#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adg h HIS 14 N 0.00 0.06 0.00 7.33 3.86 -2.01 -3.40 115.15 120.99 3adg h HIS 14 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3adg h HIS 14 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3adg h HIS 14 CO 0.00 0.32 0.00 1.55 0.86 0.00 0.00 177.93 180.66 3adg n VAL 15 N -4.91 0.41 -0.12 2.45 3.14 -1.26 -4.73 118.33 113.30 3adg n VAL 15 Ca -0.07 -0.69 -0.11 0.00 -2.96 0.00 0.00 64.34 60.51 3adg n VAL 15 Cb 0.17 0.81 -0.02 0.00 -1.06 0.00 0.00 33.84 33.73 3adg n VAL 15 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 3adg h PHE 16 N 0.00 0.77 -0.08 1.45 -1.00 -1.86 -2.26 116.94 113.95 3adg h PHE 16 Ca 0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.62 3adg h PHE 16 Cb 0.22 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3adg h PHE 16 CO 0.00 0.84 0.05 0.87 -1.61 0.00 0.00 178.31 178.45 3adg h LYS 17 N 0.48 0.10 -0.72 1.51 1.57 -1.85 -0.90 116.57 116.76 3adg h LYS 17 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3adg h LYS 17 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3adg h LYS 17 CO 0.03 0.06 0.41 0.66 -0.57 0.00 0.00 179.45 180.05 3adg h SER 18 N 0.10 0.88 -0.06 0.86 4.64 -1.88 -0.95 113.55 117.14 3adg h SER 18 Ca 0.03 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3adg h SER 18 Cb -0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3adg h SER 18 CO -0.02 0.69 -0.24 0.03 -0.87 0.00 0.00 176.83 176.43 3adg h ARG 19 N 1.00 0.48 -0.15 4.77 3.08 -0.85 -1.12 114.38 121.59 3adg h ARG 19 Ca 0.26 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 3adg h ARG 19 Cb -0.00 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3adg h ARG 19 CO -0.04 0.69 -0.75 1.25 -1.07 0.00 0.00 179.97 180.04 3adg h LEU 20 N 0.43 0.93 -0.93 3.04 5.85 -0.78 -2.05 115.31 121.79 3adg h LEU 20 Ca 0.06 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.19 3adg h LEU 20 Cb 0.65 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3adg h LEU 20 CO 0.05 1.40 0.61 -0.61 -0.34 0.00 0.00 178.44 179.55 3adg h GLN 21 N 0.51 1.15 -0.54 1.25 5.75 -0.84 0.25 115.11 122.65 3adg h GLN 21 Ca -0.05 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 3adg h GLN 21 Cb 1.38 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3adg h GLN 21 CO 0.16 0.76 0.14 0.93 -2.65 0.00 0.00 178.83 178.17 3adg h GLU 22 N 1.19 0.86 -0.12 1.69 5.08 -1.10 -1.08 114.58 121.10 3adg h GLU 22 Ca 0.37 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3adg h GLU 22 Cb -0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3adg h GLU 22 CO -0.11 0.80 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.66 3adg h TYR 23 N 0.76 -0.28 -0.48 4.33 3.20 -0.88 -0.10 116.97 123.51 3adg h TYR 23 Ca 0.17 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3adg h TYR 23 Cb 0.32 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 3adg h TYR 23 CO 0.02 -0.17 0.05 0.00 -1.64 0.00 0.00 178.16 176.42 3adg h ALA 24 N 0.95 0.50 -0.32 1.82 0.00 -0.61 -1.19 119.26 120.41 3adg h ALA 24 Ca 0.08 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3adg h ALA 24 Cb 0.26 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3adg h ALA 24 CO -0.20 -0.35 -0.13 0.37 0.00 0.00 0.00 179.25 178.94 3adg h GLN 25 N 0.18 0.64 -0.65 0.00 4.15 -0.91 -0.30 115.11 118.21 3adg h GLN 25 Ca 0.24 -0.27 