#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi s HIS 39 N 0.00 3.62 -0.29 6.00 2.46 -1.26 -5.07 115.29 120.75 1aoi s HIS 39 Ca 0.00 1.08 -0.13 0.00 0.47 0.00 0.00 55.06 56.48 1aoi s HIS 39 Cb 0.00 -2.39 0.13 0.00 -0.13 0.00 0.00 32.58 30.19 1aoi s HIS 39 CO 0.00 0.43 0.79 0.50 -2.47 0.00 0.00 174.74 173.99 1aoi s ARG 40 N -1.92 0.51 0.33 2.88 3.52 -1.26 -5.16 118.95 117.85 1aoi s ARG 40 Ca 0.38 1.12 -0.27 0.00 -0.13 0.00 0.00 55.73 56.83 1aoi s ARG 40 Cb -0.15 0.50 -0.09 0.00 -1.56 0.00 0.00 34.95 33.64 1aoi s ARG 40 CO 0.19 -0.15 1.01 0.71 -0.81 0.00 0.00 175.30 176.26 1aoi s TYR 41 N 2.29 3.55 0.55 5.12 2.02 -1.26 -5.04 117.35 124.59 1aoi s TYR 41 Ca -0.06 1.73 -0.19 0.00 -0.37 0.00 0.00 57.07 58.17 1aoi s TYR 41 Cb -0.08 -3.08 -0.05 0.00 -0.40 0.00 0.00 41.96 38.35 1aoi s TYR 41 CO -0.18 -0.21 1.15 1.03 -1.57 0.00 0.00 175.55 175.76 1aoi s ARG 42 N -1.98 3.29 0.10 -0.62 0.52 -1.26 -4.93 118.95 114.08 1aoi s ARG 42 Ca 0.51 1.67 -0.32 0.00 -0.52 0.00 0.00 55.73 57.07 1aoi s ARG 42 Cb -0.23 -2.01 -0.11 0.00 0.52 0.00 0.00 34.95 33.11 1aoi s ARG 42 CO 0.30 -0.91 1.82 -0.35 0.02 0.00 0.00 175.30 176.18 1aoi n PRO 43 N -1.32 2.65 0.00 3.54 -0.04 -1.26 -1.55 135.00 137.02 1aoi n PRO 43 Ca 0.12 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1aoi n PRO 43 Cb 0.50 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1aoi n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aoi n GLY 44 N 4.17 0.74 0.07 0.55 0.00 -1.26 -4.97 105.19 104.49 1aoi n GLY 44 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1aoi n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aoi h THR 45 N 0.00 1.39 -0.85 2.61 2.02 -1.64 -2.66 112.91 113.78 1aoi h THR 45 Ca 0.00 -2.06 0.01 0.00 0.77 0.00 0.00 66.41 65.12 1aoi h THR 45 Cb 0.00 2.64 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1aoi h THR 45 CO 0.00 0.47 0.56 0.58 0.37 0.00 0.00 175.52 177.50 1aoi h VAL 46 N -1.00 1.21 -0.71 3.16 2.07 -1.93 -1.92 116.25 117.13 1aoi h VAL 46 Ca -0.02 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1aoi h VAL 46 Cb 0.82 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1aoi h VAL 46 CO -0.01 0.21 0.39 0.00 0.02 0.00 0.00 177.57 178.18 1aoi h ALA 47 N 1.31 0.96 0.09 1.67 0.00 -1.92 -1.12 119.26 120.24 1aoi h ALA 47 Ca 0.31 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1aoi h ALA 47 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1aoi h ALA 47 CO -0.07 0.05 -0.15 1.25 0.00 0.00 0.00 179.25 180.34 1aoi h LEU 48 N 0.70 -0.40 -1.49 0.00 5.85 -0.98 -1.01 115.31 117.97 1aoi h LEU 48 Ca 0.33 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 1aoi h LEU 48 Cb 0.24 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1aoi h LEU 48 CO -0.20 -0.21 -0.16 0.08 -0.34 0.00 0.00 178.44 177.61 1aoi h ARG 49 N -0.29 0.00 -0.49 1.25 0.11 -0.94 -1.51 114.38 112.51 1aoi h ARG 49 Ca 0.02 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.99 1aoi h ARG 49 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1aoi h ARG 49 CO -0.08 0.16 -0.13 0.93 0.10 0.00 0.00 179.97 180.94 1aoi h GLU 50 N 0.00 0.96 0.47 0.08 5.08 -0.74 -0.13 114.58 120.30 1aoi h GLU 50 Ca -0.00 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1aoi h GLU 50 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1aoi h GLU 50 CO 0.02 1.04 -0.23 0.82 -1.00 0.00 0.00 179.01 179.67 1aoi h ILE 51 N 0.82 0.54 -0.83 3.13 2.04 -0.35 0.23 117.51 123.09 1aoi h ILE 51 Ca 0.12 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 66.13 1aoi h ILE 51 Cb 0.70 0.