#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bod s LYS 1 N 0.00 3.66 0.16 0.03 1.02 -1.26 -4.79 119.74 118.56 1bod s LYS 1 Ca 0.00 -1.42 -0.18 0.00 0.02 0.00 0.00 55.97 54.39 1bod s LYS 1 Cb 0.00 -5.27 0.04 0.00 -0.52 0.00 0.00 37.83 32.08 1bod s LYS 1 CO 0.00 -2.10 0.49 -1.54 -0.92 0.00 0.00 175.35 171.28 1bod s SER 2 N 4.51 -0.31 0.00 2.83 1.04 -1.26 -5.01 113.70 115.50 1bod s SER 2 Ca 0.44 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.61 1bod s SER 2 Cb -0.01 0.54 0.28 0.00 0.10 0.00 0.00 66.02 66.93 1bod s SER 2 CO -0.07 -0.95 1.13 -0.81 0.98 0.00 0.00 173.24 173.52 1bod n PRO 3 N -0.30 0.03 0.00 4.02 -0.05 -1.26 -1.63 135.00 135.82 1bod n PRO 3 Ca -0.14 0.33 0.15 0.00 -0.05 0.00 0.00 63.50 63.79 1bod n PRO 3 Cb 0.63 -1.50 0.70 0.00 -0.05 0.00 0.00 33.50 33.28 1bod n PRO 3 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1bod n GLU 4 N -1.42 0.45 0.00 0.54 0.28 -1.26 -3.47 120.64 115.77 1bod n GLU 4 Ca 0.02 -0.06 0.03 0.00 -0.16 0.00 0.00 57.16 56.99 1bod n GLU 4 Cb 0.06 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.58 1bod n GLU 4 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bod n GLU 5 N -1.22 0.03 0.11 3.44 2.13 -0.64 -1.69 120.64 122.78 1bod n GLU 5 Ca 0.14 0.34 -0.01 0.00 0.66 0.00 0.00 57.16 58.28 1bod n GLU 5 Cb 0.26 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.44 1bod n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1bod h LEU 6 N 0.00 0.00 -2.38 4.31 3.38 -1.82 -3.18 115.31 115.62 1bod h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bod h LEU 6 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1bod h LEU 6 CO 0.00 0.68 0.02 0.50 0.09 0.00 0.00 178.44 179.72 1bod h LYS 7 N 0.00 0.00 -0.00 1.13 3.11 -1.60 -2.87 116.57 116.33 1bod h LYS 7 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1bod h LYS 7 Cb 1.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.76 1bod h LYS 7 CO 0.09 0.00 -0.48 0.41 -2.81 0.00 0.00 179.45 176.66 1bod n GLY 8 N -1.36 -0.18 0.00 5.01 0.00 -1.21 -4.35 105.19 103.10 1bod n GLY 8 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1bod n GLY 8 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bod n ILE 9 N -0.79 0.00 -0.22 -0.61 0.13 -1.08 -1.97 119.36 114.82 1bod n ILE 9 Ca 0.04 0.55 -0.08 0.00 -1.10 0.00 0.00 62.75 62.16 1bod n ILE 9 Cb 0.25 -1.11 -0.07 0.00 -0.84 0.00 0.00 39.64 37.88 1bod n ILE 9 CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1bod h PHE 10 N 0.00 -1.23 -0.95 9.51 3.04 -1.86 0.34 116.94 125.79 1bod h PHE 10 Ca 0.00 0.08 0.34 0.00 3.98 0.00 0.00 57.97 62.36 1bod h PHE 10 Cb 0.00 0.61 -0.17 0.00 2.56 0.00 0.00 35.95 38.94 1bod h PHE 10 CO 0.00 -0.28 0.29 -1.91 -2.02 0.00 0.00 178.31 174.40 1bod n GLU 11 N -4.50 -0.07 -0.05 1.11 2.13 -1.26 0.10 120.64 118.11 1bod n GLU 11 Ca 0.00 1.36 -0.12 0.00 0.66 0.00 0.00 57.16 59.06 1bod n GLU 11 Cb 0.19 -2.32 -0.06 0.00 0.27 0.00 0.00 31.44 29.52 1bod n GLU 11 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1bod h LYS 12 N 0.00 0.25 0.00 5.31 5.09 0.32 -2.13 116.57 125.41 1bod h LYS 12 Ca 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 61.36 1bod h LYS 12 Cb 1.71 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 34.02 1bod h LYS 12 CO -0.81 0.50 0.00 1.88 -2.09 0.00 0.00 179.45 178.94 1bod h TYR 13 