#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s ILE 4 N 0.00 3.46 0.01 -0.18 1.01 -1.20 0.19 121.20 124.49 3huy s ILE 4 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.57 3huy s ILE 4 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3huy s ILE 4 CO 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 174.94 174.94 3huy s ARG 5 N -2.03 2.19 -0.21 2.79 1.70 -1.25 -1.74 118.95 120.41 3huy s ARG 5 Ca 0.21 -0.90 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 3huy s ARG 5 Cb -0.11 -2.22 0.04 0.00 -0.57 0.00 0.00 34.95 32.09 3huy s ARG 5 CO 0.13 0.57 -0.15 0.96 -1.08 0.00 0.00 175.30 175.72 3huy s ILE 6 N -0.83 1.99 -0.16 4.99 -4.36 0.30 -2.55 121.20 120.57 3huy s ILE 6 Ca 0.13 -1.14 -0.16 0.00 -0.26 0.00 0.00 60.65 59.21 3huy s ILE 6 Cb -0.10 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 3huy s ILE 6 CO 0.03 0.30 0.41 -0.54 0.24 0.00 0.00 174.94 175.38 3huy s LYS 7 N 1.26 4.26 -0.10 0.37 -0.14 -1.19 -1.76 119.74 122.44 3huy s LYS 7 Ca -0.00 0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.92 3huy s LYS 7 Cb -0.16 -3.48 -0.01 0.00 -1.68 0.00 0.00 37.83 32.51 3huy s LYS 7 CO -0.10 0.09 -0.20 -0.51 -0.76 0.00 0.00 175.35 173.88 3huy s LEU 8 N 0.89 2.35 0.00 3.17 1.43 0.05 -2.99 118.68 123.59 3huy s LEU 8 Ca 0.21 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3huy s LEU 8 Cb -0.14 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3huy s LEU 8 CO 0.08 0.18 0.00 0.54 0.23 0.00 0.00 176.35 177.38 3huy n ARG 9 N 3.40 0.00 0.00 1.70 1.74 -1.17 -0.91 116.66 121.42 3huy n ARG 9 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3huy n ARG 9 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3huy n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huy n GLY 10 N 0.00 1.60 0.00 -0.13 0.00 -1.23 -4.26 105.19 101.17 3huy n GLY 10 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3huy n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huy n PHE 11 N 1.67 0.00 -1.63 1.61 0.99 -1.26 -2.66 117.46 116.18 3huy n PHE 11 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 3huy n PHE 11 Cb 0.00 -0.40 0.03 0.00 -1.00 0.00 0.00 39.48 38.11 3huy n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3huy n ASP 12 N -2.35 1.20 -0.48 4.37 4.64 -1.26 -3.93 116.55 118.74 3huy n ASP 12 Ca 0.00 0.92 0.06 0.00 -1.38 0.00 0.00 54.79 54.39 3huy n ASP 12 Cb 0.00 -1.40 0.07 0.00 -1.04 0.00 0.00 41.12 38.75 3huy n ASP 12 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3huy n HIS 13 N -1.11 0.09 0.00 -0.67 1.44 -1.26 -4.12 115.22 109.59 3huy n HIS 13 Ca 0.11 -0.10 -0.01 0.00 -2.01 0.00 0.00 57.72 55.71 3huy n HIS 13 Cb 0.44 -0.01 -0.11 0.00 0.12 0.00 0.00 29.99 30.43 3huy n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3huy n LYS 14 N 0.60 0.64 -0.53 -1.40 5.02 -1.26 -3.81 118.16 117.42 3huy n LYS 14 Ca 0.07 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.60 3huy n LYS 14 Cb 0.31 -1.73 0.31 0.00 -0.02 0.00 0.00 35.03 33.90 3huy n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3huy n THR 15 N -2.81 1.80 0.15 -0.18 -2.24 -1.26 -3.67 114.28 106.07 3huy n THR 15 Ca -0.14 -1.28 0.07 0.00 -2.27 0.00 0.00 64.05 60.43 3huy n THR 15 Cb 0.88 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 3huy n THR 15 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3huy n LEU 16 N 0.77 0.16 -0.03 3.22 -0.00 -1.25 -3.82 117.00 116.05 