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.22 1aoi h ILE 51 CO 0.05 0.00 0.36 0.03 0.00 0.00 0.00 178.15 178.60 1aoi h ARG 52 N -0.64 0.46 0.11 2.37 3.08 -1.14 -0.46 114.38 118.16 1aoi h ARG 52 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1aoi h ARG 52 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1aoi h ARG 52 CO 0.11 0.30 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.17 1aoi h ARG 53 N 0.47 -0.14 -0.08 0.04 2.43 -0.65 -2.87 114.38 113.58 1aoi h ARG 53 Ca 0.48 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.58 1aoi h ARG 53 Cb 0.78 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1aoi h ARG 53 CO -0.44 0.24 -0.29 1.88 -1.51 0.00 0.00 179.97 179.85 1aoi h TYR 54 N -0.56 0.15 -0.26 2.20 0.05 -0.60 -2.07 116.97 115.89 1aoi h TYR 54 Ca -0.02 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 1aoi h TYR 54 Cb 0.45 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1aoi h TYR 54 CO 0.06 0.42 -0.27 1.96 -1.05 0.00 0.00 178.16 179.28 1aoi h GLN 55 N 0.13 0.50 -0.30 4.88 4.20 -1.13 -3.20 115.11 120.19 1aoi h GLN 55 Ca 0.02 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1aoi h GLN 55 Cb 0.58 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1aoi h GLN 55 CO 0.04 0.73 -0.21 0.87 -0.67 0.00 0.00 178.83 179.59 1aoi h LYS 56 N 0.44 0.67 0.00 1.46 1.57 -1.20 -3.46 116.57 116.06 1aoi h LYS 56 Ca 0.06 -0.32 -0.41 0.00 -1.87 0.00 0.00 60.65 58.10 1aoi h LYS 56 Cb 0.70 -0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.16 1aoi h LYS 56 CO 0.05 0.92 0.35 -1.13 -0.57 0.00 0.00 179.45 179.07 1aoi n SER 57 N -4.33 0.31 0.00 0.86 3.41 -0.82 -5.05 113.62 108.00 1aoi n SER 57 Ca -0.03 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 1aoi n SER 57 Cb 0.42 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1aoi n SER 57 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aoi n THR 58 N -3.57 0.00 -1.52 6.66 -2.24 -1.26 -4.94 114.28 107.40 1aoi n THR 58 Ca 0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 1aoi n THR 58 Cb 0.55 1.94 0.07 0.00 -2.10 0.00 0.00 70.33 70.79 1aoi n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1aoi n GLU 59 N 0.00 0.76 -0.96 -0.78 -0.00 -1.26 -4.96 120.64 113.44 1aoi n GLU 59 Ca 0.00 0.31 -0.29 0.00 -0.00 0.00 0.00 57.16 57.18 1aoi n GLU 59 Cb 0.24 -2.29 0.18 0.00 -0.00 0.00 0.00 31.44 29.56 1aoi n GLU 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1aoi s LEU 60 N -3.19 1.90 0.00 -1.84 1.43 -1.26 -4.98 118.68 110.74 1aoi s LEU 60 Ca 0.77 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1aoi s LEU 60 Cb -0.37 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1aoi s LEU 60 CO 0.46 -3.17 0.00 0.18 0.23 0.00 0.00 176.35 174.05 1aoi n LEU 61 N -4.24 0.00 -4.87 1.79 4.77 -1.26 -5.01 117.00 108.17 1aoi n LEU 61 Ca 0.06 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.45 1aoi n LEU 61 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1aoi n LEU 61 CO 0.55 0.00 0.23 -0.63 -1.33 0.00 0.00 177.39 176.21 1aoi s ILE 62 N -0.69 4.92 -0.04 -0.08 1.01 -1.26 -5.02 121.20 120.04 1aoi s ILE 62 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 1aoi s ILE 62 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1aoi s ILE 62 CO 0.00 -0.10 1.23 -0.13 0.00 0.00 0.00 174.94 175.93 