#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 3.75 -0.30 1.61 0.01 -1.26 -5.12 113.70 112.39 2cqw s SER 2 Ca 0.00 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 56.40 2cqw s SER 2 Cb 0.00 -0.45 0.18 0.00 0.21 0.00 0.00 66.02 65.97 2cqw s SER 2 CO 0.00 0.14 1.14 -0.55 0.41 0.00 0.00 173.24 174.38 2cqw s SER 3 N -2.48 -0.29 0.00 2.44 0.15 -1.26 -5.18 113.70 107.08 2cqw s SER 3 Ca 0.20 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2cqw s SER 3 Cb -0.09 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 2cqw s SER 3 CO 0.11 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2cqw n GLY 4 N 4.18 4.56 3.46 9.45 0.00 -1.26 -5.18 105.19 120.40 2cqw n GLY 4 Ca -0.12 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 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 0.67 3.66 0.00 1.61 0.15 -1.26 -5.13 113.70 113.40 2cqw s SER 5 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2cqw s SER 5 Cb 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2cqw s SER 5 CO 0.00 0.12 0.00 -0.24 1.20 0.00 0.00 173.24 174.32 2cqw n SER 6 N 0.28 0.00 -4.70 5.45 2.88 -1.26 -5.14 113.62 111.14 2cqw n SER 6 Ca -0.13 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.00 2cqw n SER 6 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2cqw n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cqw s GLY 7 N 0.00 2.53 -0.02 0.46 0.00 -1.26 -4.96 107.32 104.06 2cqw s GLY 7 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 2cqw s GLY 7 CO 0.00 1.68 1.17 -2.22 0.00 0.00 0.00 173.10 173.73 2cqw h ILE 8 N 4.97 1.14 -3.86 0.90 1.08 -2.06 -3.44 117.51 116.24 2cqw h ILE 8 Ca -0.35 -1.05 -0.50 0.00 -0.39 0.00 0.00 64.86 62.57 2cqw h ILE 8 Cb 1.17 1.78 0.02 0.00 -3.07 0.00 0.00 36.82 36.72 2cqw h ILE 8 CO 0.80 0.25 0.44 -2.16 -0.69 0.00 0.00 178.15 176.79 2cqw s PRO 9 N -4.12 4.48 0.23 2.37 0.04 -1.26 -5.06 135.00 131.68 2cqw s PRO 9 Ca -0.15 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.65 2cqw s PRO 9 Cb 0.01 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 2cqw s PRO 9 CO 0.60 0.10 0.06 0.20 0.04 0.00 0.00 177.00 178.01 2cqw s GLY 10 N -1.15 1.61 -0.84 0.56 0.00 -1.26 -5.00 107.32 101.24 2cqw s GLY 10 Ca 0.49 -1.48 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 2cqw s GLY 10 CO 0.35 -1.52 2.59 -1.55 0.00 0.00 0.00 173.10 172.97 2cqw n PRO 11 N -0.71 2.37 -2.48 2.90 -0.04 -1.26 -4.91 135.00 130.88 2cqw n PRO 11 Ca -0.08 -1.45 -0.35 0.00 -0.04 0.00 0.00 63.50 61.58 2cqw n PRO 11 Cb 0.57 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 2cqw n PRO 11 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cqw s GLY 12 N 2.69 2.63 0.23 0.55 0.00 -1.26 -4.94 107.32 107.21 2cqw s GLY 12 Ca 0.52 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.83 2cqw s GLY 12 CO -0.03 1.07 1.62 -2.75 0.00 0.00 0.00 173.10 173.02 2cqw h PHE 13 N 1.86 -0.28 0.00 1.90 3.04 -2.05 -3.43 116.94 117.97 2cqw h PHE 13 Ca -0.49 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.52 2cqw h PHE 13 Cb 1.23 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.97 2cqw h PHE 13 CO 0.56 -0.28 0.00 2.41 -2.02 0.00 0.00 178.31 178.98 2cqw