3huy n LEU 16 Ca 0.23 -0.13 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 3huy n LEU 16 Cb 0.83 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 44.11 3huy n LEU 16 CO 0.20 0.04 -0.61 -0.67 -0.00 0.00 0.00 177.39 176.35 3huy n ASP 17 N -1.80 0.72 0.35 1.96 2.03 -1.25 -3.31 116.55 115.24 3huy n ASP 17 Ca -0.01 0.34 -0.15 0.00 0.52 0.00 0.00 54.79 55.49 3huy n ASP 17 Cb 0.32 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 3huy n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3huy h ALA 18 N 1.05 -1.22 0.00 -1.67 0.00 -1.73 0.27 119.26 115.95 3huy h ALA 18 Ca -0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3huy h ALA 18 Cb 2.01 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.21 3huy h ALA 18 CO 0.07 -1.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.02 3huy n SER 19 N -4.60 0.16 0.00 0.00 3.41 -1.25 -2.36 113.62 108.98 3huy n SER 19 Ca -0.11 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3huy n SER 19 Cb 0.37 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3huy n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huy n ALA 20 N -0.31 0.80 0.24 7.33 0.00 -0.35 -4.26 120.51 123.96 3huy n ALA 20 Ca 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.57 3huy n ALA 20 Cb 0.04 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.36 3huy n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3huy h GLN 21 N 0.00 0.00 0.15 0.00 4.15 -0.63 -1.59 115.11 117.19 3huy h GLN 21 Ca 0.00 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 3huy h GLN 21 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3huy h GLN 21 CO 0.00 0.00 -1.80 -0.22 -1.93 0.00 0.00 178.83 174.88 3huy h LYS 22 N 0.00 0.31 0.00 1.69 3.11 -1.63 -3.35 116.57 116.70 3huy h LYS 22 Ca 0.00 -0.53 -0.06 0.00 -2.81 0.00 0.00 60.65 57.25 3huy h LYS 22 Cb 0.02 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 3huy h LYS 22 CO 0.00 1.26 -0.28 0.82 -2.81 0.00 0.00 179.45 178.44 3huy h ILE 23 N 0.01 0.57 -1.20 2.00 2.04 -1.61 -3.26 117.51 116.06 3huy h ILE 23 Ca -0.37 -1.43 -0.63 0.00 1.00 0.00 0.00 64.86 63.43 3huy h ILE 23 Cb 2.01 1.99 -0.16 0.00 -0.74 0.00 0.00 36.82 39.92 3huy h ILE 23 CO 0.11 0.27 1.35 0.52 0.00 0.00 0.00 178.15 180.41 3huy n VAL 24 N -3.30 4.34 0.20 1.67 0.31 -0.65 -3.85 118.33 117.06 3huy n VAL 24 Ca 0.01 -3.79 0.00 0.00 -0.01 0.00 0.00 64.34 60.55 3huy n VAL 24 Cb 0.53 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3huy n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3huy n GLU 25 N 1.15 0.00 -1.36 5.55 1.02 -1.23 -4.90 120.64 120.87 3huy n GLU 25 Ca 0.55 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 3huy n GLU 25 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.75 3huy n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3huy n ALA 26 N -3.48 7.09 0.00 0.62 0.00 -1.25 -2.76 120.51 120.73 3huy n ALA 26 Ca 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.26 3huy n ALA 26 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.51 3huy n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huy n ALA 27 N 2.82 0.00 0.12 0.00 0.00 -1.26 -4.78 120.51 117.41 3huy n ALA 27 Ca 0.65 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.87 3huy n ALA 27 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 3huy n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huy h ARG 28 N 0.00 0.53 0.18 0.00 3.08 -1.78 -2.91 