0.09 0.00 0.77 0.00 0.00 58.65 59.48 3adg h GLN 25 Cb 0.34 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.94 3adg h GLN 25 CO -0.36 0.85 0.31 -0.22 -1.93 0.00 0.00 178.83 177.48 3adg h LYS 26 N 0.41 0.52 -0.64 1.69 3.64 -0.64 -2.55 116.57 119.00 3adg h LYS 26 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3adg h LYS 26 Cb 0.64 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3adg h LYS 26 CO 0.04 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 3adg n TYR 27 N -4.90 1.27 -3.59 1.91 4.02 -0.48 -4.94 117.16 110.44 3adg n TYR 27 Ca 0.09 -0.49 -0.23 0.00 -0.01 0.00 0.00 57.90 57.27 3adg n TYR 27 Cb 0.25 -0.25 0.08 0.00 -0.02 0.00 0.00 39.34 39.39 3adg n TYR 27 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3adg n LYS 28 N 0.75 -7.58 -4.21 -0.72 4.76 -0.70 -5.01 118.16 105.45 3adg n LYS 28 Ca 0.20 0.82 -0.29 0.00 -2.87 0.00 0.00 58.31 56.17 3adg n LYS 28 Cb 0.78 -5.85 -0.09 0.00 -1.84 0.00 0.00 35.03 28.03 3adg n LYS 28 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3adg s LEU 29 N -7.15 3.15 0.61 -0.35 1.43 -0.20 -5.05 118.68 111.11 3adg s LEU 29 Ca 0.49 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 3adg s LEU 29 Cb -0.22 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3adg s LEU 29 CO 0.74 0.16 1.20 -2.65 0.23 0.00 0.00 176.35 176.03 3adg n PRO 30 N 0.49 1.17 -1.55 1.29 -0.02 -1.26 -4.33 135.00 130.79 3adg n PRO 30 Ca -0.12 0.45 -0.55 0.00 -2.02 0.00 0.00 63.50 61.26 3adg n PRO 30 Cb 0.53 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 3adg n PRO 30 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3adg n THR 31 N -1.65 0.13 -1.69 3.45 -1.04 -1.26 -4.74 114.28 107.48 3adg n THR 31 Ca 0.14 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 3adg n THR 31 Cb 0.47 -0.45 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3adg n THR 31 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3adg n PRO 32 N 1.98 2.08 -4.17 -2.82 -0.02 -1.26 -4.98 135.00 125.81 3adg n PRO 32 Ca 0.19 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 62.09 3adg n PRO 32 Cb 0.15 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 3adg n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3adg s VAL 33 N -0.79 3.97 -0.14 -1.45 0.11 -0.86 -4.95 120.40 116.29 3adg s VAL 33 Ca 0.59 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 3adg s VAL 33 Cb -0.60 -2.87 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 3adg s VAL 33 CO 0.58 0.16 -0.15 -0.31 -3.33 0.00 0.00 175.10 172.06 3adg s TYR 34 N -1.26 2.77 -0.11 1.54 1.51 -1.26 -0.51 117.35 120.03 3adg s TYR 34 Ca 0.24 -0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 55.29 3adg s TYR 34 Cb -0.12 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 3adg s TYR 34 CO 0.17 -0.36 0.35 -1.21 -1.11 0.00 0.00 175.55 173.39 3adg s GLU 35 N 0.58 4.11 -0.19 -0.62 2.02 0.81 -4.98 118.70 120.43 3adg s GLU 35 Ca -0.09 0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.09 3adg s GLU 35 Cb -0.16 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3adg s GLU 35 CO 0.03 0.39 -0.04 0.42 0.02 0.00 0.00 175.26 176.08 3adg s ILE 36 N -0.04 3.55 -0.15 -1.63 1.01 -1.26 -1.63 121.20 121.05 3adg s ILE 36 Ca 0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3adg s ILE 36 Cb -0.14 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3adg