N -0.02 0.00 -0.84 0.07 -1.99 0.14 -2.18 116.97 112.14 1bod h TYR 13 Ca 0.04 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 60.04 1bod h TYR 13 Cb 0.39 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.04 1bod h TYR 13 CO 0.04 0.00 2.77 -3.47 -0.00 0.00 0.00 178.16 177.50 1bod n ASP 15 N -2.96 7.74 -4.37 3.88 2.03 0.10 -4.86 116.55 118.12 1bod n ASP 15 Ca -0.02 -2.98 -0.39 0.00 0.52 0.00 0.00 54.79 51.91 1bod n ASP 15 Cb 0.09 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.03 1bod n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bod n LYS 16 N 2.60 2.62 0.00 -0.67 5.02 -0.82 -3.50 118.16 123.41 1bod n LYS 16 Ca 0.64 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1bod n LYS 16 Cb 0.26 -3.48 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 1bod n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bod n GLU 17 N 7.91 0.00 -2.63 1.97 0.00 -1.26 -5.00 120.64 121.62 1bod n GLU 17 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.59 1bod n GLU 17 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.91 1bod n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bod n GLY 18 N 0.00 0.41 1.32 8.31 0.00 -1.23 -4.90 105.19 109.10 1bod n GLY 18 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 1bod n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bod n ASP 19 N -0.51 -0.79 0.00 1.61 2.03 -1.26 -5.03 116.55 112.60 1bod n ASP 19 Ca -0.03 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.75 1bod n ASP 19 Cb 0.53 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1bod n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bod n GLY 20 N -0.35 -0.35 0.00 0.27 0.00 -1.26 -5.16 105.19 98.35 1bod n GLY 20 Ca -0.17 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1bod n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bod n GLN 22 N 0.00 2.28 -3.62 1.61 6.02 -1.26 -4.88 117.38 117.54 1bod n GLN 22 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bod n GLN 22 Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 1bod n GLN 22 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bod s LEU 23 N 0.00 4.53 0.66 1.08 1.43 -0.96 -4.88 118.68 120.54 1bod s LEU 23 Ca 0.00 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1bod s LEU 23 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1bod s LEU 23 CO 0.00 -0.33 1.04 -0.94 0.23 0.00 0.00 176.35 176.36 1bod s SER 24 N 1.57 5.83 0.33 2.29 1.04 -1.26 -3.18 113.70 120.31 1bod s SER 24 Ca 0.03 1.51 0.16 0.00 0.48 0.00 0.00 55.95 58.12 1bod s SER 24 Cb -0.19 -2.47 0.87 0.00 0.10 0.00 0.00 66.02 64.33 1bod s SER 24 CO 0.06 -1.14 1.42 0.29 0.98 0.00 0.00 173.24 174.85 1bod n LYS 25 N -2.93 0.11 -0.38 4.02 4.01 -1.26 -0.31 118.16 121.42 1bod n LYS 25 Ca 0.07 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.46 1bod n LYS 25 Cb 0.54 -2.06 0.14 0.00 -0.51 0.00 0.00 35.03 33.14 1bod n LYS 25 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1bod h GLU 26 N 0.00 1.25 0.00 1.97 4.81 -2.00 -1.68 114.58 118.93 1bod h GLU 26 Ca 0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1bod h GLU 26 Cb 0.41 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1bod h GLU 26 CO 0.00 0.83 -1.12 0.93 -0.73 0.00 0.00 179.01 178.92 1bod h GLU 27 N 1.29 0.00 0.00 1.92 5.08 -0.98 -3.38 114.58 118.51 1bod h GLU 27 