#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 -0.80 -0.05 1.61 0.15 -1.26 -5.16 113.70 108.19 2cqw s SER 2 Ca 0.00 1.32 0.01 0.00 0.70 0.00 0.00 55.95 57.97 2cqw s SER 2 Cb 0.00 1.33 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 2cqw s SER 2 CO 0.00 -0.21 -0.05 -0.55 1.20 0.00 0.00 173.24 173.63 2cqw s SER 3 N 1.39 1.19 0.41 5.45 0.15 -1.26 -5.15 113.70 115.89 2cqw s SER 3 Ca -0.08 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.48 2cqw s SER 3 Cb -0.05 -0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 63.68 2cqw s SER 3 CO -0.16 -0.07 0.04 -0.83 1.20 0.00 0.00 173.24 173.42 2cqw s GLY 4 N 1.07 2.50 -0.03 9.45 0.00 -1.26 -5.15 107.32 113.90 2cqw s GLY 4 Ca -0.08 -2.21 0.06 0.00 0.00 0.00 0.00 44.72 42.48 2cqw s GLY 4 CO -0.01 -2.07 -0.20 -1.35 0.00 0.00 0.00 173.10 169.48 2cqw s SER 5 N -3.75 2.35 -0.23 1.64 1.04 -1.26 -5.12 113.70 108.37 2cqw s SER 5 Ca 0.35 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2cqw s SER 5 Cb 0.09 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.80 2cqw s SER 5 CO 0.18 0.22 -0.07 -0.94 0.98 0.00 0.00 173.24 173.61 2cqw s SER 6 N -0.28 4.14 -0.97 7.02 1.04 -1.26 -5.03 113.70 118.36 2cqw s SER 6 Ca 0.03 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2cqw s SER 6 Cb -0.09 -1.67 0.30 0.00 0.10 0.00 0.00 66.02 64.65 2cqw s SER 6 CO 0.01 -0.06 1.37 0.61 0.98 0.00 0.00 173.24 176.14 2cqw n GLY 7 N 4.73 5.26 2.57 7.32 0.00 -1.26 -4.86 105.19 118.95 2cqw n GLY 7 Ca -0.18 -2.68 -0.27 0.00 0.00 0.00 0.00 46.02 42.89 2cqw n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cqw n ILE 8 N 0.97 0.50 -1.39 -0.61 -5.35 -1.26 -5.11 119.36 107.12 2cqw n ILE 8 Ca 0.30 -4.34 -0.26 0.00 -0.27 0.00 0.00 62.75 58.19 2cqw n ILE 8 Cb 0.34 -1.97 0.20 0.00 -1.74 0.00 0.00 39.64 36.47 2cqw n ILE 8 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2cqw n PRO 9 N 2.01 -1.98 -1.66 6.28 -0.04 -1.26 -4.89 135.00 133.45 2cqw n PRO 9 Ca 0.25 -1.64 -0.57 0.00 -0.04 0.00 0.00 63.50 61.50 2cqw n PRO 9 Cb 0.43 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2cqw n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqw n GLY 10 N -3.12 0.53 3.65 0.55 0.00 -1.26 -4.85 105.19 100.69 2cqw n GLY 10 Ca 0.14 0.85 -0.43 0.00 0.00 0.00 0.00 46.02 46.58 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 2.14 4.07 -0.30 1.61 0.04 -1.26 -4.96 135.00 136.33 2cqw s PRO 11 Ca 0.94 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.38 2cqw s PRO 11 Cb -1.11 -3.84 0.18 0.00 0.04 0.00 0.00 34.50 29.77 2cqw s PRO 11 CO 0.61 -0.93 0.87 0.20 0.04 0.00 0.00 177.00 177.79 2cqw s GLY 12 N 2.50 -0.57 0.47 0.56 0.00 -1.26 -5.15 107.32 103.86 2cqw s GLY 12 Ca 0.57 2.47 -0.24 0.00 0.00 0.00 0.00 44.72 47.52 2cqw s GLY 12 CO 0.19 