114.38 113.48 3huy h ARG 28 Ca 0.00 -0.82 -0.32 0.00 0.07 0.00 0.00 59.98 58.91 3huy h ARG 28 Cb 0.00 0.29 0.03 0.00 0.08 0.00 0.00 29.97 30.38 3huy h ARG 28 CO 0.00 1.38 -1.35 -0.09 -1.07 0.00 0.00 179.97 178.84 3huy h ARG 29 N 0.19 0.59 -0.52 0.04 2.43 -1.78 -3.34 114.38 112.00 3huy h ARG 29 Ca -0.21 -0.88 -0.02 0.00 -0.81 0.00 0.00 59.98 58.05 3huy h ARG 29 Cb 2.04 0.31 -0.02 0.00 -0.42 0.00 0.00 29.97 31.88 3huy h ARG 29 CO 0.25 1.41 0.23 0.66 -1.51 0.00 0.00 179.97 181.01 3huy h SER 30 N 0.22 0.69 0.00 -3.80 4.64 -1.86 -3.44 113.55 110.00 3huy h SER 30 Ca -0.22 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3huy h SER 30 Cb 2.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3huy h SER 30 CO 0.26 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 3huy n GLY 31 N -0.86 1.14 0.08 -0.77 0.00 -1.10 -3.80 105.19 99.89 3huy n GLY 31 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3huy n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ALA 32 N -3.00 1.08 -3.09 4.61 0.00 -1.24 -4.91 120.51 113.96 3huy n ALA 32 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3huy n ALA 32 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3huy n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3huy s GLN 33 N -0.17 1.37 -0.06 0.00 -0.21 -1.26 -4.44 119.66 114.90 3huy s GLN 33 Ca 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.29 3huy s GLN 33 Cb 0.00 0.46 0.02 0.00 1.00 0.00 0.00 33.01 34.49 3huy s GLN 33 CO 0.00 -0.56 -0.04 0.08 -2.12 0.00 0.00 175.29 172.65 3huy s VAL 34 N -3.95 0.58 -1.31 1.09 1.01 -1.26 0.10 120.40 116.67 3huy s VAL 34 Ca 0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 3huy s VAL 34 Cb 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.83 3huy s VAL 34 CO 0.02 0.26 1.76 -1.54 0.00 0.00 0.00 175.10 175.59 3huy n SER 35 N 4.41 4.88 -1.32 3.32 3.41 -0.43 -4.89 113.62 123.01 3huy n SER 35 Ca -0.19 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 3huy n SER 35 Cb 0.51 -1.72 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 3huy n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huy n GLY 36 N 5.15 -4.19 0.18 5.00 0.00 -1.26 -4.49 105.19 105.59 3huy n GLY 36 Ca 0.48 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3huy n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3huy h PRO 37 N 0.95 0.00 0.00 1.61 0.11 -1.91 -3.37 132.00 129.39 3huy h PRO 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3huy h PRO 37 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3huy h PRO 37 CO 0.00 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.23 3huy n ILE 38 N -2.52 0.00 -4.04 4.15 -5.35 -1.09 -2.60 119.36 107.90 3huy n ILE 38 Ca 0.01 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.15 3huy n ILE 38 Cb 0.24 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.07 3huy n ILE 38 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3huy s PRO 39 N 0.00 3.23 0.18 6.28 0.04 -1.26 0.97 135.00 144.45 3huy s PRO 39 Ca 0.00 -0.34 0.06 0.00 0.04 0.00 0.00 61.00 60.77 3huy s PRO 39 Cb 0.00 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 3huy s PRO 39 CO 0.00 0.70 0.07 -0.48 0.04 0.00 0.00 177.00 177.33 3huy s LEU 40 N -1.44 3.54 -0.25 -3.56 2.34 -1.26 -4.89 118.68 113.16 3huy s LEU 40 Ca 0.20 -0.29 -0.23 0.00 0.06 0.00 0.00 54.13 53.87 3huy s LEU 40 Cb -0.12 -2.16 -0.10 0.00 -0.56 0.00 0.00 46.19 43.25 