n THR 14 N -5.43 0.00 0.24 4.41 -1.04 -1.26 -5.08 114.28 106.12 2cqw n THR 14 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2cqw n THR 14 Cb 0.38 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2cqw n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cqw n ALA 15 N -3.48 0.01 0.00 2.41 0.00 -1.26 -5.17 120.51 113.02 2cqw n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2cqw n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.49 -1.74 3.12 0.00 0.00 -1.26 -4.92 105.19 98.89 2cqw n GLY 16 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.30 1.36 0.17 4.61 0.00 -1.26 -4.96 121.76 120.39 2cqw s ALA 17 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2cqw s ALA 17 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2cqw s ALA 17 CO 0.00 0.27 0.00 0.94 0.00 0.00 0.00 175.76 176.97 2cqw n GLN 18 N 3.01 0.00 -1.47 0.00 7.27 -1.26 -5.03 117.38 119.91 2cqw n GLN 18 Ca -0.17 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.58 2cqw n GLN 18 Cb 0.54 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.10 2cqw n GLN 18 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2cqw n GLY 19 N -1.27 0.98 3.23 1.69 0.00 -1.26 -4.84 105.19 103.72 2cqw n GLY 19 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 2cqw n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 20 N 6.66 2.10 -0.51 1.61 0.15 -1.26 -4.73 113.70 117.72 2cqw s SER 20 Ca 0.69 -0.68 0.07 0.00 0.70 0.00 0.00 55.95 56.72 2cqw s SER 20 Cb 0.05 -0.09 0.36 0.00 -1.71 0.00 0.00 66.02 64.62 2cqw s SER 20 CO 0.18 -0.03 0.94 0.00 1.20 0.00 0.00 173.24 175.53 2cqw h SER 22 N 2.92 -0.43 -0.00 0.00 0.87 -1.96 -3.39 113.55 111.56 2cqw h SER 22 Ca 0.14 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2cqw h SER 22 Cb 0.67 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2cqw h SER 22 CO 0.76 -0.24 -0.06 0.00 -0.53 0.00 0.00 176.83 176.76 2cqw n LEU 23 N -3.79 0.84 0.00 2.23 -0.00 -1.26 -4.86 117.00 110.16 2cqw n LEU 23 Ca -0.06 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 2cqw n LEU 23 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2cqw n LEU 23 CO 0.15 0.19 0.00 0.54 -0.00 0.00 0.00 177.39 178.27 2cqw n ARG 24 N -0.31 0.00 -3.61 1.47 1.74 -1.26 -4.87 116.66 109.82 2cqw n ARG 24 Ca 0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 2cqw n ARG 24 Cb 0.08 -0.38 0.08 0.00 -1.02 0.00 0.00 32.46 31.21 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 -2.01 -1.04 3.61 0.00 0.00 0.44 -4.87 105.19 101.33 2cqw n GLY 26 Ca 0.01 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.91 -0.09 4.61 0.00 -0.97 -4.88 121.76 119.52 2cqw s ALA 27 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2cqw s ALA 27 Cb 0.00 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2cqw s ALA 27 CO 0.00 -0.87 -0.14 -0.65 0.00 0.00 0.00 175.76 174.10 2cqw s GLN 28 N -3.91 2.06 0.37 0.00 -0.21 -1.26 0.18 119.66 116.89 2cqw s GLN 28 Ca 0.12 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 55.02 2cqw s GLN 28 Cb -0.02 -1.73 -0.05 0.00 1.00 0.00 0.00 33.01 32.21 2cqw s GLN 28 CO 0.01 -0.03 0.08 -0.51 -2.12 0.00 0.00 175.29 172.73 2cqw s ASP 29 N 0.88 