#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqw n SER 2 N 0.00 -1.27 -3.68 1.61 2.88 -1.26 -5.17 113.62 106.74 2cqw n SER 2 Ca 0.00 0.55 -0.01 0.00 -1.33 0.00 0.00 58.87 58.08 2cqw n SER 2 Cb 0.00 1.34 -0.01 0.00 -0.75 0.00 0.00 64.21 64.80 2cqw n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqw s SER 3 N -4.10 -0.12 0.58 -3.46 1.04 -1.26 -5.18 113.70 101.20 2cqw s SER 3 Ca 0.00 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2cqw s SER 3 Cb 0.00 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2cqw s SER 3 CO 0.00 -0.58 0.84 -0.83 0.98 0.00 0.00 173.24 173.65 2cqw s GLY 4 N -2.94 1.70 -0.13 7.32 0.00 -1.26 -5.11 107.32 106.90 2cqw s GLY 4 Ca 0.13 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 2cqw s GLY 4 CO -0.01 -0.76 0.32 -1.35 0.00 0.00 0.00 173.10 171.30 2cqw s SER 5 N -4.39 -0.36 0.76 1.64 1.04 -1.26 -5.16 113.70 105.97 2cqw s SER 5 Ca 0.56 0.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 2cqw s SER 5 Cb -0.10 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2cqw s SER 5 CO 0.41 -0.15 1.08 -0.44 0.98 0.00 0.00 173.24 175.12 2cqw s SER 6 N 0.79 4.81 0.00 7.02 0.01 -1.26 -5.06 113.70 120.01 2cqw s SER 6 Ca -0.05 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2cqw s SER 6 Cb -0.06 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2cqw s SER 6 CO -0.05 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 172.41 2cqw n GLY 7 N -1.88 -1.62 2.61 3.44 0.00 -1.26 -5.02 105.19 101.46 2cqw n GLY 7 Ca 0.07 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2cqw n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cqw s ILE 8 N 0.00 1.00 -0.05 -0.61 1.09 -1.26 -5.10 121.20 116.27 2cqw s ILE 8 Ca 0.00 -2.45 -0.30 0.00 -1.10 0.00 0.00 60.65 56.80 2cqw s ILE 8 Cb 0.00 -1.70 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 2cqw s ILE 8 CO 0.00 -0.98 1.22 -2.16 -0.10 0.00 0.00 174.94 172.92 2cqw s PRO 9 N 0.39 4.34 0.48 2.79 0.04 -1.26 -5.03 135.00 136.76 2cqw s PRO 9 Ca 0.20 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 2cqw s PRO 9 Cb -0.19 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2cqw s PRO 9 CO -0.03 -0.47 0.82 0.20 0.04 0.00 0.00 177.00 177.56 2cqw s GLY 10 N 1.53 1.63 0.91 0.56 0.00 -1.26 -5.08 107.32 105.61 2cqw s GLY 10 Ca 0.57 -0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.79 2cqw s GLY 10 CO 0.22 -0.18 1.14 2.56 0.00 0.00 0.00 173.10 176.84 2cqw s PRO 11 N -4.59 1.15 -0.06 2.90 0.04 -1.26 -5.03 135.00 128.15 2cqw s PRO 11 Ca 0.49 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 2cqw s PRO 11 Cb -0.10 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2cqw s PRO 11 CO 0.43 -2.19 0.17 0.78 0.04 0.00 0.00 177.00 176.22 2cqw h GLY 12 N -1.49 -0.12 -7.27 0.56 0.00 -2.07 -3.42 103.07 89.25 2cqw h GLY 12 Ca -0.50 0.05 -0.54 0.00 0.00 0.00 0.00 47.33 46.33 