#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 -0.48 0.99 1.61 0.01 -1.26 -5.18 113.70 109.39 2cqy s SER 2 Ca 0.00 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.09 2cqy s SER 2 Cb 0.00 0.52 0.19 0.00 0.21 0.00 0.00 66.02 66.94 2cqy s SER 2 CO 0.00 -0.85 1.18 -0.94 0.41 0.00 0.00 173.24 173.03 2cqy s SER 3 N -2.66 2.85 0.00 2.44 1.04 -1.26 -5.05 113.70 111.06 2cqy s SER 3 Ca 0.03 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2cqy s SER 3 Cb -0.01 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.02 2cqy s SER 3 CO -0.11 -2.94 0.00 0.61 0.98 0.00 0.00 173.24 171.78 2cqy n GLY 4 N -2.32 3.99 3.61 7.32 0.00 -1.26 -5.18 105.19 111.35 2cqy n GLY 4 Ca 0.10 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2cqy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqy s SER 5 N 0.00 -0.38 0.54 1.61 0.01 -1.26 -5.16 113.70 109.06 2cqy s SER 5 Ca 0.00 0.60 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 2cqy s SER 5 Cb 0.00 0.56 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 2cqy s SER 5 CO 0.00 -0.22 1.07 -0.55 0.41 0.00 0.00 173.24 173.95 2cqy s SER 6 N -0.38 5.98 -0.49 2.44 0.15 -1.26 -5.03 113.70 115.11 2cqy s SER 6 Ca 0.02 1.96 0.03 0.00 0.70 0.00 0.00 55.95 58.65 2cqy s SER 6 Cb -0.03 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 2cqy s SER 6 CO -0.04 -1.03 0.28 -0.83 1.20 0.00 0.00 173.24 172.82 2cqy s GLY 7 N -2.18 1.97 -0.09 9.45 0.00 -1.26 -5.08 107.32 110.13 2cqy s GLY 7 Ca 0.67 -2.89 -0.12 0.00 0.00 0.00 0.00 44.72 42.39 2cqy s GLY 7 CO 0.27 1.41 0.31 0.99 0.00 0.00 0.00 173.10 176.07 2cqy s ASP 8 N -0.03 -0.28 0.11 1.64 1.01 -1.26 -5.17 116.67 112.69 2cqy s ASP 8 Ca 0.19 0.46 0.04 0.00 0.71 0.00 0.00 52.55 53.95 2cqy s ASP 8 Cb -0.20 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.23 2cqy s ASP 8 CO -0.03 -0.20 -0.10 -1.59 0.21 0.00 0.00 175.17 173.45 2cqy s LYS 9 N -0.27 0.91 -0.80 8.23 0.00 -1.26 -5.10 119.74 121.45 2cqy s LYS 9 Ca -0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 55.97 54.57 2cqy s LYS 9 Cb -0.03 -0.56 0.21 0.00 0.00 0.00 0.00 37.83 37.45 2cqy s LYS 9 CO 0.01 0.08 0.71 0.42 0.00 0.00 0.00 175.35 176.57 2cqy s ILE 10 N -2.74 5.12 -0.09 3.79 1.01 -1.26 -5.01 121.20 122.02 2cqy s ILE 10 Ca 0.09 -2.72 -0.00 0.00 0.00 0.00 0.00 60.65 58.02 2cqy s ILE 10 Cb -0.01 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.30 2cqy s ILE 10 CO -0.00 -1.01 -0.06 -0.70 0.00 0.00 0.00 174.94 173.17 2cqy s GLU 11 N -0.06 1.26 -0.11 2.79 -6.30 -1.26 -5.13 118.70 109.90 2cqy s GLU 11 Ca 0.19 -0.18 -0.29 0.00 -2.50 0.00 0.00 54.97 52.19 2cqy s GLU 11 Cb -0.12 -1.33 0.07 0.00 0.00 0.00 0.00 34.13 32.75 2cqy s GLU 11 CO -0.08 -0.21 0.70 0.45 0.02 0.00 0.00 175.26 176.15 2cqy s SER 12 N 1.51 -0.67 -0.75 -1.70 0.15 -1.26 -5.11 113.70 105.87 2cqy s SER 12 Ca 0.00 0.89 -0.26 0.00 0.70 0.00 0.00 55.95 57.27 2cqy s SER 12 Cb -0.13 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2cqy s SER 12 CO -0.05 -0.51 1.41 -0.54 1.20 0.00 0.00 173.24 174.75 2cqy s LYS 13 N -0.80 3.12 -0.07 5.44 -0.14 -1.26 -4.99 119.74 121.04 2cqy s LYS 13 Ca -0.08 -0.18 -0.01 0.00 -1.36 0.00 0.00 55.97 54.34 2cqy s LYS 13 Cb -0.01 -4.35 -0.03 0.00 -1.68 0.00 0.00 37.83 31.76 2cqy s LYS 13 CO 0.07 -2.28 -0.00 -1.17 -0.76 0.00 0.00 175.35 171.21 2cqy s LEU 14 N 6.34 3.54 -0.05 3.17 2.96 -1.26 -5.04 118.68 128.34 2cqy s LEU 14 Ca 0.42 0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.23 2cqy s LEU 14 Cb -0.08 -1.84 -0.16 0.00 0.50 0.00 0.00 46.19 44.61 2cqy s LEU 14 CO 0.13 0.36 0.91 0.25 -1.32 