#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ILE 4 N 0.00 3.16 0.33 -0.18 1.01 -1.03 -2.23 121.20 122.25 3huw s ILE 4 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 3huw s ILE 4 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.23 3huw s ILE 4 CO 0.00 -0.26 0.69 -0.60 0.00 0.00 0.00 174.94 174.77 3huw s ARG 5 N -5.00 1.96 -0.09 2.79 3.52 -1.13 -0.92 118.95 120.08 3huw s ARG 5 Ca 0.56 -1.31 -0.04 0.00 -0.13 0.00 0.00 55.73 54.80 3huw s ARG 5 Cb -0.11 0.58 0.04 0.00 -1.56 0.00 0.00 34.95 33.91 3huw s ARG 5 CO 0.43 -0.89 0.20 0.96 -0.81 0.00 0.00 175.30 175.20 3huw s ILE 6 N -3.15 -0.08 -0.54 4.11 -4.36 0.53 -4.01 121.20 113.69 3huw s ILE 6 Ca 0.17 0.18 -0.15 0.00 -0.26 0.00 0.00 60.65 60.59 3huw s ILE 6 Cb -0.04 -0.33 0.13 0.00 1.25 0.00 0.00 42.46 43.47 3huw s ILE 6 CO 0.11 0.08 0.49 -0.54 0.24 0.00 0.00 174.94 175.31 3huw s LYS 7 N 1.38 2.93 -0.56 0.37 -0.14 -1.11 -2.42 119.74 120.20 3huw s LYS 7 Ca -0.08 -1.75 -0.19 0.00 -1.36 0.00 0.00 55.97 52.59 3huw s LYS 7 Cb -0.11 -4.25 0.08 0.00 -1.68 0.00 0.00 37.83 31.87 3huw s LYS 7 CO -0.07 -1.31 0.69 -0.51 -0.76 0.00 0.00 175.35 173.39 3huw s LEU 8 N 1.51 5.13 0.00 3.17 1.43 -0.48 -2.96 118.68 126.48 3huw s LEU 8 Ca 0.04 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 3huw s LEU 8 Cb -0.29 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.55 3huw s LEU 8 CO 0.02 -1.05 0.00 0.54 0.23 0.00 0.00 176.35 176.09 3huw n ARG 9 N 6.37 2.59 0.00 1.70 1.74 -1.22 -0.45 116.66 127.39 3huw n ARG 9 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3huw n ARG 9 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 3huw n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huw n GLY 10 N 5.00 -0.90 0.98 -0.13 0.00 -1.12 -3.46 105.19 105.55 3huw n GLY 10 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3huw n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huw n PHE 11 N 0.00 0.00 -2.39 1.61 0.99 -1.26 -2.30 117.46 114.11 3huw n PHE 11 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 3huw n PHE 11 Cb 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 39.48 38.48 3huw n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3huw s ASP 12 N -4.90 7.04 0.11 4.37 3.68 -1.26 -4.13 116.67 121.57 3huw s ASP 12 Ca 0.00 2.06 0.24 0.00 2.13 0.00 0.00 52.55 56.97 3huw s ASP 12 Cb 0.00 -2.58 0.93 0.00 -1.45 0.00 0.00 42.92 39.82 3huw s ASP 12 CO 0.00 -0.50 1.73 0.00 0.13 0.00 0.00 175.17 176.53 3huw n HIS 13 N 3.97 0.40 0.03 -5.34 1.44 -1.26 -1.56 115.22 112.89 3huw n HIS 13 Ca 0.09 0.13 0.04 0.00 -2.01 0.00 0.00 57.72 55.98 3huw n HIS 13 Cb 0.46 -0.72 -0.08 0.00 0.12 0.00 0.00 29.99 29.77 3huw n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3huw n LYS 14 N -1.84 0.63 -0.07 -1.40 5.02 -1.26 -3.31 118.16 115.93 3huw n LYS 14 Ca 0.05 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.22 3huw n LYS 14 Cb 0.30 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 3huw n LYS 14 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3huw h THR 15 N 0.00 0.88 0.00 -0.18 1.35 -1.95 -2.77 112.91 110.24 3huw h THR 15 Ca -0.13 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3huw h THR 15 Cb 1.40 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3huw h THR 15 CO 0.02 0.48 0.00 -0.11 -0.25 0.00 0.00 175.52 175.66 3huw n LEU 16 N -4.19 0.00 -0.03 3.87 -0.00 -0.60 -2.37 