2cqw h GLY 12 CO 0.62 -0.05 1.03 -0.12 0.00 0.00 0.00 176.54 178.03 2cqw s PHE 13 N -1.85 2.36 -0.37 5.60 2.19 -1.26 -4.94 117.98 119.71 2cqw s PHE 13 Ca -0.02 0.05 0.01 0.00 0.33 0.00 0.00 56.93 57.30 2cqw s PHE 13 Cb 0.00 -4.60 0.12 0.00 -1.31 0.00 0.00 43.02 37.23 2cqw s PHE 13 CO 0.05 -1.97 0.16 0.95 1.83 0.00 0.00 175.22 176.24 2cqw s THR 14 N 5.54 1.16 0.06 0.12 -4.23 -1.26 -5.10 115.64 111.92 2cqw s THR 14 Ca 0.37 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2cqw s THR 14 Cb -0.08 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 2cqw s THR 14 CO 0.17 -0.78 0.02 0.00 -0.54 0.00 0.00 174.62 173.50 2cqw s ALA 15 N 1.02 0.31 0.00 3.99 0.00 -1.26 -5.16 121.76 120.66 2cqw s ALA 15 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2cqw s ALA 15 Cb -0.21 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2cqw s ALA 15 CO -0.12 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2cqw n GLY 16 N 0.16 3.00 2.53 0.00 0.00 -1.26 -5.08 105.19 104.54 2cqw n GLY 16 Ca -0.15 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 2cqw n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw s ALA 17 N -2.00 1.78 0.35 4.61 0.00 -1.26 -5.11 121.76 120.13 2cqw s ALA 17 Ca 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 51.96 49.42 2cqw s ALA 17 Cb 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.42 2cqw s ALA 17 CO 0.00 -2.03 0.21 0.00 0.00 0.00 0.00 175.76 173.93 2cqw n GLN 18 N 3.05 1.01 0.00 0.00 10.64 -1.26 -5.01 117.38 125.81 2cqw n GLN 18 Ca 0.22 -2.30 0.00 0.00 -1.83 0.00 0.00 57.00 53.09 2cqw n GLN 18 Cb 0.42 0.34 0.00 0.00 -0.86 0.00 0.00 30.24 30.14 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2cqw n GLY 19 N 0.74 0.48 3.28 2.61 0.00 -1.26 -4.99 105.19 106.06 2cqw n GLY 19 Ca -0.04 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 2cqw n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqw s SER 20 N -0.13 2.46 -0.42 1.61 1.04 -1.26 -4.74 113.70 112.27 2cqw s SER 20 Ca 0.00 -0.71 0.09 0.00 0.48 0.00 0.00 55.95 55.81 2cqw s SER 20 Cb 0.00 -0.13 0.42 0.00 0.10 0.00 0.00 66.02 66.41 2cqw s SER 20 CO 0.00 0.02 1.04 0.00 0.98 0.00 0.00 173.24 175.28 2cqw h SER 22 N 2.74 0.16 -0.33 0.00 4.64 -1.94 -3.37 113.55 115.47 2cqw h SER 22 Ca 0.17 -0.80 -0.13 0.00 -0.47 0.00 0.00 61.79 60.56 2cqw h SER 22 Cb 0.96 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.92 2cqw h SER 22 CO 0.74 1.38 -0.04 0.00 -0.87 0.00 0.00 176.83 178.04 2cqw n LEU 23 N -4.29 4.04 0.00 5.97 -0.00 -1.26 -4.82 117.00 116.64 2cqw n LEU 23 Ca -0.22 -3.54 0.00 0.00 -0.00 0.00 0.00 56.01 52.26 2cqw n LEU 23 Cb 0.71 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2cqw n LEU 23 CO 0.33 1.07 0.00 0.54 -0.00 0.00 0.00 177.39 179.33 2cqw n ARG 24 N -0.97 0.00 -3.62 1.47 1.74 -1.26 -4.99 116.66 109.02 2cqw n ARG 24 Ca 0.30 