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1bod h GLU 27 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1bod h GLU 27 CO -0.12 0.12 -0.05 1.25 -1.00 0.00 0.00 179.01 179.21 1bod h LEU 28 N 0.00 0.00 -1.44 1.33 6.46 -1.08 -2.98 115.31 117.60 1bod h LEU 28 Ca -0.06 0.00 0.37 0.00 -0.12 0.00 0.00 57.88 58.07 1bod h LEU 28 Cb 1.23 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 1bod h LEU 28 CO 0.02 0.32 1.22 0.50 -0.62 0.00 0.00 178.44 179.88 1bod h LYS 29 N -0.59 0.00 0.01 1.25 3.64 -1.55 -0.25 116.57 119.06 1bod h LYS 29 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bod h LYS 29 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1bod h LYS 29 CO 0.00 0.00 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.11 1bod h LEU 30 N 0.00 -0.01 -1.20 5.20 3.38 -1.73 -2.70 115.31 118.25 1bod h LEU 30 Ca 0.61 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.76 1bod h LEU 30 Cb 3.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 43.76 1bod h LEU 30 CO -0.01 0.20 0.92 0.25 0.09 0.00 0.00 178.44 179.90 1bod h LEU 31 N -0.43 0.00 0.02 1.67 6.46 -0.95 0.18 115.31 122.27 1bod h LEU 31 Ca -0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1bod h LEU 31 Cb 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1bod h LEU 31 CO 0.00 0.00 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.59 1bod h LEU 32 N 0.00 0.07 -1.49 2.25 -0.00 -1.18 -3.15 115.31 111.82 1bod h LEU 32 Ca 0.30 -0.98 -0.03 0.00 -0.00 0.00 0.00 57.88 57.16 1bod h LEU 32 Cb 2.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.76 1bod h LEU 32 CO -0.00 1.08 -0.03 0.06 -0.00 0.00 0.00 178.44 179.55 1bod h GLN 33 N -0.90 0.30 0.00 1.13 3.07 -0.31 -2.42 115.11 115.99 1bod h GLN 33 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1bod h GLN 33 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.62 1bod h GLN 33 CO 0.02 0.35 0.00 -2.37 0.09 0.00 0.00 178.83 176.92 1bod n THR 34 N -4.34 0.00 0.68 1.86 5.66 -1.00 -4.31 114.28 112.83 1bod n THR 34 Ca -0.00 0.11 0.05 0.00 -3.05 0.00 0.00 64.05 61.16 1bod n THR 34 Cb 0.21 -0.92 0.28 0.00 -1.55 0.00 0.00 70.33 68.35 1bod n THR 34 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1bod n GLU 35 N -1.50 0.34 -3.03 1.09 4.71 -1.19 -3.77 120.64 117.28 1bod n GLU 35 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.97 1bod n GLU 35 Cb 0.00 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 28.96 1bod n GLU 35 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1bod n PHE 36 N -0.94 -1.53 0.16 -0.32 3.72 -0.91 -4.99 117.46 112.64 1bod n PHE 36 Ca 0.07 -2.86 -0.07 0.00 -0.05 0.00 0.00 57.45 54.54 1bod n PHE 36 Cb 0.03 0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1bod n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bod h PRO 37 N 4.10 -0.45 -1.56 -1.08 0.13 -1.64 -3.23 132.00 128.27 1bod h PRO 37 Ca 0.00 0.03 0.50 0.00 -0.87 0.00 0.00 66.00 65.66 1bod h PRO 37 Cb 0.94 0.10 -0.11 0.00 0.13 0.00 0.00 31.00 32.06 1bod h PRO 37 CO 0.40 -0.30 1.06 0.43 -0.23 0.00 0.00 178.00 179.36 1bod n SER 38 N -4.65 0.12 0.43 1.44 7.64 -1.26 0.21 113.62 117.56 1bod n SER 38 Ca -0.06 1.18 -0.19 0.00 1.01 0.00 0.00 58.87 60.81 1bod n SER 38 Cb 0.18 -0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 1bod n SER 38 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bod