0.00 0.00 176.35 176.68 2cqy h LEU 15 N 5.04 -0.17 -2.42 -0.68 5.85 -2.10 -3.47 115.31 117.37 2cqy h LEU 15 Ca -0.50 -0.38 -0.57 0.00 0.84 0.00 0.00 57.88 57.27 2cqy h LEU 15 Cb 1.19 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 2cqy h LEU 15 CO 0.55 0.39 -0.95 0.00 -0.34 0.00 0.00 178.44 178.08 2cqy n ALA 16 N -2.55 -2.15 -3.02 1.25 0.00 -1.26 -4.95 120.51 107.84 2cqy n ALA 16 Ca -0.08 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 2cqy n ALA 16 Cb 0.27 -1.52 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 2cqy n ALA 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cqy s LYS 17 N -7.06 1.23 -0.49 0.00 2.20 -1.26 -5.11 119.74 109.25 2cqy s LYS 17 Ca 0.11 -0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 2cqy s LYS 17 Cb -0.06 -1.11 0.12 0.00 -1.51 0.00 0.00 37.83 35.27 2cqy s LYS 17 CO 0.95 0.15 0.39 0.15 -0.36 0.00 0.00 175.35 176.64 2cqy s LYS 18 N 0.18 2.64 -0.62 4.03 -0.14 -1.26 -5.04 119.74 119.52 2cqy s LYS 18 Ca -0.04 -1.75 -0.28 0.00 -1.36 0.00 0.00 55.97 52.55 2cqy s LYS 18 Cb -0.10 -4.05 0.02 0.00 -1.68 0.00 0.00 37.83 32.03 2cqy s LYS 18 CO 0.01 -1.24 1.36 0.00 -0.76 0.00 0.00 175.35 174.72 2cqy s ALA 19 N 1.44 2.78 -0.00 5.17 0.00 -1.26 -4.97 121.76 124.92 2cqy s ALA 19 Ca 0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2cqy s ALA 19 Cb -0.27 -4.15 -0.00 0.00 0.00 0.00 0.00 23.12 18.69 2cqy s ALA 19 CO 0.00 -3.06 0.10 -2.00 0.00 0.00 0.00 175.76 170.81 2cqy s GLU 20 N 5.58 0.38 -0.33 0.00 2.12 -1.26 -5.07 118.70 120.12 2cqy s GLU 20 Ca 0.46 -0.32 0.13 0.00 0.36 0.00 0.00 54.97 55.61 2cqy s GLU 20 Cb -0.09 0.16 0.46 0.00 0.26 0.00 0.00 34.13 34.91 2cqy s GLU 20 CO 0.22 -0.08 1.09 1.33 -0.54 0.00 0.00 175.26 177.27 2cqy n VAL 21 N 1.81 1.79 -2.60 3.70 0.24 -1.26 -4.87 118.33 117.14 2cqy n VAL 21 Ca -0.21 -3.81 -0.27 0.00 -2.04 0.00 0.00 64.34 58.02 2cqy n VAL 21 Cb 0.56 -0.13 -0.01 0.00 -1.47 0.00 0.00 33.84 32.79 2cqy n VAL 21 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2cqy n ASN 22 N -0.45 4.58 -4.48 -1.34 4.13 -1.26 -5.04 115.26 111.40 2cqy n ASN 22 Ca 0.25 -3.69 -0.33 0.00 1.68 0.00 0.00 54.58 52.48 2cqy n ASN 22 Cb 0.81 -0.49 -0.13 0.00 -1.54 0.00 0.00 39.78 38.44 2cqy n ASN 22 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2cqy s THR 23 N -5.23 3.57 -0.16 3.41 -4.23 -1.26 -4.99 115.64 106.75 2cqy s THR 23 Ca 0.48 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.45 2cqy s THR 23 Cb 0.37 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 2cqy s THR 23 CO -0.17 0.53 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.80 2cqy s ILE 24 N 0.07 4.17 -1.66 2.99 1.01 -1.23 -4.98 121.20 121.57 2cqy s ILE 24 Ca -0.02 -0.26 0.15 0.00 0.00 0.00 0.00 60.65 60.52 2cqy s ILE 24 Cb -0.14 -2.84 0.33 0.00 0.01 0.00 0.00 42.46 39.82 2cqy s ILE 24 CO 0.03 0.48 1.38 -0.81 0.00 0.00 0.00 174.94 176.03 2cqy n PRO 25 N 3.51 0.32 -3.86 2.79 -0.04 -1.26 -4.39 135.00 132.08 2cqy n PRO 25 Ca -0.17 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.29 2cqy n PRO 25 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2cqy n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cqy s GLY 26 N -2.34 0.14 -0.16 0.55 0.00 -1.26 -3.97 107.32 100.27 2cqy s GLY 26 Ca 0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 2cqy s GLY 26 CO 0.21 -0.37 0.91 -0.12 0.00 0.00 0.00 173.10 173.73 2cqy s PHE 27 N -3.93 -0.48 0.00 1.90 5.36 -1.24 -4.95 117.98 114.64 2cqy s PHE 27 Ca 0.14 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2cqy s PHE 27 Cb -0.02 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 