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.13 2cqw n ARG 24 Cb 0.99 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.51 2cqw n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cqw n GLY 26 N -1.98 -0.93 3.57 0.00 0.00 0.38 -4.89 105.19 101.34 2cqw n GLY 26 Ca 0.01 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 2cqw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw s ALA 27 N 0.00 -0.69 -0.09 4.61 0.00 -0.99 -4.88 121.76 119.71 2cqw s ALA 27 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2cqw s ALA 27 Cb 0.00 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.05 2cqw s ALA 27 CO 0.00 -0.84 -0.15 -0.65 0.00 0.00 0.00 175.76 174.13 2cqw s GLN 28 N -3.93 2.07 0.37 0.00 -0.21 -1.26 0.15 119.66 116.85 2cqw s GLN 28 Ca 0.14 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 55.04 2cqw s GLN 28 Cb -0.01 -1.74 -0.05 0.00 1.00 0.00 0.00 33.01 32.22 2cqw s GLN 28 CO 0.02 -0.02 0.08 0.34 -2.12 0.00 0.00 175.29 173.59 2cqw s ASP 29 N 0.85 2.63 -0.12 5.90 -1.08 -0.01 -4.94 116.67 119.90 2cqw s ASP 29 Ca -0.10 -1.50 -0.14 0.00 -0.52 0.00 0.00 52.55 50.29 2cqw s ASP 29 Cb -0.15 0.16 -0.13 0.00 -1.46 0.00 0.00 42.92 41.34 2cqw s ASP 29 CO 0.01 -0.73 0.38 1.23 0.52 0.00 0.00 175.17 176.58 2cqw h GLY 30 N 1.95 -0.00 1.01 2.66 0.00 -2.00 -3.35 103.07 103.34 2cqw h GLY 30 Ca -0.39 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2cqw h GLY 30 CO 0.66 -0.00 0.49 1.41 0.00 0.00 0.00 176.54 179.10 2cqw h LEU 31 N -1.00 0.96 0.00 3.11 3.38 -1.96 -3.46 115.31 116.34 2cqw h LEU 31 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2cqw h LEU 31 Cb 0.49 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2cqw h LEU 31 CO 0.00 0.74 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 2cqw s SER 33 N -1.14 -0.51 -0.35 0.00 0.15 0.51 -0.83 113.70 111.53 2cqw s SER 33 Ca 0.02 0.97 0.08 0.00 0.70 0.00 0.00 55.95 57.72 2cqw s SER 33 Cb -0.00 0.97 0.66 0.00 -1.71 0.00 0.00 66.02 65.94 2cqw s SER 33 CO 0.01 -0.17 1.76 0.00 1.20 0.00 0.00 173.24 176.04 2cqw s HIS 35 N -3.14 3.16 -1.99 0.00 2.46 0.03 0.14 115.29 115.95 2cqw s HIS 35 Ca 0.53 0.04 0.24 0.00 0.47 0.00 0.00 55.06 56.34 2cqw s HIS 35 Cb 0.44 -1.58 1.42 0.00 -0.13 0.00 0.00 32.58 32.74 2cqw s HIS 35 CO 0.10 0.52 1.79 -0.35 -2.47 0.00 0.00 174.74 174.33 2cqw n PRO 36 N 0.17 0.74 0.00 2.88 -0.04 -1.26 -2.09 135.00 135.40 2cqw n PRO 36 Ca -0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2cqw n PRO 36 Cb 0.53 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 2cqw n PRO 36 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2cqw n THR 37 N -1.00 0.00 0.30 0.52 -2.24 -1.26 -3.97 114.28 106.63 2cqw n THR 37 Ca 0.18 -0.33 0.18 0.00 -2.27 0.00 0.00 64.05 61.81 2cqw n THR 37 Cb 0.08 1.10 0.78 0.00 -2.10 0.00 0.00 70.33 70.20 2cqw n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h SER 39 N 