#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyd s TYR 21 N 0.00 3.47 -0.04 -0.32 2.02 -1.26 -3.46 117.35 117.76 3kyd s TYR 21 Ca 0.00 0.58 0.01 0.00 -0.37 0.00 0.00 57.07 57.29 3kyd s TYR 21 Cb 0.00 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3kyd s TYR 21 CO 0.00 0.37 -0.04 0.42 -1.57 0.00 0.00 175.55 174.73 3kyd s ILE 22 N -1.76 0.51 -0.14 2.71 -1.09 -1.01 -4.99 121.20 115.43 3kyd s ILE 22 Ca 0.42 -0.12 -0.23 0.00 -2.23 0.00 0.00 60.65 58.49 3kyd s ILE 22 Cb -0.12 -0.54 -0.03 0.00 -1.58 0.00 0.00 42.46 40.20 3kyd s ILE 22 CO 0.25 0.22 0.70 -0.75 -1.23 0.00 0.00 174.94 174.13 3kyd s LYS 23 N 0.87 4.33 -0.02 2.79 2.20 -1.26 -1.92 119.74 126.73 3kyd s LYS 23 Ca -0.12 0.81 0.06 0.00 -0.36 0.00 0.00 55.97 56.36 3kyd s LYS 23 Cb -0.14 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3kyd s LYS 23 CO 0.00 -0.13 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.16 3kyd s LEU 24 N 1.48 2.43 -0.17 5.43 1.43 0.15 -1.16 118.68 128.26 3kyd s LEU 24 Ca 0.34 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3kyd s LEU 24 Cb -0.17 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3kyd s LEU 24 CO 0.14 0.32 0.44 -0.54 0.23 0.00 0.00 176.35 176.94 3kyd s LYS 25 N -0.80 4.24 -0.34 1.70 1.02 -0.51 -1.10 119.74 123.93 3kyd s LYS 25 Ca 0.11 0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.40 3kyd s LYS 25 Cb -0.10 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.79 3kyd s LYS 25 CO 0.01 0.03 0.08 0.08 -0.92 0.00 0.00 175.35 174.62 3kyd s VAL 26 N 1.09 3.00 -0.22 3.17 1.01 -0.11 0.25 120.40 128.59 3kyd s VAL 26 Ca 0.22 -1.75 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 3kyd s VAL 26 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3kyd s VAL 26 CO 0.09 -0.38 0.06 -0.63 0.00 0.00 0.00 175.10 174.23 3kyd s ILE 27 N 1.17 4.44 0.75 2.22 1.01 0.08 -1.73 121.20 129.14 3kyd s ILE 27 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3kyd s ILE 27 Cb -0.21 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.32 3kyd s ILE 27 CO -0.03 0.39 1.06 -0.83 0.00 0.00 0.00 174.94 175.53 3kyd s GLY 28 N 1.06 1.72 0.50 6.18 0.00 -0.35 -1.17 107.32 115.26 3kyd s GLY 28 Ca 0.04 -1.14 0.15 0.00 0.00 0.00 0.00 44.72 43.78 3kyd s GLY 28 CO 0.03 -0.64 2.10 1.46 0.00 0.00 0.00 173.10 176.05 3kyd h GLN 29 N -0.75 0.00 -0.91 2.90 4.20 -1.87 -2.42 115.11 116.26 3kyd h GLN 29 Ca -0.43 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.16 3kyd h GLN 29 Cb 1.29 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.00 3kyd h GLN 29 CO 0.52 0.06 0.16 -0.40 -0.67 0.00 0.00 178.83 178.50 3kyd n ASP 30 N -4.48 3.26 0.00 1.46 5.75 -1.26 -4.85 116.55 116.44 3kyd n ASP 30 Ca -0.03 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 3kyd n ASP 30 Cb 0.14 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 3kyd n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3kyd n SER 31 N 0.00 0.00 -4.71 -1.12 7.64 -0.91 -4.97 113.62 109.56 3kyd n SER 31 Ca 0.20 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.71 3kyd n SER 31 Cb 0.87 -1.