3.55 1.26 -0.12 0.00 0.00 0.00 173.10 177.98 2cqw s PHE 13 N 2.85 2.70 0.70 1.90 5.36 -1.26 -4.92 117.98 125.30 2cqw s PHE 13 Ca 0.06 1.45 -0.17 0.00 -0.96 0.00 0.00 56.93 57.32 2cqw s PHE 13 Cb -0.11 -3.58 -0.15 0.00 -0.34 0.00 0.00 43.02 38.84 2cqw s PHE 13 CO -0.16 -2.06 -0.41 -2.37 -1.46 0.00 0.00 175.22 168.76 2cqw n THR 14 N -0.44 0.00 -2.70 0.12 5.66 -1.26 -4.96 114.28 110.70 2cqw n THR 14 Ca 0.07 -0.49 -0.06 0.00 -3.05 0.00 0.00 64.05 60.52 2cqw n THR 14 Cb 0.46 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.31 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cqw n ALA 15 N -1.89 -2.46 -0.19 1.79 0.00 -1.26 -5.11 120.51 111.40 2cqw n ALA 15 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2cqw n ALA 15 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2cqw n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqw n GLY 16 N 1.26 -1.33 3.77 0.00 0.00 -1.26 -4.98 105.19 102.66 2cqw n GLY 16 Ca 0.03 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.18 3.55 0.46 4.61 0.00 -1.26 -5.02 121.76 123.93 2cqw s ALA 17 Ca 0.00 1.43 0.07 0.00 0.00 0.00 0.00 51.96 53.46 2cqw s ALA 17 Cb 0.00 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.63 2cqw s ALA 17 CO 0.00 -0.87 0.56 0.00 0.00 0.00 0.00 175.76 175.45 2cqw n GLN 18 N 0.78 0.72 0.00 0.00 0.00 -1.26 -4.98 117.38 112.64 2cqw n GLN 18 Ca 0.01 -2.60 0.00 0.00 0.00 0.00 0.00 57.00 54.41 2cqw n GLN 18 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.59 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cqw n GLY 19 N -0.62 0.76 3.30 2.61 0.00 -1.26 -4.83 105.19 105.16 2cqw n GLY 19 Ca 0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.62 -0.53 1.61 0.01 -1.26 -4.82 113.70 111.33 2cqw s SER 20 Ca 0.00 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.58 2cqw s SER 20 Cb 0.00 -0.15 0.38 0.00 0.21 0.00 0.00 66.02 66.47 2cqw s SER 20 CO 0.00 0.05 1.11 0.00 0.41 0.00 0.00 173.24 174.81 2cqw h SER 22 N 2.80 -0.21 0.00 0.00 4.64 -1.96 -3.38 113.55 115.44 2cqw h SER 22 Ca 0.26 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2cqw h SER 22 Cb 0.71 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2cqw h SER 22 CO 0.87 -0.11 -0.65 0.00 -0.87 0.00 0.00 176.83 176.08 2cqw n LEU 23 N -2.72 0.21 0.00 5.97 -0.00 -1.26 -4.85 117.00 114.35 2cqw n LEU 23 Ca -0.02 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 2cqw n LEU 23 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2cqw n LEU 23 CO 0.04 0.05 0.00 0.54 -0.00 0.00 0.00 177.39 178.03 2cqw n ARG 24 N -1.35 0.00 -3.64 1.47 1.74 -1.26 -4.82 116.66 108.79 2cqw n ARG 24 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 2cqw n ARG 24 Cb 0.13 -0.29 0.07 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.81 3.54 