7.95 -0.91 -3.61 3.58 3.58 -2.00 -3.42 116.42 121.59 2cqy h ASP 97 Ca -0.17 0.06 -0.51 0.00 0.42 0.00 0.00 57.03 56.83 2cqy h ASP 97 Cb 1.07 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 42.36 2cqy h ASP 97 CO 0.42 -0.53 0.17 0.54 -2.88 0.00 0.00 179.24 176.96 2cqy s ASN 98 N -3.58 7.20 0.00 2.28 2.20 -1.26 -4.94 114.94 116.83 2cqy s ASN 98 Ca -0.13 1.55 0.15 0.00 -0.94 0.00 0.00 52.86 53.49 2cqy s ASN 98 Cb 0.02 -2.47 0.81 0.00 -2.00 0.00 0.00 41.25 37.61 2cqy s ASN 98 CO 0.42 0.06 1.39 -0.81 -2.94 0.00 0.00 177.10 175.22 2cqy n PRO 99 N 0.93 0.30 -1.44 3.55 -0.04 -1.26 -4.87 135.00 132.16 2cqy n PRO 99 Ca -0.02 0.10 -0.52 0.00 -0.04 0.00 0.00 63.50 63.02 2cqy n PRO 99 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2cqy n PRO 99 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2cqy n ARG 100 N -1.20 0.08 -3.41 0.54 0.63 -1.26 -4.96 116.66 107.08 2cqy n ARG 100 Ca 0.08 0.03 0.02 0.00 -0.92 0.00 0.00 57.85 57.06 2cqy n ARG 100 Cb 0.10 -1.22 -0.03 0.00 0.45 0.00 0.00 32.46 31.76 2cqy n ARG 100 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2cqy s HIS 101 N -0.65 -1.06 -0.08 -0.14 3.76 -1.26 -5.12 115.29 110.74 2cqy s HIS 101 Ca 0.73 1.59 -0.00 0.00 -0.15 0.00 0.00 55.06 57.22 2cqy s HIS 101 Cb -1.03 0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.23 2cqy s HIS 101 CO 0.56 -0.54 -0.05 0.42 -0.85 0.00 0.00 174.74 174.28 2cqy s ILE 102 N 2.74 0.75 0.77 0.60 1.01 -1.26 -5.14 121.20 120.66 2cqy s ILE 102 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2cqy s ILE 102 Cb -0.10 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.62 2cqy s ILE 102 CO -0.18 0.31 1.10 -0.55 0.00 0.00 0.00 174.94 175.62 2cqy s SER 103 N 1.55 4.47 0.00 3.58 0.15 -1.26 -4.90 113.70 117.29 2cqy s SER 103 Ca 0.00 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2cqy s SER 103 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2cqy s SER 103 CO -0.05 -2.06 0.00 0.61 1.20 0.00 0.00 173.24 172.95 2cqy n GLY 104 N -0.98 1.18 3.56 9.45 0.00 -1.26 -5.03 105.19 112.12 2cqy n GLY 104 Ca 0.10 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2cqy n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqy s PRO 105 N 0.00 2.54 0.02 1.61 0.04 -1.26 -4.90 135.00 133.05 2cqy s PRO 105 Ca 0.00 -0.45 -0.38 0.00 0.04 0.00 0.00 61.00 60.21 2cqy s PRO 105 Cb 0.00 -5.09 -0.18 0.00 0.04 0.00 0.00 34.50 29.27 2cqy s PRO 105 CO 0.00 -3.49 1.31 0.45 0.04 0.00 0.00 177.00 175.31 2cqy n SER 106 N 14.07 1.27 -4.74 6.66 2.88 -1.23 -4.91 113.62 127.61 2cqy n SER 106 Ca 0.41 1.13 -0.39 0.00 -1.33 0.00 0.00 58.87 58.69 2cqy n SER 106 Cb 0.47 -1.11 -0.05 0.00 -0.75 0.00 0.00 64.21 62.77 2cqy n SER 106 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqy s SER 107 N 0.68 6.97 0.00 -3.46 0.15 -1.26 -4.89 113.70 111.89 2cqy s SER 107 Ca 0.88 1.16 0.28 0.00 0.70 0.00 0.00 55.95 58.97 2cqy s SER 107 Cb -1.06 -2.38 1.10 0.00 -1.71 0.00 0.00 66.02 61.96 2cqy s SER 107 CO 0.52 0.02 1.77 0.61 1.20 0.00 0.00 173.24 177.36