1aoi s ARG 63 N -2.90 4.35 0.21 2.79 0.52 -1.26 -4.94 118.95 117.71 1aoi s ARG 63 Ca 0.48 1.72 -0.19 0.00 -0.52 0.00 0.00 55.73 57.22 1aoi s ARG 63 Cb -0.11 -3.54 0.18 0.00 0.52 0.00 0.00 34.95 32.00 1aoi s ARG 63 CO 0.22 -0.44 1.58 0.87 0.02 0.00 0.00 175.30 177.54 1aoi h LYS 64 N 7.45 -0.09 0.07 3.54 1.57 -1.99 -2.54 116.57 124.57 1aoi h LYS 64 Ca -0.35 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1aoi h LYS 64 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1aoi h LYS 64 CO 0.88 -0.06 -0.03 1.25 -0.57 0.00 0.00 179.45 180.91 1aoi h LEU 65 N -0.10 -0.08 -0.65 2.94 5.85 -1.98 0.15 115.31 121.45 1aoi h LEU 65 Ca 0.28 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.07 1aoi h LEU 65 Cb 0.57 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 1aoi h LEU 65 CO -0.78 -0.01 0.23 -0.65 -0.34 0.00 0.00 178.44 176.89 1aoi h PRO 66 N -0.14 0.39 -0.34 5.25 0.11 -1.94 0.23 132.00 135.56 1aoi h PRO 66 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1aoi h PRO 66 Cb 0.11 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1aoi h PRO 66 CO 0.02 0.26 0.21 0.35 -0.21 0.00 0.00 178.00 178.62 1aoi h PHE 67 N 0.40 0.44 -0.16 0.65 3.57 -1.23 0.58 116.94 121.18 1aoi h PHE 67 Ca 0.34 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1aoi h PHE 67 Cb 0.46 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1aoi h PHE 67 CO -0.18 0.30 -0.30 0.37 -2.23 0.00 0.00 178.31 176.27 1aoi h GLN 68 N 0.44 -0.35 -0.66 1.11 5.75 0.90 0.13 115.11 122.43 1aoi h GLN 68 Ca 0.12 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1aoi h GLN 68 Cb -0.01 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 1aoi h GLN 68 CO -0.02 -0.23 0.40 -0.09 -2.65 0.00 0.00 178.83 176.23 1aoi h ARG 69 N -0.36 0.74 0.10 1.69 2.43 -0.24 -2.01 114.38 116.73 1aoi h ARG 69 Ca 0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1aoi h ARG 69 Cb 0.53 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1aoi h ARG 69 CO -0.36 0.49 -0.05 1.25 -1.51 0.00 0.00 179.97 179.79 1aoi h LEU 70 N 0.76 -0.11 -0.19 3.80 5.85 -0.18 -0.95 115.31 124.28 1aoi h LEU 70 Ca 0.28 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1aoi h LEU 70 Cb 0.08 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1aoi h LEU 70 CO -0.13 0.03 -0.22 0.58 -0.34 0.00 0.00 178.44 178.35 1aoi h VAL 71 N -0.25 0.44 -0.97 1.05 2.07 -0.78 -1.73 116.25 116.08 1aoi h VAL 71 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1aoi h VAL 71 Cb 0.20 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1aoi h VAL 71 CO 0.02 0.00 0.63 0.03 0.02 0.00 0.00 177.57 178.27 1aoi h ARG 72 N -0.25 1.17 -0.10 1.57 3.08 -1.31 -0.96 114.38 117.60 1aoi h ARG 72 Ca 0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1aoi h ARG 72 Cb 0.43 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1aoi h ARG 72 CO -0.34 0.78 0.06 1.49 -1.07 0.00 0.00 179.97 180.89 1aoi h GLU 73 N 1.21 0.12 -0.20 0.04 4.81 -0.56 -2.24 114.58 117.75 1aoi h GLU 73 Ca 0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1aoi h GLU 73 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1aoi h GLU 73 CO -0.13 0.08 0.08 0.82 -0.73 0.00 0.00 179.01 179.13 1aoi h ILE 74 N 0.12 1.16 -0.86 2.32 2.04 -0.99 -3.05 117.51 118.25 1aoi h ILE 74 Ca 0.04 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.51 1aoi h ILE 74 Cb -0.01 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1aoi h ILE 74 CO -0.01 0.16 0.56 0.00 0.00 0.00 0.00 178.15 178.85 1aoi h ALA 75 N 0.92 1.75 -0.58 1.87 0.00 -1.08 -2.02 119.26 120.11 1aoi h ALA 75 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1aoi h ALA 75 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1aoi h ALA 75 CO -0.01 0.05 0.41 0.37 0.00 0.00 0.00 179.25 180.08 1aoi h GLN 76 N 0.76 0.09 0.00 0.00 5.75 -1.29 0.22 115.11 120.64 1aoi h GLN 76 Ca 0.41 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 1aoi h GLN 76 Cb 0.53 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1aoi h GLN 76 CO -0.18 0.06 -0.31 -0.44 -2.65 0.00 0.00 178.83 175.31 1aoi h ASP 77 N 0.09 0.00 0.15 -0.69 3.32 -1.47 -3.27 116.42 114.55 1aoi h ASP 77 Ca 0.28 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.04 1aoi h ASP 77 Cb 0.99 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.54 1aoi h ASP 77 CO -0.03 0.31 -1.44 -0.26 -1.72 0.00 0.00 179.24 176.10 1aoi h PHE 78 N 0.00 0.56 -1.88 4.55 0.04 -0.69 -3.48 116.94 116.04 1aoi h PHE 78 Ca -0.00 -0.41 0.01 0.00 2.80 0.00 0.00 57.97 60.37 1aoi h PHE 78 Cb 0.55 -0.02 -0.23 0.00 2.20 0.00 0.00 35.95 38.45 1aoi h PHE 78 CO 0.00 1.56 0.19 0.21 -0.60 0.00 0.00 178.31 179.67 1aoi s LYS 79 N -2.51 0.70 0.41 1.51 2.20 -0.70 -5.15 119.74 116.21 1aoi s LYS 79 Ca -0.18 0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 56.31 1aoi s LYS 79 Cb 0.04 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1aoi s LYS 79 CO 0.81 -0.10 0.74 0.95 -0.36 0.00 0.00 175.35 177.38 1aoi s THR 80 N 0.75 4.86 -0.82 3.43 -4.23 -1.26 -4.14 115.64 114.24 1aoi s THR 80 Ca -0.03 0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1aoi s THR 80 Cb -0.05 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 1aoi s THR 80 CO -0.07 -0.59 0.73 -0.67 -0.54 0.00 0.00 174.62 173.48 1aoi n ASP 81 N -1.54 -7.19 -4.45 3.99 2.03 -1.26 -5.03 116.55 103.11 1aoi n ASP 81 Ca 0.01 -0.31 -0.33 0.00 0.52 0.00 0.00 54.79 54.68 1aoi n ASP 81 Cb 0.54 -4.80 -0.14 0.00 -0.72 0.00 0.00 41.12 36.00 1aoi n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aoi s LEU 82 N -4.44 2.67 0.07 -2.67 1.43 -1.26 -5.12 118.68 109.37 1aoi s LEU 82 Ca 0.09 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1aoi s LEU 82 Cb -0.02 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1aoi s LEU 82 CO 0.77 0.32 0.15 -0.13 0.23 0.00 0.00 176.35 177.69 1aoi s ARG 83 N -0.57 3.19 -0.18 1.70 0.52 -1.26 -5.09 118.95 117.26 1aoi s ARG 83 Ca 0.08 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1aoi s ARG 83 Cb -0.11 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.49 1aoi s ARG 83 CO 0.01 0.59 -0.15 -0.06 0.02 0.00 0.00 175.30 175.70 1aoi s PHE 84 N -1.47 2.53 0.27 -0.53 0.08 -1.26 -5.10 117.98 112.51 1aoi s PHE 84 Ca 0.32 -1.54 -0.30 0.00 0.12 0.00 0.00 56.93 55.53 1aoi s PHE 84 Cb -0.13 -1.75 -0.13 0.00 -0.57 0.00 0.00 43.02 40.45 1aoi s PHE 84 CO 0.25 -0.75 1.46 0.94 -0.10 0.00 0.00 175.22 177.02 1aoi n GLN 85 N 4.67 2.29 -0.35 0.44 7.27 -1.26 -4.83 117.38 125.61 1aoi n GLN 85 Ca -0.18 0.81 0.14 0.00 0.07 0.00 0.00 57.00 57.84 1aoi n GLN 85 Cb 0.49 -2.51 0.34 0.00 2.41 0.00 0.00 30.24 30.97 1aoi n GLN 85 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1aoi h SER 86 N 4.18 0.76 0.44 1.69 0.87 -2.01 -0.21 113.55 119.28 1aoi h SER 86 Ca -0.46 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.11 1aoi h SER 86 Cb 1.26 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1aoi