h LEU 39 N 0.00 -0.92 -3.61 -3.43 3.38 -1.89 -2.70 115.31 106.14 1bod h LEU 39 Ca 0.87 0.03 -0.43 0.00 0.09 0.00 0.00 57.88 58.43 1bod h LEU 39 Cb 3.09 0.24 -0.24 0.00 0.09 0.00 0.00 40.66 43.84 1bod h LEU 39 CO -0.27 -0.65 0.55 0.18 0.09 0.00 0.00 178.44 178.35 1bod n LEU 40 N -5.55 6.23 -2.36 1.67 4.32 0.13 -4.10 117.00 117.34 1bod n LEU 40 Ca -0.15 -3.32 -0.32 0.00 -0.02 0.00 0.00 56.01 52.21 1bod n LEU 40 Cb 0.43 -0.83 0.05 0.00 -1.62 0.00 0.00 43.42 41.46 1bod n LEU 40 CO 0.39 1.04 0.96 1.17 -1.22 0.00 0.00 177.39 179.73 1bod n LYS 41 N -0.68 3.05 0.00 3.23 0.00 -0.02 -4.80 118.16 118.94 1bod n LYS 41 Ca 0.47 -3.72 0.00 0.00 0.00 0.00 0.00 58.31 55.06 1bod n LYS 41 Cb 1.22 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1bod n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bod n GLY 42 N -0.74 1.94 0.00 3.14 0.00 -1.26 -4.95 105.19 103.32 1bod n GLY 42 Ca 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1bod n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bod n MET 43 N 0.00 2.62 -2.70 1.61 2.81 -1.26 -4.98 117.12 115.23 1bod n MET 43 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1bod n MET 43 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.57 1bod n MET 43 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1bod n SER 44 N 0.00 0.55 0.18 7.83 3.41 -1.26 -4.90 113.62 119.42 1bod n SER 44 Ca 0.00 -2.52 0.11 0.00 -0.26 0.00 0.00 58.87 56.20 1bod n SER 44 Cb 0.00 -0.11 0.60 0.00 -0.26 0.00 0.00 64.21 64.44 1bod n SER 44 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1bod h THR 45 N 3.22 0.00 0.00 6.66 2.02 -1.94 -3.27 112.91 119.60 1bod h THR 45 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1bod h THR 45 Cb 1.23 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1bod h THR 45 CO 0.29 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.36 1bod n LEU 46 N -2.30 0.00 -2.89 2.58 4.32 -1.26 -1.61 117.00 115.84 1bod n LEU 46 Ca -0.01 0.28 -0.31 0.00 -0.02 0.00 0.00 56.01 55.95 1bod n LEU 46 Cb 0.11 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.86 1bod n LEU 46 CO 0.10 0.00 2.20 0.47 -1.22 0.00 0.00 177.39 178.93 1bod n ASP 47 N -0.48 7.21 0.07 -1.43 9.92 -1.23 -3.86 116.55 126.75 1bod n ASP 47 Ca 0.00 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.31 1bod n ASP 47 Cb 0.00 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.11 1bod n ASP 47 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1bod n GLU 48 N 1.92 0.00 0.30 -1.24 0.00 -0.93 -4.58 120.64 116.11 1bod n GLU 48 Ca 0.58 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.90 1bod n GLU 48 Cb 0.45 -0.03 0.92 0.00 0.00 0.00 0.00 31.44 32.79 1bod n GLU 48 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1bod h LEU 49 N 0.00 0.00 0.01 4.31 8.10 -1.42 0.51 115.31 126.82 1bod h LEU 49 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1bod h LEU 49 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1bod h LEU 49 CO 0.00 0.02 -0.01 0.15 -4.11 0.00 0.00 178.44 174.50 1bod h PHE 50 N 0.00 -0.02 0.00 0.17 3.57 -1.76 -3.27 116.94 115.63 1bod h PHE 50 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bod h PHE 50 Cb 0.07 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1bod h PHE 50 CO 0.00 -0.01 0.03 -0.85 -2.23 0.00 0.00 178.31 