0.00 0.84 0.61 0.00 0.02 -1.80 1.45 113.55 114.67 2cqw h SER 39 Ca 0.00 -0.37 -0.19 0.00 -0.84 0.00 0.00 61.79 60.40 2cqw h SER 39 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2cqw h SER 39 CO 0.00 1.01 -0.84 1.23 -1.14 0.00 0.00 176.83 177.09 2cqw h GLY 40 N 0.66 0.18 0.00 -3.77 0.00 -1.67 -3.36 103.07 95.10 2cqw h GLY 40 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2cqw h GLY 40 CO 0.04 0.27 -0.05 1.41 0.00 0.00 0.00 176.54 178.22 2cqw h LEU 41 N 0.09 0.00 0.00 3.11 3.38 -1.28 -3.50 115.31 117.12 2cqw h LEU 41 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cqw h LEU 41 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2cqw h LEU 41 CO 0.12 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2cqw n GLY 42 N 1.86 1.16 0.71 0.83 0.00 0.50 -5.04 105.19 105.20 2cqw n GLY 42 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2cqw n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqw n THR 43 N -0.02 1.55 -1.98 2.61 -2.24 -1.11 -5.06 114.28 108.02 2cqw n THR 43 Ca 0.00 -2.42 -0.37 0.00 -2.27 0.00 0.00 64.05 58.99 2cqw n THR 43 Cb 0.00 0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.33 2cqw n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h GLU 46 N 1.75 0.00 -0.28 0.00 4.81 -1.94 -1.53 114.58 117.40 2cqw h GLU 46 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 2cqw h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2cqw h GLU 46 CO 0.61 0.20 0.00 -0.40 -0.73 0.00 0.00 179.01 178.69 2cqw n ASP 47 N -3.98 3.80 -0.03 1.04 5.68 -1.26 -4.62 116.55 117.18 2cqw n ASP 47 Ca -0.02 -3.08 -0.12 0.00 -0.50 0.00 0.00 54.79 51.06 2cqw n ASP 47 Cb 0.28 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.63 2cqw n ASP 47 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2cqw h PHE 48 N 1.75 0.17 -0.00 2.11 3.57 -1.61 -2.26 116.94 120.67 2cqw h PHE 48 Ca 0.02 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2cqw h PHE 48 Cb 1.48 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 2cqw h PHE 48 CO 0.55 0.41 -0.69 -0.07 -2.23 0.00 0.00 178.31 176.28 2cqw h LEU 49 N -0.12 0.00 -0.94 0.59 -0.00 -1.76 1.67 115.31 114.75 2cqw h LEU 49 Ca 0.03 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.96 2cqw h LEU 49 Cb 0.34 -0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.94 2cqw h LEU 49 CO 0.00 0.69 0.60 -0.78 -0.00 0.00 0.00 178.44 178.96 2cqw h ASP 50 N 0.00 0.98 0.00 -0.43 3.58 -1.80 0.28 116.42 119.03 2cqw h ASP 50 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2cqw h ASP 50 Cb 1.22 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2cqw h ASP 50 CO 0.09 0.64 -1.95 -1.22 -2.88 0.00 0.00 179.24 173.92 2cqw n TYR 51 N -4.53 0.00 -3.23 0.28 4.01 -0.86 -4.58 117.16 108.24 2cqw n TYR 51 Ca 0.13 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 2cqw n TYR 51 Cb 0.15 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 