#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 5.71 0.40 1.61 0.01 -1.26 -5.13 113.70 115.04 2cqw s SER 2 Ca 0.00 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 56.98 2cqw s SER 2 Cb 0.00 -0.79 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 2cqw s SER 2 CO 0.00 -0.71 0.19 -0.44 0.41 0.00 0.00 173.24 172.70 2cqw s SER 3 N -4.32 4.54 0.16 2.44 0.01 -1.26 -5.05 113.70 110.24 2cqw s SER 3 Ca 0.53 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2cqw s SER 3 Cb -0.10 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2cqw s SER 3 CO 0.33 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2cqw n GLY 4 N -1.25 -1.46 3.61 3.44 0.00 -1.26 -5.13 105.19 103.14 2cqw n GLY 4 Ca -0.01 0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 2cqw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqw n SER 5 N -2.86 0.66 -3.62 1.61 3.41 -1.26 -5.00 113.62 106.57 2cqw n SER 5 Ca 0.00 0.80 -0.02 0.00 -0.26 0.00 0.00 58.87 59.39 2cqw n SER 5 Cb 0.00 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 62.55 2cqw n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqw s SER 6 N -1.25 -0.06 0.00 4.04 1.04 -1.26 -5.17 113.70 111.05 2cqw s SER 6 Ca 0.76 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2cqw s SER 6 Cb -0.42 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2cqw s SER 6 CO 0.47 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2cqw n GLY 7 N -0.09 -2.12 3.84 7.32 0.00 -1.26 -4.70 105.19 108.17 2cqw n GLY 7 Ca 0.02 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 2cqw n GLY 7 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2cqw n ILE 8 N 0.00 -3.90 -0.01 -0.61 3.06 -1.26 -4.88 119.36 111.76 2cqw n ILE 8 Ca 0.00 -0.37 -0.17 0.00 -2.50 0.00 0.00 62.75 59.72 2cqw n ILE 8 Cb 0.00 -3.15 -0.10 0.00 0.54 0.00 0.00 39.64 36.92 2cqw n ILE 8 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2cqw h PRO 9 N -1.30 0.43 0.00 9.51 0.13 -2.07 -3.49 132.00 135.20 2cqw h PRO 9 Ca -0.63 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.09 2cqw h PRO 9 Cb 1.37 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2cqw h PRO 9 CO 0.43 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 2cqw n GLY 10 N 0.93 2.24 3.55 1.56 0.00 -1.26 -5.05 105.19 107.17 2cqw n GLY 10 Ca -0.09 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.61 2.97 -0.14 1.61 0.04 -1.26 -4.96 135.00 132.64 2cqw s PRO 11 Ca 0.00 0.24 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 2cqw s PRO 11 Cb 0.00 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 2cqw s PRO 11 CO 0.00 -2.37 1.29 0.20 0.04 0.00 0.00 177.00 176.17 2cqw s GLY 12 N 5.71 1.67 -0.29 0.56 0.00 -1.26 -4.98 107.32 108.74 2cqw s GLY 12 Ca 0.52 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 2cqw s GLY 12 CO 0.19 2.52 0.98 -1.36 0.00 0.00 0.00 173.10 175.43 2cqw s PHE 13 N 3.42 -0.56 0.30 1.90 0.08 -1.26 -5.16 117.98 116.70 2cqw s PHE 13 Ca 0.57 1.20 -0.27 0.00 0.12 0.00 0.00 56.93 58.54 2cqw s PHE 13 Cb -0.23 0.37 -0.09 0.00 -0.57 0.00 0.00 43.02 42.49 2cqw s PHE 13 CO 0.17 -0.28 0.97 0.99 -0.10 0.00 0.00 175.22 176.97 2cqw s THR 14 N 0.96 4.03 -0.18 0.64 2.01 -1.26 -4.99 115.64 116.86 2cqw s THR 14 Ca -0.05 1.81 -0.17 0.00 0.31 0.00 0.00 61.69 63.60 2cqw s THR 14 Cb -0.04 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2cqw s THR 14 CO -0.12 0.26 -0.33 0.00 -0.69 0.00 0.00 174.62 173.74 2cqw n ALA 15 N 0.84 0.84 -3.46 7.40 0.00 -1.26 -5.04 120.51 119.83 2cqw n ALA 15 Ca 0.01 -0.78 -0.20 0.00 0.00 0.00 0.00 53.44 52.46 2cqw n ALA 15 Cb 0.49 0.03 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 1.47 -1.12 2.04 0.00 0.00 -1.26 -4.90 105.19 101.41 2cqw n GLY 16 Ca -0.15 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2cqw n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw n ALA 17 N -3.29 2.49 -0.58 4.61 0.00 -1.26 -5.12 120.51 117.36 2cqw n ALA 17 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 2cqw n ALA 17 Cb 0.59 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.19 2cqw n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqw n GLN 18 N -3.44 -2.99 0.00 0.00 10.64 -1.26 -4.87 117.38 115.46 2cqw n GLN 18 Ca 0.00 -0.75 0.00 0.00 -1.83 0.00 0.00 57.00 54.42 2cqw n GLN 18 Cb 0.00 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 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 -2.77 0.79 3.25 2.61 0.00 -1.26 -4.93 105.19 102.87 2cqw n GLY 19 Ca 0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.57 2.20 -0.33 1.61 0.01 -1.26 -4.80 113.70 109.56 2cqw s SER 20 Ca 0.00 -0.70 0.12 0.00 1.31 0.00 0.00 55.95 56.68 2cqw s SER 20 Cb 0.00 -0.10 0.46 0.00 0.21 0.00 0.00 66.02 66.59 2cqw s SER 20 CO 0.00 -0.02 1.11 0.00 0.41 0.00 0.00 173.24 174.73 2cqw n SER 22 N -0.50 0.00 -1.12 0.00 2.88 -1.26 -3.58 113.62 110.04 2cqw n SER 22 Ca 0.28 -0.53 -0.03 0.00 -1.33 0.00 0.00 58.87 57.26 2cqw n SER 22 Cb 0.82 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 64.18 2cqw n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cqw n LEU 23 N -1.09 -0.62 0.00 2.46 -0.00 -1.26 -5.07 117.00 111.42 2cqw n LEU 23 Ca 0.16 -1.38 0.00 0.00 -0.00 0.00 0.00 56.01 54.79 2cqw n LEU 23 Cb 0.12 0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2cqw n LEU 23 CO 0.15 1.14 0.00 0.54 -0.00 0.00 0.00 177.39 179.22 2cqw n ARG 24 N -0.22 0.00 -3.61 1.47 5.12 -1.23 -4.98 116.66 113.21 2cqw n ARG 24 Ca -0.14 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.54 2cqw n ARG 24 Cb 0.55 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.93 2cqw n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cqw n GLY 26 N -1.97 -1.68 3.44 0.00 0.00 -0.86 -4.94 105.19 99.18 2cqw n GLY 26 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.56 -0.10 4.61 0.00 -1.25 -4.91 121.76 118.55 2cqw s ALA 27 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2cqw s ALA 27 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2cqw s ALA 27 CO 0.00 -0.58 -0.15 -0.65 0.00 0.00 0.00 175.76 174.39 2cqw s GLN 28 N -2.64 2.09 0.42 0.00 -1.52 -1.26 0.62 119.66 117.37 2cqw s GLN 28 Ca -0.04 -0.52 0.03 0.00 -1.95 0.00 0.00 55.36 52.88 2cqw s GLN 28 Cb -0.01 -1.77 -0.02 0.00 -0.22 0.00 0.00 33.01 31.00 2cqw s GLN 28 CO -0.03 -0.03 0.11 -0.51 -0.25 0.00 0.00 175.29 174.58 2cqw s ASP 29 N 0.90 2.96 -0.17 5.90 1.11 -0.49 -4.98 116.67 121.90 2cqw s ASP 29 Ca -0.09 -1.66 -0.24 0.00 0.18 0.00 0.00 52.55 50.73 2cqw s ASP 29 Cb -0.15 0.49 -0.22 0.00 1.07 0.00 0.00 42.92 44.11 2cqw s ASP 29 CO 0.00 -0.91 0.49 1.23 1.18 0.00 0.00 175.17 177.16 2cqw h GLY 30 N 1.74 0.00 0.99 0.21 0.00 -2.00 -3.37 103.07 100.64 2cqw h GLY 30 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2cqw h GLY 30 CO 0.59 0.00 0.31 1.41 0.00 0.00 0.00 176.54 178.85 2cqw h LEU 31 N -1.00 0.73 0.00 3.11 4.07 -1.94 -3.47 115.31 116.81 2cqw h LEU 31 Ca -0.14 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2cqw h LEU 31 Cb 1.07 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.63 2cqw h LEU 31 CO -0.09 0.63 0.00 0.00 -1.08 0.00 0.00 178.44 177.90 2cqw s SER 33 N 0.90 -0.56 -0.05 0.00 0.15 0.49 -1.39 113.70 113.23 2cqw s SER 33 Ca 0.00 1.07 0.20 0.00 0.70 0.00 0.00 55.95 57.92 2cqw s SER 33 Cb 0.00 1.10 0.65 0.00 -1.71 0.00 0.00 66.02 66.06 2cqw s SER 33 CO 0.00 -0.18 1.55 0.00 1.20 0.00 0.00 173.24 175.81 2cqw s HIS 35 N -1.38 3.40 -0.17 0.00 5.04 -0.07 -2.04 115.29 120.07 2cqw s HIS 35 Ca 0.48 1.32 0.28 0.00 -1.54 0.00 0.00 55.06 55.60 2cqw s HIS 35 Cb 0.28 -2.64 0.87 0.00 0.04 0.00 0.00 32.58 31.12 2cqw s HIS 35 CO 0.28 -0.12 1.80 -1.00 -2.34 0.00 0.00 174.74 173.37 2cqw h PRO 36 N 1.59 0.00 -0.00 2.88 0.13 -1.92 -2.62 132.00 132.05 2cqw h PRO 36 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.63 0.00 -0.04 0.25 -0.23 0.00 0.00 178.00 178.61 2cqw n THR 37 N -3.07 0.00 0.27 1.56 -2.24 -1.26 -3.33 114.28 106.20 2cqw n THR 37 Ca 0.02 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 2cqw n THR 37 Cb 0.41 -0.21 0.57 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.83 0.76 0.00 4.64 -1.79 1.47 113.55 119.46 2cqw h SER 39 Ca 0.00 -0.50 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 2cqw h SER 39 Cb 0.17 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2cqw h SER 39 CO 0.00 1.16 -0.81 1.23 -0.87 0.00 0.00 176.83 177.54 2cqw h GLY 40 N 0.51 0.04 0.00 -0.77 0.00 -1.52 -3.33 103.07 97.99 2cqw h GLY 40 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2cqw h GLY 40 CO 0.09 0.06 -0.29 1.41 0.00 0.00 0.00 176.54 177.81 2cqw h LEU 41 N 0.02 0.00 0.00 3.11 3.38 -1.37 -3.49 115.31 116.96 2cqw h LEU 41 Ca -0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2cqw h LEU 41 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2cqw h LEU 41 CO 0.11 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2cqw n GLY 42 N 1.65 1.32 0.33 0.83 0.00 0.50 -5.01 105.19 104.80 2cqw n GLY 42 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 1.88 -1.86 2.61 -2.24 -1.04 -5.04 114.28 108.34 2cqw n THR 43 Ca 0.00 -1.98 -0.38 0.00 -2.27 0.00 0.00 64.05 59.42 2cqw n THR 43 Cb 0.00 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.63 0.00 -0.26 0.00 4.81 -1.94 -3.12 114.58 113.44 2cqw h GLU 46 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2cqw h GLU 46 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2cqw h GLU 46 CO 0.62 0.33 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 2cqw n ASP 47 N -3.22 2.68 -0.03 1.04 5.68 -1.26 -4.56 116.55 116.87 2cqw n ASP 47 Ca 0.02 -1.99 -0.12 0.00 -0.50 0.00 0.00 54.79 52.20 2cqw n ASP 47 Cb 0.63 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.53 0.20 -0.09 2.11 3.57 -1.89 -0.77 116.94 121.60 2cqw h PHE 48 Ca 0.00 -0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.26 2cqw h PHE 48 Cb 0.67 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2cqw h PHE 48 CO 0.17 0.42 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.79 2cqw h LEU 49 N -0.08 0.70 -1.69 0.59 3.38 -1.76 1.64 115.31 118.09 2cqw h LEU 49 Ca 0.03 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2cqw h LEU 49 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2cqw h LEU 49 CO 0.00 1.25 0.26 -0.78 0.09 0.00 0.00 178.44 179.27 2cqw h ASP 50 N 0.38 0.34 0.08 -0.43 1.82 -1.78 0.33 116.42 117.16 2cqw h ASP 50 Ca -0.05 -0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.22 2cqw h ASP 50 Cb 1.41 -0.08 -0.07 0.00 0.68 0.00 0.00 39.33 41.28 2cqw h ASP 50 CO 0.15 0.24 -2.28 -1.22 -1.61 0.00 0.00 179.24 174.52 2cqw n TYR 51 N -4.48 0.17 -3.35 0.28 4.01 -0.30 -4.60 117.16 108.88 2cqw n TYR 51 Ca 0.04 0.06 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 2cqw n TYR 51 Cb 0.17 -1.03 -0.08 0.00 -0.31 0.00 0.00 39.34 38.09 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 0.99 3.03 -2.75 0.00 4.77 0.11 -4.23 117.00 118.92 2cqw n LEU 53 Ca 0.28 -1.31 -0.03 0.00 -0.03 0.00 0.00 56.01 54.91 2cqw n LEU 53 Cb 0.44 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2cqw n LEU 53 CO 0.35 0.61 0.16 1.21 -1.33 0.00 0.00 177.39 178.39 2cqw n GLU 54 N 1.23 1.48 -0.04 3.23 4.07 -1.26 -4.86 120.64 124.49 2cqw n GLU 54 Ca 0.15 -2.78 -0.04 0.00 -0.06 0.00 0.00 57.16 54.42 2cqw n GLU 54 Cb 0.53 -0.93 -0.06 0.00 -0.06 0.00 0.00 31.44 30.92 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2cqw n ILE 55 N -0.70 0.56 -1.18 6.31 -5.35 -1.26 -5.03 119.36 112.70 2cqw n ILE 55 Ca 0.01 -0.33 -0.36 0.00 -0.27 0.00 0.00 62.75 61.80 2cqw n ILE 55 Cb 0.83 -0.79 0.07 0.00 -1.74 0.00 0.00 39.64 38.01 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 -2.35 0.23 -4.79 7.28 4.32 -1.26 -4.92 117.00 115.51 2cqw n LEU 56 Ca -0.14 0.54 -0.35 0.00 -0.02 0.00 0.00 56.01 56.04 2cqw n LEU 56 Cb 0.75 -1.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.33 2cqw n LEU 56 CO 0.16 -3.37 0.73 -2.16 -1.22 0.00 0.00 177.39 171.53 2cqw s PRO 57 N -2.80 3.98 -0.37 3.23 0.04 -1.26 -5.02 135.00 132.79 2cqw s PRO 57 Ca 0.63 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 2cqw s PRO 57 Cb -0.33 -2.31 0.20 0.00 0.04 0.00 0.00 34.50 32.10 2cqw s PRO 57 CO 0.61 -0.29 0.98 0.45 0.04 0.00 0.00 177.00 178.78 2cqw s SER 58 N -1.77 -0.61 0.35 6.66 0.15 -1.26 -5.17 113.70 112.05 2cqw s SER 58 Ca 0.63 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.75 2cqw s SER 58 Cb -0.19 0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 64.85 2cqw s SER 58 CO 0.24 -0.04 0.04 -0.44 1.20 0.00 0.00 173.24 174.24 2cqw s SER 59 N 1.30 2.82 0.00 5.45 0.01 -1.26 -5.11 113.70 116.92 2cqw s SER 59 Ca 0.22 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2cqw s SER 59 Cb 0.07 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2cqw s