2cqy s PHE 27 CO 0.03 -0.39 0.00 -0.25 -1.46 0.00 0.00 175.22 173.16 2cqy n ASP 28 N 1.17 1.66 -3.95 6.13 8.00 -1.26 -4.36 116.55 123.94 2cqy n ASP 28 Ca -0.13 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.10 2cqy n ASP 28 Cb 0.57 0.08 -0.17 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.89 -0.43 2.95 0.44 0.00 -1.26 -4.72 105.19 104.05 2cqy n GLY 29 Ca 0.00 0.49 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 5.68 1.26 -2.09 1.61 3.14 -1.26 -4.89 118.33 121.79 2cqy n VAL 30 Ca 0.59 -0.44 -0.32 0.00 -2.96 0.00 0.00 64.34 61.21 2cqy n VAL 30 Cb 0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.85 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 -1.13 4.32 -0.21 1.55 1.01 -1.23 -4.97 120.40 119.73 2cqy s VAL 31 Ca 0.55 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2cqy s VAL 31 Cb -0.71 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 31.88 2cqy s VAL 31 CO 0.52 -0.76 -0.12 0.29 0.00 0.00 0.00 175.10 175.02 2cqy n LYS 32 N -2.14 0.72 -3.67 2.72 4.76 -1.26 -4.55 118.16 114.74 2cqy n LYS 32 Ca 0.07 0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.50 2cqy n LYS 32 Cb 0.54 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 -5.92 -0.34 0.19 4.39 1.11 -1.26 -5.03 116.67 109.81 2cqy s ASP 33 Ca -0.24 -0.37 -0.17 0.00 0.18 0.00 0.00 52.55 51.95 2cqy s ASP 33 Cb 0.07 0.60 0.16 0.00 1.07 0.00 0.00 42.92 44.81 2cqy s ASP 33 CO 0.59 -1.06 1.62 0.00 1.18 0.00 0.00 175.17 177.51 2cqy h ALA 34 N 2.13 0.19 -0.70 5.23 0.00 -1.94 0.24 119.26 124.42 2cqy h ALA 34 Ca -0.29 0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.93 2cqy h ALA 34 Cb 1.27 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 2cqy h ALA 34 CO 0.36 -0.53 0.25 1.05 0.00 0.00 0.00 179.25 180.38 2cqy h GLU 35 N -0.09 0.38 -0.26 0.00 4.11 -1.98 0.87 114.58 117.61 2cqy h GLU 35 Ca 0.24 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.59 2cqy h GLU 35 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2cqy h GLU 35 CO -0.58 0.25 -0.11 1.49 0.07 0.00 0.00 179.01 180.13 2cqy h GLU 36 N 0.39 0.44 -0.08 1.06 4.57 -1.43 -2.41 114.58 117.12 2cqy h GLU 36 Ca 0.38 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.36 2cqy h GLU 36 Cb 0.55 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2cqy h GLU 36 CO -0.39 0.56 -0.33 0.00 -1.18 0.00 0.00 179.01 177.67 2cqy h ALA 37 N 1.48 1.31 -0.14 2.92 0.00 0.85 -2.20 119.26 123.48 2cqy h ALA 37 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2cqy h ALA 37 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2cqy h ALA 37 CO 0.03 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 179.92 2cqy h VAL 38 N 0.13 1.34 0.49 0.00 2.07 -0.77 -2.48 116.25 117.04 2cqy h VAL 38 Ca 0.02 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2cqy h VAL 38 Cb 0.65 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2cqy h VAL 38 CO 0.05 0.36 -0.24 0.03 0.02 0.00 0.00 177.57 177.79 2cqy h ARG 39 N -0.04 -0.64 -0.73 1.57 3.08 -1.41 -2.16 114.38 114.05 2cqy h ARG 39 Ca 0.02 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.27 2cqy h ARG 39 Cb 0.63 0.14 -0.11 0.00 0.08 0.00 0.00 29.97 30.72 2cqy h ARG 39 CO 0.03 -0.37 0.21 0.82 -1.07 0.00 0.00 179.97 179.59 2cqy h ILE 40 N -0.79 0.55 0.36 2.04 2.04 -1.49 -1.80 117.51 118.43 2cqy h ILE 40 Ca -0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2cqy h ILE 40 Cb 0.56 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2cqy h ILE 40 CO 0.11 0.06 -0.27 0.00 0.00 0.00 0.00 178.15 178.04 2cqy h ALA 41 N 1.59 -0.63 -0.74 