117.00 113.68 3huw n LEU 16 Ca -0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.63 3huw n LEU 16 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.17 3huw n LEU 16 CO 0.26 0.00 -0.52 -0.67 -0.00 0.00 0.00 177.39 176.46 3huw n ASP 17 N -0.66 1.33 -0.06 1.96 2.03 -1.21 -3.99 116.55 115.95 3huw n ASP 17 Ca 0.02 0.21 -0.05 0.00 0.52 0.00 0.00 54.79 55.49 3huw n ASP 17 Cb 0.01 -0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.89 3huw n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3huw h ALA 18 N -0.47 -0.48 -0.83 -1.67 0.00 -1.16 0.19 119.26 114.83 3huw h ALA 18 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3huw h ALA 18 Cb 0.73 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 3huw h ALA 18 CO -0.06 -0.58 0.55 0.66 0.00 0.00 0.00 179.25 179.82 3huw h SER 19 N -0.15 0.93 -0.71 0.00 4.64 -1.82 -0.22 113.55 116.22 3huw h SER 19 Ca 0.03 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.46 3huw h SER 19 Cb 0.23 -0.23 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 3huw h SER 19 CO -0.23 0.66 -0.30 0.00 -0.87 0.00 0.00 176.83 176.09 3huw h ALA 20 N 1.49 0.16 0.00 5.18 0.00 -0.86 0.29 119.26 125.52 3huw h ALA 20 Ca 0.31 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.30 3huw h ALA 20 Cb -0.07 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3huw h ALA 20 CO -0.08 -0.59 -0.99 0.37 0.00 0.00 0.00 179.25 177.97 3huw h GLN 21 N -0.09 0.00 0.22 0.00 4.15 -0.77 -3.35 115.11 115.27 3huw h GLN 21 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3huw h GLN 21 Cb 0.56 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 3huw h GLN 21 CO -0.76 0.44 -0.50 -0.22 -1.93 0.00 0.00 178.83 175.85 3huw h LYS 22 N 0.00 -0.76 -2.94 1.69 3.11 0.11 -2.42 116.57 115.36 3huw h LYS 22 Ca -0.08 0.05 -0.61 0.00 -2.81 0.00 0.00 60.65 57.20 3huw h LYS 22 Cb 1.52 0.17 0.02 0.00 -1.00 0.00 0.00 32.23 32.94 3huw h LYS 22 CO 0.06 -0.51 3.44 -0.89 -2.81 0.00 0.00 179.45 178.74 3huw n ILE 23 N -5.36 4.11 -0.49 2.00 5.41 0.73 -2.90 119.36 122.85 3huw n ILE 23 Ca -0.09 -2.42 0.00 0.00 1.00 0.00 0.00 62.75 61.23 3huw n ILE 23 Cb 0.41 -2.54 0.00 0.00 -0.71 0.00 0.00 39.64 36.80 3huw n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3huw n VAL 24 N 3.52 0.00 -0.04 1.39 0.31 -0.91 -4.89 118.33 117.70 3huw n VAL 24 Ca 0.74 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 65.00 3huw n VAL 24 Cb 0.28 0.65 -0.04 0.00 -0.91 0.00 0.00 33.84 33.82 3huw n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3huw n GLU 25 N 0.00 0.21 0.00 5.55 1.02 -1.14 -3.64 120.64 122.63 3huw n GLU 25 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3huw n GLU 25 Cb 0.02 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3huw n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3huw n ALA 26 N -3.00 2.00 0.00 0.62 0.00 -1.26 -1.57 120.51 117.31 3huw n ALA 26 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3huw n ALA 26 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3huw n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw n ALA 27 N -0.16 1.53 0.58 0.00 0.00 -1.26 -3.83 120.51 117.38 3huw n ALA 27 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3huw n ALA 27 Cb 0.07 0.13 0.40 0.00 0.00 0.00 0.00 19.45 20.05 3huw n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw h ARG 28 N 0.00 0.00 0.00 0.00 3.08 -1.36 -1.84 114.38 114.26 3huw h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3huw h ARG 28 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3huw h ARG 28 CO 0.00 0.00 -0.63 -2.13 -1.07 0.00 0.00 179.97 176.14 3huw n ARG 29 N -2.32 0.40 -0.19 0.04 0.63 -0.65 -4.50 116.66 110.07 3huw n ARG 29 Ca 0.05 0.32 0.02 0.00 -0.92 0.00 0.00 57.85 57.33 3huw n ARG 29 Cb 0.42 -1.39 0.29 0.00 0.45 0.00 0.00 32.46 32.22 3huw n ARG 29 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3huw h SER 30 N -0.82 0.79 -1.93 6.15 4.64 -1.66 -3.44 113.55 117.28 3huw h SER 30 Ca 0.00 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.69 3huw h SER 30 Cb 0.63 -0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 62.40 3huw h SER 30 CO 0.00 0.55 -0.67 -0.83 -0.87 0.00 0.00 176.83 175.01 3huw s GLY 31 N -3.44 2.19 0.06 -0.77 0.00 -0.69 -3.96 107.32 100.71 3huw s GLY 31 Ca -0.10 -2.08 -0.12 0.00 0.00 0.00 0.00 44.72 42.41 3huw s GLY 31 CO 0.78 -2.02 0.61 0.00 0.00 0.00 0.00 173.10 172.47 3huw n ALA 32 N -0.82 -0.25 -3.83 3.20 0.00 -1.26 -4.43 120.51 113.12 3huw n ALA 32 Ca -0.05 0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 3huw n ALA 32 Cb 0.63 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.05 3huw n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3huw s GLN 33 N -5.11 1.05 -0.26 0.00 -0.21 -1.26 -4.85 119.66 109.02 3huw s GLN 33 Ca -0.05 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 3huw s GLN 33 Cb 0.04 0.31 0.13 0.00 1.00 0.00 0.00 33.01 34.49 3huw s GLN 33 CO 0.24 -0.49 0.31 0.08 -2.12 0.00 0.00 175.29 173.32 3huw s VAL 34 N -2.44 -0.47 -0.29 1.09 1.01 -1.26 -2.97 120.40 115.07 3huw s VAL 34 Ca 0.19 -0.27 -0.36 0.00 0.00 0.00 0.00 61.98 61.54 3huw s VAL 34 Cb -0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.38 3huw s VAL 34 CO 0.03 -0.30 2.06 -1.54 0.00 0.00 0.00 175.10 175.35 3huw n SER 35 N 5.33 2.42 -2.39 3.32 3.41 -1.25 -4.86 113.62 119.60 3huw n SER 35 Ca -0.03 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3huw n SER 35 Cb 0.48 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 3huw n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huw n GLY 36 N 5.77 0.00 3.55 5.00 0.00 -1.26 -2.92 105.19 115.33 3huw n GLY 36 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3huw n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3huw s PRO 37 N -0.22 3.12 -0.45 1.61 0.02 -1.26 -4.39 135.00 133.43 3huw s PRO 37 Ca 0.00 -0.19 -0.14 0.00 0.02 0.00 0.00 61.00 60.69 3huw s PRO 37 Cb 0.00 -4.36 0.07 0.00 0.02 0.00 0.00 34.50 30.22 3huw s PRO 37 CO 0.00 -2.29 0.35 0.96 -0.33 0.00 0.00 177.00 175.69 3huw s ILE 38 N 6.33 4.95 -0.32 2.83 -4.36 0.41 -4.93 121.20 126.10 3huw s ILE 38 Ca 0.42 -1.11 -0.29 0.00 -0.26 0.00 0.00 60.65 59.41 3huw s ILE 38 Cb -0.08 -3.95 0.01 0.00 1.25 0.00 0.00 42.46 39.69 3huw s ILE 38 CO 0.13 -0.53 1.20 -2.16 0.24 0.00 0.00 174.94 173.82 3huw s PRO 39 N 1.59 3.95 -0.05 0.37 0.04 -1.26 0.30 135.00 139.94 3huw s PRO 39 Ca 0.04 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 3huw s PRO 39 Cb -0.23 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 3huw s PRO 39 CO 0.06 -1.06 0.87 -0.48 0.04 0.00 0.00 177.00 176.43 3huw s LEU 40 N 4.11 4.32 -0.02 -3.56 2.34 -1.26 -4.88 118.68 119.73 3huw s LEU 40 Ca 0.51 1.44 -0.16 0.00 0.06 0.00 0.00 54.13 55.99 3huw s LEU 40 Cb -0.14 -3.37 -0.08 