SER 59 CO -0.10 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2cqw n GLY 60 N -0.77 0.15 1.91 3.44 0.00 -1.26 -5.14 105.19 103.53 2cqw n GLY 60 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2cqw n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqw n SER 61 N -1.47 -7.71 -4.35 1.61 2.88 -1.26 -4.95 113.62 98.37 2cqw n SER 61 Ca 0.00 1.29 -0.30 0.00 -1.33 0.00 0.00 58.87 58.53 2cqw n SER 61 Cb 0.00 -4.24 0.22 0.00 -0.75 0.00 0.00 64.21 59.44 2cqw n SER 61 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2cqw n MET 62 N 1.45 -2.11 -3.52 -1.46 2.81 -1.26 -5.01 117.12 108.02 2cqw n MET 62 Ca 0.00 -0.60 -0.29 0.00 -1.81 0.00 0.00 57.70 55.00 2cqw n MET 62 Cb 0.00 -1.89 -0.13 0.00 -0.71 0.00 0.00 33.22 30.49 2cqw n MET 62 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 2cqw s MET 63 N -3.84 0.56 0.00 0.03 1.75 -1.26 -5.11 119.30 111.42 2cqw s MET 63 Ca 0.62 -1.22 0.00 0.00 -1.25 0.00 0.00 55.69 53.84 2cqw s MET 63 Cb -0.18 -1.41 0.00 0.00 2.84 0.00 0.00 34.83 36.09 2cqw s MET 63 CO 0.66 -1.15 0.00 0.41 -0.65 0.00 0.00 175.02 174.29 2cqw n GLY 64 N 4.28 -2.56 0.00 2.11 0.00 -1.26 -5.10 105.19 102.66 2cqw n GLY 64 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.88 1.76 3.67 -0.02 0.00 -1.26 -5.15 105.19 105.07 2cqw n GLY 65 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2cqw n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqw n LYS 66 N -0.49 -0.18 -0.09 1.61 4.76 -1.26 -4.98 118.16 117.53 2cqw n LYS 66 Ca 0.00 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 2cqw n LYS 66 Cb 0.00 -2.38 -0.06 0.00 -1.84 0.00 0.00 35.03 30.75 2cqw n LYS 66 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2cqw n ASP 67 N -3.70 1.86 -3.62 4.39 5.75 -1.26 -5.06 116.55 114.90 2cqw n ASP 67 Ca 0.12 0.50 -0.06 0.00 -0.01 0.00 0.00 54.79 55.35 2cqw n ASP 67 Cb 0.51 -0.88 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 2cqw n ASP 67 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2cqw s PHE 68 N -2.40 -0.19 0.20 2.11 -0.12 -1.26 -5.18 117.98 111.13 2cqw s PHE 68 Ca -0.23 0.37 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 2cqw s PHE 68 Cb 0.05 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2cqw s PHE 68 CO 0.39 -0.15 0.04 0.14 -0.05 0.00 0.00 175.22 175.59 2cqw s VAL 69 N -0.72 0.57 -0.13 -2.49 -7.23 -1.26 -5.15 120.40 103.99 2cqw s VAL 69 Ca 0.05 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 2cqw s VAL 69 Cb -0.02 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2cqw s VAL 69 CO -0.06 -0.30 0.06 -0.69 -0.31 0.00 0.00 175.10 173.80 2cqw s VAL 70 N -3.74 4.80 0.47 1.32 1.01 -1.26 -5.11 120.40 117.90 2cqw s VAL 70 Ca 0.29 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2cqw s VAL 70 Cb 0.07 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.38 2cqw s VAL 70 CO 0.07 0.56 0.65 -1.58 0.00 0.00 0.00 175.10 174.80 2cqw s GLN 71 N -0.47 2.68 0.17 2.72 -0.44 -1.26 -4.99 119.66 118.06 2cqw s GLN 71 Ca 0.10 -1.20 0.00 0.00 -2.50 0.00 0.00 55.36 51.76 2cqw s GLN 71 Cb -0.12 -2.68 0.00 0.00 -1.64 0.00 0.00 33.01 28.57 2cqw s GLN 71 CO 0.02 -0.46 0.00 1.58 0.50 0.00 0.00 175.29 176.93 2cqw