1.87 0.00 -1.33 -1.46 119.26 118.56 2cqy h ALA 41 Ca 0.41 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.43 2cqy h ALA 41 Cb 0.68 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2cqy h ALA 41 CO -0.48 -0.88 0.64 0.00 0.00 0.00 0.00 179.25 178.53 2cqy h ARG 42 N -0.63 0.00 0.00 0.00 3.08 -0.67 0.71 114.38 116.86 2cqy h ARG 42 Ca -0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 2cqy h ARG 42 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2cqy h ARG 42 CO -0.00 0.00 -1.03 0.93 -1.07 0.00 0.00 179.97 178.79 2cqy h GLU 43 N 0.00 0.00 0.06 0.04 5.08 -0.71 -3.29 114.58 115.75 2cqy h GLU 43 Ca 0.35 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.47 2cqy h GLU 43 Cb 1.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2cqy h GLU 43 CO -0.00 0.97 -1.10 0.82 -1.00 0.00 0.00 179.01 178.69 2cqy h ILE 44 N 0.00 1.61 -0.44 3.13 2.04 0.12 -3.26 117.51 120.70 2cqy h ILE 44 Ca -0.03 -3.22 0.00 0.00 1.00 0.00 0.00 64.86 62.62 2cqy h ILE 44 Cb 1.78 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.73 2cqy h ILE 44 CO 0.13 0.93 0.00 0.61 0.00 0.00 0.00 178.15 179.81 2cqy n GLY 45 N 1.40 -0.17 3.62 5.37 0.00 0.17 -4.73 105.19 110.84 2cqy n GLY 45 Ca -0.04 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 1.19 0.70 -1.27 1.61 4.01 -1.26 -4.51 117.16 117.63 2cqy n TYR 46 Ca 0.00 0.40 -0.31 0.00 -0.16 0.00 0.00 57.90 57.83 2cqy n TYR 46 Cb 0.00 -2.09 0.09 0.00 -0.31 0.00 0.00 39.34 37.03 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 -3.31 2.27 -0.10 -0.72 0.04 -1.26 -5.00 135.00 126.92 2cqy s PRO 47 Ca 0.74 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2cqy s PRO 47 Cb -0.35 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2cqy s PRO 47 CO 0.50 -1.64 -0.08 0.14 0.04 0.00 0.00 177.00 175.96 2cqy s VAL 48 N -2.88 0.98 -0.07 -0.36 -7.23 0.17 -2.42 120.40 108.58 2cqy s VAL 48 Ca 0.61 -0.29 -0.25 0.00 -1.81 0.00 0.00 61.98 60.24 2cqy s VAL 48 Cb -0.17 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2cqy s VAL 48 CO 0.56 0.35 0.76 -0.32 -0.31 0.00 0.00 175.10 176.14 2cqy s MET 49 N 1.45 4.43 -0.05 4.82 1.75 0.35 -1.50 119.30 130.55 2cqy s MET 49 Ca -0.00 0.98 0.04 0.00 -1.25 0.00 0.00 55.69 55.46 2cqy s MET 49 Cb -0.13 -3.47 -0.02 0.00 2.84 0.00 0.00 34.83 34.04 2cqy s MET 49 CO -0.05 -0.02 -0.16 0.42 -0.65 0.00 0.00 175.02 174.56 2cqy s ILE 50 N 1.06 2.92 0.24 10.11 1.01 -0.71 -0.45 121.20 135.38 2cqy s ILE 50 Ca 0.40 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2cqy s ILE 50 Cb -0.18 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2cqy s ILE 50 CO 0.19 0.59 0.23 -0.54 0.00 0.00 0.00 174.94 175.41 2cqy s LYS 51 N -0.65 1.38 -0.50 2.79 1.02 -0.78 -2.70 119.74 120.29 2cqy s LYS 51 Ca 0.10 -1.62 -0.23 0.00 0.02 0.00 0.00 55.97 54.24 2cqy s LYS 51 Cb -0.11 0.32 0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2cqy s LYS 51 CO 0.01 -0.50 0.81 0.00 -0.92 0.00 0.00 175.35 174.75 2cqy s ALA 52 N -3.96 3.26 0.54 5.17 0.00 -1.26 0.22 121.76 125.72 2cqy s ALA 52 Ca 0.36 -1.24 0.41 0.00 0.00 0.00 0.00 51.96 51.49 2cqy s ALA 52 Cb 0.05 -3.54 1.60 0.00 0.00 0.00 0.00 23.12 21.23 2cqy s ALA 52 CO 0.14 -2.11 1.70 1.03 0.00 0.00 0.00 175.76 176.51 2cqy h SER 53 N 9.11 0.04 -0.30 0.00 0.87 -0.68 0.77 113.55 123.36 2cqy h SER 53 Ca -0.26 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 2cqy h SER 53 Cb 1.08 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2cqy h SER 53 CO 1.01 -0.01 -0.18 0.00 -0.53 0.00 0.00 176.83 177.12 2cqy h ALA 54 N 1.27 0.42 -1.34 6.23 0.00 -1.90 -3.42 119.26 