#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 3.72 0.00 3.17 3.01 -1.26 -5.00 119.74 123.38 1bod s LYS 1 Ca 0.00 0.90 0.00 0.00 -1.01 0.00 0.00 55.97 55.86 1bod s LYS 1 Cb 0.00 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 1bod s LYS 1 CO 0.00 -0.46 0.00 -1.13 0.51 0.00 0.00 175.35 174.27 1bod n SER 2 N -2.13 0.00 0.05 2.83 3.41 -1.26 -4.98 113.62 111.54 1bod n SER 2 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.82 1bod n SER 2 Cb 0.54 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.12 1bod n SER 2 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1bod h PRO 3 N 0.00 0.10 -1.89 4.33 0.11 -2.07 -1.37 132.00 131.22 1bod h PRO 3 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 1bod h PRO 3 Cb 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 1bod h PRO 3 CO 0.00 0.07 0.07 0.39 -0.21 0.00 0.00 178.00 178.32 1bod n GLU 4 N -4.45 1.34 0.00 1.05 4.71 -1.26 -4.40 120.64 117.64 1bod n GLU 4 Ca 0.06 -0.56 0.05 0.00 -0.01 0.00 0.00 57.16 56.71 1bod n GLU 4 Cb 0.40 -1.29 0.32 0.00 -1.01 0.00 0.00 31.44 29.86 1bod n GLU 4 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1bod n GLU 5 N 1.31 0.40 0.11 3.49 2.13 -0.52 -1.44 120.64 126.12 1bod n GLU 5 Ca 0.13 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.77 1bod n GLU 5 Cb 0.56 -1.43 -0.15 0.00 0.27 0.00 0.00 31.44 30.70 1bod n GLU 5 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 1bod h LEU 6 N 0.00 0.53 -0.35 4.31 8.10 -1.87 -3.07 115.31 122.95 1bod h LEU 6 Ca 0.00 -0.61 0.00 0.00 0.11 0.00 0.00 57.88 57.38 1bod h LEU 6 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.05 1bod h LEU 6 CO 0.00 1.48 0.00 1.17 -4.11 0.00 0.00 178.44 176.98 1bod n LYS 7 N -3.56 0.17 0.00 0.17 0.00 -0.52 -2.64 118.16 111.78 1bod n LYS 7 Ca -0.13 0.31 0.14 0.00 0.00 0.00 0.00 58.31 58.63 1bod n LYS 7 Cb 1.05 -1.77 0.57 0.00 0.00 0.00 0.00 35.03 34.88 1bod n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bod n GLY 8 N 0.48 -0.73 0.95 3.14 0.00 -1.16 -3.81 105.19 104.07 1bod n GLY 8 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1bod n GLY 8 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bod n ILE 9 N -0.72 1.11 -0.08 -0.61 -6.64 -1.09 -4.53 119.36 106.81 1bod n ILE 9 Ca 0.15 0.33 -0.04 0.00 -1.77 0.00 0.00 62.75 61.42 1bod n ILE 9 Cb 0.29 -1.64 -0.03 0.00 -1.44 0.00 0.00 39.64 36.82 1bod n ILE 9 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 1bod h PHE 10 N -0.10 -0.56 -0.99 4.28 3.04 -1.71 0.10 116.94 121.01 1bod h PHE 10 Ca -0.01 0.03 0.28 0.00 3.98 0.00 0.00 57.97 62.25 1bod h PHE 10 Cb 0.23 0.27 -0.18 0.00 2.56 0.00 0.00 35.95 38.83 1bod h PHE 10 CO -0.04 -0.14 0.04 1.49 -2.02 0.00 0.00 178.31 177.65 1bod h GLU 11 N -0.07 0.01 -0.62 1.11 4.81 -1.81 0.89 114.58 118.90 1bod h GLU 11 Ca 0.03 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1bod h GLU 11 Cb 0.16 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1bod h GLU 11 CO -0.23 0.01 0.26 1.57 -0.73 0.00 0.00 179.01 179.89 1bod h LYS 12 N 0.01 0.91 0.00 1.92 5.09 -1.10 -0.61 116.57 122.79 1bod h LYS 12 Ca 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 60.65 61.19 1bod h LYS 12 Cb 1.27 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.44 