n HIS 72 N -2.02 -3.03 -1.21 1.67 -0.00 -1.26 -5.14 115.22 104.24 2cqw n HIS 72 Ca 0.09 0.58 -0.37 0.00 -0.00 0.00 0.00 57.72 58.02 2cqw n HIS 72 Cb 0.59 1.71 0.05 0.00 -0.00 0.00 0.00 29.99 32.34 2cqw n HIS 72 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2cqw n LEU 73 N -2.97 -1.79 -4.83 0.27 7.94 -1.26 -4.99 117.00 109.37 2cqw n LEU 73 Ca 0.00 0.54 -0.25 0.00 -1.11 0.00 0.00 56.01 55.19 2cqw n LEU 73 Cb 0.00 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 42.89 2cqw n LEU 73 CO 0.00 -4.16 -0.06 -1.59 -1.11 0.00 0.00 177.39 170.48 2cqw s LYS 74 N -2.09 2.30 0.14 1.96 -2.85 -1.26 -5.15 119.74 112.79 2cqw s LYS 74 Ca 0.58 -1.89 -0.16 0.00 -1.00 0.00 0.00 55.97 53.51 2cqw s LYS 74 Cb -0.36 -2.07 0.03 0.00 -2.06 0.00 0.00 37.83 33.36 2cqw s LYS 74 CO 0.65 -0.33 0.41 -1.58 0.10 0.00 0.00 175.35 174.60 2cqw s TRP 75 N -2.66 -0.13 0.30 1.78 0.51 -1.26 -5.18 118.94 112.31 2cqw s TRP 75 Ca 0.37 -0.20 0.07 0.00 -2.12 0.00 0.00 56.10 54.22 2cqw s TRP 75 Cb 0.00 0.26 -0.02 0.00 -0.81 0.00 0.00 33.47 32.90 2cqw s TRP 75 CO 0.22 -0.75 0.36 -0.08 -0.51 0.00 0.00 176.95 176.19 2cqw s THR 76 N -3.83 4.25 0.03 2.01 -1.32 -1.26 -5.12 115.64 110.40 2cqw s THR 76 Ca 0.05 -1.16 0.01 0.00 -1.21 0.00 0.00 61.69 59.39 2cqw s THR 76 Cb 0.01 -3.45 -0.04 0.00 -1.51 0.00 0.00 72.50 67.52 2cqw s THR 76 CO -0.09 -0.23 0.05 -1.81 -2.21 0.00 0.00 174.62 170.33 2cqw s ASP 77 N -4.03 5.45 1.10 8.08 1.11 -1.26 -5.12 116.67 122.00 2cqw s ASP 77 Ca 0.40 0.04 -0.15 0.00 0.18 0.00 0.00 52.55 53.02 2cqw s ASP 77 Cb -0.08 -1.49 0.21 0.00 1.07 0.00 0.00 42.92 42.64 2cqw s ASP 77 CO 0.28 0.24 0.98 -0.81 1.18 0.00 0.00 175.17 177.04 2cqw n PRO 78 N 0.99 -1.87 -3.89 8.23 -0.04 -1.26 -5.06 135.00 132.10 2cqw n PRO 78 Ca -0.12 -1.53 -0.33 0.00 -0.04 0.00 0.00 63.50 61.49 2cqw n PRO 78 Cb 0.52 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 -4.40 6.38 0.60 3.54 0.15 -1.26 -5.10 113.70 113.62 2cqw s SER 79 Ca 0.59 0.35 -0.10 0.00 0.70 0.00 0.00 55.95 57.49 2cqw s SER 79 Cb -0.04 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 2cqw s SER 79 CO 0.43 0.22 0.99 -0.83 1.20 0.00 0.00 173.24 175.25 2cqw s GLY 80 N -2.14 1.62 0.88 9.45 0.00 -1.26 -5.08 107.32 110.80 2cqw s GLY 80 Ca 0.31 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.64 2cqw s GLY 80 CO 0.22 0.03 0.97 -1.55 0.00 0.00 0.00 173.10 172.77 2cqw n PRO 81 N -2.68 -1.88 -4.27 2.90 -0.04 -1.26 -5.10 135.00 122.66 2cqw n PRO 81 Ca 0.05 -1.53 -0.15 0.00 -0.04 0.00 0.00 63.50 61.84 2cqw n PRO 81 Cb 0.55 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.39 0.81 0.47 3.54 1.04 -1.26 -5.11 113.70 108.80 2cqw s SER 82 Ca 0.59 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2cqw s SER 82 Cb -0.04 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2cqw s SER 82 CO 0.43 -0.81 0.00 -0.24 0.98 0.00 0.00 173.24 173.60 2cqw n SER 83 N -0.47 -6.08 0.00 7.02 2.88 -1.26 -5.36 113.62 110.34 2cqw n SER 83 Ca 0.01 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2cqw n SER 83 Cb 0.66 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 60.36 2cqw n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42