0.00 -0.56 0.00 0.00 46.19 42.04 3huw s LEU 40 CO 0.21 -0.24 0.43 -0.81 -1.06 0.00 0.00 176.35 174.88 3huw n PRO 41 N 4.07 0.00 -2.08 1.48 -0.04 -1.26 -4.10 135.00 133.07 3huw n PRO 41 Ca 0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 3huw n PRO 41 Cb 0.51 -0.58 -0.01 0.00 -0.04 0.00 0.00 33.50 33.38 3huw n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3huw s THR 42 N 0.12 2.67 -0.66 0.52 2.01 -1.26 -4.77 115.64 114.27 3huw s THR 42 Ca 0.35 0.62 -0.24 0.00 0.31 0.00 0.00 61.69 62.74 3huw s THR 42 Cb -0.50 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 68.69 3huw s THR 42 CO 0.23 0.11 1.04 -0.13 -0.69 0.00 0.00 174.62 175.18 3huw s ARG 43 N -2.11 3.18 -0.11 4.92 1.81 -1.15 -4.93 118.95 120.56 3huw s ARG 43 Ca 0.54 -0.55 -0.29 0.00 -1.72 0.00 0.00 55.73 53.71 3huw s ARG 43 Cb -0.38 -4.18 -0.03 0.00 -0.45 0.00 0.00 34.95 29.91 3huw s ARG 43 CO 0.50 -1.83 1.43 0.08 -0.68 0.00 0.00 175.30 174.79 3huw s VAL 44 N 4.48 3.97 -0.63 3.52 1.01 -1.26 -3.17 120.40 128.31 3huw s VAL 44 Ca 0.27 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3huw s VAL 44 Cb -0.14 -3.76 0.18 0.00 0.00 0.00 0.00 36.38 32.66 3huw s VAL 44 CO 0.13 -0.10 0.50 -1.14 0.00 0.00 0.00 175.10 174.49 3huw n ARG 45 N 6.77 1.56 -2.86 2.72 0.00 -1.24 -4.99 116.66 118.61 3huw n ARG 45 Ca 0.15 -4.21 -0.40 0.00 -0.00 0.00 0.00 57.85 53.40 3huw n ARG 45 Cb 0.44 -2.12 -0.06 0.00 0.00 0.00 0.00 32.46 30.72 3huw n ARG 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3huw s ARG 46 N -1.29 4.71 -0.22 -0.14 0.52 -1.26 -0.71 118.95 120.56 3huw s ARG 46 Ca 0.29 1.33 -0.03 0.00 -0.52 0.00 0.00 55.73 56.79 3huw s ARG 46 Cb 0.01 -3.25 0.07 0.00 0.52 0.00 0.00 34.95 32.30 3huw s ARG 46 CO -0.15 0.54 0.07 -0.59 0.02 0.00 0.00 175.30 175.18 3huw s PHE 47 N -1.18 0.82 0.25 -0.53 -0.12 0.12 -4.93 117.98 112.41 3huw s PHE 47 Ca 0.39 -0.86 -0.30 0.00 -0.05 0.00 0.00 56.93 56.11 3huw s PHE 47 Cb -0.24 -1.03 -0.09 0.00 -0.63 0.00 0.00 43.02 41.03 3huw s PHE 47 CO 0.29 -0.66 0.99 0.99 -0.05 0.00 0.00 175.22 176.78 3huw s THR 48 N 1.93 3.88 -0.20 -4.49 2.01 -1.26 -3.03 115.64 114.47 3huw s THR 48 Ca 0.03 1.89 -0.10 0.00 0.31 0.00 0.00 61.69 63.82 3huw s THR 48 Cb -0.17 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.22 3huw s THR 48 CO -0.15 0.45 0.46 0.54 -0.69 0.00 0.00 174.62 175.22 3huw s VAL 49 N -1.18 -0.23 0.24 3.82 0.11 -1.26 -5.00 120.40 116.91 3huw s VAL 49 Ca 0.42 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.27 3huw s VAL 49 Cb -0.28 -0.70 -0.15 0.00 -1.53 0.00 0.00 36.38 33.73 3huw s VAL 49 CO 0.35 0.04 1.08 2.30 -3.33 0.00 0.00 175.10 175.54 3huw n ILE 50 N 4.62 1.53 0.28 7.04 -0.00 -1.26 -2.83 119.36 128.74 3huw n ILE 50 Ca -0.18 -0.38 -0.14 0.00 -0.00 0.00 0.00 62.75 62.04 3huw n ILE 50 Cb 0.54 -0.96 -0.07 0.00 -0.00 0.00 0.00 39.64 39.15 3huw n ILE 50 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3huw h ARG 51 N 2.62 -0.72 -7.11 6.28 3.08 -1.10 -3.44 114.38 113.99 3huw h ARG 51 Ca -0.41 0.05 -0.55 0.00 0.07 0.00 0.00 59.98 59.14 3huw h ARG 51 Cb 1.34 0.16 0.15 0.00 0.08 0.00 0.00 29.97 31.70 3huw h ARG 51 CO 0.65 -0.41 0.50 0.20 -1.07 0.00 0.00 179.97 179.83 3huw s GLY 52 N -2.55 2.80 0.40 0.04 0.00 -1.26 -4.94 107.32 101.81 3huw s GLY 52 Ca -0.14 1.14 0.23 0.00 0.00 0.00 0.00 44.72 45.95 3huw s GLY 52 CO 0.47 1.56 1.51 -0.56 0.00 