1bod h LYS 12 CO -0.92 0.76 0.00 0.66 -2.09 0.00 0.00 179.45 177.86 1bod n TYR 13 N -4.47 0.00 -1.36 0.07 4.02 0.30 -3.09 117.16 112.64 1bod n TYR 13 Ca 0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.70 1bod n TYR 13 Cb 0.15 -0.11 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 1bod n TYR 13 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1bod n ASP 15 N -1.11 6.19 -4.22 7.72 2.03 -0.24 -4.74 116.55 122.18 1bod n ASP 15 Ca 0.09 -2.97 -0.41 0.00 0.52 0.00 0.00 54.79 52.02 1bod n ASP 15 Cb 0.07 -1.30 -0.02 0.00 -0.72 0.00 0.00 41.12 39.16 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 1.44 2.68 0.06 -0.67 5.02 -1.18 -3.75 118.16 121.76 1bod n LYS 16 Ca 0.48 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1bod n LYS 16 Cb 0.65 -3.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 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 7.54 0.00 0.00 1.97 4.07 -1.26 -5.06 120.64 127.90 1bod n GLU 17 Ca 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 1bod n GLU 17 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 1bod n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bod n GLY 18 N -1.20 0.93 0.00 8.31 0.00 -1.25 -5.05 105.19 106.93 1bod n GLY 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bod n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bod n ASP 19 N 0.00 0.70 0.00 1.61 8.00 -1.26 -5.00 116.55 120.61 1bod n ASP 19 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1bod n ASP 19 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1bod n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bod n GLY 20 N 0.02 2.09 0.25 0.44 0.00 -1.26 -4.91 105.19 101.82 1bod n GLY 20 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1bod n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bod n GLN 22 N 0.00 1.07 -5.25 1.61 -0.00 -1.26 -4.25 117.38 109.30 1bod n GLN 22 Ca 0.00 -0.25 -0.31 0.00 -0.00 0.00 0.00 57.00 56.44 1bod n GLN 22 Cb 0.00 0.13 -0.16 0.00 -0.00 0.00 0.00 30.24 30.20 1bod n GLN 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1bod s LEU 23 N 0.00 2.05 0.70 2.61 1.43 -0.46 -4.89 118.68 120.12 1bod s LEU 23 Ca 0.01 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1bod s LEU 23 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1bod s LEU 23 CO 0.01 0.28 1.09 -0.94 0.23 0.00 0.00 176.35 177.02 1bod s SER 24 N -0.41 5.47 0.26 2.29 1.04 -1.26 -2.77 113.70 118.31 1bod s SER 24 Ca 0.04 1.22 0.15 0.00 0.48 0.00 0.00 55.95 57.84 1bod s SER 24 Cb -0.11 -2.05 0.82 0.00 0.10 0.00 0.00 66.02 64.78 1bod s SER 24 CO 0.01 -1.34 1.42 0.29 0.98 0.00 0.00 173.24 174.60 1bod n LYS 25 N -3.02 0.10 -0.23 4.02 4.76 -1.26 -0.94 118.16 121.60 1bod n LYS 25 Ca 0.07 0.58 0.04 0.00 -2.87 0.00 0.00 58.31 56.12 1bod n LYS 25 Cb 0.56 -1.92 0.29 0.00 -1.84 0.00 0.00 35.03 32.12 1bod n LYS 25 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1bod h GLU 26 N 0.00 0.89 0.00 1.97 4.57 -2.00 -0.55 114.58 119.46 1bod h GLU 26 Ca 0.00 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1bod h GLU 26 Cb 0.19 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1bod h GLU 26 CO 0.00 0.59 -1.37 0.39 -1.18 0.00 0.00 179.01 177.44 1bod n GLU 27 N -4.46 0.62 -0.06 