#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy n ILE 3 N 0.00 4.73 -1.13 0.52 2.08 -1.26 -5.04 119.36 119.25 3huy n ILE 3 Ca 0.00 -5.53 -0.37 0.00 0.56 0.00 0.00 62.75 57.41 3huy n ILE 3 Cb 0.00 -2.44 0.05 0.00 -0.75 0.00 0.00 39.64 36.50 3huy n ILE 3 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3huy n THR 4 N 2.28 0.56 -0.24 1.39 -2.24 -1.26 -4.38 114.28 110.39 3huy n THR 4 Ca 0.25 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3huy n THR 4 Cb 0.37 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3huy n THR 4 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3huy h LYS 5 N -0.58 -0.18 0.00 -0.78 2.10 -1.98 -1.80 116.57 113.35 3huy h LYS 5 Ca -0.44 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3huy h LYS 5 Cb 1.35 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 3huy h LYS 5 CO 0.35 -0.12 0.00 0.39 -2.00 0.00 0.00 179.45 178.07 3huy n GLU 6 N -5.39 0.00 0.00 0.07 4.71 -1.26 0.10 120.64 118.87 3huy n GLU 6 Ca 0.02 0.96 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 3huy n GLU 6 Cb 0.34 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 3huy n GLU 6 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3huy n GLU 7 N -2.90 0.00 -0.24 3.49 1.02 -1.05 0.20 120.64 121.17 3huy n GLU 7 Ca 0.00 0.70 0.22 0.00 -0.02 0.00 0.00 57.16 58.07 3huy n GLU 7 Cb 0.00 -1.21 0.41 0.00 -0.02 0.00 0.00 31.44 30.61 3huy n GLU 7 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3huy n LYS 8 N -1.84 -0.04 -0.07 3.49 4.81 -0.70 0.34 118.16 124.16 3huy n LYS 8 Ca 0.00 0.90 -0.13 0.00 -0.87 0.00 0.00 58.31 58.21 3huy n LYS 8 Cb 0.00 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 33.29 3huy n LYS 8 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3huy h GLN 9 N 0.00 0.00 -0.22 1.64 1.08 0.66 -2.23 115.11 116.04 3huy h GLN 9 Ca 0.57 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.83 3huy h GLN 9 Cb 1.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 3huy h GLN 9 CO -0.47 0.87 0.84 1.57 -0.95 0.00 0.00 178.83 180.69 3huy h LYS 10 N -1.00 0.00 0.00 1.46 2.10 0.71 0.35 116.57 120.19 3huy h LYS 10 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3huy h LYS 10 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 3huy h LYS 10 CO -0.02 0.00 0.00 0.28 -2.00 0.00 0.00 179.45 177.71 3huy n VAL 11 N -2.82 0.00 -0.15 0.07 0.31 -0.56 -3.53 118.33 111.65 3huy n VAL 11 Ca 0.04 0.32 0.10 0.00 -0.01 0.00 0.00 64.34 64.79 3huy n VAL 11 Cb 0.92 -1.06 0.18 0.00 -0.91 0.00 0.00 33.84 32.97 3huy n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3huy n ILE 12 N -1.65 -0.18 -0.05 2.52 5.41 0.03 0.31 119.36 125.75 3huy n ILE 12 Ca 0.00 0.93 -0.15 0.00 1.00 0.00 0.00 62.75 64.54 3huy n ILE 12 Cb 0.00 -1.42 -0.07 0.00 -0.71 0.00 0.00 39.64 37.43 3huy n ILE 12 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3huy h GLN 13 N 0.00 0.50 -0.87 0.38 4.20 -1.52 0.51 115.11 118.30 3huy h GLN 13 Ca 0.31 -0.34 0.15 0.00 0.06 0.00 0.00 58.65 58.83 3huy h GLN 13 Cb 0.73 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.49 3huy h GLN 13 CO -0.38 0.96 0.57 1.49 -0.67 0.00 0.00 