2.66 -0.10 5.90 1.11 -0.15 -4.95 116.67 122.02 2cqw s ASP 29 Ca -0.09 -1.51 -0.14 0.00 0.18 0.00 0.00 52.55 50.99 2cqw s ASP 29 Cb -0.15 0.18 -0.11 0.00 1.07 0.00 0.00 42.92 43.90 2cqw s ASP 29 CO 0.01 -0.75 0.43 1.23 1.18 0.00 0.00 175.17 177.27 2cqw h GLY 30 N 1.94 -0.08 0.86 0.21 0.00 -2.00 -3.35 103.07 100.64 2cqw h GLY 30 Ca -0.39 0.03 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2cqw h GLY 30 CO 0.65 -0.03 0.18 1.41 0.00 0.00 0.00 176.54 178.75 2cqw h LEU 31 N -0.98 0.27 0.00 3.11 -0.00 -1.96 -3.46 115.31 112.28 2cqw h LEU 31 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2cqw h LEU 31 Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2cqw h LEU 31 CO 0.01 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 178.65 2cqw s SER 33 N -0.60 -0.51 -0.34 0.00 0.15 0.49 -0.98 113.70 111.91 2cqw s SER 33 Ca 0.00 0.95 0.08 0.00 0.70 0.00 0.00 55.95 57.69 2cqw s SER 33 Cb 0.00 0.97 0.63 0.00 -1.71 0.00 0.00 66.02 65.91 2cqw s SER 33 CO 0.00 -0.21 1.71 0.00 1.20 0.00 0.00 173.24 175.94 2cqw s HIS 35 N -3.16 3.06 -2.00 0.00 5.04 -0.08 0.17 115.29 118.32 2cqw s HIS 35 Ca 0.52 0.00 0.24 0.00 -1.54 0.00 0.00 55.06 54.28 2cqw s HIS 35 Cb 0.44 -1.55 1.42 0.00 0.04 0.00 0.00 32.58 32.92 2cqw s HIS 35 CO 0.08 0.50 1.79 -0.35 -2.34 0.00 0.00 174.74 174.42 2cqw n PRO 36 N 0.40 0.75 0.00 2.88 -0.04 -1.26 -2.10 135.00 135.63 2cqw n PRO 36 Ca -0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 2cqw n PRO 36 Cb 0.52 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.99 0.00 0.31 0.52 -2.24 -1.26 -3.91 114.28 106.71 2cqw n THR 37 Ca 0.18 -0.11 0.20 0.00 -2.27 0.00 0.00 64.05 62.06 2cqw n THR 37 Cb 0.08 0.74 1.01 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.89 0.51 0.00 4.64 -1.80 1.46 113.55 119.26 2cqw h SER 39 Ca -0.00 -0.35 -0.21 0.00 -0.47 0.00 0.00 61.79 60.76 2cqw h SER 39 Cb 0.20 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2cqw h SER 39 CO 0.00 1.04 -0.90 1.23 -0.87 0.00 0.00 176.83 177.33 2cqw h GLY 40 N 0.74 0.29 0.00 -0.77 0.00 -1.52 -3.37 103.07 98.42 2cqw h GLY 40 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2cqw h GLY 40 CO 0.04 0.45 -0.02 1.41 0.00 0.00 0.00 176.54 178.42 2cqw h LEU 41 N 0.14 0.00 0.00 3.11 3.38 -1.23 -3.50 115.31 117.21 2cqw h LEU 41 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 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 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2cqw n GLY 42 N 1.90 0.96 0.41 0.83 0.00 0.50 -5.04 105.19 104.75 2cqw n GLY 42 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.59 -1.99 2.61 -2.24 -1.11 -5.06 114.28 108.09 2cqw n THR 43 Ca 0.00 -2.19 -0.37 0.00 -2.27 0.00 0.00 64.05 59.22 2cqw n THR 43 Cb 0.00 -0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.10 0.00 -0.33 0.00 5.08 -1.95 -2.84 114.58 114.64 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 0.47 0.00 -0.40 -1.00 0.00 0.00 179.01 178.69 2cqw n ASP 47 N -3.54 3.75 -0.03 1.42 5.68 -1.26 -4.57 116.55 117.99 2cqw n ASP 47 Ca -0.00 -2.65 -0.13 0.00 -0.50 0.00 0.00 54.79 51.51 2cqw n ASP 47 Cb 0.58 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 40.02 