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.74 3kyd n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3kyd n SER 32 N 0.00 1.86 -3.75 6.43 3.41 -1.26 -4.77 113.62 115.54 3kyd n SER 32 Ca 0.00 0.83 -0.16 0.00 -0.26 0.00 0.00 58.87 59.29 3kyd n SER 32 Cb 0.00 -1.53 -0.16 0.00 -0.26 0.00 0.00 64.21 62.26 3kyd n SER 32 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kyd s GLU 33 N -3.23 -0.04 -0.05 4.33 2.12 -1.26 -1.21 118.70 119.37 3kyd s GLU 33 Ca 0.81 0.22 0.04 0.00 0.36 0.00 0.00 54.97 56.40 3kyd s GLU 33 Cb -0.39 -0.29 -0.00 0.00 0.26 0.00 0.00 34.13 33.71 3kyd s GLU 33 CO 0.42 -0.19 -0.17 0.42 -0.54 0.00 0.00 175.26 175.20 3kyd s ILE 34 N 1.25 1.40 -0.17 -3.70 1.01 -0.70 -5.00 121.20 115.29 3kyd s ILE 34 Ca -0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 3kyd s ILE 34 Cb -0.13 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3kyd s ILE 34 CO -0.03 0.41 0.15 -1.00 0.00 0.00 0.00 174.94 174.47 3kyd s HIS 35 N 0.14 3.47 0.03 3.97 3.76 -1.26 -0.93 115.29 124.48 3kyd s HIS 35 Ca -0.06 0.42 0.09 0.00 -0.15 0.00 0.00 55.06 55.36 3kyd s HIS 35 Cb -0.12 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 3kyd s HIS 35 CO 0.03 0.42 -0.25 -0.06 -0.85 0.00 0.00 174.74 174.02 3kyd s PHE 36 N -0.05 2.36 -0.30 1.40 0.08 -0.26 -4.97 117.98 116.23 3kyd s PHE 36 Ca 0.11 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 3kyd s PHE 36 Cb -0.12 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3kyd s PHE 36 CO 0.00 0.11 -0.01 0.15 -0.10 0.00 0.00 175.22 175.37 3kyd s LYS 37 N -1.12 2.40 0.01 0.44 1.02 -1.26 0.32 119.74 121.55 3kyd s LYS 37 Ca 0.12 -1.29 0.05 0.00 0.02 0.00 0.00 55.97 54.86 3kyd s LYS 37 Cb -0.10 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3kyd s LYS 37 CO 0.02 -0.63 -0.14 0.08 -0.92 0.00 0.00 175.35 173.76 3kyd s VAL 38 N 1.23 1.14 0.21 3.17 1.01 -0.81 -4.97 120.40 121.38 3kyd s VAL 38 Ca -0.05 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3kyd s VAL 38 Cb -0.20 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 3kyd s VAL 38 CO -0.02 0.17 1.45 -0.75 0.00 0.00 0.00 175.10 175.96 3kyd s LYS 39 N -0.73 4.27 0.58 2.72 2.20 -1.26 -2.42 119.74 125.11 3kyd s LYS 39 Ca 0.04 2.26 0.36 0.00 -0.36 0.00 0.00 55.97 58.26 3kyd s LYS 39 Cb -0.07 -3.15 1.69 0.00 -1.51 0.00 0.00 37.83 34.79 3kyd s LYS 39 CO 0.00 -0.45 2.11 0.52 -0.36 0.00 0.00 175.35 177.18 3kyd h MET 40 N 5.71 0.00 0.00 4.03 2.86 -1.94 -2.24 114.93 123.34 3kyd h MET 40 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3kyd h MET 40 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3kyd h MET 40 CO 0.82 0.03 -0.98 0.25 1.06 0.00 0.00 176.91 178.09 3kyd n THR 41 N -3.20 0.03 -2.59 2.22 -2.24 -1.26 -1.85 114.28 105.39 3kyd n THR 41 Ca -0.01 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3kyd n THR 41 Cb 0.23 