178.83 180.79 3huy h GLU 14 N 0.12 0.61 -0.01 1.46 4.57 0.47 -2.65 114.58 119.15 3huy h GLU 14 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3huy h GLU 14 Cb 0.97 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3huy h GLU 14 CO 0.08 0.40 -0.23 1.19 -1.18 0.00 0.00 179.01 179.27 3huy n PHE 15 N -4.55 0.00 -1.86 0.92 3.01 -0.66 -5.02 117.46 109.30 3huy n PHE 15 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.23 3huy n PHE 15 Cb 0.50 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.98 3huy n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3huy s ALA 16 N -1.52 3.32 0.24 4.37 0.00 0.18 -4.24 121.76 124.10 3huy s ALA 16 Ca 0.11 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.51 3huy s ALA 16 Cb 0.10 -3.57 0.27 0.00 0.00 0.00 0.00 23.12 19.92 3huy s ALA 16 CO 0.30 -1.08 1.61 0.00 0.00 0.00 0.00 175.76 176.59 3huy h ARG 17 N 2.56 0.48 -1.61 0.00 2.47 -1.89 -3.48 114.38 112.90 3huy h ARG 17 Ca -0.51 -0.24 0.28 0.00 -1.26 0.00 0.00 59.98 58.25 3huy h ARG 17 Cb 1.26 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.45 3huy h ARG 17 CO 0.62 0.81 0.76 -0.59 0.56 0.00 0.00 179.97 182.13 3huy s PHE 18 N -4.19 -0.09 -0.06 3.04 -0.12 -1.26 -5.10 117.98 110.20 3huy s PHE 18 Ca -0.07 -0.04 -0.40 0.00 -0.05 0.00 0.00 56.93 56.38 3huy s PHE 18 Cb 0.13 0.55 -0.18 0.00 -0.63 0.00 0.00 43.02 42.88 3huy s PHE 18 CO 0.81 -0.35 1.31 -2.30 -0.05 0.00 0.00 175.22 174.64 3huy n PRO 19 N -0.39 0.54 -0.42 1.99 -0.02 -1.26 -1.77 135.00 133.66 3huy n PRO 19 Ca -0.06 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3huy n PRO 19 Cb 0.62 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3huy n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huy n GLY 20 N 2.47 0.76 3.56 -1.23 0.00 -1.26 -5.03 105.19 104.47 3huy n GLY 20 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3huy n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3huy s ASP 21 N -2.32 6.42 0.00 1.61 3.68 -0.73 -4.74 116.67 120.59 3huy s ASP 21 Ca 0.00 -0.03 0.00 0.00 2.13 0.00 0.00 52.55 54.65 3huy s ASP 21 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 3huy s ASP 21 CO 0.00 -1.40 0.18 0.35 0.13 0.00 0.00 175.17 174.43 3huy n THR 22 N 6.53 0.00 0.00 1.71 -2.24 -1.26 -4.85 114.28 114.17 3huy n THR 22 Ca 0.06 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3huy n THR 22 Cb 0.49 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3huy n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huy n GLY 23 N 0.49 3.75 0.00 3.38 0.00 -1.26 -4.89 105.19 106.65 3huy n GLY 23 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3huy n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3huy n SER 24 N 0.00 -0.88 0.00 1.61 2.88 -1.26 -4.17 113.62 111.79 3huy n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3huy n SER 24 Cb 0.00 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 3huy n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3huy n THR 25 N 0.15 0.00 -0.09 2.46 -1.04 -1.26 -1.09 114.28 113.41 3huy n THR 25 Ca 0.00 1.22 -0.02 0.00 -2.04 0.00 0.00 64.05 63.21 3huy n THR 25 Cb 0.00 -2.09 -0.02 0.00 -1.82 