120.53 2cqy h ALA 54 Ca 0.74 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 2cqy h ALA 54 Cb 2.88 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 20.36 2cqy h ALA 54 CO -0.05 0.34 -0.59 0.20 0.00 0.00 0.00 179.25 179.15 2cqy s GLY 55 N -3.52 -0.70 0.00 0.00 0.00 0.25 -5.04 107.32 98.31 2cqy s GLY 55 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2cqy s GLY 55 CO 0.81 3.29 0.00 0.61 0.00 0.00 0.00 173.10 177.81 2cqy n GLY 56 N 3.27 1.53 1.14 0.20 0.00 -0.42 -4.46 105.19 106.45 2cqy n GLY 56 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 2.49 0.00 -0.02 0.00 -1.26 -4.20 105.19 107.20 2cqy n GLY 57 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.51 2.95 -0.02 0.00 -1.26 -5.12 105.19 102.25 2cqy n GLY 58 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.51 0.00 1.61 1.02 -1.26 -4.72 119.74 117.90 2cqy s LYS 59 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2cqy s LYS 59 Cb 0.00 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2cqy s LYS 59 CO 0.00 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 2cqy n GLY 60 N 4.53 2.20 1.27 -3.33 0.00 -1.26 -5.04 105.19 103.55 2cqy n GLY 60 Ca -0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.89 -4.03 1.61 0.00 -1.26 -4.99 117.12 105.56 2cqy n MET 61 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 57.70 57.07 2cqy n MET 61 Cb 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 33.22 32.38 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 -3.67 0.65 0.18 3.17 3.52 -1.10 -5.06 118.95 116.65 2cqy s ARG 62 Ca 0.26 -1.12 0.09 0.00 -0.13 0.00 0.00 55.73 54.82 2cqy s ARG 62 Cb -0.05 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 2cqy s ARG 62 CO 0.21 -0.14 -0.19 0.42 -0.81 0.00 0.00 175.30 174.79 2cqy s ILE 63 N -3.76 1.90 0.11 4.11 1.01 -1.26 -1.73 121.20 121.57 2cqy s ILE 63 Ca 0.05 -1.98 0.05 0.00 0.00 0.00 0.00 60.65 58.77 2cqy s ILE 63 Cb 0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2cqy s ILE 63 CO -0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 174.94 174.38 2cqy s ALA 64 N -2.12 1.37 0.00 9.38 0.00 -0.56 -4.91 121.76 124.91 2cqy s ALA 64 Ca 0.18 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2cqy s ALA 64 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2cqy s ALA 64 CO 0.07 0.10 0.10 0.91 0.00 0.00 0.00 175.76 176.94 2cqy n TRP 65 N 0.71 0.00 -4.10 0.00 7.02 -1.26 -0.66 117.44 119.15 2cqy n TRP 65 Ca -0.17 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.18 2cqy n TRP 65 Cb 0.56 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.40 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 -0.75 0.64 0.11 -0.99 1.01 -1.26 -4.71 116.67 110.72 2cqy s ASP 66 Ca 0.00 -1.37 -0.21 0.00 0.71 0.00 0.00 52.55 51.68 2cqy s ASP 66 Cb 0.00 0.60 -0.09 0.00 1.01 0.00 0.00 42.92 44.44 2cqy s ASP 66 CO 0.00 -1.18 1.75 -2.24 0.21 0.00 0.00 175.17 173.71 2cqy h ASP 67 N 2.21 0.10 -0.66 0.27 2.03 -1.98 -0.52 116.42 117.87 2cqy h ASP 67 Ca -0.29 0.01 0.04 0.00 -0.73 0.00 0.00 57.03 56.06 2cqy h ASP 67 Cb 1.24 -0.01 -0.05 0.00 -0.83 0.00 0.00 39.33 39.68 2cqy h ASP 67 CO 0.40 0.08 0.39 1.05 -1.03 0.00 0.00 179.24 180.13 2cqy h GLU 68 N 0.14 0.73 -0.55 4.15 4.11 -2.00 -2.36 114.58 118.79 2cqy h GLU 68 Ca 0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 2cqy h GLU 68 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2cqy h GLU 68 CO -0.04 0.48 0.24 0.93 0.07 0.00 0.00 179.01 180.69 2cqy h GLU 69 N 0.75 0.82 -0.40 1.06 5.08 -1.89 -2.57 114.58 117.43 2cqy h GLU 69 Ca 0.27 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2cqy