38.61 2cqw n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cqw n LEU 53 N 0.69 2.97 -2.69 0.00 0.00 0.96 -4.03 117.00 114.91 2cqw n LEU 53 Ca 0.27 -1.39 -0.06 0.00 0.00 0.00 0.00 56.01 54.83 2cqw n LEU 53 Cb 0.47 -0.30 0.11 0.00 0.00 0.00 0.00 43.42 43.71 2cqw n LEU 53 CO 0.31 0.70 0.47 -0.62 0.00 0.00 0.00 177.39 178.25 2cqw n GLU 54 N 1.14 1.23 -0.03 1.96 1.02 -1.26 -4.93 120.64 119.77 2cqw n GLU 54 Ca 0.19 -1.87 -0.04 0.00 -0.02 0.00 0.00 57.16 55.43 2cqw n GLU 54 Cb 0.50 -0.09 -0.05 0.00 -0.02 0.00 0.00 31.44 31.78 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2cqw n ILE 55 N -0.70 0.44 -1.20 -3.67 -5.35 -1.26 -5.03 119.36 102.58 2cqw n ILE 55 Ca -0.04 -0.24 -0.35 0.00 -0.27 0.00 0.00 62.75 61.85 2cqw n ILE 55 Cb 0.85 -0.82 0.09 0.00 -1.74 0.00 0.00 39.64 38.02 2cqw n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2cqw n LEU 56 N -2.37 2.30 -4.60 7.28 4.77 -1.26 -4.86 117.00 118.26 2cqw n LEU 56 Ca -0.11 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.02 2cqw n LEU 56 Cb 0.69 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 2cqw n LEU 56 CO 0.12 -2.54 1.23 -2.16 -1.33 0.00 0.00 177.39 172.71 2cqw s PRO 57 N -3.33 3.59 -0.28 3.23 0.04 -1.26 -4.97 135.00 132.02 2cqw s PRO 57 Ca 0.69 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2cqw s PRO 57 Cb -0.32 -4.02 0.07 0.00 0.04 0.00 0.00 34.50 30.28 2cqw s PRO 57 CO 0.55 -1.54 -0.03 0.45 0.04 0.00 0.00 177.00 176.47 2cqw s SER 58 N 3.88 4.27 0.15 6.66 0.15 -1.26 -5.09 113.70 122.47 2cqw s SER 58 Ca 0.61 -1.53 -0.20 0.00 0.70 0.00 0.00 55.95 55.53 2cqw s SER 58 Cb -0.14 -1.37 0.05 0.00 -1.71 0.00 0.00 66.02 62.85 2cqw s SER 58 CO 0.32 -0.27 0.52 -0.55 1.20 0.00 0.00 173.24 174.45 2cqw s SER 59 N 1.20 -0.40 0.00 5.45 0.15 -1.26 -5.18 113.70 113.67 2cqw s SER 59 Ca -0.01 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2cqw s SER 59 Cb -0.19 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2cqw s SER 59 CO -0.08 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.03 2cqw n GLY 60 N -0.32 0.97 2.67 9.45 0.00 -1.26 -4.94 105.19 111.77 2cqw n GLY 60 Ca -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 2cqw n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqw n SER 61 N 0.00 -1.82 -4.25 1.61 7.64 -1.26 -4.92 113.62 110.63 2cqw n SER 61 Ca 0.00 1.31 -0.43 0.00 1.01 0.00 0.00 58.87 60.76 2cqw n SER 61 Cb 0.00 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 58.31 2cqw n SER 61 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2cqw s MET 62 N -0.68 3.24 0.53 1.43 1.00 -1.26 -5.06 119.30 118.49 2cqw s MET 62 Ca -0.23 -2.49 -0.21 0.00 0.00 0.00 0.00 55.69 52.75 2cqw s MET 62 Cb 0.02 -4.18 -0.06 0.00 0.00 0.00 0.00 34.83 30.61 2cqw s MET 62 CO 0.70 -1.25 1.19 0.00 0.00 0.00 0.00 175.02 175.67 2cqw s MET 63 N 0.07 3.37 -0.08 