0.00 0.00 173.10 176.07 3huw h PRO 53 N 0.59 0.00 0.00 2.90 0.13 -2.00 -3.43 132.00 130.18 3huw h PRO 53 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3huw h PRO 53 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3huw h PRO 53 CO 0.53 0.00 0.00 0.34 -0.23 0.00 0.00 178.00 178.64 3huw n PHE 54 N -3.02 0.00 -2.65 1.56 7.35 -1.26 -5.05 117.46 114.38 3huw n PHE 54 Ca 0.03 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.69 3huw n PHE 54 Cb 0.53 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.46 3huw n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 3huw n LYS 55 N -0.40 1.02 -2.47 -4.13 2.85 -1.26 -4.97 118.16 108.80 3huw n LYS 55 Ca 0.00 -1.17 -0.40 0.00 -1.05 0.00 0.00 58.31 55.69 3huw n LYS 55 Cb 0.00 0.19 0.02 0.00 -0.65 0.00 0.00 35.03 34.59 3huw n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3huw n HIS 56 N -0.97 2.90 0.00 5.58 8.25 -1.26 -4.89 115.22 124.83 3huw n HIS 56 Ca -0.12 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.75 3huw n HIS 56 Cb 0.80 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.77 3huw n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3huw n LYS 57 N -0.20 0.00 -3.60 -0.41 4.76 -1.26 -4.40 118.16 113.05 3huw n LYS 57 Ca 0.48 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.69 3huw n LYS 57 Cb 0.27 -0.59 -0.00 0.00 -1.84 0.00 0.00 35.03 32.86 3huw n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3huw s ASP 58 N -0.53 4.88 -0.24 4.39 1.01 -1.26 -4.86 116.67 120.05 3huw s ASP 58 Ca 0.00 -0.98 -0.03 0.00 0.71 0.00 0.00 52.55 52.25 3huw s ASP 58 Cb 0.00 0.02 0.01 0.00 1.01 0.00 0.00 42.92 43.96 3huw s ASP 58 CO 0.00 -0.98 0.06 -1.54 0.21 0.00 0.00 175.17 172.92 3huw n SER 59 N -1.78 -6.08 -3.55 0.27 3.41 -1.26 -4.55 113.62 100.09 3huw n SER 59 Ca 0.04 1.32 -0.29 0.00 -0.26 0.00 0.00 58.87 59.68 3huw n SER 59 Cb 0.63 -4.89 -0.12 0.00 -0.26 0.00 0.00 64.21 59.57 3huw n SER 59 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3huw s ARG 60 N -1.30 0.96 -0.48 4.33 0.52 -1.26 -0.61 118.95 121.12 3huw s ARG 60 Ca -0.07 -1.81 -0.33 0.00 -0.52 0.00 0.00 55.73 53.00 3huw s ARG 60 Cb 0.00 -1.78 -0.12 0.00 0.52 0.00 0.00 34.95 33.58 3huw s ARG 60 CO 0.70 -1.23 2.32 -1.91 0.02 0.00 0.00 175.30 175.19 3huw n GLU 61 N 3.53 0.91 -4.50 3.54 2.13 -1.13 -4.33 120.64 120.80 3huw n GLU 61 Ca 0.15 0.19 -0.34 0.00 0.66 0.00 0.00 57.16 57.82 3huw n GLU 61 Cb 0.38 -2.52 -0.11 0.00 0.27 0.00 0.00 31.44 29.46 3huw n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3huw s HIS 62 N 8.58 3.02 0.29 4.31 -3.43 -1.26 -4.09 115.29 122.71 3huw s HIS 62 Ca 1.11 -0.02 0.08 0.00 -0.80 0.00 0.00 55.06 55.44 3huw s HIS 62 Cb -0.78 -1.80 -0.06 0.00 -1.43 0.00 0.00 32.58 28.52 3huw s HIS 62 CO 0.44 0.27 -0.09 -0.59 -2.00 0.00 0.00 174.74 172.78 3huw s PHE 63 N -0.52 2.09 0.13 0.38 -0.00 -1.17 -4.95 117.98 113.95 3huw s PHE 63 Ca 0.08 -0.60 0.00 0.00 -0.00 0.00 0.00 56.93 56.41 3huw s PHE 63 Cb -0.12 -1.15 -0.00 0.00 -0.00 0.00 0.00 43.02 41.75 3huw s PHE 63 CO 0.02 0.41 0.00 -0.85 -0.00 0.00 0.00 175.22 174.81 3huw n GLU 64 N -0.63 1.63 -3.29 1.99 0.28 -1.26 0.14 120.64 119.49 3huw n GLU 64 Ca -0.05 -0.96 -0.17 0.00 -0.16 0.00 0.00 57.16 55.81 3huw n GLU 64 Cb 0.63 0.27 -0.07 0.00 1.43 0.00 0.00 31.44 33.70 3huw n GLU 64 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3huw s LEU 65 N 