0.00 0.00 0.49 -4.86 105.19 101.57 2cqw n GLY 26 Ca 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.49 -0.09 4.61 0.00 -1.00 -4.84 121.76 119.95 2cqw s ALA 27 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2cqw s ALA 27 Cb 0.00 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.08 2cqw s ALA 27 CO 0.00 -0.81 -0.14 -0.65 0.00 0.00 0.00 175.76 174.16 2cqw s GLN 28 N -3.95 2.05 0.43 0.00 -0.21 -1.26 0.13 119.66 116.84 2cqw s GLN 28 Ca 0.16 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.07 2cqw s GLN 28 Cb -0.00 -1.73 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 2cqw s GLN 28 CO 0.03 -0.03 0.11 0.34 -2.12 0.00 0.00 175.29 173.62 2cqw s ASP 29 N 0.88 3.02 -0.16 5.90 2.15 -0.52 -4.95 116.67 122.98 2cqw s ASP 29 Ca -0.09 -1.67 -0.22 0.00 0.43 0.00 0.00 52.55 50.99 2cqw s ASP 29 Cb -0.15 0.50 -0.19 0.00 -0.30 0.00 0.00 42.92 42.78 2cqw s ASP 29 CO 0.01 -0.92 0.42 1.23 -0.17 0.00 0.00 175.17 175.74 2cqw h GLY 30 N 1.72 0.00 0.92 2.66 0.00 -1.99 -3.38 103.07 103.00 2cqw h GLY 30 Ca -0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2cqw h GLY 30 CO 0.60 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.67 2cqw h LEU 31 N -1.00 0.42 0.00 3.11 -0.00 -1.92 -3.47 115.31 112.45 2cqw h LEU 31 Ca -0.14 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2cqw h LEU 31 Cb 1.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 2cqw h LEU 31 CO -0.08 0.47 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 2cqw s SER 33 N -0.34 -0.68 -0.25 0.00 0.15 0.47 -1.44 113.70 111.61 2cqw s SER 33 Ca 0.00 1.22 0.13 0.00 0.70 0.00 0.00 55.95 58.01 2cqw s SER 33 Cb 0.00 1.19 0.70 0.00 -1.71 0.00 0.00 66.02 66.20 2cqw s SER 33 CO 0.00 -0.21 1.66 0.00 1.20 0.00 0.00 173.24 175.89 2cqw s HIS 35 N -2.90 3.48 -0.49 0.00 5.04 0.89 0.18 115.29 121.50 2cqw s HIS 35 Ca 0.51 0.46 0.26 0.00 -1.54 0.00 0.00 55.06 54.74 2cqw s HIS 35 Cb 0.40 -1.94 0.89 0.00 0.04 0.00 0.00 32.58 31.97 2cqw s HIS 35 CO 0.12 0.36 1.76 -1.00 -2.34 0.00 0.00 174.74 173.64 2cqw h PRO 36 N 2.20 0.00 -0.40 2.88 0.13 -1.92 -2.57 132.00 132.33 2cqw h PRO 36 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cqw h PRO 36 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cqw h PRO 36 CO 0.69 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.71 2cqw n THR 37 N -2.47 0.53 0.32 1.56 -2.24 -1.26 -3.92 114.28 106.80 2cqw n THR 37 Ca 0.03 -0.62 0.16 0.00 -2.27 0.00 0.00 64.05 61.35 2cqw n THR 37 Cb 0.35 0.50 0.62 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.78 1.32 0.00 4.64 -1.80 1.51 113.55 119.99 2cqw h SER 39 Ca 0.00 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 2cqw h SER 39 Cb 0.47 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2cqw h SER 39 CO 0.00 