3huy s LEU 40 CO 0.10 0.07 0.93 -0.81 -1.06 0.00 0.00 176.35 175.58 3huy n PRO 41 N -0.34 0.00 -2.01 1.48 -0.04 -1.26 -4.38 135.00 128.45 3huy n PRO 41 Ca -0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 3huy n PRO 41 Cb 0.55 -0.75 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 3huy n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3huy s THR 42 N 2.24 3.51 0.64 0.52 2.01 -1.26 -4.79 115.64 118.51 3huy s THR 42 Ca 0.56 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.93 3huy s THR 42 Cb -0.75 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3huy s THR 42 CO 0.37 -0.36 1.15 -0.13 -0.69 0.00 0.00 174.62 174.95 3huy s ARG 43 N 5.39 2.83 0.06 4.92 1.81 -1.21 -4.97 118.95 127.78 3huy s ARG 43 Ca 0.79 1.57 0.05 0.00 -1.72 0.00 0.00 55.73 56.41 3huy s ARG 43 Cb -0.24 -1.94 -0.03 0.00 -0.45 0.00 0.00 34.95 32.30 3huy s ARG 43 CO 0.33 -1.26 -0.13 0.08 -0.68 0.00 0.00 175.30 173.63 3huy s VAL 44 N -2.04 1.04 -0.52 3.52 1.01 -1.26 -3.07 120.40 119.07 3huy s VAL 44 Ca 0.71 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3huy s VAL 44 Cb -0.24 -0.99 0.17 0.00 0.00 0.00 0.00 36.38 35.31 3huy s VAL 44 CO 0.38 -0.19 0.40 0.54 0.00 0.00 0.00 175.10 176.23 3huy n ARG 45 N 1.47 0.82 -2.30 2.72 5.12 -1.05 -4.96 116.66 118.48 3huy n ARG 45 Ca -0.21 -3.68 -0.39 0.00 -1.93 0.00 0.00 57.85 51.65 3huy n ARG 45 Cb 0.54 -1.91 -0.02 0.00 -1.16 0.00 0.00 32.46 29.92 3huy n ARG 45 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3huy s ARG 46 N -0.54 4.12 -0.12 5.56 0.52 -1.26 -2.02 118.95 125.21 3huy s ARG 46 Ca 0.30 1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 57.36 3huy s ARG 46 Cb 0.01 -2.74 0.03 0.00 0.52 0.00 0.00 34.95 32.77 3huy s ARG 46 CO -0.19 -0.27 -0.04 -0.06 0.02 0.00 0.00 175.30 174.77 3huy s PHE 47 N -1.38 1.28 0.32 -0.53 0.40 -1.08 -4.95 117.98 112.05 3huy s PHE 47 Ca 0.56 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 3huy s PHE 47 Cb -0.31 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 3huy s PHE 47 CO 0.40 -0.50 0.18 0.99 0.70 0.00 0.00 175.22 176.99 3huy s THR 48 N 1.77 3.36 -0.21 0.64 2.01 -1.26 -0.57 115.64 121.37 3huy s THR 48 Ca 0.03 -1.59 -0.36 0.00 0.31 0.00 0.00 61.69 60.08 3huy s THR 48 Cb -0.14 -3.07 0.15 0.00 0.01 0.00 0.00 72.50 69.46 3huy s THR 48 CO -0.07 -0.21 1.41 0.54 -0.69 0.00 0.00 174.62 175.59 3huy s VAL 49 N -2.35 0.00 0.67 3.82 0.11 -1.17 -4.95 120.40 116.54 3huy s VAL 49 Ca 0.38 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.30 3huy s VAL 49 Cb -0.04 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3huy s VAL 49 CO 0.24 0.00 1.07 -0.63 -3.33 0.00 0.00 175.10 172.44 3huy s ILE 50 N -2.03 3.80 -0.28 7.04 -1.09 -1.26 -1.74 121.20 125.64 3huy s ILE 50 Ca 0.13 0.68 0.22 0.00 -2.23 0.00 0.00 60.65 59.45 3huy s ILE 50 Cb 0.02 -3.30 0.09 0.00 -1.58 0.00 0.00 42.46 37.69 3huy s ILE 50 CO -0.04 -0.67 1.20 0.03 -1.23 0.00 0.00 174.94 174.22 3huy h ARG 51 N -0.39 0.00 -6.54 2.79 3.08 -1.82 -3.43 114.38 108.07 3huy h ARG 51 Ca -0.45 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.96 3huy h ARG 51 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.10 3huy h ARG 51 CO 0.56 0.03 -0.79 0.20 -1.07 0.00 0.00 179.97 178.89 3huy s GLY 52 N -4.35 1.73 0.44 0.04 0.00 -1.26 -5.03 107.32 98.89 3huy s GLY 52 Ca 0.02 -1.62 0.15 0.00 0.00 0.00 0.00 44.72 43.27 3huy s GLY 52 CO 0.76 -1.65 