2.03 0.23 -1.26 -5.03 119.30 118.63 2cqw s MET 63 Ca 0.18 1.81 0.03 0.00 -1.03 0.00 0.00 55.69 56.68 2cqw s MET 63 Cb -0.14 -2.16 -0.01 0.00 -1.53 0.00 0.00 34.83 30.98 2cqw s MET 63 CO -0.07 -0.88 -0.19 0.20 -2.03 0.00 0.00 175.02 172.05 2cqw s GLY 64 N -1.46 1.43 0.00 3.16 0.00 -1.26 -5.10 107.32 104.09 2cqw s GLY 64 Ca 0.71 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2cqw s GLY 64 CO 0.34 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.56 2cqw n GLY 65 N 3.05 1.58 4.28 0.20 0.00 -1.26 -4.89 105.19 108.14 2cqw n GLY 65 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2cqw n GLY 65 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cqw n LYS 66 N 0.00 -1.30 -0.87 1.61 2.85 -1.26 -4.81 118.16 114.39 2cqw n LYS 66 Ca 0.00 0.14 -0.34 0.00 -1.05 0.00 0.00 58.31 57.06 2cqw n LYS 66 Cb 0.00 -3.80 0.09 0.00 -0.65 0.00 0.00 35.03 30.67 2cqw n LYS 66 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2cqw n ASP 67 N -2.88 -3.55 -4.85 -5.58 5.68 -1.26 -4.93 116.55 99.17 2cqw n ASP 67 Ca -0.30 0.23 -0.33 0.00 -0.50 0.00 0.00 54.79 53.90 2cqw n ASP 67 Cb 0.68 -1.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.60 2cqw n ASP 67 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2cqw s PHE 68 N -2.23 3.43 0.30 2.11 0.08 -1.26 -5.09 117.98 115.32 2cqw s PHE 68 Ca 0.50 1.14 0.11 0.00 0.12 0.00 0.00 56.93 58.80 2cqw s PHE 68 Cb -0.18 -2.47 -0.06 0.00 -0.57 0.00 0.00 43.02 39.75 2cqw s PHE 68 CO 0.73 0.18 -0.15 0.14 -0.10 0.00 0.00 175.22 176.01 2cqw s VAL 69 N -1.87 2.41 0.32 -0.44 -7.23 -1.26 -5.15 120.40 107.19 2cqw s VAL 69 Ca 0.50 -2.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2cqw s VAL 69 Cb -0.11 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2cqw s VAL 69 CO 0.19 -0.32 0.48 0.54 -0.31 0.00 0.00 175.10 175.68 2cqw s VAL 70 N -2.54 4.90 0.57 1.32 0.11 -1.26 -5.11 120.40 118.38 2cqw s VAL 70 Ca 0.31 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2cqw s VAL 70 Cb -0.02 -3.76 0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2cqw s VAL 70 CO 0.16 -0.40 0.80 -1.58 -3.33 0.00 0.00 175.10 170.75 2cqw s GLN 71 N -4.20 2.52 0.44 1.54 0.74 -1.26 -5.12 119.66 114.32 2cqw s GLN 71 Ca 0.39 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 55.17 2cqw s GLN 71 Cb -0.09 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.52 2cqw s GLN 71 CO 0.33 -0.77 0.07 -1.58 -0.55 0.00 0.00 175.29 172.79 2cqw s HIS 72 N -2.82 2.32 0.34 1.67 2.46 -1.26 -5.16 115.29 112.84 2cqw s HIS 72 Ca 0.57 -0.74 0.04 0.00 0.47 0.00 0.00 55.06 55.41 2cqw s HIS 72 Cb -0.10 -1.78 -0.06 0.00 -0.13 0.00 0.00 32.58 30.50 2cqw s HIS 72 CO 0.39 0.28 0.06 -0.51 -2.47 0.00 0.00 174.74 172.49 2cqw s LEU 73 N -3.83 2.24 0.48 8.88 2.01 -1.26 -5.17 118.68 122.03 2cqw s LEU 73 Ca 0.29 -1.40 0.03 0.00 0.01 0.00 0.00 54.13 53.06 2cqw s LEU 73 Cb 0.06 -0.42 -0.03 0.00 0.01 0.00 0.00 46.19 45.80 2cqw s LEU 73 CO 0.15 -0.61 0.02 -1.59 1.01 0.00 0.00 176.35 175.33 2cqw s LYS 74 N -3.86 2.12 0.16 1.70 0.00 -1.26 -5.16 119.74 113.44 2cqw s LYS 74 Ca 0.35 -2.29 -0.23 0.00 0.00 0.00 0.00 55.97 53.80 2cqw s LYS 74 Cb 0.08 -1.59 0.07 0.00 0.00 0.00 0.00 37.83 36.39 2cqw s LYS 74 CO 0.16 -0.26 0.65 -1.58 0.00 0.00 0.00 175.35 174.31 2cqw s TRP 75 N -2.82 -0.47 0.37 1.78 0.51 -1.26 -5.19 118.94 111.87 2cqw s TRP 75 Ca 0.17 0.23 0.04 0.00 -2.12 0.00 0.00 56.10 54.42 2cqw s TRP 75 Cb 0.04 0.58 -0.05 0.00 -0.81 0.00 0.00 33.47 33.23 2cqw s TRP 75 CO 0.09 -0.87 0.06 0.95 -0.51 0.00 0.00 176.95 176.67 2cqw s THR 76 N -3.70 1.15 -0.08 2.01 -4.23 -1.26 -5.15 115.64 104.38 2cqw s THR 76 Ca 0.03 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2cqw s THR 76 Cb -0.02 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2cqw s THR 76 CO -0.10 0.00 -0.02 -1.81 -0.54 0.00 0.00 174.62 172.15 2cqw s ASP 77 N -3.58 1.63 1.10 3.99 1.01 -1.26 -5.15 116.67 114.42 2cqw s ASP 77 Ca 0.31 -0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.28 2cqw s ASP 77 Cb 0.07 -0.53 0.21 0.00 1.01 0.00 0.00 42.92 43.68 2cqw s ASP 77 CO 0.14 -0.16 0.98 -0.81 0.21 0.00 0.00 175.17 175.53 2cqw n PRO 78 N 4.94 -1.87 -4.51 8.23 -0.04 -1.26 -5.10 135.00 135.40 2cqw n PRO 78 Ca -0.11 -1.53 -0.24 0.00 -0.04 0.00 0.00 63.50 61.58 2cqw n PRO 78 Cb 0.50 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 2cqw n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqw s SER 79 N -4.41 2.88 0.07 3.54 0.15 -1.26 -5.17 113.70 109.50 2cqw s SER 79 Ca 0.59 -1.38 0.01 0.00 0.70 0.00 0.00 55.95 55.86 2cqw s SER 79 Cb -0.04 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 2cqw s SER 79 CO 0.43 -0.57 -0.05 -0.83 1.20 0.00 0.00 173.24 173.42 2cqw s GLY 80 N -3.56 0.58 0.53 9.45 0.00 -1.26 -5.17 107.32 107.89 2cqw s GLY 80 Ca 0.35 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 2cqw s GLY 80 CO 0.16 -1.22 0.58 -1.55 0.00 0.00 0.00 173.10 171.07 2cqw n PRO 81 N 0.43 -1.32 -3.52 2.90 -0.04 -1.26 -5.11 135.00 127.08 2cqw n PRO 81 Ca -0.16 -0.92 -0.09 0.00 -0.04 0.00 0.00 63.50 62.30 2cqw n PRO 81 Cb 0.59 -0.72 -0.02 0.00 -0.04 0.00 0.00 33.50 33.31 2cqw n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqw s SER 82 N -3.14 -0.40 0.29 3.54 1.04 -1.26 -5.15 113.70 108.63 2cqw s SER 82 Ca 0.35 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2cqw s SER 82 Cb -0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2cqw s SER 82 CO 0.26 -0.78 0.00 -0.24 0.98 0.00 0.00 173.24 173.46 2cqw n SER 83 N -0.31 -4.75 0.00 7.02 2.88 -1.26 -5.38 113.62 111.81 2cqw n SER 83 Ca -0.10 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2cqw n SER 83 Cb 0.62 -2.67 0.00 0.00 -0.75 0.00 0.00 64.21 61.42 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42