175.25 1bod n GLU 51 N -2.33 0.11 -0.30 1.11 0.28 -1.18 -1.45 120.64 116.88 1bod n GLU 51 Ca -0.00 0.61 -0.02 0.00 -0.16 0.00 0.00 57.16 57.58 1bod n GLU 51 Cb 0.01 -1.90 0.14 0.00 1.43 0.00 0.00 31.44 31.12 1bod n GLU 51 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1bod h GLU 52 N 0.00 1.18 0.00 3.44 4.39 -0.03 -0.68 114.58 122.88 1bod h GLU 52 Ca 0.00 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1bod h GLU 52 Cb 0.05 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1bod h GLU 52 CO 0.00 0.84 -1.61 1.28 -1.16 0.00 0.00 179.01 178.36 1bod n LEU 53 N -4.36 0.00 -0.30 1.33 7.99 -0.69 -4.29 117.00 116.69 1bod n LEU 53 Ca 0.09 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.21 1bod n LEU 53 Cb 0.07 0.02 0.56 0.00 -0.11 0.00 0.00 43.42 43.97 1bod n LEU 53 CO 0.38 0.02 0.88 -0.67 -1.51 0.00 0.00 177.39 176.49 1bod n ASP 54 N -1.98 0.92 0.00 -1.43 2.03 -0.53 -1.84 116.55 113.71 1bod n ASP 54 Ca -0.04 -1.46 0.00 0.00 0.52 0.00 0.00 54.79 53.82 1bod n ASP 54 Cb 0.38 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1bod n ASP 54 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1bod n LYS 55 N -0.22 0.00 -0.04 -0.67 -0.00 -0.27 -4.17 118.16 112.79 1bod n LYS 55 Ca 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.34 1bod n LYS 55 Cb 0.23 -0.04 -0.12 0.00 -0.00 0.00 0.00 35.03 35.10 1bod n LYS 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1bod h ASN 56 N 0.00 0.13 -0.02 -5.58 2.35 -1.88 -3.46 115.58 107.12 1bod h ASN 56 Ca 0.00 -0.84 -0.03 0.00 -0.55 0.00 0.00 56.30 54.88 1bod h ASN 56 Cb 0.00 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 38.20 1bod h ASN 56 CO 0.00 0.95 -0.02 0.61 -1.65 0.00 0.00 177.43 177.32 1bod n GLY 57 N 1.20 -1.91 2.09 2.83 0.00 -1.26 -5.01 105.19 103.13 1bod n GLY 57 Ca -0.10 1.16 -0.03 0.00 0.00 0.00 0.00 46.02 47.05 1bod n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bod n ASP 58 N 1.75 -0.88 -0.20 1.61 2.03 -0.77 -4.94 116.55 115.15 1bod n ASP 58 Ca 0.03 -2.12 0.29 0.00 0.52 0.00 0.00 54.79 53.51 1bod n ASP 58 Cb 0.70 0.39 0.53 0.00 -0.72 0.00 0.00 41.12 42.02 1bod n ASP 58 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1bod h GLY 59 N 0.84 0.00 -2.55 0.27 0.00 -1.66 -3.32 103.07 96.64 1bod h GLY 59 Ca -0.44 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.42 1bod h GLY 59 CO -0.17 0.00 0.23 -0.54 0.00 0.00 0.00 176.54 176.06 1bod s GLU 60 N -4.51 4.17 -0.35 4.80 2.02 -1.26 -4.57 118.70 119.00 1bod s GLU 60 Ca -0.03 0.95 -0.00 0.00 0.02 0.00 0.00 54.97 55.90 1bod s GLU 60 Cb 0.15 -2.37 0.12 0.00 0.10 0.00 0.00 34.13 32.14 1bod s GLU 60 CO 0.52 0.09 0.17 0.08 0.02 0.00 0.00 175.26 176.15 1bod s VAL 61 N -2.02 0.56 0.00 2.63 1.01 -1.19 -4.86 120.40 116.52 1bod s VAL 61 Ca 0.57 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1bod s VAL 61 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1bod s VAL 61 CO 0.16 -0.84 0.00 -1.54 0.00 0.00 0.00 175.10 172.88 1bod n SER 62 N 4.35 -0.21 -0.04 3.32 3.41 -1.26 -2.27 113.62 120.93 1bod n SER 62 Ca 0.04 -0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.37 1bod n SER 62 Cb 0.39 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1bod n SER 62 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1bod h PHE 63 N -0.65 -0.03 -0.24 7.33 3.57 -1.96 0.24 116.94 125.20 1bod h PHE 63 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1bod h PHE 63 Cb 0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1bod h PHE 63 CO 0.00 0.23 0.17 0.93 -2.23 0.00 0.00 178.31 177.41 1bod h GLU 64 N -1.00 0.08 0.00 1.11 5.08 -1.99 0.70 114.58 118.55 1bod h GLU 64 Ca -0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1bod h GLU 64 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1bod h GLU 64 CO 0.01 0.05 -0.57 0.93 -1.00 0.00 0.00 179.01 178.43 1bod h GLU 65 N 0.08 0.00 0.00 2.33 4.39 -1.93 -1.51 114.58 117.94 1bod h GLU 65 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1bod h GLU 65 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1bod h GLU 65 CO -0.01 0.57 0.00 0.34 -1.16 0.00 0.00 179.01 178.75 1bod n PHE 66 N -3.26 0.00 -0.14 4.33 7.35 0.22 -3.58 117.46 122.39 1bod n PHE 66 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1bod n PHE 66 Cb 0.75 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.50 1bod n PHE 66 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1bod n GLN 67 N -1.08 0.52 0.00 -4.13 1.13 -0.03 -2.31 117.38 111.47 1bod n GLN 67 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1bod n GLN 67 Cb 0.07 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1bod n GLN 67 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1bod n VAL 68 N 1.58 0.00 -0.06 5.09 3.14 -1.23 -4.71 118.33 122.14 1bod n VAL 68 Ca 0.00 -0.01 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1bod n VAL 68 Cb 0.26 0.16 -0.12 0.00 -1.06 0.00 0.00 33.84 33.08 1bod n VAL 68 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bod n LEU 69 N -0.36 0.00 -0.32 6.55 4.77 -0.98 -3.49 117.00 123.17 1bod n LEU 69 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1bod n LEU 69 Cb 0.00 0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1bod n LEU 69 CO 0.00 0.26 1.23 0.58 -1.33 0.00 0.00 177.39 178.13 1bod h VAL 70 N 0.00 1.17 0.00 4.08 2.07 -1.85 -0.59 116.25 121.13 1bod h VAL 70 Ca -0.29 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.69 1bod h VAL 70 Cb 1.59 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1bod h VAL 70 CO 0.02 0.20 -0.78 0.11 0.02 0.00 0.00 177.57 177.14 1bod h LYS 71 N 1.12 0.00 0.00 1.57 1.57 -1.84 -3.14 116.57 115.85 1bod h LYS 71 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1bod h LYS 71 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1bod h LYS 71 CO -0.10 0.66 0.00 1.17 -0.57 0.00 0.00 179.45 180.61 1bod n LYS 72 N -3.24 0.19 -0.28 3.15 3.00 -0.37 -1.86 118.16 118.75 1bod n LYS 72 Ca -0.00 0.43 0.10 0.00 -0.00 0.00 0.00 58.31 58.84 1bod n LYS 72 Cb 0.82 -1.87 0.27 0.00 0.00 0.00 0.00 35.03 34.25 1bod n LYS 72 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1bod n ILE 73 N -2.24 0.74 -0.51 3.15 5.41 -0.38 -4.53 119.36 121.01 1bod n ILE 73 Ca 0.02 -0.79 0.41 0.00 1.00 0.00 0.00 62.75 63.39 1bod n ILE 73 Cb 0.23 0.49 0.66 0.00 -0.71 0.00 0.00 39.64 40.31 1bod n ILE 73 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bod n SER 74 N 1.28 0.11 -0.77 4.38 7.64 -0.78 -5.10 113.62 120.38 1bod n SER 74 Ca 0.20 1.10 0.10 0.00 1.01 0.00 0.00 58.87 61.28 1bod n SER 74 Cb 0.52 -0.55 0.08 0.00 -1.01 0.00 0.00 64.21 63.26 1bod n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03