#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqw s SER 2 N 0.00 -0.36 0.27 1.61 0.01 -1.26 -5.18 113.70 108.79 2cqw s SER 2 Ca 0.00 0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.39 2cqw s SER 2 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2cqw s SER 2 CO 0.00 -0.68 0.08 -0.55 0.41 0.00 0.00 173.24 172.51 2cqw s SER 3 N -1.93 1.48 0.65 2.44 0.15 -1.26 -5.17 113.70 110.07 2cqw s SER 3 Ca -0.06 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2cqw s SER 3 Cb -0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2cqw s SER 3 CO -0.01 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2cqw n GLY 4 N -0.52 -0.11 3.64 9.45 0.00 -1.26 -5.13 105.19 111.27 2cqw n GLY 4 Ca -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 2cqw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 5 N -1.00 -0.16 1.03 1.61 0.15 -1.26 -5.16 113.70 108.90 2cqw s SER 5 Ca 0.00 0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.71 2cqw s SER 5 Cb 0.00 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 2cqw s SER 5 CO 0.00 -0.09 -0.61 -1.20 1.20 0.00 0.00 173.24 172.55 2cqw n SER 6 N 1.33 -3.34 -3.90 5.45 7.64 -1.26 -5.01 113.62 114.52 2cqw n SER 6 Ca -0.08 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 2cqw n SER 6 Cb 0.57 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2cqw n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqw s GLY 7 N -1.42 0.07 0.63 0.23 0.00 -1.26 -5.15 107.32 100.42 2cqw s GLY 7 Ca 0.46 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 2cqw s GLY 7 CO 0.70 -0.20 1.07 -0.26 0.00 0.00 0.00 173.10 174.41 2cqw s ILE 8 N -0.44 3.71 -0.41 0.90 -4.36 -1.26 -4.95 121.20 114.38 2cqw s ILE 8 Ca -0.05 0.75 -0.29 0.00 -0.26 0.00 0.00 60.65 60.81 2cqw s ILE 8 Cb -0.03 -3.31 0.01 0.00 1.25 0.00 0.00 42.46 40.38 2cqw s ILE 8 CO -0.00 -0.53 1.41 -2.16 0.24 0.00 0.00 174.94 173.90 2cqw s PRO 9 N -4.26 3.57 0.00 0.37 0.04 -1.26 -4.91 135.00 128.55 2cqw s PRO 9 Ca 0.63 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2cqw s PRO 9 Cb -0.17 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2cqw s PRO 9 CO 0.41 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.29 2cqw n GLY 10 N 5.09 0.17 3.55 0.56 0.00 -1.26 -4.84 105.19 108.46 2cqw n GLY 10 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2cqw n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqw s PRO 11 N 0.00 2.97 0.00 1.61 0.04 -1.26 -4.77 135.00 133.59 2cqw s PRO 11 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2cqw s PRO 11 Cb 0.00 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2cqw s PRO 11 CO 0.00 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2cqw n GLY 12 N 5.97 0.63 3.30 0.56 0.00 -1.26 -5.06 105.19 109.32 2cqw n GLY 12 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2cqw n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2cqw n PHE 13 N 0.00 -2.24 -3.82 1.61 7.35 -1.26 -4.94 117.46 114.16 2cqw n PHE 13 Ca 0.00 0.55 -0.33 0.00 -0.76 0.00 0.00 57.45 56.90 2cqw n PHE 13 Cb 0.00 -1.76 -0.05 0.00 0.35 0.00 0.00 39.48 38.02 2cqw n PHE 13 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2cqw s THR 14 N -1.80 5.34 0.47 -2.13 -4.23 -1.26 -5.11 115.64 106.93 2cqw s THR 14 Ca 0.59 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 