s ILE 36 CO 0.08 0.45 -0.04 -0.69 0.00 0.00 0.00 174.94 174.74 3adg s VAL 37 N 1.04 3.90 -0.06 2.92 1.01 0.15 -5.01 120.40 124.35 3adg s VAL 37 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3adg s VAL 37 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3adg s VAL 37 CO 0.00 0.50 -0.23 -0.75 0.00 0.00 0.00 175.10 174.62 3adg s LYS 38 N 0.33 2.50 0.17 2.72 2.20 -1.26 -1.90 119.74 124.50 3adg s LYS 38 Ca -0.04 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3adg s LYS 38 Cb -0.14 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 3adg s LYS 38 CO 0.03 0.31 0.12 -1.21 -0.36 0.00 0.00 175.35 174.24 3adg s GLU 39 N 0.00 1.10 0.13 4.03 2.02 -0.24 -4.96 118.70 120.78 3adg s GLU 39 Ca -0.07 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.41 3adg s GLU 39 Cb -0.14 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.36 3adg s GLU 39 CO 0.05 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.39 3adg n GLY 40 N -0.20 -2.85 3.61 -1.39 0.00 -1.26 -0.60 105.19 102.50 3adg n GLY 40 Ca -0.02 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 3adg n GLY 40 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3adg n PRO 41 N -0.49 1.48 -0.36 1.61 -0.02 -1.26 -4.71 135.00 131.25 3adg n PRO 41 Ca 0.00 0.52 0.27 0.00 -2.02 0.00 0.00 63.50 62.27 3adg n PRO 41 Cb 0.00 -1.95 0.56 0.00 -0.02 0.00 0.00 33.50 32.08 3adg n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3adg h SER 42 N 2.39 0.37 -0.29 2.55 4.64 -2.00 0.10 113.55 121.31 3adg h SER 42 Ca -0.41 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3adg h SER 42 Cb 1.33 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3adg h SER 42 CO 0.63 -0.00 0.00 1.41 -0.87 0.00 0.00 176.83 178.00 3adg n HIS 43 N -4.64 0.38 -2.73 4.77 8.25 -1.26 -4.42 115.22 115.57 3adg n HIS 43 Ca 0.29 -0.36 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 3adg n HIS 43 Cb 1.05 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.15 3adg n HIS 43 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3adg n LYS 44 N 0.68 2.05 -1.99 -0.41 4.76 0.29 -5.11 118.16 118.43 3adg n LYS 44 Ca 0.12 -3.84 -0.32 0.00 -2.87 0.00 0.00 58.31 51.39 3adg n LYS 44 Cb 0.41 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 31.88 3adg n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3adg s SER 45 N -3.17 5.75 0.04 4.39 0.01 -0.88 -4.02 113.70 115.83 3adg s SER 45 Ca 0.38 1.78 0.08 0.00 1.31 0.00 0.00 55.95 59.50 3adg s SER 45 Cb 0.40 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 3adg s SER 45 CO -0.07 -1.19 -0.23 -0.76 0.41 0.00 0.00 173.24 171.40 3adg s LEU 46 N -4.63 2.16 0.03 2.44 1.43 0.24 -4.67 118.68 115.67 3adg s LEU 46 Ca 0.63 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3adg s LEU 46 Cb -0.16 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 3adg s LEU 46 CO 0.39 0.20 -0.19 -0.36 0.23 0.00 0.00 176.35 176.63 3adg s PHE 47 N -0.79 1.66 0.01 0.29 0.40 0.38 -1.08 117.98 118.85 3adg s PHE 47 Ca 0.09 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3adg s PHE 47 Cb -0.09 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 3adg s PHE 47 CO 0.02 0.05 0.02 -1.14 0.70 0.00 0.00 175.22 174.87 3adg s GLN 48 N -0.98 0.29 0.05 0.44 -0.44 -0.80 -1.62 119.66 116.60 3adg s GLN 48 Ca 0.06 -0.44 0.03 0.00 -2.50 0.00 0.00 55.36 52.51 3adg s GLN 48 