0.00 0.00 70.33 66.40 3huy n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3huy n GLU 26 N -1.36 -0.10 0.00 -2.82 -0.58 -1.26 -1.59 120.64 112.93 3huy n GLU 26 Ca 0.00 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 3huy n GLU 26 Cb 0.00 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3huy n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3huy n VAL 27 N -3.88 0.00 -0.10 2.62 0.31 -1.15 -2.27 118.33 113.86 3huy n VAL 27 Ca 0.00 1.15 0.03 0.00 -0.01 0.00 0.00 64.34 65.52 3huy n VAL 27 Cb 0.06 -2.12 0.06 0.00 -0.91 0.00 0.00 33.84 30.93 3huy n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huy n GLN 28 N -0.99 -0.02 0.00 5.55 6.02 -0.25 0.12 117.38 127.80 3huy n GLN 28 Ca 0.00 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 3huy n GLN 28 Cb 0.00 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3huy n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3huy n VAL 29 N -4.30 0.00 -0.37 5.09 0.31 -0.62 0.88 118.33 119.31 3huy n VAL 29 Ca 0.06 1.23 -0.04 0.00 -0.01 0.00 0.00 64.34 65.58 3huy n VAL 29 Cb 0.18 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 3huy n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huy h ALA 30 N -2.00 -0.05 -0.54 3.52 0.00 0.38 1.30 119.26 121.86 3huy h ALA 30 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.24 3huy h ALA 30 Cb 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3huy h ALA 30 CO 0.00 -0.72 -0.21 1.25 0.00 0.00 0.00 179.25 179.57 3huy h LEU 31 N -0.02 -0.74 -0.29 0.00 5.85 1.00 -0.38 115.31 120.73 3huy h LEU 31 Ca 0.29 0.19 -0.12 0.00 0.84 0.00 0.00 57.88 59.07 3huy h LEU 31 Cb 0.55 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3huy h LEU 31 CO -0.95 -0.24 -0.29 -0.07 -0.34 0.00 0.00 178.44 176.56 3huy h LEU 32 N -0.08 0.75 -1.79 2.25 3.38 0.44 -2.74 115.31 117.51 3huy h LEU 32 Ca 0.25 -0.47 0.32 0.00 0.09 0.00 0.00 57.88 58.07 3huy h LEU 32 Cb 0.47 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3huy h LEU 32 CO -0.60 1.07 0.94 0.74 0.09 0.00 0.00 178.44 180.67 3huy h THR 33 N 0.44 0.25 -0.14 0.22 2.02 0.31 0.46 112.91 116.47 3huy h THR 33 Ca 0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3huy h THR 33 Cb 0.86 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3huy h THR 33 CO 0.07 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 176.08 3huy h LEU 34 N 0.00 0.36 -1.51 2.58 5.85 -0.96 -2.56 115.31 119.07 3huy h LEU 34 Ca 0.53 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3huy h LEU 34 Cb 2.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 3huy h LEU 34 CO -0.01 0.76 -0.23 0.03 -0.34 0.00 0.00 178.44 178.65 3huy h ARG 35 N -0.03 0.02 0.28 1.25 3.08 -0.19 -2.04 114.38 116.75 3huy h ARG 35 Ca 0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3huy h ARG 35 Cb 0.65 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3huy h ARG 35 CO 0.03 0.25 -0.13 0.82 -1.07 0.00 0.00 179.97 179.87 3huy h ILE 36 N 0.02 0.64 -0.21 2.04 2.04 -1.29 0.20 117.51 120.95 3huy h ILE 36 Ca 0.00 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3huy h ILE 36 Cb 0.42 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3huy