2cqw s THR 14 Cb -0.57 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 69.69 2cqw s THR 14 CO 0.63 0.29 0.30 0.00 -0.54 0.00 0.00 174.62 175.30 2cqw s ALA 15 N -1.38 4.06 0.06 3.99 0.00 -1.26 -5.15 121.76 122.08 2cqw s ALA 15 Ca 0.30 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2cqw s ALA 15 Cb -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2cqw s ALA 15 CO 0.19 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2cqw n GLY 16 N -1.52 1.81 3.11 0.00 0.00 -1.26 -5.11 105.19 102.21 2cqw n GLY 16 Ca -0.02 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.56 1.89 0.29 4.61 0.00 -1.26 -5.11 121.76 119.62 2cqw s ALA 17 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 2cqw s ALA 17 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2cqw s ALA 17 CO 0.00 -0.01 0.62 -0.65 0.00 0.00 0.00 175.76 175.72 2cqw s GLN 18 N 0.85 1.77 0.00 0.00 -1.52 -1.26 -5.08 119.66 114.42 2cqw s GLN 18 Ca -0.08 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.12 2cqw s GLN 18 Cb -0.15 0.55 0.00 0.00 -0.22 0.00 0.00 33.01 33.18 2cqw s GLN 18 CO -0.00 -0.78 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 2cqw n GLY 19 N -0.45 0.59 3.23 3.09 0.00 -1.26 -4.84 105.19 105.56 2cqw n GLY 19 Ca -0.03 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2cqw n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw s SER 20 N -0.17 2.11 -0.38 1.61 0.01 -1.26 -4.78 113.70 110.83 2cqw s SER 20 Ca 0.00 -0.69 0.10 0.00 1.31 0.00 0.00 55.95 56.67 2cqw s SER 20 Cb 0.00 -0.09 0.44 0.00 0.21 0.00 0.00 66.02 66.58 2cqw s SER 20 CO 0.00 -0.03 1.06 0.00 0.41 0.00 0.00 173.24 174.68 2cqw h SER 22 N 2.69 -0.07 -0.52 0.00 0.87 -1.96 -3.36 113.55 111.19 2cqw h SER 22 Ca 0.16 -0.56 -0.38 0.00 -1.23 0.00 0.00 61.79 59.77 2cqw h SER 22 Cb 1.06 0.02 -0.31 0.00 -0.44 0.00 0.00 62.40 62.74 2cqw h SER 22 CO 0.70 0.60 -0.73 0.00 -0.53 0.00 0.00 176.83 176.87 2cqw n LEU 23 N -4.80 4.20 0.00 2.23 -0.00 -1.26 -4.87 117.00 112.50 2cqw n LEU 23 Ca -0.08 -4.46 0.00 0.00 -0.00 0.00 0.00 56.01 51.47 2cqw n LEU 23 Cb 0.31 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2cqw n LEU 23 CO 0.29 1.88 0.00 0.54 -0.00 0.00 0.00 177.39 180.09 2cqw n ARG 24 N -0.82 0.00 -3.63 1.47 1.74 -1.26 -5.00 116.66 109.16 2cqw n ARG 24 Ca 0.36 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.19 2cqw n ARG 24 Cb 0.89 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.40 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 -0.34 3.44 0.00 0.00 0.16 -4.86 105.19 101.62 2cqw n GLY 26 Ca 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.64 -0.09 4.61 0.00 -1.15 -4.90 121.76 119.59 2cqw s ALA 27 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2cqw s ALA 27 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2cqw s ALA 27 CO 0.00 -0.74 -0.14 -0.65 0.00 0.00 0.00 175.76 174.23 2cqw s GLN 28 N -3.90 2.07 0.42 0.00 -0.21 -1.26 0.11 119.66 116.89 2cqw s GLN 28 Ca 0.11 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.01 2cqw s GLN 28 Cb 0.01 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 2cqw s GLN 28 CO -0.03 -0.03 0.10 0.34 -2.12 0.00 0.00 175.29 173.56 2cqw s ASP 29 N 0.88 2.97 -0.13 5.90 2.15 -0.54 -4.95 116.67 122.95 2cqw s ASP 29 Ca -0.09 -1.64 -0.12 0.00 0.43 