Cb -0.08 0.11 -0.02 0.00 -1.64 0.00 0.00 33.01 31.38 3adg s GLN 48 CO 0.01 -0.05 -0.09 0.45 0.50 0.00 0.00 175.29 176.11 3adg s SER 49 N -1.16 0.98 -0.12 6.67 0.15 -1.26 -0.68 113.70 118.28 3adg s SER 49 Ca -0.13 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 55.99 3adg s SER 49 Cb -0.08 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3adg s SER 49 CO -0.00 -0.19 -0.21 -0.89 1.20 0.00 0.00 173.24 173.15 3adg s THR 50 N -1.38 2.27 -0.14 6.45 2.01 -0.64 -0.24 115.64 123.97 3adg s THR 50 Ca -0.09 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 3adg s THR 50 Cb -0.10 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3adg s THR 50 CO 0.01 0.55 0.15 0.54 -0.69 0.00 0.00 174.62 175.17 3adg s VAL 51 N 0.48 5.46 -0.19 3.82 0.11 -0.21 -0.14 120.40 129.73 3adg s VAL 51 Ca -0.14 0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 3adg s VAL 51 Cb -0.17 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 3adg s VAL 51 CO 0.06 0.56 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.61 3adg s ILE 52 N -0.59 2.53 -0.03 7.04 1.09 0.34 -0.59 121.20 130.98 3adg s ILE 52 Ca 0.13 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 3adg s ILE 52 Cb -0.12 -2.10 0.03 0.00 -1.06 0.00 0.00 42.46 39.21 3adg s ILE 52 CO 0.03 0.50 0.01 -0.22 -0.10 0.00 0.00 174.94 175.15 3adg s LEU 53 N 1.32 1.04 -1.57 2.97 2.96 -0.36 -2.04 118.68 123.00 3adg s LEU 53 Ca 0.05 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 3adg s LEU 53 Cb -0.14 -0.23 0.10 0.00 0.50 0.00 0.00 46.19 46.42 3adg s LEU 53 CO -0.09 -0.12 0.75 -0.67 -1.32 0.00 0.00 176.35 174.90 3adg n ASP 54 N 4.31 -2.88 0.00 3.68 2.03 -1.26 -0.31 116.55 122.11 3adg n ASP 54 Ca -0.23 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.13 3adg n ASP 54 Cb 0.50 -3.17 0.00 0.00 -0.72 0.00 0.00 41.12 37.73 3adg n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3adg n GLY 55 N -1.62 2.99 3.76 0.27 0.00 -1.26 -4.99 105.19 104.33 3adg n GLY 55 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3adg n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3adg s VAL 56 N -1.83 5.10 -0.21 1.61 1.01 0.57 -5.07 120.40 121.59 3adg s VAL 56 Ca 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 3adg s VAL 56 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3adg s VAL 56 CO 0.00 0.40 0.11 -0.13 0.00 0.00 0.00 175.10 175.49 3adg s ARG 57 N 0.08 4.05 -0.06 2.72 0.52 -1.26 -1.22 118.95 123.77 3adg s ARG 57 Ca 0.26 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.21 3adg s ARG 57 Cb -0.16 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3adg s ARG 57 CO 0.12 0.18 -0.17 0.71 0.02 0.00 0.00 175.30 176.16 3adg s TYR 58 N 0.67 1.84 -0.14 -0.53 1.51 0.24 -4.98 117.35 115.96 3adg s TYR 58 Ca 0.06 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.45 3adg s TYR 58 Cb -0.13 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3adg s TYR 58 CO 0.01 -0.25 0.03 -0.80 -1.11 0.00 0.00 175.55 173.43 3adg s ASN 59 N 0.26 5.40 0.99 2.29 -0.87 -1.26 -1.04 114.94 120.70 3adg s ASN 59 Ca -0.10 0.09 -0.12 0.00 -1.57 0.00 0.00 52.86 51.17 3adg s ASN 59 Cb -0.14 -1.78 0.18 0.00 -0.02 0.00 0.00 41.25 39.49 3adg s ASN 59 CO 0.04 0.26 1.08 -0.94 -2.57 0.00 0.00 177.10 174.97 3adg s SER 60 N -0.15 2.59 0.80 -1.22 1.04 0.67 -4.70 113.70 112.73 3adg s SER 60 Ca 0.06 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 57.91 3adg s SER 60 Cb -0.12 -2.22 0.08 0.00 0.10 0.00 0.00 66.02 63.85 3adg s SER 60 CO 0.02 -3.20 1.21 0.18 0.98 0.00 0.00 173.24 172.43 3adg n LEU 61 N -4.26 4.54 -4.94 2.42 4.77 -1.26 -4.75 117.00 113.52 3adg n LEU 61 Ca 0.06 0.60 -0.26 0.00 -0.03 0.00 0.00 56.01 56.38 3adg n LEU 61 Cb 0.55 -1.