1.92 4.71 -0.11 -4.17 120.64 119.09 1bod n GLU 27 Ca 0.11 0.10 -0.03 0.00 -0.01 0.00 0.00 57.16 57.32 1bod n GLU 27 Cb 0.15 -1.76 -0.02 0.00 -1.01 0.00 0.00 31.44 28.80 1bod n GLU 27 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1bod h LEU 28 N 0.00 0.00 -1.72 -4.62 6.46 -1.24 -3.12 115.31 111.08 1bod h LEU 28 Ca -0.08 -0.16 0.25 0.00 -0.12 0.00 0.00 57.88 57.78 1bod h LEU 28 Cb 1.26 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 1bod h LEU 28 CO 0.02 0.61 0.83 0.50 -0.62 0.00 0.00 178.44 179.78 1bod h LYS 29 N -1.00 0.00 -0.01 1.25 3.64 -1.34 0.72 116.57 119.82 1bod h LYS 29 Ca -0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1bod h LYS 29 Cb 0.22 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1bod h LYS 29 CO -0.00 0.00 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.29 1bod h LEU 30 N 0.00 0.74 0.57 5.20 3.38 -1.72 -2.82 115.31 120.65 1bod h LEU 30 Ca 0.42 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1bod h LEU 30 Cb 2.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1bod h LEU 30 CO -0.00 1.38 -0.47 0.25 0.09 0.00 0.00 178.44 179.68 1bod h LEU 31 N 0.17 -1.27 -0.19 1.67 6.46 0.51 -0.97 115.31 121.68 1bod h LEU 31 Ca -0.10 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1bod h LEU 31 Cb 1.49 0.40 -0.07 0.00 -0.73 0.00 0.00 40.66 41.75 1bod h LEU 31 CO 0.16 -0.66 -0.30 -0.07 -0.62 0.00 0.00 178.44 176.95 1bod h LEU 32 N -1.02 -0.96 -1.65 2.25 3.38 -1.54 1.19 115.31 116.95 1bod h LEU 32 Ca -0.07 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1bod h LEU 32 Cb 0.86 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1bod h LEU 32 CO -0.01 -0.34 0.32 0.06 0.09 0.00 0.00 178.44 178.57 1bod h GLN 33 N -0.34 0.43 -0.17 1.13 3.07 -1.38 0.68 115.11 118.52 1bod h GLN 33 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1bod h GLN 33 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1bod h GLN 33 CO -0.39 0.28 0.00 2.41 0.09 0.00 0.00 178.83 181.22 1bod n THR 34 N -4.48 1.82 0.13 1.86 -1.04 -0.38 -4.79 114.28 107.40 1bod n THR 34 Ca 0.06 -1.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.32 1bod n THR 34 Cb 0.22 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1bod n THR 34 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bod n GLU 35 N -0.60 0.00 -3.12 -2.82 1.02 0.40 -4.98 120.64 110.53 1bod n GLU 35 Ca 0.16 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 1bod n GLU 35 Cb 0.67 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.06 1bod n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1bod n PHE 36 N -3.03 3.18 0.05 -0.32 3.72 -0.44 -4.82 117.46 115.80 1bod n PHE 36 Ca 0.00 -3.45 -0.05 0.00 -0.05 0.00 0.00 57.45 53.90 1bod n PHE 36 Cb 0.00 -0.84 0.15 0.00 -0.94 0.00 0.00 39.48 37.86 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 4.36 0.39 -0.92 -1.08 0.13 0.06 -3.29 132.00 131.65 1bod h PRO 37 Ca 0.23 -0.20 0.19 0.00 -0.87 0.00 0.00 66.00 65.35 1bod h PRO 37 Cb 0.58 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.54 1bod h PRO 37 CO 1.03 0.76 -0.22 -1.13 -0.23 0.00 0.00 178.00 178.21 1bod n SER 38 N -4.00 -0.32 0.08 1.44 3.41 -1.26 0.30 113.62 113.27 1bod n SER 38 Ca -0.02 1.58 -0.11 0.00 -0.26 0.00 0.00 58.87 60.07 