1.17 -0.25 1.23 -0.87 0.00 0.00 176.83 178.10 2cqw h GLY 40 N 0.90 0.00 0.00 -0.77 0.00 -1.72 -3.31 103.07 98.17 2cqw h GLY 40 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 2cqw h GLY 40 CO 0.11 0.00 -1.47 1.04 0.00 0.00 0.00 176.54 176.22 2cqw n LEU 41 N -3.26 1.88 0.00 3.11 4.77 -1.07 -5.03 117.00 117.40 2cqw n LEU 41 Ca 0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2cqw n LEU 41 Cb 0.54 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2cqw n LEU 41 CO 0.35 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2cqw n GLY 42 N 1.41 1.45 0.22 -0.72 0.00 0.51 -5.01 105.19 103.06 2cqw n GLY 42 Ca -0.34 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.39 1.50 -1.72 2.61 -2.24 -0.94 -5.04 114.28 108.06 2cqw n THR 43 Ca 0.00 -1.59 -0.38 0.00 -2.27 0.00 0.00 64.05 59.81 2cqw n THR 43 Cb 0.00 0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.04 0.00 -0.26 0.00 5.08 -1.94 -2.73 114.58 114.77 2cqw h GLU 46 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2cqw h GLU 46 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2cqw h GLU 46 CO 0.61 0.21 0.00 -0.40 -1.00 0.00 0.00 179.01 178.43 2cqw n ASP 47 N -3.30 3.28 -0.03 1.42 5.68 -1.26 -4.59 116.55 117.74 2cqw n ASP 47 Ca 0.01 -2.55 -0.13 0.00 -0.50 0.00 0.00 54.79 51.62 2cqw n ASP 47 Cb 0.46 -0.38 -0.08 0.00 -1.14 0.00 0.00 41.12 39.99 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 1.64 0.21 -0.09 2.11 3.57 -1.84 -1.10 116.94 121.44 2cqw h PHE 48 Ca 0.00 -0.06 -0.21 0.00 3.53 0.00 0.00 57.97 61.24 2cqw h PHE 48 Cb 1.07 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2cqw h PHE 48 CO 0.32 0.58 -0.79 -0.07 -2.23 0.00 0.00 178.31 176.13 2cqw h LEU 49 N -0.22 0.68 -1.01 0.59 3.38 -1.76 1.61 115.31 118.59 2cqw h LEU 49 Ca 0.02 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2cqw h LEU 49 Cb 0.53 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2cqw h LEU 49 CO 0.02 1.23 0.66 0.44 0.09 0.00 0.00 178.44 180.88 2cqw h ASP 50 N 0.38 1.11 0.52 -0.43 5.19 -1.80 0.65 116.42 122.03 2cqw h ASP 50 Ca -0.05 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.17 2cqw h ASP 50 Cb 1.39 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 2cqw h ASP 50 CO 0.15 0.76 -1.62 -1.22 -3.12 0.00 0.00 179.24 174.19 2cqw n TYR 51 N -4.43 0.73 -3.17 4.55 4.02 -0.42 -4.42 117.16 114.02 2cqw n TYR 51 Ca 0.14 0.24 -0.25 0.00 -0.01 0.00 0.00 57.90 58.01 2cqw n TYR 51 Cb 0.09 -1.01 -0.06 0.00 -0.02 0.00 0.00 39.34 38.34 2cqw n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cqw n LEU 53 N 0.38 6.61 -1.00 0.00 0.00 0.22 -4.05 117.00 119.17 2cqw n LEU 53 Ca 0.29 -3.54 -0.03 0.00 0.00 0.00 0.00 56.01 52.73 2cqw n LEU 53 Cb 0.45 -0.83 -0.02 0.00 0.00 0.00 0.00 43.42 43.02 2cqw n LEU 53 CO 