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.22 3adg n LEU 61 CO 0.55 -1.65 0.66 -2.16 -1.33 0.00 0.00 177.39 173.47 3adg s PRO 62 N -4.08 1.77 0.00 3.23 0.04 -1.26 -4.60 135.00 130.10 3adg s PRO 62 Ca 0.74 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3adg s PRO 62 Cb -0.30 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3adg s PRO 62 CO 0.50 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3adg n GLY 63 N -3.09 0.49 3.81 0.56 0.00 -1.13 -4.98 105.19 100.86 3adg n GLY 63 Ca 0.11 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3adg n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3adg s PHE 64 N -2.00 3.08 -1.55 1.61 0.40 -0.64 -4.73 117.98 114.14 3adg s PHE 64 Ca 0.00 1.45 0.24 0.00 -0.60 0.00 0.00 56.93 58.02 3adg s PHE 64 Cb 0.00 -2.92 0.38 0.00 0.51 0.00 0.00 43.02 40.99 3adg s PHE 64 CO 0.00 -1.19 1.32 1.19 0.70 0.00 0.00 175.22 177.25 3adg n PHE 65 N -2.79 0.00 -3.67 0.36 0.99 -1.26 -0.47 117.46 110.62 3adg n PHE 65 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.43 3adg n PHE 65 Cb 0.53 -0.10 -0.04 0.00 -1.00 0.00 0.00 39.48 38.87 3adg n PHE 65 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3adg s ASN 66 N -2.68 -0.28 0.19 4.37 2.20 -1.26 -4.92 114.94 112.56 3adg s ASN 66 Ca 0.18 -0.38 -0.10 0.00 -0.94 0.00 0.00 52.86 51.62 3adg s ASN 66 Cb 0.18 0.54 0.10 0.00 -2.00 0.00 0.00 41.25 40.07 3adg s ASN 66 CO 0.62 -0.97 1.72 0.08 -2.94 0.00 0.00 177.10 175.62 3adg h ARG 67 N 2.25 1.03 -0.64 3.55 -0.00 -1.96 -2.86 114.38 115.75 3adg h ARG 67 Ca -0.31 -0.22 0.00 0.00 -0.00 0.00 0.00 59.98 59.45 3adg h ARG 67 Cb 1.26 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.97 31.05 3adg h ARG 67 CO 0.41 0.90 0.40 0.87 -0.00 0.00 0.00 179.97 182.55 3adg h LYS 68 N 0.96 0.85 -0.80 0.08 1.57 -1.99 0.28 116.57 117.52 3adg h LYS 68 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3adg h LYS 68 Cb 0.30 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3adg h LYS 68 CO -0.01 0.59 0.47 0.00 -0.57 0.00 0.00 179.45 179.93 3adg h ALA 69 N 1.21 1.02 -0.22 3.86 0.00 -1.93 -0.43 119.26 122.77 3adg h ALA 69 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3adg h ALA 69 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3adg h ALA 69 CO -0.05 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.81 3adg h ALA 70 N 1.25 0.28 -0.52 0.00 0.00 -1.19 -1.66 119.26 117.43 3adg h ALA 70 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3adg h ALA 70 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3adg h ALA 70 CO -0.05 -0.16 0.28 0.93 0.00 0.00 0.00 179.25 180.25 3adg h GLU 71 N 0.22 0.72 -1.00 0.00 5.08 -0.71 -0.64 114.58 118.26 3adg h GLU 71 Ca 0.07 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3adg h GLU 71 Cb 0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3adg h GLU 71 CO -0.01 0.57 0.65 1.96 -1.00 0.00 0.00 179.01 181.18 3adg h GLN 72 N 0.69 1.20 -0.45 2.33 1.08 -0.98 -0.43 115.11 118.55 3adg h GLN 72 Ca 0.18 