0.00 0.06 -0.01 -1.84 2.96 0.12 -4.90 118.68 115.07 3huw s LEU 65 Ca 0.00 -1.90 -0.30 0.00 -0.22 0.00 0.00 54.13 51.71 3huw s LEU 65 Cb 0.00 0.53 -0.05 0.00 0.50 0.00 0.00 46.19 47.18 3huw s LEU 65 CO 0.00 -0.21 1.26 -0.13 -1.32 0.00 0.00 176.35 175.95 3huw s ARG 66 N 1.08 4.35 -0.65 1.98 0.52 -1.26 -3.67 118.95 121.29 3huw s ARG 66 Ca 0.22 1.78 -0.11 0.00 -0.52 0.00 0.00 55.73 57.10 3huw s ARG 66 Cb -0.10 -3.50 0.17 0.00 0.52 0.00 0.00 34.95 32.04 3huw s ARG 66 CO -0.06 -0.44 0.56 0.99 0.02 0.00 0.00 175.30 176.37 3huw s THR 67 N 1.96 4.88 0.17 0.02 2.01 -1.19 -4.65 115.64 118.84 3huw s THR 67 Ca 0.59 -2.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 3huw s THR 67 Cb -0.28 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.05 3huw s THR 67 CO 0.25 -0.91 1.22 -1.00 -0.69 0.00 0.00 174.62 173.49 3huw s HIS 68 N 0.70 3.40 0.51 4.92 3.76 -0.97 -2.93 115.29 124.68 3huw s HIS 68 Ca 0.12 1.36 0.02 0.00 -0.15 0.00 0.00 55.06 56.41 3huw s HIS 68 Cb -0.20 -3.46 -0.01 0.00 1.11 0.00 0.00 32.58 30.02 3huw s HIS 68 CO -0.04 -1.35 0.05 -0.80 -0.85 0.00 0.00 174.74 171.76 3huw s ASN 69 N 0.31 4.19 0.00 1.40 0.01 -1.26 -2.81 114.94 116.78 3huw s ASN 69 Ca 0.54 -1.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 3huw s ASN 69 Cb -0.33 0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.81 3huw s ASN 69 CO 0.36 -0.87 0.00 -1.14 -1.51 0.00 0.00 177.10 173.94 3huw n ARG 70 N -1.31 0.00 -3.97 -0.60 0.63 0.40 -4.24 116.66 107.56 3huw n ARG 70 Ca -0.17 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.44 3huw n ARG 70 Cb 0.67 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.52 3huw n ARG 70 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3huw s LEU 71 N 0.00 4.18 -0.10 6.15 2.96 0.15 -1.38 118.68 130.63 3huw s LEU 71 Ca 0.00 0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 3huw s LEU 71 Cb 0.00 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 44.08 3huw s LEU 71 CO 0.00 0.22 0.36 -0.69 -1.32 0.00 0.00 176.35 174.91 3huw s VAL 72 N -1.37 0.01 0.53 1.68 1.01 -1.02 -0.45 120.40 120.80 3huw s VAL 72 Ca 0.29 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3huw s VAL 72 Cb -0.13 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3huw s VAL 72 CO 0.22 -0.07 0.26 -1.81 0.00 0.00 0.00 175.10 173.69 3huw s ASP 73 N -0.22 4.45 -0.39 3.32 1.01 -1.15 -0.35 116.67 123.34 3huw s ASP 73 Ca -0.04 -1.39 0.05 0.00 0.71 0.00 0.00 52.55 51.88 3huw s ASP 73 Cb -0.03 0.45 0.16 0.00 1.01 0.00 0.00 42.92 44.51 3huw s ASP 73 CO 0.02 -1.01 0.46 0.27 0.21 0.00 0.00 175.17 175.11 3huw s ILE 74 N -2.81 -0.49 0.58 0.77 -4.36 -0.10 -3.86 121.20 110.94 3huw s ILE 74 Ca 0.24 -0.86 0.28 0.00 -0.26 0.00 0.00 60.65 60.05 3huw s ILE 74 Cb -0.01 -0.50 0.37 0.00 1.25 0.00 0.00 42.46 43.57 3huw s ILE 74 CO 0.14 -0.45 2.02 0.16 0.24 0.00 0.00 174.94 177.05 3huw h ILE 75 N 4.99 0.46 -3.74 8.37 3.07 -1.73 -2.74 117.51 126.19 3huw h ILE 75 Ca 0.07 0.00 -0.77 0.00 1.55 0.00 0.00 64.86 65.70 3huw h ILE 75 Cb 1.08 0.76 -0.28 0.00 -0.27 0.00 0.00 36.82 38.10 3huw h ILE 75 CO 0.17 0.00 0.04 0.21 -1.05 0.00 0.00 178.15 177.52 3huw s ASN 76 N -5.64 6.51 -0.13 2.16 2.47 -1.26 -3.85 114.94 115.20 3huw s ASN 76 Ca -0.05 -2.83 -0.06 0.00 0.42 0.00 0.00 52.86 50.35 3huw s ASN 76 Cb 0.16 -2.14 -0.23 0.00 -1.45 0.00 0.00 41.25 37.60 3huw s ASN 76 CO 0.56 -0.50 