1.97 -0.56 0.00 0.00 0.00 173.10 173.62 3huy h PRO 53 N 3.05 0.00 0.00 2.90 0.13 -2.02 -3.40 132.00 132.66 3huy h PRO 53 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3huy h PRO 53 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3huy h PRO 53 CO 0.50 0.21 0.00 0.34 -0.23 0.00 0.00 178.00 178.82 3huy n PHE 54 N -4.22 0.00 -3.44 1.56 7.35 -1.26 -5.08 117.46 112.37 3huy n PHE 54 Ca -0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.68 3huy n PHE 54 Cb 0.27 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 3huy n PHE 54 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 3huy s LYS 55 N 0.00 0.48 -0.46 -4.13 -2.85 -1.26 -5.05 119.74 106.47 3huy s LYS 55 Ca 0.00 1.10 0.06 0.00 -1.00 0.00 0.00 55.97 56.13 3huy s LYS 55 Cb 0.00 0.65 0.30 0.00 -2.06 0.00 0.00 37.83 36.72 3huy s LYS 55 CO 0.00 -0.27 1.07 0.72 0.10 0.00 0.00 175.35 176.97 3huy n HIS 56 N 5.34 -2.91 0.00 1.78 8.25 -1.26 -5.01 115.22 121.40 3huy n HIS 56 Ca -0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 3huy n HIS 56 Cb 0.51 1.61 0.00 0.00 1.12 0.00 0.00 29.99 33.22 3huy n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3huy n LYS 57 N 0.67 0.00 -3.82 -0.41 4.76 -1.26 -4.43 118.16 113.67 3huy n LYS 57 Ca 0.06 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.42 3huy n LYS 57 Cb 0.69 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.41 3huy n LYS 57 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3huy s ASP 58 N 2.76 -0.27 -1.42 4.39 -1.08 -1.26 -4.95 116.67 114.84 3huy s ASP 58 Ca 0.00 -0.58 -0.08 0.00 -0.52 0.00 0.00 52.55 51.37 3huy s ASP 58 Cb 0.00 0.68 0.08 0.00 -1.46 0.00 0.00 42.92 42.22 3huy s ASP 58 CO 0.00 -1.25 0.19 -1.20 0.52 0.00 0.00 175.17 173.43 3huy n SER 59 N -0.43 -0.07 -3.09 -0.34 7.64 -1.26 -4.61 113.62 111.46 3huy n SER 59 Ca -0.06 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.75 3huy n SER 59 Cb 0.60 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3huy n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3huy n ARG 60 N -3.84 1.63 -3.57 1.43 1.74 -1.26 -4.39 116.66 108.40 3huy n ARG 60 Ca -0.14 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.93 3huy n ARG 60 Cb 0.51 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.90 3huy n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3huy s GLU 61 N 0.00 0.47 0.05 5.56 2.12 -0.71 -4.78 118.70 121.42 3huy s GLU 61 Ca 0.00 1.02 0.08 0.00 0.36 0.00 0.00 54.97 56.43 3huy s GLU 61 Cb 0.00 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 3huy s GLU 61 CO 0.00 -0.13 -0.21 -3.38 -0.54 0.00 0.00 175.26 170.99 3huy s HIS 62 N 2.19 1.86 -0.08 5.30 -3.43 -1.26 -3.03 115.29 116.84 3huy s HIS 62 Ca -0.06 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 53.76 3huy s HIS 62 Cb -0.07 -1.10 0.03 0.00 -1.43 0.00 0.00 32.58 30.01 3huy s HIS 62 CO -0.18 0.11 0.19 -0.59 -2.00 0.00 0.00 174.74 172.28 3huy s PHE 63 N -0.85 -0.23 1.35 0.38 -0.00 0.26 -4.93 117.98 113.96 3huy s PHE 63 Ca 0.08 0.58 -0.19 0.00 -0.00 0.00 0.00 56.93 57.39 3huy s PHE 63 Cb -0.09 0.03 0.34 0.00 -0.00 0.00 0.00 43.02 43.31 3huy s PHE 63 CO 0.02 -0.15 0.96 -1.83 -0.00 0.00 0.00 175.22 174.22 3huy s GLU 64 N 0.64 -2.36 -0.46 1.99 -1.05 -1.26 -2.63 118.70 113.58 3huy s GLU 64 Ca -0.04 0.37 0.07 0.00 -0.15 0.00 0.00 54.97 55.21 3huy s GLU 64 Cb -0.06 -1.42 0.23 0.00 -0.44 0.00 0.00 34.13 32.44 3huy s GLU 64 CO -0.03 -4.56 0.71 -0.11 0.95 0.00 0.00 175.26 172.22 3huy n LEU 65 N -5.44 -1.85 -4.58 1.83 7.94 -0.86 -4.86 117.00 109.18 3huy n LEU 65 Ca 0.09 -3.76 -0.33 0.00 -1.11 0.00 0.00 56.01 50.89 3huy n LEU 65 Cb 0.58 0.75 -0.04 0.00 0.53 0.00 0.00 43.42 45.24 3huy n LEU 65 CO 0.48 2.00 1.67 -0.13 -1.11 0.00 0.00 177.39 180.30 3huy s ARG 66 N 0.10 3.02 0.02 1.96 0.52 -1.26 -2.53 118.95 120.78 3huy s ARG 66 Ca 0.33 -1.44 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 3huy s ARG 66 Cb 0.17 -5.35 -0.08 0.00 0.52 0.00 0.00 34.95 30.21 3huy s ARG 66 CO -0.18 -3.36 1.87 -0.08 0.02 0.00 0.00 175.30 173.57 3huy s THR 67 N 8.60 3.15 0.35 0.02 -1.32 -1.17 -4.76 115.64 120.51 3huy s THR 67 Ca 0.63 0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 61.28 3huy s THR 67 Cb 0.01 -3.14 -0.05 0.00 -1.51 0.00 0.00 72.50 67.81 3huy s THR 67 CO 0.11 -0.02 0.62 -1.00 -2.21 0.00 0.00 174.62 172.12 3huy s HIS 68 N 4.24 3.50 0.51 9.09 3.76 -1.09 -3.29 115.29 132.01 3huy s HIS 68 Ca 0.84 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 3huy s HIS 68 Cb -0.40 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.16 3huy s HIS 68 CO 0.38 0.05 0.15 -0.80 -0.85 0.00 0.00 174.74 173.67 3huy s ASN 69 N -3.53 4.31 0.00 1.40 0.01 -1.26 -3.48 114.94 112.39 3huy s ASN 69 Ca 0.44 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.12 3huy s ASN 69 Cb -0.10 0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.96 3huy s ASN 69 CO 0.34 -0.91 0.00 -1.14 -1.51 0.00 0.00 177.10 173.88 3huy n ARG 70 N -1.43 0.00 -3.67 -0.60 0.63 -0.09 -4.54 116.66 106.96 3huy n ARG 70 Ca -0.12 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.66 3huy n ARG 70 Cb 0.66 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.49 3huy n ARG 70 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3huy s LEU 71 N 0.00 0.15 -0.06 6.15 2.96 0.27 -0.77 118.68 127.39 3huy s LEU 71 Ca 0.00 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 3huy s LEU 71 Cb 0.00 1.81 0.02 0.00 0.50 0.00 0.00 46.19 48.52 3huy s LEU 71 CO 0.00 -0.44 0.29 -0.69 -1.32 0.00 0.00 176.35 174.20 3huy s VAL 72 N -0.89 0.03 -0.11 1.68 1.01 -0.72 -2.68 120.40 118.72 3huy s VAL 72 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3huy s VAL 72 Cb -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3huy s VAL 72 CO 0.05 -0.14 -0.11 -1.81 0.00 0.00 0.00 175.10 173.09 3huy s ASP 73 N -0.60 2.25 0.29 3.32 1.01 -1.26 -0.54 116.67 121.14 3huy s ASP 73 Ca -0.07 -0.36 -0.16 0.00 0.71 0.00 0.00 52.55 52.67 3huy s ASP 73 Cb -0.04 -0.96 -0.09 0.00 1.01 0.00 0.00 42.92 42.85 3huy s ASP 73 CO 0.02 -0.05 0.72 0.27 0.21 0.00 0.00 175.17 176.34 3huy s ILE 74 N 1.31 4.68 -0.17 0.77 -4.36 -0.71 -1.31 121.20 121.41 3huy s ILE 74 Ca -0.01 0.98 0.09 0.00 -0.26 0.00 0.00 60.65 61.44 3huy s ILE 74 Cb -0.14 -3.66 -0.16 0.00 1.25 0.00 0.00 42.46 39.75 3huy s ILE 74 CO -0.05 -0.09 -0.04 2.30 0.24 0.00 0.00 174.94 177.30 3huy n ILE 75 N -0.10 1.08 -3.93 8.37 -5.35 0.28 0.13 119.36 119.85 3huy n ILE 75 Ca 0.02 -0.56 -0.35 0.00 -0.27 0.00 0.00 62.75 61.60 3huy n ILE 75 Cb 0.53 -0.85 -0.14 0.00 -1.74 0.00 0.00 39.64 37.44 3huy n ILE 75 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3huy s ASN 76 N -5.31 4.83 -0.06 7.28 -0.87 -1.26 -2.85 114.94 116.69 3huy s ASN 76 Ca -0.15 -1.27 0.01 0.00 -1.57 0.00 0.00 52.86 49.87 3huy s ASN 76 Cb 0.05 -1.69 0.09 0.00 -0.02 