1bod n SER 38 Cb 0.52 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1bod n SER 38 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1bod h LEU 39 N 0.00 0.17 -3.93 1.04 -0.00 -1.85 -3.23 115.31 107.51 1bod h LEU 39 Ca 0.45 -0.18 -0.60 0.00 -0.00 0.00 0.00 57.88 57.54 1bod h LEU 39 Cb 0.70 -0.06 -0.30 0.00 -0.00 0.00 0.00 40.66 41.00 1bod h LEU 39 CO -0.94 1.14 0.57 -0.11 -0.00 0.00 0.00 178.44 179.10 1bod n LEU 40 N -3.42 6.96 -3.20 0.17 0.00 0.29 -4.68 117.00 113.13 1bod n LEU 40 Ca -0.04 -4.19 -0.27 0.00 0.00 0.00 0.00 56.01 51.52 1bod n LEU 40 Cb 0.98 -0.85 -0.06 0.00 0.00 0.00 0.00 43.42 43.48 1bod n LEU 40 CO 0.50 1.46 0.12 1.17 0.00 0.00 0.00 177.39 180.64 1bod n LYS 41 N -0.95 2.89 0.00 1.96 4.81 0.89 -4.80 118.16 122.97 1bod n LYS 41 Ca 0.58 -4.77 0.00 0.00 -0.87 0.00 0.00 58.31 53.25 1bod n LYS 41 Cb 0.91 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1bod n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bod n GLY 42 N 0.32 0.53 7.00 3.14 0.00 -1.26 -4.95 105.19 109.97 1bod n GLY 42 Ca 0.31 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 -3.86 1.61 2.81 -1.26 -4.39 117.12 112.03 1bod n MET 43 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1bod n MET 43 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 1bod n MET 43 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1bod s SER 44 N -4.00 5.05 0.00 7.83 1.04 -1.26 -5.02 113.70 117.34 1bod s SER 44 Ca 0.00 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1bod s SER 44 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1bod s SER 44 CO 0.00 -0.38 0.64 0.35 0.98 0.00 0.00 173.24 174.83 1bod n THR 45 N 4.60 0.00 0.00 2.02 -2.24 -1.26 -4.57 114.28 112.83 1bod n THR 45 Ca -0.08 1.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.84 1bod n THR 45 Cb 0.43 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 1bod n THR 45 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bod n LEU 46 N -1.26 0.00 -3.66 3.22 -0.00 -1.26 -1.23 117.00 112.81 1bod n LEU 46 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1bod n LEU 46 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1bod n LEU 46 CO 0.00 0.00 2.42 0.47 -0.00 0.00 0.00 177.39 180.28 1bod n ASP 47 N -3.36 6.10 -3.05 1.96 9.92 -1.26 -4.53 116.55 122.33 1bod n ASP 47 Ca 0.00 -2.99 -0.17 0.00 -0.53 0.00 0.00 54.79 51.10 1bod n ASP 47 Cb 0.00 -1.50 -0.01 0.00 -0.64 0.00 0.00 41.12 38.97 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 3.73 0.84 0.00 -1.24 0.00 -0.36 -4.50 120.64 119.11 1bod n GLU 48 Ca 0.53 -2.82 0.00 0.00 0.00 0.00 0.00 57.16 54.87 1bod n GLU 48 Cb 0.32 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.38 1bod n GLU 48 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1bod n LEU 49 N 0.97 0.00 -0.07 4.31 -0.00 -1.26 -4.81 117.00 116.13 1bod n LEU 49 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.06 1bod n LEU 49 Cb 0.61 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.92 1bod n LEU 49 CO 0.14 0.00 0.25 0.15 -0.00 0.00 0.00 177.39 177.93 1bod h PHE 50 N 0.00 0.00 0.00 1.47 3.57 -1.86 -3.26 116.94 116.86 1bod h PHE 50 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1bod h PHE 50 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1bod