0.33 1.04 0.24 -0.62 0.00 0.00 0.00 177.39 178.38 2cqw n GLU 54 N -1.05 0.12 -0.04 1.96 -0.58 -1.26 -4.95 120.64 114.84 2cqw n GLU 54 Ca 0.57 -0.57 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2cqw n GLU 54 Cb 1.57 0.46 -0.07 0.00 -0.57 0.00 0.00 31.44 32.82 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2cqw n ILE 55 N -0.14 0.51 -1.17 -3.67 -5.35 -1.26 -5.03 119.36 103.26 2cqw n ILE 55 Ca -0.15 -0.36 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 2cqw n ILE 55 Cb 0.53 -0.54 0.07 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.24 -0.63 -4.71 7.28 4.77 -1.26 -4.87 117.00 115.34 2cqw n LEU 56 Ca -0.12 0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 2cqw n LEU 56 Cb 0.69 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2cqw n LEU 56 CO 0.20 -3.72 0.88 -2.16 -1.33 0.00 0.00 177.39 171.26 2cqw s PRO 57 N -2.59 4.43 -0.39 3.23 0.04 -1.26 -5.01 135.00 133.46 2cqw s PRO 57 Ca 0.60 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 2cqw s PRO 57 Cb -0.33 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 30.88 2cqw s PRO 57 CO 0.63 -0.28 0.20 -1.54 0.04 0.00 0.00 177.00 176.06 2cqw s SER 58 N 1.15 5.50 -0.11 6.66 1.04 -1.26 -5.07 113.70 121.61 2cqw s SER 58 Ca 0.58 -1.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 2cqw s SER 58 Cb -0.28 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2cqw s SER 58 CO 0.28 -0.46 0.02 -0.55 0.98 0.00 0.00 173.24 173.51 2cqw s SER 59 N 1.83 5.41 -0.41 7.02 0.15 -1.26 -5.06 113.70 121.37 2cqw s SER 59 Ca 0.02 0.16 0.07 0.00 0.70 0.00 0.00 55.95 56.90 2cqw s SER 59 Cb -0.22 -1.63 0.17 0.00 -1.71 0.00 0.00 66.02 62.64 2cqw s SER 59 CO 0.02 0.34 0.57 -0.83 1.20 0.00 0.00 173.24 174.55 2cqw s GLY 60 N -0.67 -0.90 -0.31 9.45 0.00 -1.26 -5.09 107.32 108.54 2cqw s GLY 60 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2cqw s GLY 60 CO 0.02 3.40 0.44 -0.56 0.00 0.00 0.00 173.10 176.41 2cqw s SER 61 N 1.60 0.09 -0.31 1.64 0.01 -1.26 -5.02 113.70 110.45 2cqw s SER 61 Ca 0.18 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 2cqw s SER 61 Cb -0.06 1.22 0.01 0.00 0.21 0.00 0.00 66.02 67.39 2cqw s SER 61 CO -0.06 -0.32 0.13 0.80 0.41 0.00 0.00 173.24 174.20 2cqw n MET 62 N 5.16 -3.01 -0.03 12.44 1.56 -1.26 -4.97 117.12 127.01 2cqw n MET 62 Ca 0.03 2.49 -0.09 0.00 -0.27 0.00 0.00 57.70 59.86 2cqw n MET 62 Cb 0.50 -5.03 -0.07 0.00 2.15 0.00 0.00 33.22 30.77 2cqw n MET 62 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 2cqw h MET 63 N 2.89 -0.06 0.00 2.12 2.86 -1.95 -3.48 114.93 117.30 2cqw h MET 63 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2cqw h MET 63 Cb 0.30 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2cqw h MET 63 CO 0.11 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.95 