h GLU 69 Cb 0.08 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.10 2cqy h GLU 69 CO -0.13 0.69 -0.24 1.15 -1.00 0.00 0.00 179.01 179.49 2cqy h THR 70 N 0.75 0.36 0.84 1.13 2.02 -0.57 0.20 112.91 117.64 2cqy h THR 70 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 2cqy h THR 70 Cb 0.17 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2cqy h THR 70 CO -0.02 0.00 -0.40 0.03 0.37 0.00 0.00 175.52 175.50 2cqy h ARG 71 N -0.17 -1.08 -1.09 6.66 3.08 -1.39 0.51 114.38 120.90 2cqy h ARG 71 Ca 0.19 0.07 0.31 0.00 0.07 0.00 0.00 59.98 60.63 2cqy h ARG 71 Cb 0.47 0.25 -0.12 0.00 0.08 0.00 0.00 29.97 30.65 2cqy h ARG 71 CO -0.50 -0.72 0.69 -0.44 -1.07 0.00 0.00 179.97 177.92 2cqy h ASP 72 N -1.13 0.44 1.24 7.04 5.19 -1.20 0.67 116.42 128.66 2cqy h ASP 72 Ca -0.11 0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.28 2cqy h ASP 72 Cb 0.86 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 2cqy h ASP 72 CO 0.19 -0.02 -0.79 1.23 -3.12 0.00 0.00 179.24 176.73 2cqy h GLY 73 N 0.33 0.00 1.56 2.75 0.00 -0.30 -3.17 103.07 104.24 2cqy h GLY 73 Ca 0.68 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.81 2cqy h GLY 73 CO -0.40 0.00 -0.83 -2.75 0.00 0.00 0.00 176.54 172.55 2cqy h PHE 74 N 0.00 0.58 -0.33 5.60 3.04 0.54 -1.15 116.94 125.23 2cqy h PHE 74 Ca -0.04 -0.29 -0.12 0.00 3.98 0.00 0.00 57.97 61.50 2cqy h PHE 74 Cb 1.50 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 2cqy h PHE 74 CO 0.00 1.08 -0.26 0.00 -2.02 0.00 0.00 178.31 177.11 2cqy h ARG 75 N 0.26 0.75 0.16 1.11 3.08 -0.93 -1.59 114.38 117.21 2cqy h ARG 75 Ca -0.05 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 2cqy h ARG 75 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 2cqy h ARG 75 CO 0.14 0.99 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.89 2cqy h LEU 76 N 0.52 -0.18 -1.67 3.04 3.38 -1.59 -2.30 115.31 116.50 2cqy h LEU 76 Ca 0.06 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 57.80 2cqy h LEU 76 Cb 0.82 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2cqy h LEU 76 CO 0.07 0.36 0.44 0.28 0.09 0.00 0.00 178.44 179.67 2cqy h SER 77 N -0.84 0.32 0.11 -0.43 0.02 -1.30 -1.32 113.55 110.11 2cqy h SER 77 Ca -0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2cqy h SER 77 Cb 0.53 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2cqy h SER 77 CO 0.04 0.18 -0.05 0.77 -1.14 0.00 0.00 176.83 176.62 2cqy h SER 78 N 0.35 -0.12 -0.72 3.07 4.64 -1.30 -2.85 113.55 116.61 2cqy h SER 78 Ca 0.31 -0.40 0.11 0.00 -0.47 0.00 0.00 61.79 61.34 2cqy h SER 78 Cb 0.74 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 2cqy h SER 78 CO -0.08 0.37 0.48 1.56 -0.87 0.00 0.00 176.83 178.28 2cqy h GLN 79 N -0.66 0.55 -0.64 4.77 4.20 -0.80 -0.30 115.11 122.24 2cqy h GLN 79 Ca -0.01 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2cqy h GLN 79 Cb 0.51 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2cqy h GLN 79 CO 0.02 0.36 0.14 0.93 -0.67 0.00 0.00 178.83 179.62 2cqy h GLU 80 N 0.56 1.03 0.00 1.46 4.39 -1.24 -1.95 114.58 118.83 2cqy h GLU 80 Ca 0.34 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 2cqy h GLU 80 Cb 0.55 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2cqy h GLU 80 CO -0.12 0.93 -0.63 0.00 -1.16 0.00 0.00 179.01 178.04 2cqy h ALA 81 N 1.05 0.91 -0.16 3.43 0.00 -0.95 0.60 119.26 124.13 2cqy h ALA 81 Ca 0.20 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2cqy h ALA 81 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2cqy h ALA 81 CO 0.00 0.78 -0.48 0.00 0.00 0.00 0.00 179.25 179.56 2cqy h ALA 82 N 1.37 0.86 0.00 0.00 0.00 0.18 -1.46 119.26 120.22 2cqy h ALA 82 Ca -0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 2cqy h ALA 82 Cb 1.