h SER 86 CO 0.75 0.24 -0.46 0.77 -0.53 0.00 0.00 176.83 177.60 1aoi h SER 87 N 0.72 0.02 -0.33 6.23 4.64 -2.00 -2.63 113.55 120.21 1aoi h SER 87 Ca 0.59 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.88 1aoi h SER 87 Cb 0.97 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1aoi h SER 87 CO -0.40 0.48 0.13 0.00 -0.87 0.00 0.00 176.83 176.17 1aoi h ALA 88 N 1.52 0.43 -0.27 5.18 0.00 -1.38 -1.14 119.26 123.61 1aoi h ALA 88 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1aoi h ALA 88 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1aoi h ALA 88 CO 0.06 0.04 -0.00 0.28 0.00 0.00 0.00 179.25 179.62 1aoi h VAL 89 N 0.39 1.26 -0.66 0.00 2.07 -1.43 -1.53 116.25 116.34 1aoi h VAL 89 Ca 0.11 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1aoi h VAL 89 Cb 0.19 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1aoi h VAL 89 CO -0.01 0.29 0.37 0.24 0.02 0.00 0.00 177.57 178.49 1aoi h MET 90 N 0.25 0.67 0.22 1.57 2.86 -1.40 -0.41 114.93 118.70 1aoi h MET 90 Ca 0.07 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1aoi h MET 90 Cb 0.43 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1aoi h MET 90 CO 0.01 0.44 -0.30 0.00 1.06 0.00 0.00 176.91 178.13 1aoi h ALA 91 N 1.34 -0.58 -0.85 6.32 0.00 -0.96 0.73 119.26 125.26 1aoi h ALA 91 Ca 0.29 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1aoi h ALA 91 Cb 0.17 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1aoi h ALA 91 CO -0.17 -0.87 0.48 -0.07 0.00 0.00 0.00 179.25 178.62 1aoi h LEU 92 N -0.58 0.66 -0.40 0.00 3.38 -0.91 -0.09 115.31 117.37 1aoi h LEU 92 Ca 0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1aoi h LEU 92 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1aoi h LEU 92 CO -0.11 0.35 0.03 -0.61 0.09 0.00 0.00 178.44 178.19 1aoi h GLN 93 N 0.76 0.68 -0.04 1.13 4.15 -0.56 0.10 115.11 121.34 1aoi h GLN 93 Ca 0.43 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.67 1aoi h GLN 93 Cb 0.46 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1aoi h GLN 93 CO -0.28 0.76 -0.10 0.93 -1.93 0.00 0.00 178.83 178.21 1aoi h GLU 94 N 0.52 -0.14 -0.23 1.69 4.39 -0.09 -1.64 114.58 119.08 1aoi h GLU 94 Ca 0.12 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1aoi h GLU 94 Cb 0.43 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1aoi h GLU 94 CO 0.01 -0.10 0.12 0.00 -1.16 0.00 0.00 179.01 177.89 1aoi h ALA 95 N 0.86 0.28 0.30 3.43 0.00 -0.90 -1.21 119.26 122.02 1aoi h ALA 95 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1aoi h ALA 95 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1aoi h ALA 95 CO -0.13 -0.28 -0.25 0.77 0.00 0.00 0.00 179.25 179.36 1aoi h SER 96 N 0.26 -0.65 -0.33 0.00 0.02 -0.79 -0.17 113.55 111.89 1aoi h SER 96 Ca 0.09 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1aoi h SER 96 Cb 0.01 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1aoi h SER 96 CO -0.06 -0.37 0.21 -0.33 -1.14 0.00 0.00 176.83 175.15 1aoi h GLU 97 N -0.55 0.42 -0.90 3.45 5.08 -1.27 0.73 114.58 121.53 1aoi h GLU 97 Ca -0.02 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1aoi h GLU 97 Cb 0.49 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 1aoi h GLU 97 CO -0.02 0.28 0.48 0.00 -1.00 0.00 0.00 179.01 178.74 1aoi h ALA 98 N 1.13 1.41 0.30 3.43 0.00 -1.02 0.89 119.26 125.40 1aoi h ALA 98 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1aoi h