3.23 -0.81 -3.72 0.00 0.00 177.10 175.86 3huw n PRO 77 N 3.72 1.91 -2.19 0.43 -0.04 -1.26 -4.58 135.00 132.99 3huw n PRO 77 Ca 0.14 -0.99 -0.26 0.00 -0.04 0.00 0.00 63.50 62.35 3huw n PRO 77 Cb 0.44 -2.01 0.09 0.00 -0.04 0.00 0.00 33.50 31.98 3huw n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huw s ASN 78 N 2.15 4.47 -0.49 3.54 4.22 -1.26 -4.98 114.94 122.58 3huw s ASN 78 Ca 0.60 0.34 -0.02 0.00 -2.14 0.00 0.00 52.86 51.64 3huw s ASN 78 Cb 0.27 -0.85 0.26 0.00 1.28 0.00 0.00 41.25 42.21 3huw s ASN 78 CO -0.00 -1.83 2.18 0.54 -2.04 0.00 0.00 177.10 175.95 3huw n ARG 79 N -3.07 2.25 0.04 3.55 5.12 -1.26 -3.92 116.66 119.37 3huw n ARG 79 Ca 0.10 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.66 3huw n ARG 79 Cb 0.60 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 3huw n ARG 79 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3huw n LYS 80 N 0.04 0.00 -0.22 5.56 0.00 -1.26 -4.77 118.16 117.51 3huw n LYS 80 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.64 3huw n LYS 80 Cb 0.56 -0.34 -0.08 0.00 0.00 0.00 0.00 35.03 35.18 3huw n LYS 80 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3huw h THR 81 N 0.00 0.02 -0.93 3.15 1.35 -1.69 -1.31 112.91 113.51 3huw h THR 81 Ca 0.00 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.13 3huw h THR 81 Cb 0.00 0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.41 3huw h THR 81 CO 0.00 0.00 0.68 -0.38 -0.25 0.00 0.00 175.52 175.57 3huw n ILE 82 N -5.36 0.00 0.06 6.82 2.08 -1.25 -1.94 119.36 119.77 3huw n ILE 82 Ca -0.01 0.71 -0.03 0.00 0.56 0.00 0.00 62.75 63.99 3huw n ILE 82 Cb 0.33 -1.19 -0.01 0.00 -0.75 0.00 0.00 39.64 38.02 3huw n ILE 82 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3huw h GLU 83 N 0.00 -0.17 0.00 0.38 5.08 -1.55 -3.26 114.58 115.06 3huw h GLU 83 Ca 0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3huw h GLU 83 Cb 1.80 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.09 3huw h GLU 83 CO -0.00 -0.11 0.00 1.04 -1.00 0.00 0.00 179.01 178.93 3huw n GLN 84 N -3.16 0.00 0.00 2.33 3.00 -0.82 -2.81 117.38 115.92 3huw n GLN 84 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3huw n GLN 84 Cb 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3huw n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3huw n LEU 85 N -0.80 0.00 -0.05 1.08 4.77 -1.16 -4.41 117.00 116.44 3huw n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3huw n LEU 85 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3huw n LEU 85 CO 0.00 0.00 0.08 0.23 -1.33 0.00 0.00 177.39 176.37 3huw n MET 86 N 0.00 -0.03 -0.09 3.23 2.81 -1.23 -1.75 117.12 120.07 3huw n MET 86 Ca 0.00 0.21 -0.09 0.00 -1.81 0.00 0.00 57.70 56.02 3huw n MET 86 Cb 0.00 -0.32 -0.03 0.00 -0.71 0.00 0.00 33.22 32.16 3huw n MET 86 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3huw n THR 87 N -4.21 1.48 -1.81 2.03 -2.24 -1.25 -4.80 114.28 103.48 3huw n THR 87 Ca 0.02 0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.56 3huw n THR 87 Cb 0.06 -2.34 -0.03 0.00 -2.10 0.00 0.00 70.33 65.92 3huw n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3huw s LEU 88 N -7.97 3.35 0.13 3.22 2.96 -0.71 -4.90 118.68 114.76 3huw s LEU 88 Ca -0.26 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3huw s LEU 88 Cb 0.04 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 3huw s LEU 88 CO 