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 2.16 0.22 -0.06 2.11 3.57 -1.83 -1.97 116.94 121.15 2cqw h PHE 48 Ca 0.00 -0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 2cqw h PHE 48 Cb 1.25 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2cqw h PHE 48 CO 0.46 0.58 -0.72 -0.07 -2.23 0.00 0.00 178.31 176.33 2cqw h LEU 49 N -0.20 0.36 -1.11 0.59 3.38 -1.76 1.57 115.31 118.14 2cqw h LEU 49 Ca 0.02 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2cqw h LEU 49 Cb 0.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2cqw h LEU 49 CO 0.02 0.97 0.60 -0.78 0.09 0.00 0.00 178.44 179.33 2cqw h ASP 50 N 0.21 0.99 0.18 -0.43 3.58 -1.80 0.33 116.42 119.49 2cqw h ASP 50 Ca -0.03 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2cqw h ASP 50 Cb 1.29 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2cqw h ASP 50 CO 0.12 0.68 -1.85 -1.22 -2.88 0.00 0.00 179.24 174.09 2cqw n TYR 51 N -4.44 0.19 -3.16 0.28 4.01 -0.75 -4.50 117.16 108.80 2cqw n TYR 51 Ca 0.12 0.06 -0.25 0.00 -0.16 0.00 0.00 57.90 57.67 2cqw n TYR 51 Cb 0.10 -0.62 -0.05 0.00 -0.31 0.00 0.00 39.34 38.45 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 0.39 6.24 -1.38 0.00 4.77 0.11 -4.26 117.00 122.87 2cqw n LEU 53 Ca 0.28 -3.72 -0.01 0.00 -0.03 0.00 0.00 56.01 52.54 2cqw n LEU 53 Cb 0.46 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 2cqw n LEU 53 CO 0.32 1.15 0.24 1.21 -1.33 0.00 0.00 177.39 178.97 2cqw n GLU 54 N -1.12 0.16 -0.03 3.23 2.13 -1.26 -4.98 120.64 118.77 2cqw n GLU 54 Ca 0.54 -0.19 -0.01 0.00 0.66 0.00 0.00 57.16 58.17 2cqw n GLU 54 Cb 1.46 0.19 -0.08 0.00 0.27 0.00 0.00 31.44 33.28 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2cqw n ILE 55 N -0.18 0.42 -1.15 6.31 -5.35 -1.26 -5.03 119.36 113.12 2cqw n ILE 55 Ca -0.03 -0.35 -0.36 0.00 -0.27 0.00 0.00 62.75 61.73 2cqw n ILE 55 Cb 0.49 -0.36 0.06 0.00 -1.74 0.00 0.00 39.64 38.09 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 -2.18 -1.53 0.00 7.28 4.77 -1.26 -4.96 117.00 119.12 2cqw n LEU 56 Ca -0.11 0.49 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 2cqw n LEU 56 Cb 0.62 -1.05 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 2cqw n LEU 56 CO 0.22 -4.08 0.51 -0.81 -1.33 0.00 0.00 177.39 171.90 2cqw n PRO 57 N 0.22 -1.69 0.01 3.23 -0.04 -1.26 -4.98 135.00 130.50 2cqw n PRO 57 Ca 0.07 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2cqw n PRO 57 Cb 0.51 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2cqw n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqw n SER 58 N -3.94 -0.23 -3.56 3.54 2.88 -1.26 -5.08 113.62 105.97 2cqw n SER 58 Ca 0.11 0.30 -0.35 0.00 -1.33 0.00 0.00 58.87 57.60 2cqw n SER 58 Cb 0.40 0.48 0.03 0.00 -0.75 0.00 0.00 64.21 64.37 2cqw n SER 58 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cqw n SER 59 N -2.60 -5.13 0.00 -3.46 2.88 -1.26 -4.72 113.62 99.33 2cqw n SER 59 Ca 0.00 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2cqw n SER 59 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 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 -0.62 0.13 0.69 0.46 0.00 -1.26 -4.98 105.19 99.62 2cqw n GLY 60 