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 3adg h GLN 72 Cb 0.06 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 3adg h GLN 72 CO -0.03 0.79 0.06 1.03 -0.95 0.00 0.00 178.83 179.74 3adg h SER 73 N 1.24 0.72 -0.47 1.46 0.87 -0.51 -1.07 113.55 115.78 3adg h SER 73 Ca 0.40 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3adg h SER 73 Cb 0.04 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3adg h SER 73 CO -0.14 0.80 0.28 0.00 -0.53 0.00 0.00 176.83 177.24 3adg h ALA 74 N 0.94 0.60 -0.77 6.23 0.00 -0.67 -1.32 119.26 124.27 3adg h ALA 74 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3adg h ALA 74 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3adg h ALA 74 CO 0.01 -0.04 0.26 0.00 0.00 0.00 0.00 179.25 179.49 3adg h ALA 75 N 1.21 1.02 -0.26 0.00 0.00 -0.88 -0.61 119.26 119.73 3adg h ALA 75 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3adg h ALA 75 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3adg h ALA 75 CO -0.09 0.67 0.13 1.49 0.00 0.00 0.00 179.25 181.45 3adg h GLU 76 N 1.13 0.27 -0.31 0.00 4.81 -0.79 -0.42 114.58 119.27 3adg h GLU 76 Ca 0.25 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3adg h GLU 76 Cb 0.28 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3adg h GLU 76 CO -0.01 0.18 0.15 0.28 -0.73 0.00 0.00 179.01 178.87 3adg h VAL 77 N 0.28 0.98 -0.07 0.32 2.07 -0.85 -1.45 116.25 117.52 3adg h VAL 77 Ca 0.11 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3adg h VAL 77 Cb 0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3adg h VAL 77 CO -0.07 0.06 -0.18 0.00 0.02 0.00 0.00 177.57 177.39 3adg h ALA 78 N 1.16 -0.17 -0.45 1.67 0.00 -0.72 -1.77 119.26 118.99 3adg h ALA 78 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3adg h ALA 78 Cb 0.05 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3adg h ALA 78 CO -0.09 -0.65 0.23 -0.07 0.00 0.00 0.00 179.25 178.67 3adg h LEU 79 N -0.26 0.35 -0.77 0.00 3.38 -0.86 0.74 115.31 117.90 3adg h LEU 79 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3adg h LEU 79 Cb 0.37 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3adg h LEU 79 CO -0.23 0.25 0.50 0.03 0.09 0.00 0.00 178.44 179.09 3adg h ARG 80 N 0.47 0.98 -0.15 1.13 3.08 -1.02 -2.71 114.38 116.15 3adg h ARG 80 Ca 0.19 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 3adg h ARG 80 Cb 0.08 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 29.92 3adg h ARG 80 CO -0.12 0.65 -0.64 1.49 -1.07 0.00 0.00 179.97 180.27 3adg h GLU 81 N 1.01 0.70 -0.09 0.04 4.57 -0.70 -2.88 114.58 117.23 3adg h GLU 81 Ca 0.29 -0.55 0.03 0.00 -1.18 0.00 0.00 59.36 57.95 3adg h GLU 81 Cb -0.06 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3adg h GLU 81 CO -0.08 1.17 0.11 -0.07 -1.18 0.00 0.00 179.01 178.95 3adg h LEU 82 N 0.39 0.00 0.00 1.64 3.38 -0.69 -2.16 115.31 117.87 3adg h LEU 82 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3adg h LEU 82 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3adg h LEU 82 CO 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.51 3adg h ALA 83 N 1.87 0.91 0.00 1.53 0.00 -1.26 -3.51 119.26 118.80 3adg h ALA 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3adg h ALA 83 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3adg h ALA 83 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88