ALA 98 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1aoi h ALA 98 CO -0.04 -0.11 -0.14 -0.92 0.00 0.00 0.00 179.25 178.03 1aoi h TYR 99 N 0.63 -0.37 -0.23 0.00 3.20 0.28 -3.02 116.97 117.46 1aoi h TYR 99 Ca 0.51 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1aoi h TYR 99 Cb 0.78 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1aoi h TYR 99 CO -0.08 -0.12 0.15 -0.07 -1.64 0.00 0.00 178.16 176.41 1aoi h LEU 100 N -0.59 0.26 -0.53 2.82 3.38 -0.14 -1.84 115.31 118.68 1aoi h LEU 100 Ca -0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1aoi h LEU 100 Cb 0.43 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1aoi h LEU 100 CO 0.07 0.20 0.04 0.58 0.09 0.00 0.00 178.44 179.42 1aoi h VAL 101 N 0.31 0.62 -0.46 1.22 2.07 -0.90 0.32 116.25 119.43 1aoi h VAL 101 Ca 0.08 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 1aoi h VAL 101 Cb -0.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1aoi h VAL 101 CO -0.02 0.03 -0.15 0.00 0.02 0.00 0.00 177.57 177.46 1aoi h ALA 102 N 1.45 0.88 -0.82 1.67 0.00 -1.40 -1.80 119.26 119.25 1aoi h ALA 102 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1aoi h ALA 102 Cb 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1aoi h ALA 102 CO -0.41 0.64 0.48 1.25 0.00 0.00 0.00 179.25 181.21 1aoi h LEU 103 N 0.77 0.99 -1.42 0.00 5.85 -0.55 -0.28 115.31 120.67 1aoi h LEU 103 Ca 0.12 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1aoi h LEU 103 Cb 0.67 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1aoi h LEU 103 CO 0.05 0.77 -0.27 -0.26 -0.34 0.00 0.00 178.44 178.39 1aoi h PHE 104 N 1.13 0.03 0.78 1.25 0.04 -0.33 0.83 116.94 120.69 1aoi h PHE 104 Ca 0.29 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.02 1aoi h PHE 104 Cb -0.02 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.12 1aoi h PHE 104 CO 0.01 0.30 -0.37 0.93 -0.60 0.00 0.00 178.31 178.57 1aoi h GLU 105 N 0.03 -1.01 -0.38 1.51 5.08 -0.26 -1.07 114.58 118.48 1aoi h GLU 105 Ca 0.00 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1aoi h GLU 105 Cb 0.49 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1aoi h GLU 105 CO 0.04 -0.66 0.08 -0.44 -1.00 0.00 0.00 179.01 177.03 1aoi h ASP 106 N -1.21 0.03 -0.85 1.42 3.32 -1.20 -1.03 116.42 116.89 1aoi h ASP 106 Ca -0.11 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.17 1aoi h ASP 106 Cb 0.82 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.34 1aoi h ASP 106 CO 0.18 0.05 0.41 0.74 -1.72 0.00 0.00 179.24 178.90 1aoi h THR 107 N 0.21 0.64 -0.08 0.35 2.02 -0.75 -0.69 112.91 114.61 1aoi h THR 107 Ca 0.18 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1aoi h THR 107 Cb 0.20 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1aoi h THR 107 CO -0.23 0.10 0.02 -1.13 0.37 0.00 0.00 175.52 174.64 1aoi h ASN 108 N 0.54 0.01 -1.00 4.18 -1.24 0.13 -1.65 115.58 116.54 1aoi h ASN 108 Ca 0.49 0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.61 1aoi h ASN 108 Cb 0.77 0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.76 1aoi h ASN 108 CO -0.42 0.02 0.64 -0.07 -1.29 0.00 0.00 177.43 176.31 1aoi h LEU 109 N 0.05 0.96 0.17 0.34 3.38 -0.68 -0.20 115.31 119.33 1aoi h LEU 109 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1aoi h LEU 109 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1aoi h LEU 109 CO -0.04 0.55 -0.08 0.00 0.09 0.00 0.00 178.44 178.95 1aoi h ALA 111 N 0.51 0.60 -0.56 