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 3kyd n THR 41 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kyd s THR 42 N -3.07 4.10 0.48 4.28 2.01 -0.85 -4.94 115.64 117.65 3kyd s THR 42 Ca 0.07 1.79 -0.24 0.00 0.31 0.00 0.00 61.69 63.62 3kyd s THR 42 Cb 0.16 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 3kyd s THR 42 CO 0.83 0.30 1.30 1.41 -0.69 0.00 0.00 174.62 177.76 3kyd n HIS 43 N 2.53 2.16 1.77 4.92 8.25 -1.26 -4.44 115.22 129.15 3kyd n HIS 43 Ca 0.03 0.46 0.15 0.00 -0.26 0.00 0.00 57.72 58.10 3kyd n HIS 43 Cb 0.47 -2.36 0.87 0.00 1.12 0.00 0.00 29.99 30.09 3kyd n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kyd n LEU 44 N -0.35 0.00 -0.23 2.41 4.77 0.32 -3.34 117.00 120.59 3kyd n LEU 44 Ca 0.08 0.10 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 3kyd n LEU 44 Cb 0.42 -0.10 0.34 0.00 -2.33 0.00 0.00 43.42 41.74 3kyd n LEU 44 CO 0.56 -0.00 1.22 0.50 -1.33 0.00 0.00 177.39 178.35 3kyd h LYS 45 N 0.00 0.77 -0.61 3.23 3.64 -1.62 -1.75 116.57 120.23 3kyd h LYS 45 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3kyd h LYS 45 Cb 0.10 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kyd h LYS 45 CO 0.00 0.51 0.24 0.87 -2.27 0.00 0.00 179.45 178.80 3kyd h LYS 46 N 0.79 0.92 -0.65 1.90 1.79 -1.85 0.23 116.57 119.70 3kyd h LYS 46 Ca 0.36 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 3kyd h LYS 46 Cb 0.35 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3kyd h LYS 46 CO -0.13 0.78 0.12 1.25 -1.08 0.00 0.00 179.45 180.39 3kyd h LEU 47 N 0.86 1.01 -0.24 2.94 6.46 -1.64 -1.50 115.31 123.20 3kyd h LEU 47 Ca 0.20 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 3kyd h LEU 47 Cb 0.21 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 3kyd h LEU 47 CO -0.02 1.01 -0.07 0.11 -0.62 0.00 0.00 178.44 178.85 3kyd h LYS 48 N 0.98 0.47 0.00 1.25 1.57 -1.13 -1.44 116.57 118.27 3kyd h LYS 48 Ca 0.20 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3kyd h LYS 48 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3kyd h LYS 48 CO 0.01 0.71 -0.43 1.05 -0.57 0.00 0.00 179.45 180.22 3kyd h GLU 49 N 0.21 0.00 -0.12 3.15 4.11 -0.93 -0.14 114.58 120.87 3kyd h GLU 49 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.43 3kyd h GLU 49 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3kyd h GLU 49 CO 0.03 0.43 -0.18 1.03 0.07 0.00 0.00 179.01 180.39 3kyd h SER 50 N 0.00 0.36 -0.58 3.06 0.87 -1.21 -2.28 113.55 113.78 3kyd h SER 50 Ca -0.00 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 59.96 3kyd h SER 50 Cb 0.87 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3kyd h SER 50 CO 0.06 0.82 0.08 0.22 -0.53 0.00 0.00 176.83 177.47 3kyd h TYR 51 N -0.08 1.03 -0.81 2.24 3.20 -1.10 -2.27 116.97 119.18 3kyd h TYR 51 Ca 0.01 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3kyd h TYR 51 Cb 0.74 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3kyd h TYR 51 CO 0.10 0.91 0.49 0.00 -1.64 0.00 0.00 178.16 