0.00 0.00 52.55 51.12 2cqw s ASP 29 Cb -0.15 0.45 -0.10 0.00 -0.30 0.00 0.00 42.92 42.82 2cqw s ASP 29 CO 0.01 -0.89 0.18 1.23 -0.17 0.00 0.00 175.17 175.53 2cqw h GLY 30 N 1.75 0.00 0.76 2.66 0.00 -2.00 -3.37 103.07 102.87 2cqw h GLY 30 Ca -0.37 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.01 2cqw h GLY 30 CO 0.61 0.00 0.40 1.41 0.00 0.00 0.00 176.54 178.96 2cqw h LEU 31 N -1.00 0.63 0.00 3.11 3.38 -1.94 -3.46 115.31 116.03 2cqw h LEU 31 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cqw h LEU 31 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2cqw h LEU 31 CO -0.03 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2cqw s SER 33 N 0.06 -0.70 -0.27 0.00 0.15 0.53 -1.47 113.70 112.00 2cqw s SER 33 Ca 0.00 1.28 0.12 0.00 0.70 0.00 0.00 55.95 58.05 2cqw s SER 33 Cb 0.00 1.26 0.78 0.00 -1.71 0.00 0.00 66.02 66.34 2cqw s SER 33 CO 0.00 -0.22 1.76 0.00 1.20 0.00 0.00 173.24 175.98 2cqw s HIS 35 N -2.88 3.37 -2.00 0.00 2.46 -0.07 0.40 115.29 116.57 2cqw s HIS 35 Ca 0.54 0.09 0.23 0.00 0.47 0.00 0.00 55.06 56.40 2cqw s HIS 35 Cb 0.43 -1.63 1.38 0.00 -0.13 0.00 0.00 32.58 32.63 2cqw s HIS 35 CO 0.14 0.53 1.76 -0.35 -2.47 0.00 0.00 174.74 174.36 2cqw n PRO 36 N -0.29 0.75 0.00 2.88 -0.04 -1.26 -2.13 135.00 134.91 2cqw n PRO 36 Ca -0.07 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2cqw n PRO 36 Cb 0.54 -1.48 0.20 0.00 -0.04 0.00 0.00 33.50 32.71 2cqw n PRO 36 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2cqw n THR 37 N -0.98 0.00 0.30 0.52 -1.04 -1.26 -4.00 114.28 107.82 2cqw n THR 37 Ca 0.17 -0.13 0.17 0.00 -2.04 0.00 0.00 64.05 62.22 2cqw n THR 37 Cb 0.08 0.68 0.88 0.00 -1.82 0.00 0.00 70.33 70.15 2cqw n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cqw h SER 39 N 0.00 0.55 0.56 0.00 0.02 -1.83 1.49 113.55 114.35 2cqw h SER 39 Ca 0.03 -0.49 -0.20 0.00 -0.84 0.00 0.00 61.79 60.28 2cqw h SER 39 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2cqw h SER 39 CO -0.00 0.93 -0.90 1.23 -1.14 0.00 0.00 176.83 176.95 2cqw h GLY 40 N 0.19 0.25 0.00 -3.77 0.00 -0.65 -3.35 103.07 95.74 2cqw h GLY 40 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2cqw h GLY 40 CO 0.06 0.40 -0.06 1.41 0.00 0.00 0.00 176.54 178.35 2cqw h LEU 41 N 0.12 0.00 0.00 3.11 3.38 -0.85 -3.49 115.31 117.58 2cqw h LEU 41 Ca -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2cqw h LEU 41 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2cqw h LEU 41 CO 0.14 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2cqw n GLY 42 N 1.75 1.97 2.10 0.83 0.00 0.51 -5.03 105.19 107.32 2cqw n GLY 42 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.66 2.56 -2.44 2.61 -2.24 -1.09 -5.04 114.28 107.98 2cqw n THR 43 Ca 0.00 -4.27 -0.38 0.00 -2.27 0.00 0.00 64.05 57.13 2cqw n THR 43 Cb 0.00 -1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 67.04 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 -0.25 0.00 -0.22 0.00 4.39 -1.96 -2.97 114.58 113.57 2cqw h GLU 46 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2cqw h GLU 46 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2cqw h GLU 46 CO 0.61 0.55 0.00 -0.40 -1.16 0.00 0.00 179.01 178.61 2cqw n ASP 47 N -3.61 3.22 -0.03 1.42 5.68 -1.26 -4.61 116.55 117.36 2cqw n ASP 47 Ca -0.00 -2.64 -0.13 0.00 -0.50 0.00 0.00 54.79 51.52 2cqw n ASP 47 Cb 0.61 -0.39 -0.08 0.00 -1.14 0.00 0.00 41.12 40.12 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 1.45 0.17 -0.05 2.11 3.57 -1.86 -1.83 116.94 120.50 2cqw h PHE 48 Ca 0.00 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.27 2cqw h PHE 48 Cb 1.