h PHE 50 CO 0.00 0.91 -0.72 1.05 -2.23 0.00 0.00 178.31 177.31 1bod h GLU 51 N -1.00 0.00 -0.12 1.11 4.11 -1.92 -2.91 114.58 113.85 1bod h GLU 51 Ca -0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1bod h GLU 51 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1bod h GLU 51 CO -0.02 0.36 -0.18 0.93 0.07 0.00 0.00 179.01 180.17 1bod h GLU 52 N 0.00 0.19 0.00 1.06 4.39 -1.79 -3.19 114.58 115.24 1bod h GLU 52 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1bod h GLU 52 Cb 1.37 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1bod h GLU 52 CO 0.05 0.37 -0.40 -0.11 -1.16 0.00 0.00 179.01 177.76 1bod n LEU 53 N -4.25 0.00 0.00 1.33 -0.00 -1.23 -4.86 117.00 108.00 1bod n LEU 53 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1bod n LEU 53 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1bod n LEU 53 CO 0.38 0.00 0.02 -0.67 -0.00 0.00 0.00 177.39 177.12 1bod n ASP 54 N -0.97 0.08 -4.57 1.96 -0.08 -1.11 -4.96 116.55 106.91 1bod n ASP 54 Ca 0.00 -0.38 -0.15 0.00 -1.51 0.00 0.00 54.79 52.76 1bod n ASP 54 Cb 0.00 0.47 -0.09 0.00 2.34 0.00 0.00 41.12 43.84 1bod n ASP 54 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1bod s LYS 55 N -0.47 1.41 -0.11 -0.67 -0.14 -1.18 -4.57 119.74 114.00 1bod s LYS 55 Ca 0.00 -0.02 0.06 0.00 -1.36 0.00 0.00 55.97 54.64 1bod s LYS 55 Cb 0.00 -4.90 0.35 0.00 -1.68 0.00 0.00 37.83 31.60 1bod s LYS 55 CO 0.00 -4.97 1.09 0.09 -0.76 0.00 0.00 175.35 170.80 1bod n ASN 56 N 19.06 3.10 -0.57 2.83 3.02 -1.26 -4.77 115.26 136.67 1bod n ASN 56 Ca 0.44 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1bod n ASN 56 Cb 0.45 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1bod n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bod n GLY 57 N 0.21 0.69 1.07 7.41 0.00 -1.26 -5.00 105.19 108.32 1bod n GLY 57 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 0.11 0.02 -3.49 1.61 -0.08 -1.26 -5.00 116.55 108.45 1bod n ASP 58 Ca 0.00 -1.88 -0.27 0.00 -1.51 0.00 0.00 54.79 51.13 1bod n ASP 58 Cb 0.37 -0.03 -0.05 0.00 2.34 0.00 0.00 41.12 43.75 1bod n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bod n GLY 59 N 0.19 -0.23 3.34 0.27 0.00 -1.26 -4.85 105.19 102.65 1bod n GLY 59 Ca -0.08 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1bod n GLY 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bod s GLU 60 N -5.12 0.62 -0.31 1.61 4.04 -1.26 -4.75 118.70 113.53 1bod s GLU 60 Ca 0.47 0.41 0.03 0.00 0.04 0.00 0.00 54.97 55.91 1bod s GLU 60 Cb -0.27 0.29 0.09 0.00 0.02 0.00 0.00 34.13 34.26 1bod s GLU 60 CO 0.66 -0.12 0.01 0.08 -1.84 0.00 0.00 175.26 174.05 1bod s VAL 61 N -0.26 2.02 0.00 1.83 1.01 -1.12 -4.72 120.40 119.16 1bod s VAL 61 Ca -0.04 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1bod s VAL 61 Cb -0.03 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1bod s VAL 61 CO 0.02 -0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.17 1bod n SER 62 N 4.40 0.00 -0.04 3.32 3.41 -1.26 -1.35 113.62 122.10 1bod n SER 62 Ca -0.03 -0.95 -0.15 0.00 -0.26 0.00 0.00 58.87 57.47 1bod n SER 62 Cb 0.42 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.79 0.15 -0.72 7.33 3.57 -1.97 -2.03 116.94 122.48 1bod h PHE 63 Ca 