178.01 3kyd h GLN 53 N 1.12 0.06 -0.05 0.00 1.08 -1.19 -0.19 115.11 115.94 3kyd h GLN 53 Ca 0.29 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 57.25 3kyd h GLN 53 Cb -0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3kyd h GLN 53 CO -0.06 0.41 -0.87 -0.09 -0.95 0.00 0.00 178.83 177.27 3kyd h ARG 54 N 0.05 0.53 0.00 1.46 9.65 -0.79 -3.15 114.38 122.12 3kyd h ARG 54 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3kyd h ARG 54 Cb 0.65 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3kyd h ARG 54 CO 0.05 1.13 -0.21 1.04 2.80 0.00 0.00 179.97 184.78 3kyd n GLN 55 N -3.82 0.20 -2.99 0.20 3.00 -0.68 -4.96 117.38 108.33 3kyd n GLN 55 Ca -0.07 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3kyd n GLN 55 Cb 0.79 -1.69 0.04 0.00 0.00 0.00 0.00 30.24 29.38 3kyd n GLN 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kyd n GLY 56 N 1.37 0.25 3.24 1.08 0.00 -0.32 -5.05 105.19 105.75 3kyd n GLY 56 Ca 0.05 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 3kyd n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kyd s VAL 57 N -3.15 1.40 1.00 1.61 -7.23 -0.24 -5.03 120.40 108.77 3kyd s VAL 57 Ca 0.26 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 3kyd s VAL 57 Cb -0.11 -1.41 0.19 0.00 0.56 0.00 0.00 36.38 35.61 3kyd s VAL 57 CO 0.34 -0.25 1.09 -2.84 -0.31 0.00 0.00 175.10 173.13 3kyd s PRO 58 N -2.16 0.35 0.18 4.82 0.02 -1.26 -4.41 135.00 132.53 3kyd s PRO 58 Ca 0.05 1.09 -0.14 0.00 0.02 0.00 0.00 61.00 62.03 3kyd s PRO 58 Cb -0.08 -1.68 0.12 0.00 0.02 0.00 0.00 34.50 32.87 3kyd s PRO 58 CO 0.03 -2.94 1.79 1.98 -0.33 0.00 0.00 177.00 177.53 3kyd h MET 59 N -2.07 0.47 -0.88 5.54 1.85 -1.96 -2.74 114.93 115.14 3kyd h MET 59 Ca -0.52 -0.03 -0.37 0.00 -0.61 0.00 0.00 59.70 58.17 3kyd h MET 59 Cb 1.30 -0.11 -0.22 0.00 0.43 0.00 0.00 31.60 33.00 3kyd h MET 59 CO 0.48 0.31 0.47 0.09 -0.40 0.00 0.00 176.91 177.86 3kyd n ASN 60 N -4.89 4.31 0.08 1.39 3.02 -1.26 -4.44 115.26 113.47 3kyd n ASN 60 Ca 0.04 -3.41 0.10 0.00 -0.03 0.00 0.00 54.58 51.27 3kyd n ASN 60 Cb 0.12 -0.80 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3kyd n ASN 60 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kyd n SER 61 N -0.64 0.73 -4.49 6.41 3.41 -1.03 -4.92 113.62 113.09 3kyd n SER 61 Ca 0.51 0.29 -0.23 0.00 -0.26 0.00 0.00 58.87 59.17 3kyd n SER 61 Cb 1.54 0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 66.00 3kyd n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kyd s LEU 62 N -5.31 2.51 -0.04 1.04 1.43 -1.26 -4.53 118.68 112.52 3kyd s LEU 62 Ca -0.02 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 51.86 3kyd s LEU 62 Cb 0.10 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 3kyd s LEU 62 CO 0.81 -0.42 -0.21 0.00 0.23 0.00 0.00 176.35 176.75 3kyd s ARG 63 N -3.76 2.07 -0.23 1.70 1.70 -0.55 -4.99 118.95 114.89 3kyd s ARG 63 Ca 0.33 -0.77 -0.04 0.00 -0.47 0.00 0.00 55.73 54.78 3kyd s ARG 63 Cb 0.06 -1.82 -0.01 0.00 -0.57 0.00 0.00 34.95 32.61 3kyd s ARG 63 CO 0.15 0.35 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.64 3kyd s PHE 64 N -0.18 2.99 -0.01 5.89 0.40 -1.26 -1.20 117.98 124.61 3kyd s PHE 64 Ca -0.01 -0.92 0.04 0.00 -0.60 0.00 0.00 56.93 55.44 3kyd s PHE 64 Cb -0.12 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 3kyd s PHE 64 CO 0.02 -0.54 -0.10 -0.51 0.70 0.00 0.00 175.22 174.78 3kyd s LEU 65 N 1.49 2.98 -0.07 -0.37 1.43 0.16 -0.17 118.68 124.13 3kyd s LEU 65 Ca 0.05 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3kyd s LEU 65 Cb -0.15 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3kyd s LEU 65 CO -0.02 0.30 -0.05 0.12 0.23 0.00 0.00 176.35 176.93 3kyd s PHE 66 N -0.91 0.95 -1.32 0.29 5.36 0.48 -1.16 117.98 121.66 3kyd s PHE 66 Ca 0.15 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.69 3kyd s PHE 66 Cb -0.11 -0.85 0.07 0.00 -0.34 0.00 0.00 43.02 41.79 3kyd s PHE 66 CO 0.05 -0.29 0.52 0.39 -1.46 0.00 0.00 175.22 174.43 3kyd n GLU 67 N 4.45 -3.54 -0.09 10.12 -0.58 -1.26 -1.00 120.64 128.75 3kyd n GLU 67 Ca -0.18 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3kyd n GLU 67 Cb 0.51 -5.23 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 3kyd n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kyd n GLY 68 N -1.22 2.52 3.81 0.62 0.00 -1.26 -5.02 105.19 104.65 3kyd n GLY 68 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3kyd n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kyd s GLN 69 N -0.10 4.14 -0.02 1.61 -0.21 -0.17 -5.01 119.66 119.90 3kyd s GLN 69 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.36 55.73 3kyd s GLN 69 Cb 0.00 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.72 3kyd s GLN 69 CO 0.00 0.63 1.37 0.50 -2.12 0.00 0.00 175.29 175.68 3kyd s ARG 70 N -1.04 4.29 -0.49 2.91 3.52 -1.26 -0.39 118.95 126.49 3kyd s ARG 70 Ca 0.28 1.92 -0.29 0.00 -0.13 0.00 0.00 55.73 57.51 3kyd s ARG 70 Cb -0.19 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3kyd s ARG 70 CO 0.17 -0.57 1.13 0.42 -0.81 0.00 0.00 175.30 175.65 3kyd s ILE 71 N 2.46 4.20 0.59 4.11 1.01 0.77 -4.93 121.20 129.40 3kyd s ILE 71 Ca 0.63 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 62.30 3kyd s ILE 71 Cb -0.30 -4.61 -0.05 0.00 0.01 0.00 0.00 42.46 37.51 3kyd s ILE 71 CO 0.25 -1.05 1.01 0.00 0.00 0.00 0.00 174.94 175.16 3kyd s ALA 72 N 4.48 3.10 0.28 9.38 0.00 -1.26 -4.77 121.76 132.97 3kyd s ALA 72 Ca 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3kyd s ALA 72 Cb -0.07 -3.08 0.58 0.00 0.00 0.00 0.00 23.12 20.55 3kyd s ALA 72 CO 0.31 -0.56 1.78 -0.44 0.00 0.00 0.00 175.76 176.85 3kyd h ASP 73 N 0.01 0.68 -0.34 0.00 5.19 -1.95 -1.35 116.42 118.65 3kyd h ASP 73 Ca -0.45 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3kyd h ASP 73 Cb 1.19 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3kyd h ASP 73 CO 0.62 0.30 0.00 0.59 -3.12 0.00 0.00 179.24 177.62 3kyd n ASN 74 N -4.79 2.10 -4.78 6.45 