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2cqw h PHE 48 CO 0.30 0.55 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.10 2cqw h LEU 49 N -0.26 0.41 -1.08 0.59 3.38 -1.76 1.66 115.31 118.25 2cqw h LEU 49 Ca 0.01 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2cqw h LEU 49 Cb 0.52 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2cqw h LEU 49 CO 0.01 1.03 0.62 0.44 0.09 0.00 0.00 178.44 180.63 2cqw h ASP 50 N 0.22 1.03 0.24 -0.43 5.19 -1.80 0.36 116.42 121.22 2cqw h ASP 50 Ca -0.04 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.24 2cqw h ASP 50 Cb 1.35 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 2cqw h ASP 50 CO 0.13 0.70 -1.89 -1.22 -3.12 0.00 0.00 179.24 173.84 2cqw n TYR 51 N -4.44 0.29 -3.21 4.55 4.01 -0.69 -4.50 117.16 113.16 2cqw n TYR 51 Ca 0.13 0.09 -0.26 0.00 -0.16 0.00 0.00 57.90 57.70 2cqw n TYR 51 Cb 0.10 -0.79 -0.06 0.00 -0.31 0.00 0.00 39.34 38.29 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 0.51 4.99 -2.35 0.00 4.77 0.12 -4.21 117.00 120.83 2cqw n LEU 53 Ca 0.28 -2.72 -0.02 0.00 -0.03 0.00 0.00 56.01 53.52 2cqw n LEU 53 Cb 0.45 -0.61 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 2cqw n LEU 53 CO 0.33 0.71 0.51 -1.84 -1.33 0.00 0.00 177.39 175.78 2cqw n GLU 54 N 0.65 0.82 -0.00 3.23 0.28 -1.26 -4.94 120.64 119.41 2cqw n GLU 54 Ca 0.25 -0.90 0.05 0.00 -0.16 0.00 0.00 57.16 56.40 2cqw n GLU 54 Cb 1.01 0.19 -0.07 0.00 1.43 0.00 0.00 31.44 33.99 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2cqw n ILE 55 N -0.86 0.00 -3.99 3.84 -5.35 -1.26 -5.00 119.36 106.74 2cqw n ILE 55 Ca -0.12 -0.24 -0.24 0.00 -0.27 0.00 0.00 62.75 61.88 2cqw n ILE 55 Cb 0.74 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 2cqw n ILE 55 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2cqw s LEU 56 N -3.41 4.21 0.11 7.28 -0.00 -1.26 -5.01 118.68 120.59 2cqw s LEU 56 Ca -0.02 0.05 -0.30 0.00 -0.00 0.00 0.00 54.13 53.86 2cqw s LEU 56 Cb 0.07 -2.77 -0.06 0.00 -0.00 0.00 0.00 46.19 43.43 2cqw s LEU 56 CO 0.43 -0.00 1.14 -2.16 -0.00 0.00 0.00 176.35 175.76 2cqw s PRO 57 N -3.56 4.51 -0.49 1.48 0.04 -1.26 -5.01 135.00 130.71 2cqw s PRO 57 Ca 0.34 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.15 2cqw s PRO 57 Cb -0.10 -3.32 0.12 0.00 0.04 0.00 0.00 34.50 31.25 2cqw s PRO 57 CO 0.28 -0.10 0.22 -1.12 0.04 0.00 0.00 177.00 176.32 2cqw s SER 58 N 0.53 4.38 0.00 6.66 0.01 -1.26 -4.88 113.70 119.14 2cqw s SER 58 Ca 0.54 -2.86 0.00 0.00 1.31 0.00 0.00 55.95 54.94 2cqw s SER 58 Cb -0.29 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2cqw s SER 58 CO 0.32 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.47 2cqw n SER 59 N 3.31 0.00 -0.76 2.44 2.88 -1.26 -4.75 113.62 115.48 2cqw n SER 59 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2cqw n SER 59 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2cqw n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqw n GLY 60 N 0.00 -3.98 3.81 