0.39 -2.62 0.05 -1.81 -1.32 0.00 0.00 176.35 171.03 3huw s ASP 89 N 10.06 0.42 -0.33 3.68 1.01 -1.24 -2.96 116.67 127.30 3huw s ASP 89 Ca 0.82 -1.19 0.15 0.00 0.71 0.00 0.00 52.55 53.03 3huw s ASP 89 Cb -0.15 0.27 0.43 0.00 1.01 0.00 0.00 42.92 44.49 3huw s ASP 89 CO 0.23 -0.71 1.42 0.18 0.21 0.00 0.00 175.17 176.50 3huw n LEU 90 N -0.10 -0.73 -4.56 1.23 4.32 -1.26 -5.10 117.00 110.80 3huw n LEU 90 Ca -0.06 -3.21 -0.31 0.00 -0.02 0.00 0.00 56.01 52.42 3huw n LEU 90 Cb 0.63 0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 42.57 3huw n LEU 90 CO 0.31 1.57 1.46 -2.16 -1.22 0.00 0.00 177.39 177.35 3huw s PRO 91 N -0.85 2.50 0.38 3.23 0.04 -1.26 -4.85 135.00 134.19 3huw s PRO 91 Ca 0.15 0.15 0.15 0.00 0.04 0.00 0.00 61.00 61.49 3huw s PRO 91 Cb 0.42 -4.78 1.01 0.00 0.04 0.00 0.00 34.50 31.18 3huw s PRO 91 CO -0.10 -3.20 1.80 0.00 0.04 0.00 0.00 177.00 175.53 3huw h THR 92 N 7.17 0.61 0.00 1.26 1.03 -1.99 -3.39 112.91 117.61 3huw h THR 92 Ca -0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 3huw h THR 92 Cb 1.07 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 3huw h THR 92 CO 1.20 0.09 0.00 0.61 -0.01 0.00 0.00 175.52 177.41 3huw n GLY 93 N -1.45 0.00 3.89 2.99 0.00 -1.26 -5.16 105.19 104.20 3huw n GLY 93 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3huw n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 94 N 0.00 4.85 0.45 1.61 1.01 -1.26 -4.72 120.40 122.34 3huw s VAL 94 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 3huw s VAL 94 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3huw s VAL 94 CO 0.00 -0.54 0.75 -0.70 0.00 0.00 0.00 175.10 174.61 3huw s GLU 95 N -3.95 3.57 -0.13 2.72 2.56 -1.22 -4.92 118.70 117.33 3huw s GLU 95 Ca 0.49 0.17 -0.15 0.00 0.00 0.00 0.00 54.97 55.49 3huw s GLU 95 Cb -0.10 -2.42 0.04 0.00 2.00 0.00 0.00 34.13 33.65 3huw s GLU 95 CO 0.33 -0.13 0.39 0.96 -0.56 0.00 0.00 175.26 176.26 3huw s ILE 96 N -2.63 0.01 0.05 -3.70 -0.00 -1.25 -3.46 121.20 110.23 3huw s ILE 96 Ca 0.47 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.65 61.00 3huw s ILE 96 Cb -0.10 -0.58 -0.02 0.00 -0.00 0.00 0.00 42.46 41.76 3huw s ILE 96 CO 0.42 -0.04 0.07 -1.61 -0.00 0.00 0.00 174.94 173.78 3huw s GLU 97 N -0.08 0.61 -0.30 0.37 0.41 -1.16 -4.91 118.70 113.65 3huw s GLU 97 Ca -0.03 -0.88 0.02 0.00 -0.41 0.00 0.00 54.97 53.67 3huw s GLU 97 Cb -0.03 0.23 0.16 0.00 -1.78 0.00 0.00 34.13 32.71 3huw s GLU 97 CO 0.01 -0.15 0.40 0.42 -0.49 0.00 0.00 175.26 175.46 3huw s ILE 98 N -3.03 -0.60 0.50 -1.63 1.09 -1.26 -2.73 121.20 113.54 3huw s ILE 98 Ca -0.01 -0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.19 3huw s ILE 98 Cb 0.01 -0.93 -0.02 0.00 -1.06 0.00 0.00 42.46 40.46 3huw s ILE 98 CO -0.07 -0.32 0.01 -0.54 -0.10 0.00 0.00 174.94 173.93 3huw s LYS 99 N 2.41 2.16 -0.09 2.79 -0.14 -1.26 -4.99 119.74 120.63 3huw s LYS 99 Ca 0.10 -2.37 -0.18 0.00 -1.36 0.00 0.00 55.97 52.17 3huw s LYS 99 Cb -0.12 -1.49 0.04 0.00 -1.68 0.00 0.00 37.83 34.58 3huw s LYS 99 CO -0.28 -0.35 0.43 0.95 -0.76 0.00 0.00 175.35 175.35 3huw s THR 100 N -2.89 0.02 0.00 2.17 -4.23 -1.26 -2.85 115.64 106.61 3huw s THR 100 Ca 0.09 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 3huw s THR 100 Cb 0.02 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3huw s THR 100 CO 0.05 -0.11 0.00 1.33 -0.54 0.00 0.00 174.62 175.35