4.13 -1.26 -1.93 115.26 115.19 3kyd n ASN 74 Ca 0.19 -1.92 -0.36 0.00 1.68 0.00 0.00 54.58 54.16 3kyd n ASN 74 Cb 0.44 -0.23 -0.04 0.00 -1.54 0.00 0.00 39.78 38.42 3kyd n ASN 74 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3kyd s HIS 75 N -1.55 3.20 0.16 3.10 3.76 -0.51 -4.79 115.29 118.67 3kyd s HIS 75 Ca 0.29 1.62 0.08 0.00 -0.15 0.00 0.00 55.06 56.91 3kyd s HIS 75 Cb 0.15 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 3kyd s HIS 75 CO 0.21 -0.75 -0.17 0.95 -0.85 0.00 0.00 174.74 174.13 3kyd s THR 76 N -1.66 1.73 0.34 1.30 -4.23 -1.26 0.12 115.64 111.97 3kyd s THR 76 Ca 0.59 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 3kyd s THR 76 Cb -0.22 -1.83 0.29 0.00 1.34 0.00 0.00 72.50 72.08 3kyd s THR 76 CO 0.28 -0.38 1.93 -0.65 -0.54 0.00 0.00 174.62 175.26 3kyd h PRO 77 N 3.18 0.82 -0.22 3.99 0.11 -1.76 -1.92 132.00 136.20 3kyd h PRO 77 Ca -0.41 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3kyd h PRO 77 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3kyd h PRO 77 CO 0.53 0.54 0.09 -0.22 -0.21 0.00 0.00 178.00 178.73 3kyd h LYS 78 N 0.85 0.33 0.00 1.05 3.64 -1.69 0.17 116.57 120.91 3kyd h LYS 78 Ca 0.36 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3kyd h LYS 78 Cb 0.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kyd h LYS 78 CO -0.13 0.37 -0.26 0.93 -2.27 0.00 0.00 179.45 178.09 3kyd h GLU 79 N 0.21 0.00 -0.73 1.90 5.08 -1.75 -2.61 114.58 116.68 3kyd h GLU 79 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kyd h GLU 79 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kyd h GLU 79 CO -0.01 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 3kyd n LEU 80 N -4.20 4.09 -3.93 1.33 4.77 -0.75 -4.97 117.00 113.34 3kyd n LEU 80 Ca -0.02 -2.05 -0.28 0.00 -0.03 0.00 0.00 56.01 53.63 3kyd n LEU 80 Cb 0.32 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3kyd n LEU 80 CO 0.37 0.96 -0.04 0.61 -1.33 0.00 0.00 177.39 177.96 3kyd n GLY 81 N 1.59 -0.37 3.72 -0.72 0.00 -0.41 -4.92 105.19 104.08 3kyd n GLY 81 Ca 0.25 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 3kyd n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kyd s MET 82 N -6.51 4.56 0.49 1.61 -1.94 0.47 -5.03 119.30 112.94 3kyd s MET 82 Ca 0.36 1.62 0.04 0.00 -1.71 0.00 0.00 55.69 56.00 3kyd s MET 82 Cb -0.19 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.32 3kyd s MET 82 CO 0.86 -0.03 0.69 -1.21 -0.01 0.00 0.00 175.02 175.32 3kyd s GLU 83 N 0.41 2.69 0.18 2.03 0.41 -1.26 -4.85 118.70 118.31 3kyd s GLU 83 Ca 0.52 -0.93 -0.32 0.00 -0.41 0.00 0.00 54.97 53.84 3kyd s GLU 83 Cb -0.27 -2.60 -0.11 0.00 -1.78 0.00 0.00 34.13 29.38 3kyd s GLU 83 CO 0.31 -0.51 1.62 -2.00 -0.49 0.00 0.00 175.26 174.19 3kyd s GLU 84 N -4.59 4.18 -0.22 1.61 2.56 -1.26 -2.85 118.70 118.13 3kyd s GLU 84 Ca 0.56 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.97 3kyd s GLU 84 Cb -0.10 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.90 