0.46 0.00 -1.26 -5.07 105.19 99.15 2cqw n GLY 60 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 2cqw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqw s SER 61 N -0.37 4.84 0.31 1.61 0.01 -1.26 -5.15 113.70 113.69 2cqw s SER 61 Ca 0.00 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 56.52 2cqw s SER 61 Cb 0.00 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 2cqw s SER 61 CO 0.00 -0.51 -0.05 -0.04 0.41 0.00 0.00 173.24 173.05 2cqw s MET 62 N -3.99 1.67 -0.69 12.44 -1.94 -1.26 -5.06 119.30 120.46 2cqw s MET 62 Ca 0.43 -1.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.28 2cqw s MET 62 Cb -0.01 -1.30 -0.05 0.00 2.01 0.00 0.00 34.83 35.48 2cqw s MET 62 CO 0.25 0.03 2.02 1.41 -0.01 0.00 0.00 175.02 178.72 2cqw s MET 63 N -3.72 2.43 0.07 2.03 1.75 -1.26 -4.82 119.30 115.79 2cqw s MET 63 Ca 0.32 0.46 -0.26 0.00 -1.25 0.00 0.00 55.69 54.96 2cqw s MET 63 Cb 0.05 -4.65 0.09 0.00 2.84 0.00 0.00 34.83 33.16 2cqw s MET 63 CO 0.14 -3.16 1.17 0.20 -0.65 0.00 0.00 175.02 172.72 2cqw s GLY 64 N 8.96 -0.10 0.00 2.11 0.00 -1.26 -5.19 107.32 111.84 2cqw s GLY 64 Ca 0.75 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2cqw s GLY 64 CO 0.14 3.00 0.00 0.61 0.00 0.00 0.00 173.10 176.85 2cqw n GLY 65 N -0.72 2.20 3.33 0.20 0.00 -1.26 -5.18 105.19 103.76 2cqw n GLY 65 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2cqw n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqw s LYS 66 N -2.00 0.70 0.05 1.61 -2.85 -1.26 -5.17 119.74 110.82 2cqw s LYS 66 Ca 0.00 0.15 -0.27 0.00 -1.00 0.00 0.00 55.97 54.84 2cqw s LYS 66 Cb 0.00 0.33 0.09 0.00 -2.06 0.00 0.00 37.83 36.19 2cqw s LYS 66 CO 0.00 -0.18 0.84 0.34 0.10 0.00 0.00 175.35 176.46 2cqw s ASP 67 N -0.83 -0.37 0.34 0.03 2.15 -1.26 -5.19 116.67 111.54 2cqw s ASP 67 Ca -0.09 -0.07 0.07 0.00 0.43 0.00 0.00 52.55 52.90 2cqw s ASP 67 Cb -0.04 0.44 -0.07 0.00 -0.30 0.00 0.00 42.92 42.96 2cqw s ASP 67 CO 0.04 -0.73 -0.03 0.12 -0.17 0.00 0.00 175.17 174.40 2cqw s PHE 68 N -3.27 2.23 -0.11 -5.34 5.36 -1.26 -5.16 117.98 110.44 2cqw s PHE 68 Ca 0.05 -0.67 -0.30 0.00 -0.96 0.00 0.00 56.93 55.05 2cqw s PHE 68 Cb -0.01 -1.39 0.09 0.00 -0.34 0.00 0.00 43.02 41.37 2cqw s PHE 68 CO -0.08 0.37 0.77 0.54 -1.46 0.00 0.00 175.22 175.36 2cqw s VAL 69 N -2.86 0.00 0.01 3.12 0.11 -1.26 -5.17 120.40 114.35 2cqw s VAL 69 Ca 0.33 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 2cqw s VAL 69 Cb 0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2cqw s VAL 69 CO 0.15 0.00 -0.06 0.54 -3.33 0.00 0.00 175.10 172.41 2cqw s VAL 70 N -0.94 0.42 0.36 2.04 0.11 -1.26 -5.16 120.40 115.96 2cqw s VAL 70 Ca -0.07 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.57 2cqw s VAL 70 Cb -0.01 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 2cqw s VAL 70 CO 0.06 -0.05 0.02 -1.58 -3.33 0.00 0.00 175.10 170.23 2cqw s GLN 71 N -0.56 1.78 0.26 1.54 0.74 -1.26 -5.16 119.66 117.00 2cqw s GLN 71 Ca -0.02 -1.99 0.02 0.00 0.05 0.00 0.00 55.36 53.42 2cqw s GLN 71 Cb -0.04 -1.26 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 2cqw s GLN 71 CO -0.00 -0.09 0.23 -1.01 -0.55 0.00 0.00 175.29 173.86 2cqw s HIS 72 N -2.99 1.37 0.38 1.67 3.76 -1.26 -5.18 115.29 113.03 2cqw s HIS 72 Ca 0.35 -1.46 0.04 0.00 -0.15 0.00 0.00 55.06 