2cqw n GLY 64 N 1.36 3.37 2.65 8.32 0.00 -1.26 -5.04 105.19 114.59 2cqw n GLY 64 Ca -0.06 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 2cqw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqw n GLY 65 N 5.00 4.97 2.88 -0.02 0.00 -1.26 -4.98 105.19 111.78 2cqw n GLY 65 Ca 0.00 -2.74 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 2cqw n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqw s LYS 66 N -2.61 1.31 0.17 1.61 2.20 -1.26 -5.10 119.74 116.05 2cqw s LYS 66 Ca 0.36 -0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 54.89 2cqw s LYS 66 Cb 0.11 -2.47 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2cqw s LYS 66 CO 0.04 -0.69 0.31 0.34 -0.36 0.00 0.00 175.35 174.99 2cqw s ASP 67 N 1.46 0.00 0.34 1.43 2.15 -1.26 -4.98 116.67 115.82 2cqw s ASP 67 Ca -0.01 -0.82 0.09 0.00 0.43 0.00 0.00 52.55 52.23 2cqw s ASP 67 Cb -0.18 0.45 -0.06 0.00 -0.30 0.00 0.00 42.92 42.83 2cqw s ASP 67 CO -0.09 -0.91 -0.00 0.72 -0.17 0.00 0.00 175.17 174.71 2cqw s PHE 68 N -3.96 2.52 0.10 -5.34 -0.71 -1.26 -5.15 117.98 104.19 2cqw s PHE 68 Ca 0.16 -0.45 0.09 0.00 -1.04 0.00 0.00 56.93 55.69 2cqw s PHE 68 Cb 0.03 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 2cqw s PHE 68 CO -0.00 0.49 -0.20 0.54 -1.34 0.00 0.00 175.22 174.71 2cqw s VAL 69 N -2.54 2.71 0.18 -2.49 0.11 -1.26 -5.13 120.40 111.98 2cqw s VAL 69 Ca 0.34 -1.47 -0.18 0.00 -2.93 0.00 0.00 61.98 57.75 2cqw s VAL 69 Cb 0.01 -2.21 0.04 0.00 -1.53 0.00 0.00 36.38 32.68 2cqw s VAL 69 CO 0.19 0.16 0.52 0.54 -3.33 0.00 0.00 175.10 173.18 2cqw s VAL 70 N -1.07 0.03 0.26 2.04 0.11 -1.26 -5.18 120.40 115.33 2cqw s VAL 70 Ca 0.16 -0.61 -0.21 0.00 -2.93 0.00 0.00 61.98 58.39 2cqw s VAL 70 Cb -0.10 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2cqw s VAL 70 CO 0.08 -0.13 0.69 0.00 -3.33 0.00 0.00 175.10 172.41 2cqw s GLN 71 N -3.84 1.72 0.05 1.54 -2.07 -1.26 -5.18 119.66 110.61 2cqw s GLN 71 Ca 0.07 -0.94 -0.08 0.00 -1.82 0.00 0.00 55.36 52.58 2cqw s GLN 71 Cb -0.01 0.60 -0.00 0.00 -1.09 0.00 0.00 33.01 32.51 2cqw s GLN 71 CO -0.06 -0.78 0.17 -1.01 -1.32 0.00 0.00 175.29 172.29 2cqw s HIS 72 N -3.91 0.10 0.72 9.60 3.76 -1.26 -5.17 115.29 119.14 2cqw s HIS 72 Ca 0.10 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.61 2cqw s HIS 72 Cb -0.05 -0.06 0.11 0.00 1.11 0.00 0.00 32.58 33.69 2cqw s HIS 72 CO 0.05 -0.43 1.00 -0.51 -0.85 0.00 0.00 174.74 174.00 2cqw s LEU 73 N -2.20 2.96 -0.00 0.89 1.02 -1.26 -5.11 118.68 114.98 2cqw s LEU 73 Ca -0.04 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.74 2cqw s LEU 73 Cb -0.00 -2.37 0.11 0.00 0.02 0.00 0.00 46.19 43.95 2cqw s LEU 73 CO -0.05 -1.81 1.22 -0.54 0.02 0.00 0.00 176.35 175.19 2cqw s LYS 74 N -5.19 0.53 