3kyd s GLU 84 CO 0.36 -0.66 0.00 -1.91 -0.56 0.00 0.00 175.26 172.49 3kyd n GLU 85 N 3.99 -0.42 -1.91 4.30 4.07 -0.31 -5.02 120.64 125.34 3kyd n GLU 85 Ca 0.15 0.35 -0.35 0.00 -0.06 0.00 0.00 57.16 57.24 3kyd n GLU 85 Cb 0.37 -3.85 0.04 0.00 -0.06 0.00 0.00 31.44 27.95 3kyd n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3kyd s ASP 86 N -2.39 5.11 -0.19 4.31 -0.00 -1.13 -4.55 116.67 117.82 3kyd s ASP 86 Ca 0.00 2.25 -0.11 0.00 -0.00 0.00 0.00 52.55 54.69 3kyd s ASP 86 Cb 0.00 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 3kyd s ASP 86 CO 0.00 -1.64 0.17 -0.69 -0.00 0.00 0.00 175.17 173.00 3kyd s VAL 87 N -1.86 5.39 -0.18 -1.27 1.01 -1.26 -1.43 120.40 120.79 3kyd s VAL 87 Ca 0.74 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 3kyd s VAL 87 Cb -0.27 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3kyd s VAL 87 CO 0.36 0.43 0.06 -0.63 0.00 0.00 0.00 175.10 175.32 3kyd s ILE 88 N 0.37 4.75 -0.18 2.22 1.01 0.14 -4.70 121.20 124.80 3kyd s ILE 88 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3kyd s ILE 88 Cb -0.11 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 3kyd s ILE 88 CO -0.01 0.45 0.16 -1.61 0.00 0.00 0.00 174.94 173.94 3kyd s GLU 89 N 0.43 4.07 -0.12 2.79 2.02 -0.31 -0.74 118.70 126.84 3kyd s GLU 89 Ca 0.03 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 3kyd s GLU 89 Cb -0.13 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3kyd s GLU 89 CO 0.01 0.38 0.04 0.08 0.02 0.00 0.00 175.26 175.78 3kyd s VAL 90 N 0.12 4.63 -0.03 2.63 1.01 -0.32 -0.67 120.40 127.77 3kyd s VAL 90 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3kyd s VAL 90 Cb -0.12 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3kyd s VAL 90 CO 0.00 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.22 3kyd s TYR 91 N -0.50 1.35 -0.05 5.22 1.51 -0.34 -3.26 117.35 121.28 3kyd s TYR 91 Ca 0.10 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 3kyd s TYR 91 Cb -0.12 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.83 3kyd s TYR 91 CO 0.02 -0.11 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.14 3kyd s GLN 92 N 0.03 1.04 0.27 -0.62 0.74 -1.26 -1.49 119.66 118.37 3kyd s GLN 92 Ca -0.02 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 3kyd s GLN 92 Cb -0.09 -0.96 -0.10 0.00 1.10 0.00 0.00 33.01 32.96 3kyd s GLN 92 CO 0.01 -0.03 1.37 -2.00 -0.55 0.00 0.00 175.29 174.09 3kyd s GLU 93 N 0.74 4.32 -0.19 1.67 2.12 -1.26 -5.02 118.70 121.08 3kyd s GLU 93 Ca -0.11 2.22 -0.08 0.00 0.36 0.00 0.00 54.97 57.36 3kyd s GLU 93 Cb -0.14 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3kyd s GLU 93 CO 0.01 -0.31 0.09 -0.65 -0.54 0.00 0.00 175.26 173.86 3kyd s GLN 94 N -0.81 4.04 0.00 4.30 -1.52 -1.26 -4.99 119.66 119.42 3kyd s GLN 94 Ca 0.55 -0.31 0.23 0.00 -1.95 0.00 0.00 55.36 53.89 3kyd s GLN 94 Cb -0.40 -3.30 0.14 0.00 -0.22 0.00 0.00 33.01 29.23 3kyd s GLN 94 CO 0.46 0.26 1.20 0.00 -0.25 0.00 0.00 175.29 176.95