0.00 0.00 -0.73 -0.58 119.26 118.50 1aoi h ALA 111 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1aoi h ALA 111 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1aoi h ALA 111 CO 0.04 -0.19 0.07 0.82 0.00 0.00 0.00 179.25 179.99 1aoi h ILE 112 N 0.38 1.25 -0.94 0.00 2.04 -0.94 0.11 117.51 119.39 1aoi h ILE 112 Ca 0.23 -0.96 0.11 0.00 1.00 0.00 0.00 64.86 65.23 1aoi h ILE 112 Cb 0.22 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1aoi h ILE 112 CO -0.22 0.35 0.60 -0.74 0.00 0.00 0.00 178.15 178.15 1aoi h HIS 113 N 0.85 1.03 -0.39 1.37 2.76 0.12 0.22 115.15 121.12 1aoi h HIS 113 Ca 0.17 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.17 1aoi h HIS 113 Cb 0.40 -0.33 -0.12 0.00 1.55 0.00 0.00 27.41 28.92 1aoi h HIS 113 CO 0.02 0.45 0.25 0.00 -1.30 0.00 0.00 177.93 177.35 1aoi n ALA 114 N -2.38 3.69 -2.73 5.26 0.00 -0.44 -4.85 120.51 119.05 1aoi n ALA 114 Ca 0.17 -1.12 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 1aoi n ALA 114 Cb 0.33 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1aoi n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoi n LYS 115 N -0.13 -2.94 -4.42 0.00 5.02 0.76 -4.97 118.16 111.47 1aoi n LYS 115 Ca 0.23 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.96 1aoi n LYS 115 Cb 0.95 -5.45 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 1aoi n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aoi s ARG 116 N -5.37 2.23 0.00 1.97 0.52 0.29 -4.99 118.95 113.60 1aoi s ARG 116 Ca 0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.06 1aoi s ARG 116 Cb -0.07 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.65 1aoi s ARG 116 CO 0.18 -0.52 0.00 0.28 0.02 0.00 0.00 175.30 175.26 1aoi n VAL 117 N -1.51 0.00 -3.25 3.52 0.31 -1.26 -3.70 118.33 112.43 1aoi n VAL 117 Ca -0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 1aoi n VAL 117 Cb 0.66 -0.02 -0.08 0.00 -0.91 0.00 0.00 33.84 33.49 1aoi n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1aoi s THR 118 N -0.82 5.02 0.21 2.52 2.01 -1.26 -5.00 115.64 118.32 1aoi s THR 118 Ca 0.00 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1aoi s THR 118 Cb 0.00 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 1aoi s THR 118 CO 0.00 -0.23 1.00 0.27 -0.69 0.00 0.00 174.62 174.97 1aoi s ILE 119 N 2.37 4.03 0.40 1.82 -4.36 -1.26 -4.93 121.20 119.26 1aoi s ILE 119 Ca 0.18 1.91 0.03 0.00 -0.26 0.00 0.00 60.65 62.51 1aoi s ILE 119 Cb -0.16 -4.21 -0.04 0.00 1.25 0.00 0.00 42.46 39.30 1aoi s ILE 119 CO 0.13 0.40 0.09 -0.04 0.24 0.00 0.00 174.94 175.76 1aoi s MET 120 N -0.84 1.89 0.26 0.37 1.00 -1.26 -5.03 119.30 115.68 1aoi s MET 120 Ca 0.44 -2.13 -0.02 0.00 0.00 0.00 0.00 55.69 53.98 1aoi s MET 120 Cb -0.27 -0.85 0.48 0.00 0.00 0.00 0.00 34.83 34.18 1aoi s MET 120 CO 0.34 -0.36 1.79 -1.35 0.00 0.00 0.00 175.02 175.43 1aoi h PRO 121 N 1.82 0.71 -0.79 2.03 0.11 -2.00 -1.44 132.00 132.43 1aoi h PRO 121 Ca -0.38 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.87 1aoi h PRO 121 Cb 1.27 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 32.09 1aoi h PRO 121 CO 0.64 0.47 0.14 0.87 -0.21 0.00 0.00 178.00 179.91 1aoi h LYS 122 N 0.73 0.19 -0.33 1.05 1.57 -1.99 0.15 116.57 117.94 1aoi h LYS 122 Ca 0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1aoi h LYS 122 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1aoi h LYS 122 CO -0.30 0.13 0.15 -0.44 -0.57 0.00 