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2cqy h ALA 82 CO 0.08 0.66 -2.01 0.45 0.00 0.00 0.00 179.25 178.43 2cqy n SER 83 N -3.98 0.34 0.05 0.00 2.88 -0.76 -3.05 113.62 109.09 2cqy n SER 83 Ca -0.02 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.66 2cqy n SER 83 Cb 0.55 0.77 -0.01 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.10 0.01 -3.46 0.02 0.18 -3.41 113.55 106.80 2cqy h SER 84 Ca -0.35 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.21 2cqy h SER 84 Cb 1.90 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.40 2cqy h SER 84 CO 0.04 -0.05 -2.43 0.49 -1.14 0.00 0.00 176.83 173.74 2cqy n PHE 85 N -2.43 0.14 0.00 3.45 3.01 -1.02 -5.03 117.46 115.57 2cqy n PHE 85 Ca -0.01 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2cqy n PHE 85 Cb 0.05 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.50 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 2.17 2.89 3.92 1.37 0.00 -0.58 -5.04 105.19 109.92 2cqy n GLY 86 Ca -0.45 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 6.40 -0.49 1.61 -1.08 -1.14 -4.52 116.67 117.44 2cqy s ASP 87 Ca 0.00 0.49 0.03 0.00 -0.52 0.00 0.00 52.55 52.55 2cqy s ASP 87 Cb 0.00 -2.05 0.62 0.00 -1.46 0.00 0.00 42.92 40.03 2cqy s ASP 87 CO 0.00 -0.10 1.94 -0.90 0.52 0.00 0.00 175.17 176.62 2cqy n ASP 88 N -0.82 4.56 -4.72 -0.34 5.75 -1.26 -1.35 116.55 118.37 2cqy n ASP 88 Ca -0.04 -3.65 -0.42 0.00 -0.01 0.00 0.00 54.79 50.67 2cqy n ASP 88 Cb 0.54 -0.86 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 2cqy n ASP 88 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2cqy s ARG 89 N -3.41 4.38 0.53 0.11 1.81 -1.26 -4.82 118.95 116.28 2cqy s ARG 89 Ca 0.58 1.95 0.01 0.00 -1.72 0.00 0.00 55.73 56.55 2cqy s ARG 89 Cb 0.48 -3.28 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 2cqy s ARG 89 CO 0.08 -0.34 0.06 -0.51 -0.68 0.00 0.00 175.30 173.91 2cqy s LEU 90 N 0.92 2.29 0.11 2.53 1.43 -1.26 -0.20 118.68 124.50 2cqy s LEU 90 Ca 0.61 -1.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.00 2cqy s LEU 90 Cb -0.34 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 2cqy s LEU 90 CO 0.31 -0.93 0.20 -0.76 0.23 0.00 0.00 176.35 175.40 2cqy s LEU 91 N -3.95 1.37 -0.08 1.79 1.43 0.60 -3.57 118.68 116.28 2cqy s LEU 91 Ca 0.07 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2cqy s LEU 91 Cb 0.00 1.00 0.05 0.00 0.03 0.00 0.00 46.19 47.27 2cqy s LEU 91 CO 0.04 -0.77 0.17 -0.63 0.23 0.00 0.00 176.35 175.39 2cqy s ILE 92 N -3.90 -0.20 0.09 -0.59 1.01 -1.26 -1.87 121.20 114.48 2cqy s ILE 92 Ca 0.09 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2cqy s ILE 92 Cb 0.05 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 2cqy s ILE 92 CO -0.07 0.12 -0.10 -1.61 0.00 0.00 0.00 174.94 173.28 2cqy s GLU 93 N 1.90 0.82 0.08 2.79 0.41 0.40 -3.64 118.70 121.47 2cqy s GLU 93 Ca -0.02 -1.12 -0.31 0.00 -0.41 0.00 0.00 54.97 53.11 2cqy s GLU 93 Cb -0.12 -0.51 -0.07 0.00 -1.78 0.00 0.00 34.13 31.65 2cqy s GLU 93 CO -0.06 0.08 1.44 0.21 -0.49 0.00 0.00 175.26 176.44 2cqy s LYS 94 N -2.70 4.29 -0.37 1.61 2.47 -1.25 -0.50 119.74 123.29 2cqy s LYS 94 Ca 0.04 2.10 -0.12 0.00 -1.56 0.00 0.00 55.97 56.43 2cqy s LYS 94 Cb -0.03 -3.38 0.01 0.00 -1.46 0.00 0.00 37.83 32.97 2cqy s LYS 94 CO -0.00 -0.53 0.23 0.12 0.16 0.00 0.00 175.35 175.33 2cqy s PHE 95 N 1.67 3.23 -0.16 4.03 2.19 -1.02 -4.77 117.98 123.15 