0.00 -0.10 0.21 0.00 3.53 0.00 0.00 57.97 61.60 1bod h PHE 63 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1bod h PHE 63 CO 0.00 1.05 0.54 0.93 -2.23 0.00 0.00 178.31 178.61 1bod h GLU 64 N -0.80 0.00 -0.01 1.11 5.08 -1.95 0.22 114.58 118.24 1bod h GLU 64 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1bod h GLU 64 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1bod h GLU 64 CO 0.04 0.00 -0.14 -0.85 -1.00 0.00 0.00 179.01 177.06 1bod n GLU 65 N -4.20 1.45 -0.06 2.33 0.00 -1.25 -4.69 120.64 114.22 1bod n GLU 65 Ca 0.14 -0.89 -0.07 0.00 0.00 0.00 0.00 57.16 56.35 1bod n GLU 65 Cb 0.81 -1.17 -0.06 0.00 0.00 0.00 0.00 31.44 31.03 1bod n GLU 65 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1bod h PHE 66 N 1.72 0.00 -0.53 -1.84 3.57 -0.17 -3.37 116.94 116.33 1bod h PHE 66 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1bod h PHE 66 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1bod h PHE 66 CO 0.00 0.46 0.90 0.00 -2.23 0.00 0.00 178.31 177.44 1bod n GLN 67 N -4.69 0.02 0.00 1.11 0.00 -1.13 -0.57 117.38 112.11 1bod n GLN 67 Ca -0.05 0.78 0.00 0.00 0.00 0.00 0.00 57.00 57.73 1bod n GLN 67 Cb 0.23 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.47 1bod n GLN 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1bod n VAL 68 N -2.55 1.06 -0.11 -0.39 0.31 -1.26 0.65 118.33 116.04 1bod n VAL 68 Ca 0.12 0.39 -0.16 0.00 -0.01 0.00 0.00 64.34 64.68 1bod n VAL 68 Cb 1.06 -1.39 -0.13 0.00 -0.91 0.00 0.00 33.84 32.46 1bod n VAL 68 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bod n LEU 69 N -1.23 2.02 0.27 7.52 4.77 0.26 -3.08 117.00 127.53 1bod n LEU 69 Ca 0.00 -0.05 0.14 0.00 -0.03 0.00 0.00 56.01 56.07 1bod n LEU 69 Cb 0.13 -0.48 0.77 0.00 -2.33 0.00 0.00 43.42 41.50 1bod n LEU 69 CO 0.00 0.78 1.00 1.62 -1.33 0.00 0.00 177.39 179.46 1bod h VAL 70 N 0.01 0.49 0.07 4.08 3.04 0.03 0.42 116.25 124.39 1bod h VAL 70 Ca -0.55 -0.47 -0.25 0.00 -1.01 0.00 0.00 66.70 64.42 1bod h VAL 70 Cb 2.02 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 1bod h VAL 70 CO -0.03 0.09 -1.20 0.11 -1.01 0.00 0.00 177.57 175.53 1bod h LYS 71 N 0.00 0.15 -0.11 4.17 1.57 -1.18 -3.02 116.57 118.15 1bod h LYS 71 Ca -0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1bod h LYS 71 Cb 0.31 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1bod h LYS 71 CO 0.01 1.08 0.00 1.17 -0.57 0.00 0.00 179.45 181.15 1bod n LYS 72 N -3.43 1.35 0.00 3.15 3.00 0.73 -3.86 118.16 119.11 1bod n LYS 72 Ca -0.06 -0.54 0.04 0.00 -0.00 0.00 0.00 58.31 57.75 1bod n LYS 72 Cb 0.99 -1.25 0.22 0.00 0.00 0.00 0.00 35.03 35.00 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 -0.17 0.73 -1.49 3.15 5.41 0.11 -4.73 119.36 122.37 1bod n ILE 73 Ca 0.11 0.18 0.00 0.00 1.00 0.00 0.00 62.75 64.04 1bod n ILE 73 Cb 0.17 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 1bod n ILE 73 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1bod n SER 74 N -1.26 0.00 -0.56 4.38 2.88 -1.25 -4.90 113.62 112.92 1bod n SER 74 Ca 0.04 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.72 1bod n SER 74 Cb 0.07 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.98 1bod n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81