0.00 179.45 178.41 1aoi h ASP 123 N 0.20 0.43 -0.18 0.86 3.32 -1.61 -0.50 116.42 118.94 1aoi h ASP 123 Ca 0.46 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1aoi h ASP 123 Cb 0.85 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1aoi h ASP 123 CO -0.61 0.45 0.09 0.40 -1.72 0.00 0.00 179.24 177.84 1aoi h ILE 124 N 0.39 1.12 -0.19 0.35 2.04 -0.93 -2.58 117.51 117.71 1aoi h ILE 124 Ca 0.11 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1aoi h ILE 124 Cb 0.13 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1aoi h ILE 124 CO -0.01 0.12 -0.12 1.56 0.00 0.00 0.00 178.15 179.70 1aoi h GLN 125 N 0.16 -0.11 0.20 2.37 4.20 -0.91 0.18 115.11 121.20 1aoi h GLN 125 Ca 0.06 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1aoi h GLN 125 Cb 0.11 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1aoi h GLN 125 CO -0.01 -0.07 -0.33 1.25 -0.67 0.00 0.00 178.83 179.00 1aoi h LEU 126 N -0.11 -0.92 -0.40 1.46 5.85 -1.08 -0.32 115.31 119.79 1aoi h LEU 126 Ca 0.11 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1aoi h LEU 126 Cb 0.27 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1aoi h LEU 126 CO -0.26 -0.43 -0.03 0.00 -0.34 0.00 0.00 178.44 177.38 1aoi h ALA 127 N -0.01 0.33 -0.93 1.25 0.00 -1.02 0.63 119.26 119.51 1aoi h ALA 127 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1aoi h ALA 127 Cb 0.60 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1aoi h ALA 127 CO -0.14 -0.41 0.61 0.00 0.00 0.00 0.00 179.25 179.30 1aoi h ARG 128 N 0.07 1.11 0.51 0.00 3.08 -0.62 0.00 114.38 118.53 1aoi h ARG 128 Ca 0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1aoi h ARG 128 Cb 0.29 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1aoi h ARG 128 CO -0.35 0.74 -0.33 0.00 -1.07 0.00 0.00 179.97 178.95 1aoi h ARG 129 N 1.15 -0.77 -0.23 0.04 3.08 0.86 -1.38 114.38 117.13 1aoi h ARG 129 Ca 0.37 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 1aoi h ARG 129 Cb 0.04 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1aoi h ARG 129 CO -0.12 -0.51 0.04 0.82 -1.07 0.00 0.00 179.97 179.13 1aoi h ILE 130 N -0.80 1.12 0.00 2.04 2.04 -0.94 -1.07 117.51 119.90 1aoi h ILE 130 Ca -0.06 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1aoi h ILE 130 Cb 0.66 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1aoi h ILE 130 CO 0.05 0.15 -0.08 0.03 0.00 0.00 0.00 178.15 178.30 1aoi h ARG 131 N 0.32 0.00 0.00 2.37 3.08 -0.73 -3.47 114.38 115.95 1aoi h ARG 131 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1aoi h ARG 131 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1aoi h ARG 131 CO -0.00 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1aoi n GLY 132 N -0.31 0.76 0.04 0.04 0.00 -0.41 -4.95 105.19 100.36 1aoi n GLY 132 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1aoi n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aoi n GLU 133 N -2.02 0.19 0.00 1.61 1.02 -0.58 -4.33 120.64 116.52 1aoi n GLU 133 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1aoi n GLU 133 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1aoi n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1aoi n ARG 134 N -1.89 1.20 0.00 3.49 1.74 -1.14 -4.96 116.66 115.10 1aoi n ARG 134 Ca 0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1aoi n ARG 134 Cb 0.40 -0.80 0.09 0.00 -1.02 0.00 0.00 32.46 31.14 1aoi n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11