53.83 2cqw s HIS 72 Cb 0.09 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 2cqw s HIS 72 CO 0.16 -0.78 0.12 -0.51 -0.85 0.00 0.00 174.74 172.88 2cqw s LEU 73 N -3.25 1.97 0.44 0.89 2.01 -1.26 -5.17 118.68 114.31 2cqw s LEU 73 Ca 0.39 -1.60 0.07 0.00 0.01 0.00 0.00 54.13 53.00 2cqw s LEU 73 Cb 0.04 -0.10 -0.02 0.00 0.01 0.00 0.00 46.19 46.12 2cqw s LEU 73 CO 0.19 -0.87 0.31 -0.75 1.01 0.00 0.00 176.35 176.25 2cqw s LYS 74 N -3.76 2.37 0.07 1.70 2.20 -1.26 -5.15 119.74 115.91 2cqw s LYS 74 Ca 0.28 -1.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.17 2cqw s LYS 74 Cb 0.04 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 2cqw s LYS 74 CO 0.15 -0.25 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.24 2cqw s TRP 75 N -2.58 0.76 0.21 4.03 0.52 -1.26 -5.16 118.94 115.46 2cqw s TRP 75 Ca 0.43 -0.73 0.03 0.00 0.02 0.00 0.00 56.10 55.84 2cqw s TRP 75 Cb -0.01 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.83 2cqw s TRP 75 CO 0.25 -0.14 0.35 0.99 0.02 0.00 0.00 176.95 178.42 2cqw s THR 76 N -2.61 5.27 0.02 2.01 2.01 -1.26 -5.11 115.64 115.97 2cqw s THR 76 Ca 0.01 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2cqw s THR 76 Cb -0.02 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2cqw s THR 76 CO -0.03 -0.23 0.01 1.51 -0.69 0.00 0.00 174.62 175.19 2cqw s ASP 77 N -3.58 5.13 0.99 3.53 -4.77 -1.26 -5.12 116.67 111.59 2cqw s ASP 77 Ca 0.35 -0.04 -0.15 0.00 -3.30 0.00 0.00 52.55 49.41 2cqw s ASP 77 Cb -0.10 -1.32 0.19 0.00 -1.09 0.00 0.00 42.92 40.60 2cqw s ASP 77 CO 0.29 0.25 1.18 -2.16 0.70 0.00 0.00 175.17 175.43 2cqw s PRO 78 N -1.75 0.46 0.40 2.11 0.04 -1.26 -5.08 135.00 129.92 2cqw s PRO 78 Ca 0.21 0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.36 2cqw s PRO 78 Cb -0.12 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2cqw s PRO 78 CO 0.12 -2.61 0.36 0.45 0.04 0.00 0.00 177.00 175.37 2cqw s SER 79 N -4.21 5.11 0.33 6.66 0.15 -1.26 -5.13 113.70 115.36 2cqw s SER 79 Ca 0.68 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 2cqw s SER 79 Cb -0.11 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.49 2cqw s SER 79 CO 0.54 -0.58 0.57 -0.83 1.20 0.00 0.00 173.24 174.13 2cqw s GLY 80 N -4.10 1.54 -0.07 9.45 0.00 -1.26 -5.04 107.32 107.84 2cqw s GLY 80 Ca 0.46 -0.76 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 2cqw s GLY 80 CO 0.28 -0.67 0.67 -0.56 0.00 0.00 0.00 173.10 172.82 2cqw h PRO 81 N 1.05 -0.18 -3.46 2.90 0.13 -2.08 -3.50 132.00 126.86 2cqw h PRO 81 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cqw h PRO 81 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2cqw h PRO 81 CO 0.63 0.22 -0.83 0.45 -0.23 0.00 0.00 178.00 178.25 2cqw n SER 82 N -4.88 -8.20 -3.87 1.44 2.88 -1.26 -5.08 113.62 94.65 2cqw n SER 82 Ca -0.06 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.53 2cqw n SER 82 Cb 0.24 -4.25 -0.05 0.00 -0.75 0.00 0.00 64.21 59.40 2cqw n SER 82 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqw s SER 83 N -2.54 0.01 0.00 -3.46 0.01 -1.26 -5.33 113.70 101.13 2cqw s SER 83 Ca 0.00 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.28 2cqw s SER 83 Cb 0.00 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.85 2cqw s SER 83 CO 0.00 -1.19 0.54 0.61 0.41 0.00 0.00 173.24 173.61