0.00 0.00 41.25 39.68 3huy s ASN 76 CO 0.55 -0.25 1.11 -0.81 -2.57 0.00 0.00 177.10 175.14 3huy n PRO 77 N 4.61 1.18 -0.58 -0.60 -0.04 -1.26 -3.71 135.00 134.60 3huy n PRO 77 Ca -0.13 -0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 62.62 3huy n PRO 77 Cb 0.43 -1.17 0.21 0.00 -0.04 0.00 0.00 33.50 32.94 3huy n PRO 77 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3huy n ASN 78 N 0.27 -2.25 0.00 3.54 6.94 -1.26 -4.70 115.26 117.81 3huy n ASN 78 Ca 0.08 -0.19 0.09 0.00 -0.02 0.00 0.00 54.58 54.54 3huy n ASN 78 Cb 0.65 -1.06 0.55 0.00 -2.36 0.00 0.00 39.78 37.57 3huy n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3huy n ARG 79 N -3.29 0.79 -0.10 -3.83 5.12 -1.26 -2.53 116.66 111.56 3huy n ARG 79 Ca 0.01 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.70 3huy n ARG 79 Cb 0.59 -1.37 -0.12 0.00 -1.16 0.00 0.00 32.46 30.40 3huy n ARG 79 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3huy n LYS 80 N -0.87 0.60 0.48 5.56 0.00 -1.26 -4.41 118.16 118.26 3huy n LYS 80 Ca 0.14 0.45 -0.20 0.00 0.00 0.00 0.00 58.31 58.70 3huy n LYS 80 Cb 0.06 -1.68 -0.10 0.00 0.00 0.00 0.00 35.03 33.32 3huy n LYS 80 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3huy h THR 81 N -0.81 0.05 0.00 3.15 1.35 -1.59 -2.77 112.91 112.28 3huy h THR 81 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3huy h THR 81 Cb 1.50 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3huy h THR 81 CO -0.21 0.00 0.88 0.40 -0.25 0.00 0.00 175.52 176.34 3huy h ILE 82 N -1.26 0.00 0.30 6.82 1.08 -1.73 -1.03 117.51 121.70 3huy h ILE 82 Ca -0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3huy h ILE 82 Cb 0.98 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 3huy h ILE 82 CO 0.18 0.00 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.42 3huy h GLU 83 N 0.00 -0.38 0.00 2.37 4.57 -1.70 -2.65 114.58 116.79 3huy h GLU 83 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3huy h GLU 83 Cb 1.77 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 3huy h GLU 83 CO 0.00 -0.26 0.00 1.04 -1.18 0.00 0.00 179.01 178.61 3huy n GLN 84 N -4.72 0.00 0.00 1.92 3.00 -0.39 -2.13 117.38 115.05 3huy n GLN 84 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3huy n GLN 84 Cb 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 30.24 29.43 3huy n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3huy n LEU 85 N 0.22 0.00 -0.39 1.08 4.77 -1.08 -4.35 117.00 117.24 3huy n LEU 85 Ca 0.00 0.00 0.34 0.00 -0.03 0.00 0.00 56.01 56.32 3huy n LEU 85 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 3huy n LEU 85 CO 0.00 0.00 1.10 0.80 -1.33 0.00 0.00 177.39 177.96 3huy n MET 86 N 0.00 0.00 -0.05 3.23 1.56 -1.00 0.17 117.12 121.03 3huy n MET 86 Ca 0.00 0.84 -0.06 0.00 -0.27 0.00 0.00 57.70 58.21 3huy n MET 86 Cb 0.00 -1.99 -0.07 0.00 2.15 0.00 0.00 33.22 33.31 3huy n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3huy n THR 87 N -3.22 0.65 -3.94 1.12 -2.24 -1.19 -4.93 114.28 100.53 3huy n THR 87 Ca 0.28 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 3huy n THR 87 Cb 1.44 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 3huy n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3huy s LEU 88 N -5.01 4.67 -0.06 3.22 2.96 0.44 -5.04 118.68 119.87 3huy s LEU 88 Ca -0.08 -1.94 0.06 0.00 -0.22 0.00 0.00 54.13 51.94 3huy s LEU 88 Cb 0.03 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3huy