h ILE 36 CO 0.03 0.14 0.11 0.78 0.00 0.00 0.00 178.15 179.22 3huy h ASN 37 N -0.87 0.25 0.10 1.72 -0.26 -1.42 0.54 115.58 115.64 3huy h ASN 37 Ca -0.04 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.53 3huy h ASN 37 Cb 0.51 -0.06 0.02 0.00 -1.06 0.00 0.00 38.32 37.73 3huy h ASN 37 CO 0.06 0.21 -0.68 0.03 -1.06 0.00 0.00 177.43 175.99 3huy h ARG 38 N 0.29 0.28 0.00 0.81 2.47 -1.39 -2.85 114.38 114.00 3huy h ARG 38 Ca 0.08 -0.44 -0.02 0.00 -1.26 0.00 0.00 59.98 58.34 3huy h ARG 38 Cb 0.01 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3huy h ARG 38 CO -0.01 1.19 -0.08 1.25 0.56 0.00 0.00 179.97 182.87 3huy h LEU 39 N -0.39 0.00 0.00 3.04 6.46 -0.15 -2.96 115.31 121.31 3huy h LEU 39 Ca -0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3huy h LEU 39 Cb 1.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 3huy h LEU 39 CO 0.13 0.08 0.00 -0.24 -0.62 0.00 0.00 178.44 177.79 3huy n SER 40 N -4.29 0.00 -0.36 1.25 2.88 0.19 -2.38 113.62 110.91 3huy n SER 40 Ca -0.03 0.86 0.05 0.00 -1.33 0.00 0.00 58.87 58.42 3huy n SER 40 Cb 0.16 -0.36 0.12 0.00 -0.75 0.00 0.00 64.21 63.38 3huy n SER 40 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3huy n GLU 41 N -1.63 -0.11 -0.13 -1.46 4.71 -1.08 -0.83 120.64 120.11 3huy n GLU 41 Ca 0.00 1.52 -0.13 0.00 -0.01 0.00 0.00 57.16 58.54 3huy n GLU 41 Cb 0.00 -2.26 -0.09 0.00 -1.01 0.00 0.00 31.44 28.08 3huy n GLU 41 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3huy h HIS 42 N 0.00 -1.59 0.00 -0.32 -0.00 -1.53 0.10 115.15 111.81 3huy h HIS 42 Ca 0.44 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 3huy h HIS 42 Cb 0.69 0.75 0.00 0.00 -0.00 0.00 0.00 27.41 28.85 3huy h HIS 42 CO -0.77 -0.48 0.03 -0.07 -0.00 0.00 0.00 177.93 176.64 3huy h LEU 43 N -0.39 0.00 0.00 0.26 3.38 -0.60 0.66 115.31 118.62 3huy h LEU 43 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3huy h LEU 43 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3huy h LEU 43 CO -0.59 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.23 3huy n LYS 44 N -2.84 0.74 -0.07 1.13 5.02 0.35 -1.71 118.16 120.78 3huy n LYS 44 Ca -0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 3huy n LYS 44 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 3huy n LYS 44 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3huy n VAL 45 N -1.12 0.79 -1.75 -0.18 0.31 0.12 -4.70 118.33 111.79 3huy n VAL 45 Ca 0.20 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 3huy n VAL 45 Cb 0.16 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3huy n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3huy n HIS 46 N -3.59 2.42 -0.24 3.52 8.25 -0.58 -4.81 115.22 120.18 3huy n HIS 46 Ca -0.28 -2.17 0.14 0.00 -0.26 0.00 0.00 57.72 55.14 3huy n HIS 46 Cb 0.71 -1.27 0.26 0.00 1.12 0.00 0.00 29.99 30.81 3huy n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3huy n LYS 47 N 0.04 -0.05 0.25 -0.41 5.02 -0.70 0.18 118.16 122.49 3huy n LYS 47 Ca 0.52 1.05 0.12 0.00 -2.02 0.00 0.00 58.31 57.98 3huy n LYS 47 Cb 0.36 -1.72 0.62 0.00 -0.02 0.00 0.00 35.03 34.27 3huy n LYS 47 