2cqy s PHE 95 Ca 0.66 -0.67 0.00 0.00 0.33 0.00 0.00 56.93 57.26 2cqy s PHE 95 Cb -0.36 -2.48 0.03 0.00 -1.31 0.00 0.00 43.02 38.90 2cqy s PHE 95 CO 0.30 -0.55 -0.12 0.42 1.83 0.00 0.00 175.22 177.10 2cqy s ILE 96 N 1.63 1.50 -0.25 3.12 1.01 -1.26 -4.21 121.20 122.74 2cqy s ILE 96 Ca 0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 2cqy s ILE 96 Cb -0.18 -1.49 -0.16 0.00 0.01 0.00 0.00 42.46 40.64 2cqy s ILE 96 CO 0.08 0.34 -0.13 -0.67 0.00 0.00 0.00 174.94 174.56 2cqy n ASP 97 N 4.77 1.94 -4.92 3.58 -0.08 -1.26 -4.98 116.55 115.60 2cqy n ASP 97 Ca -0.15 0.31 -0.25 0.00 -1.51 0.00 0.00 54.79 53.19 2cqy n ASP 97 Cb 0.49 -0.83 -0.03 0.00 2.34 0.00 0.00 41.12 43.09 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 -7.18 6.16 1.01 1.67 0.01 -1.26 -5.11 114.94 110.24 2cqy s ASN 98 Ca -0.34 0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 51.76 2cqy s ASN 98 Cb 0.11 -1.80 0.20 0.00 0.41 0.00 0.00 41.25 40.17 2cqy s ASN 98 CO 0.55 0.03 1.09 -2.16 -1.51 0.00 0.00 177.10 175.10 2cqy s PRO 99 N -3.39 0.32 -0.20 -0.60 0.04 -1.26 -5.04 135.00 124.88 2cqy s PRO 99 Ca 0.34 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 2cqy s PRO 99 Cb -0.10 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 2cqy s PRO 99 CO 0.28 -2.80 -0.28 0.54 0.04 0.00 0.00 177.00 174.78 2cqy n ARG 100 N -4.22 0.54 -4.45 4.56 3.00 -1.26 -4.97 116.66 109.86 2cqy n ARG 100 Ca 0.05 0.31 -0.39 0.00 -0.01 0.00 0.00 57.85 57.81 2cqy n ARG 100 Cb 0.57 -1.52 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 2cqy n ARG 100 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2cqy n HIS 101 N -4.43 -1.23 -4.03 -1.55 1.44 -1.26 -4.90 115.22 99.25 2cqy n HIS 101 Ca -0.25 0.67 -0.08 0.00 -2.01 0.00 0.00 57.72 56.05 2cqy n HIS 101 Cb 0.59 -2.24 -0.11 0.00 0.12 0.00 0.00 29.99 28.35 2cqy n HIS 101 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 2cqy s ILE 102 N -3.60 0.20 0.13 0.61 2.07 -1.26 -4.85 121.20 114.49 2cqy s ILE 102 Ca 0.57 -1.32 -0.16 0.00 -1.41 0.00 0.00 60.65 58.33 2cqy s ILE 102 Cb -0.33 -0.83 0.06 0.00 0.13 0.00 0.00 42.46 41.48 2cqy s ILE 102 CO 1.01 -0.71 0.78 -1.20 -1.91 0.00 0.00 174.94 172.92 2cqy n SER 103 N 0.93 -1.27 0.19 4.50 7.64 -1.17 -5.02 113.62 119.43 2cqy n SER 103 Ca -0.19 -1.64 -0.08 0.00 1.01 0.00 0.00 58.87 57.96 2cqy n SER 103 Cb 0.58 2.05 -0.04 0.00 -1.01 0.00 0.00 64.21 65.79 2cqy n SER 103 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2cqy h GLY 104 N 1.47 -0.53 0.90 0.23 0.00 -2.02 -3.36 103.07 99.76 2cqy h GLY 104 Ca -0.20 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2cqy h GLY 104 CO 0.27 -0.19 -0.24 -0.56 0.00 0.00 0.00 176.54 175.82 2cqy h PRO 105 N -0.74 0.59 -6.19 4.80 0.13 -2.06 -3.40 132.00 125.13 2cqy h PRO 105 Ca -0.05 -0.31 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 2cqy h PRO 105 Cb 0.39 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.46 2cqy h PRO 105 CO 0.09 0.91 1.19 0.45 -0.23 0.00 0.00 178.00 180.41 2cqy s SER 106 N -6.41 6.04 1.13 1.44 0.15 -1.26 -4.99 113.70 109.80 2cqy s SER 106 Ca -0.13 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 55.78 2cqy s SER 106 Cb 0.08 -2.56 0.24 0.00 -1.71 0.00 0.00 66.02 62.07 2cqy s SER 106 CO 0.81 -1.90 0.88 -1.20 1.20 0.00 0.00 173.24 173.02 2cqy n SER 107 N 10.08 -1.58 0.00 5.45 7.64 -1.26 -3.04 113.62 130.91 2cqy n SER 107 Ca 0.16 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2cqy n SER 107 Cb 0.50 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2cqy n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64