0.24 1.70 -0.14 -1.26 -5.18 119.74 110.44 2cqw s LYS 74 Ca 0.65 -0.29 0.09 0.00 -1.36 0.00 0.00 55.97 55.06 2cqw s LYS 74 Cb -0.07 0.19 -0.05 0.00 -1.68 0.00 0.00 37.83 36.22 2cqw s LYS 74 CO 0.44 -0.24 -0.15 1.67 -0.76 0.00 0.00 175.35 176.31 2cqw s TRP 75 N -2.58 1.92 0.06 3.18 1.48 -1.26 -5.15 118.94 116.59 2cqw s TRP 75 Ca 0.13 -0.51 -0.27 0.00 -1.06 0.00 0.00 56.10 54.39 2cqw s TRP 75 Cb 0.03 -0.89 0.09 0.00 -1.16 0.00 0.00 33.47 31.54 2cqw s TRP 75 CO -0.03 0.47 0.98 -0.08 -4.06 0.00 0.00 176.95 174.23 2cqw s THR 76 N -2.82 0.00 -0.30 0.66 -1.32 -1.26 -5.14 115.64 105.46 2cqw s THR 76 Ca 0.26 -0.34 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 2cqw s THR 76 Cb -0.02 -1.58 0.10 0.00 -1.51 0.00 0.00 72.50 69.49 2cqw s THR 76 CO 0.10 0.00 0.12 1.51 -2.21 0.00 0.00 174.62 174.14 2cqw s ASP 77 N -2.74 3.76 1.10 8.08 -4.77 -1.26 -5.14 116.67 115.71 2cqw s ASP 77 Ca 0.10 -1.46 -0.18 0.00 -3.30 0.00 0.00 52.55 47.71 2cqw s ASP 77 Cb -0.01 -0.59 0.25 0.00 -1.09 0.00 0.00 42.92 41.49 2cqw s ASP 77 CO -0.03 -0.43 1.23 -2.16 0.70 0.00 0.00 175.17 174.48 2cqw s PRO 78 N 1.87 -0.44 0.25 2.11 0.04 -1.26 -5.10 135.00 132.47 2cqw s PRO 78 Ca 0.09 -0.30 -0.07 0.00 0.04 0.00 0.00 61.00 60.76 2cqw s PRO 78 Cb -0.17 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2cqw s PRO 78 CO -0.31 -3.15 0.37 0.45 0.04 0.00 0.00 177.00 174.40 2cqw s SER 79 N -4.44 0.20 -0.36 6.66 0.15 -1.26 -5.14 113.70 109.52 2cqw s SER 79 Ca 0.73 -1.18 0.04 0.00 0.70 0.00 0.00 55.95 56.24 2cqw s SER 79 Cb -0.06 0.54 0.16 0.00 -1.71 0.00 0.00 66.02 64.96 2cqw s SER 79 CO 0.55 -1.08 0.46 -0.83 1.20 0.00 0.00 173.24 173.53 2cqw s GLY 80 N -3.11 -0.53 1.11 9.45 0.00 -1.26 -5.16 107.32 107.83 2cqw s GLY 80 Ca 0.29 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 2cqw s GLY 80 CO 0.12 3.09 1.23 2.56 0.00 0.00 0.00 173.10 180.10 2cqw s PRO 81 N 1.89 -0.49 0.35 2.90 0.04 -1.26 -5.10 135.00 133.32 2cqw s PRO 81 Ca 0.14 -0.32 0.04 0.00 0.04 0.00 0.00 61.00 60.90 2cqw s PRO 81 Cb -0.11 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2cqw s PRO 81 CO -0.13 -3.18 0.14 -1.54 0.04 0.00 0.00 177.00 172.33 2cqw s SER 82 N -4.46 2.14 0.25 6.66 1.04 -1.26 -5.17 113.70 112.89 2cqw s SER 82 Ca 0.74 -1.58 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 2cqw s SER 82 Cb -0.05 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2cqw s SER 82 CO 0.55 -0.87 0.74 -0.44 0.98 0.00 0.00 173.24 174.20 2cqw s SER 83 N -3.48 -0.29 0.00 7.02 0.01 -1.26 -5.37 113.70 110.34 2cqw s SER 83 Ca 0.31 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2cqw s SER 83 Cb 0.05 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2cqw s SER 83 CO 0.16 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.18