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3huy h LYS 48 N 0.00 0.00 -6.42 1.97 1.79 -1.87 -3.43 116.57 108.61 3huy h LYS 48 Ca 0.48 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.42 3huy h LYS 48 Cb 1.07 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.75 3huy h LYS 48 CO -0.64 0.16 1.16 0.34 -1.08 0.00 0.00 179.45 179.39 3huy s ASP 49 N -6.11 6.46 -0.08 0.86 -1.08 0.47 -4.81 116.67 112.38 3huy s ASP 49 Ca -0.01 2.68 -0.04 0.00 -0.52 0.00 0.00 52.55 54.66 3huy s ASP 49 Cb 0.12 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 3huy s ASP 49 CO 0.60 -1.02 -0.10 1.41 0.52 0.00 0.00 175.17 176.58 3huy n HIS 50 N 6.64 0.00 0.30 -5.34 8.25 -1.26 -4.43 115.22 119.37 3huy n HIS 50 Ca 0.19 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 3huy n HIS 50 Cb 0.40 -0.27 0.66 0.00 1.12 0.00 0.00 29.99 31.90 3huy n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3huy h HIS 51 N -0.26 0.00 -0.32 4.41 3.86 -2.00 3.11 115.15 123.94 3huy h HIS 51 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3huy h HIS 51 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3huy h HIS 51 CO -0.02 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.20 3huy n SER 52 N -2.67 3.23 -0.07 2.45 7.64 -1.26 -3.78 113.62 119.16 3huy n SER 52 Ca -0.02 -1.97 -0.20 0.00 1.01 0.00 0.00 58.87 57.70 3huy n SER 52 Cb 0.40 -0.20 -0.13 0.00 -1.01 0.00 0.00 64.21 63.27 3huy n SER 52 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3huy n HIS 53 N 1.36 0.55 -0.33 1.43 -0.00 1.03 -3.83 115.22 115.43 3huy n HIS 53 Ca 0.18 0.12 0.12 0.00 -0.00 0.00 0.00 57.72 58.15 3huy n HIS 53 Cb 0.58 -1.07 0.33 0.00 -0.00 0.00 0.00 29.99 29.83 3huy n HIS 53 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3huy h ARG 54 N -0.05 0.75 0.23 1.57 2.43 -1.35 0.22 114.38 118.17 3huy h ARG 54 Ca -0.51 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.60 3huy h ARG 54 Cb 1.92 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 3huy h ARG 54 CO -0.04 0.50 -0.11 0.78 -1.51 0.00 0.00 179.97 179.59 3huy h GLY 55 N 0.77 -0.32 0.00 2.80 0.00 -1.72 -2.87 103.07 101.74 3huy h GLY 55 Ca 0.53 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.98 3huy h GLY 55 CO -0.31 -0.12 0.00 -0.10 0.00 0.00 0.00 176.54 176.02 3huy n LEU 56 N -5.19 0.00 -0.27 3.11 7.94 0.69 0.02 117.00 123.30 3huy n LEU 56 Ca -0.09 0.79 0.27 0.00 -1.11 0.00 0.00 56.01 55.86 3huy n LEU 56 Cb 0.17 -0.29 0.50 0.00 0.53 0.00 0.00 43.42 44.33 3huy n LEU 56 CO 0.34 -0.29 0.89 0.18 -1.11 0.00 0.00 177.39 177.41 3huy n LEU 57 N -2.10 0.29 0.30 -1.96 4.77 -0.74 0.11 117.00 117.68 3huy n LEU 57 Ca 0.00 1.40 -0.15 0.00 -0.03 0.00 0.00 56.01 57.23 3huy n LEU 57 Cb 0.00 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.33 3huy n LEU 57 CO 0.00 -1.57 0.48 0.24 -1.33 0.00 0.00 177.39 175.22 3huy h MET 58 N 0.00 -0.75 -0.93 3.23 2.86 -0.17 0.15 114.93 119.32 3huy h MET 58 Ca 0.72 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.52 3huy h MET 58 Cb 1.90 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 33.66 3huy h MET 58 CO -0.65 -0.44 0.59 0.52 1.06 0.00 0.00 