s LEU 88 CO 0.35 -0.39 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.93 3huy s ASP 89 N 1.23 2.99 -0.58 3.68 1.01 -1.22 -2.62 116.67 121.17 3huy s ASP 89 Ca 0.06 -0.50 0.06 0.00 0.71 0.00 0.00 52.55 52.89 3huy s ASP 89 Cb -0.20 -0.81 0.29 0.00 1.01 0.00 0.00 42.92 43.21 3huy s ASP 89 CO -0.06 0.24 0.81 0.18 0.21 0.00 0.00 175.17 176.55 3huy n LEU 90 N 2.95 3.59 0.00 1.23 4.32 -1.26 -5.09 117.00 122.75 3huy n LEU 90 Ca -0.17 -5.46 0.00 0.00 -0.02 0.00 0.00 56.01 50.36 3huy n LEU 90 Cb 0.52 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3huy n LEU 90 CO 0.25 2.20 0.00 -2.65 -1.22 0.00 0.00 177.39 175.97 3huy n PRO 91 N 0.41 0.89 0.00 3.23 -0.02 -1.26 -4.81 135.00 133.43 3huy n PRO 91 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3huy n PRO 91 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 3huy n PRO 91 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3huy n THR 92 N -0.33 0.00 0.00 3.45 5.66 -1.26 -4.96 114.28 116.84 3huy n THR 92 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3huy n THR 92 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3huy n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3huy n GLY 93 N 0.00 0.00 3.61 1.09 0.00 -1.26 -5.16 105.19 103.47 3huy n GLY 93 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3huy n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 94 N 0.00 3.49 -0.18 1.61 1.01 -1.26 -4.62 120.40 120.44 3huy s VAL 94 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.57 3huy s VAL 94 Cb 0.00 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3huy s VAL 94 CO 0.00 -0.03 -0.19 -0.70 0.00 0.00 0.00 175.10 174.19 3huy s GLU 95 N -2.65 3.00 0.21 2.72 2.56 -1.26 -4.97 118.70 118.31 3huy s GLU 95 Ca 0.25 -0.83 0.08 0.00 0.00 0.00 0.00 54.97 54.47 3huy s GLU 95 Cb -0.10 -2.61 -0.04 0.00 2.00 0.00 0.00 34.13 33.38 3huy s GLU 95 CO 0.16 -0.22 0.02 0.96 -0.56 0.00 0.00 175.26 175.62 3huy s ILE 96 N 1.30 3.73 -0.23 -3.70 -0.00 -1.25 -3.05 121.20 117.99 3huy s ILE 96 Ca 0.05 -1.56 -0.03 0.00 -0.00 0.00 0.00 60.65 59.11 3huy s ILE 96 Cb -0.13 -2.92 0.10 0.00 -0.00 0.00 0.00 42.46 39.51 3huy s ILE 96 CO -0.12 -0.21 0.23 -1.61 -0.00 0.00 0.00 174.94 173.22 3huy s GLU 97 N -3.25 0.22 0.03 0.37 0.41 -1.16 -4.93 118.70 110.40 3huy s GLU 97 Ca 0.29 0.03 -0.28 0.00 -0.41 0.00 0.00 54.97 54.61 3huy s GLU 97 Cb -0.08 -1.09 -0.05 0.00 -1.78 0.00 0.00 34.13 31.13 3huy s GLU 97 CO 0.20 -0.79 0.87 0.42 -0.49 0.00 0.00 175.26 175.47 3huy s ILE 98 N 2.30 4.75 0.00 -1.63 1.09 -1.25 -3.17 121.20 123.29 3huy s ILE 98 Ca 0.08 1.85 0.00 0.00 -1.10 0.00 0.00 60.65 61.48 3huy s ILE 98 Cb -0.15 -4.22 0.00 0.00 -1.06 0.00 0.00 42.46 37.03 3huy s ILE 98 CO -0.20 0.28 0.00 0.29 -0.10 0.00 0.00 174.94 175.21 3huy n LYS 99 N 3.25 0.99 -3.15 2.79 4.76 -1.06 -4.96 118.16 120.79 3huy n LYS 99 Ca 0.01 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.50 3huy n LYS 99 Cb 0.50 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.69 3huy n LYS 99 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3huy s THR 100 N 2.40 -0.97 0.00 -0.18 -4.23 -1.26 -3.88 115.64 107.53 3huy s THR 100 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3huy s THR 100 Cb 0.00 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.86 3huy s THR 100 CO 0.00 0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.41