Ca -0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 1.27 -2.27 1.61 7.64 -1.26 -5.12 113.62 115.48 2cqw n SER 61 Ca 0.00 0.19 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 2cqw n SER 61 Cb 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.74 2cqw n SER 61 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2cqw n MET 62 N -3.77 -4.61 0.03 1.43 0.00 -1.26 -4.96 117.12 103.98 2cqw n MET 62 Ca -0.09 3.41 -0.09 0.00 0.00 0.00 0.00 57.70 60.93 2cqw n MET 62 Cb 0.30 -4.40 -0.07 0.00 0.00 0.00 0.00 33.22 29.05 2cqw n MET 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2cqw h MET 63 N 3.82 -0.17 0.00 2.12 1.85 -2.03 -3.50 114.93 117.02 2cqw h MET 63 Ca -0.10 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2cqw h MET 63 Cb 0.23 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.30 2cqw h MET 63 CO 0.00 0.24 0.00 0.41 -0.40 0.00 0.00 176.91 177.16 2cqw n GLY 64 N 0.93 -0.89 3.36 1.39 0.00 -1.26 -5.08 105.19 103.64 2cqw n GLY 64 Ca -0.07 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 3.13 4.03 -0.02 0.00 -1.26 -5.17 105.19 105.89 2cqw n GLY 65 Ca 0.00 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 2cqw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqw s LYS 66 N -3.52 2.32 0.13 1.61 1.02 -1.26 -5.14 119.74 114.91 2cqw s LYS 66 Ca 0.27 -1.55 -0.25 0.00 0.02 0.00 0.00 55.97 54.46 2cqw s LYS 66 Cb 0.01 -2.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 2cqw s LYS 66 CO 0.19 -0.84 0.77 0.34 -0.92 0.00 0.00 175.35 174.89 2cqw s ASP 67 N -4.63 -0.39 0.09 2.83 -1.08 -1.26 -5.19 116.67 107.04 2cqw s ASP 67 Ca 0.61 -0.18 -0.14 0.00 -0.52 0.00 0.00 52.55 52.32 2cqw s ASP 67 Cb -0.06 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 41.96 2cqw s ASP 67 CO 0.39 -0.93 0.32 -0.36 0.52 0.00 0.00 175.17 175.11 2cqw s PHE 68 N -3.52 -0.09 0.18 -5.34 0.40 -1.26 -5.18 117.98 103.17 2cqw s PHE 68 Ca 0.06 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2cqw s PHE 68 Cb -0.02 0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.60 2cqw s PHE 68 CO -0.06 -0.60 0.05 0.14 0.70 0.00 0.00 175.22 175.46 2cqw s VAL 69 N -3.38 0.41 0.44 -0.44 -7.23 -1.26 -5.17 120.40 103.77 2cqw s VAL 69 Ca 0.01 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2cqw s VAL 69 Cb 0.02 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2cqw s VAL 69 CO -0.09 -0.32 0.02 0.68 -0.31 0.00 0.00 175.10 175.09 2cqw s VAL 70 N -3.85 1.45 0.21 1.32 -7.23 -1.26 -5.14 120.40 105.90 2cqw s VAL 70 Ca 0.29 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 2cqw s VAL 70 Cb 0.07 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 2cqw s VAL 70 CO 0.06 0.00 0.63 -1.58 -0.31 0.00 0.00 175.10 173.91 2cqw s GLN 71 N -3.80 4.05 0.36 4.82 0.74 -1.26 -5.09 119.66 119.49 2cqw s GLN 71 Ca 0.22 0.61 0.09 0.00 0.05 0.00 0.00 55.36 56.33 2cqw s GLN 71 Cb 0.06 -2.81 -0.06 0.00 1.10 0.00 0.00 33.01 31.29 2cqw s GLN 71 CO 0.11 0.39 -0.04 -1.58 -0.55 0.00 0.00 175.29 173.62 2cqw s HIS 72 N -1.60 2.47 0.50 1.67 2.46 -1.26 -5.15 115.29 114.38 2cqw s HIS 72 Ca 0.43 -0.52 0.08 0.00 0.47 0.00 0.00 55.06 55.52 2cqw s HIS 72 Cb -0.14 -1.51 0.05 0.00 -0.13 0.00 0.00 32.58 30.84 2cqw s HIS 72 CO 0.20 0.52 0.69 -0.48 -2.47 0.00 0.00 174.74 173.20 2cqw s LEU 73 N -3.67 3.37 0.45 8.88 2.34 -1.26 -5.11 118.68 123.68 2cqw s LEU 73 Ca 0.34 -0.61 -0.05 0.00 0.06 0.00 0.00 54.13 53.87 2cqw s LEU 73 Cb 0.03 -2.16 -0.04 0.00 -0.56 0.00 0.00 46.19 43.46 2cqw s LEU 73 CO 0.18 -1.08 0.74 -1.59 -1.06 0.00 0.00 176.35 173.54 2cqw s LYS 74 N -4.53 3.56 -0.18 1.48 -2.85 -1.26 -5.10 119.74 110.86 2cqw s LYS 74 Ca 0.59 0.15 -0.26 0.00 -1.00 0.00 0.00 55.97 55.45 2cqw s LYS 74 Cb -0.08 -2.42 0.07 0.00 -2.06 0.00 0.00 37.83 33.33 2cqw s LYS 74 CO 0.36 -0.13 0.67 -0.46 0.10 0.00 0.00 175.35 175.90 2cqw s TRP 75 N -2.62 -0.71 0.21 1.78 -0.11 -1.26 -5.17 118.94 111.06 2cqw s TRP 75 Ca 0.47 1.56 -0.04 0.00 1.22 0.00 0.00 56.10 59.31 2cqw s TRP 75 Cb -0.10 0.30 -0.05 0.00 -1.50 0.00 0.00 33.47 32.12 2cqw s TRP 75 CO 0.42 -0.45 0.44 0.95 -4.62 0.00 0.00 176.95 173.69 2cqw s THR 76 N -0.22 5.12 -0.31 5.86 -4.23 -1.26 -5.08 115.64 115.53 2cqw s THR 76 Ca -0.04 -0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2cqw s THR 76 Cb -0.03 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.22 2cqw s THR 76 CO 0.04 -0.15 0.13 1.51 -0.54 0.00 0.00 174.62 175.62 2cqw s ASP 77 N -2.90 3.65 0.49 3.99 -4.77 -1.26 -5.13 116.67 110.75 2cqw s ASP 77 Ca 0.41 -1.60 -0.20 0.00 -3.30 0.00 0.00 52.55 47.87 2cqw s ASP 77 Cb -0.11 -0.58 -0.08 0.00 -1.09 0.00 0.00 42.92 41.06 2cqw s ASP 77 CO 0.27 -0.41 1.04 -2.16 0.70 0.00 0.00 175.17 174.62 2cqw s PRO 78 N 1.71 3.78 0.27 2.11 0.04 -1.26 -5.05 135.00 136.60 2cqw s PRO 78 Ca 0.11 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 2cqw s PRO 78 Cb -0.18 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2cqw s PRO 78 CO -0.26 -0.45 0.50 -1.54 0.04 0.00 0.00 177.00 175.29 2cqw s SER 79 N -2.01 6.39 0.33 6.66 1.04 -1.26 -5.10 113.70 119.75 2cqw s SER 79 Ca 0.67 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.63 2cqw s SER 79 Cb -0.16 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2cqw s SER 79 CO 0.21 -0.17 0.57 -0.83 0.98 0.00 0.00 173.24 173.99 2cqw s GLY 80 N -3.35 1.62 -1.12 7.32 0.00 -1.26 -4.99 107.32 105.54 2cqw s GLY 80 Ca 0.41 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 2cqw s GLY 80 CO 0.31 -0.61 1.77 2.56 0.00 0.00 0.00 173.10 177.13 2cqw s PRO 81 N -3.95 3.17 0.26 2.90 0.04 -1.26 -4.92 135.00 131.24 2cqw s PRO 81 Ca 0.42 -1.19 0.12 0.00 0.04 0.00 0.00 61.00 60.39 2cqw s PRO 81 Cb -0.10 -5.31 -0.05 0.00 0.04 0.00 0.00 34.50 29.08 2cqw s PRO 81 CO 0.34 -2.97 -0.18 0.45 0.04 0.00 0.00 177.00 174.67 2cqw s SER 82 N 5.86 3.68 -1.06 6.66 0.15 -1.26 -5.03 113.70 122.70 2cqw s SER 82 Ca 0.60 -0.94 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 2cqw s SER 82 Cb -0.01 -0.36 -0.10 0.00 -1.71 0.00 0.00 66.02 63.85 2cqw s SER 82 CO 0.03 0.05 1.99 -0.44 1.20 0.00 0.00 173.24 176.08 2cqw s SER 83 N -3.35 4.77 0.00 5.45 0.01 -1.26 -5.27 113.70 114.06 2cqw s SER 83 Ca 0.28 -1.17 0.19 0.00 1.31 0.00 0.00 55.95 56.56 2cqw s SER 83 Cb -0.06 -2.58 1.13 0.00 0.21 0.00 0.00 66.02 64.72 2cqw s SER 83 CO 0.15 -3.26 1.52 0.61 0.41 0.00 0.00 173.24 172.67