176.91 178.00 3huy h MET 59 N -1.04 0.85 -0.41 1.72 2.86 0.32 -0.68 114.93 118.56 3huy h MET 59 Ca -0.08 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3huy h MET 59 Cb 0.66 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3huy h MET 59 CO 0.13 0.56 0.23 0.28 1.06 0.00 0.00 176.91 179.17 3huy h VAL 60 N 0.87 1.14 -0.06 -2.22 2.07 0.98 -2.74 116.25 116.29 3huy h VAL 60 Ca 0.45 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3huy h VAL 60 Cb 0.51 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3huy h VAL 60 CO -0.21 0.15 -0.35 1.23 0.02 0.00 0.00 177.57 178.40 3huy h GLY 61 N 0.53 0.13 0.91 2.17 0.00 0.73 -2.98 103.07 104.57 3huy h GLY 61 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3huy h GLY 61 CO -0.03 0.10 0.11 -1.61 0.00 0.00 0.00 176.54 175.11 3huy h GLN 62 N 0.10 0.46 -0.33 4.80 5.75 -0.98 0.43 115.11 125.35 3huy h GLN 62 Ca 0.01 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3huy h GLN 62 Cb 0.68 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3huy h GLN 62 CO 0.05 0.49 0.14 0.07 -2.65 0.00 0.00 178.83 176.93 3huy h ARG 63 N 0.33 0.45 -0.52 1.69 0.11 -1.53 0.26 114.38 115.17 3huy h ARG 63 Ca 0.10 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3huy h ARG 63 Cb 0.21 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 3huy h ARG 63 CO -0.01 0.37 0.30 -0.09 0.10 0.00 0.00 179.97 180.64 3huy h ARG 64 N 0.46 0.72 -0.21 0.08 2.43 -0.86 0.81 114.38 117.80 3huy h ARG 64 Ca 0.12 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3huy h ARG 64 Cb 0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3huy h ARG 64 CO -0.01 0.54 0.05 0.00 -1.51 0.00 0.00 179.97 179.03 3huy h ARG 65 N 0.70 0.33 0.37 0.20 -0.00 0.17 -0.51 114.38 115.64 3huy h ARG 65 Ca 0.19 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 3huy h ARG 65 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 29.95 3huy h ARG 65 CO -0.03 0.46 -0.18 -0.07 0.00 0.00 0.00 179.97 180.15 3huy h LEU 66 N 0.15 -0.43 -0.79 3.04 4.07 -0.28 -2.59 115.31 118.48 3huy h LEU 66 Ca 0.06 -0.12 0.10 0.00 0.08 0.00 0.00 57.88 58.01 3huy h LEU 66 Cb 0.28 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 3huy h LEU 66 CO 0.00 -0.11 0.43 -0.07 -1.08 0.00 0.00 178.44 177.61 3huy h LEU 67 N -0.76 0.59 -1.72 1.67 3.38 0.59 1.27 115.31 120.34 3huy h LEU 67 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3huy h LEU 67 Cb 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3huy h LEU 67 CO 0.08 0.33 0.08 -0.09 0.09 0.00 0.00 178.44 178.93 3huy h ARG 68 N 0.72 0.00 0.03 1.13 2.43 -0.94 -0.38 114.38 117.36 3huy h ARG 68 Ca 0.39 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.28 3huy h ARG 68 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3huy h ARG 68 CO -0.27 0.00 -1.55 0.98 -1.51 0.00 0.00 179.97 177.63 3huy n TYR 69 N -2.45 0.97 0.11 2.20 9.36 0.42 -3.19 117.16 124.59 3huy n TYR 69 Ca -0.02 0.36 -0.13 0.00 3.32 0.00 0.00 57.90 61.44 3huy n TYR 69 Cb 0.12 -1.11 -0.06 0.00 -0.63 0.00 0.00 39.34 37.66 3huy n TYR 69 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3huy h LEU 70 N -0.76 -0.30 -0.55 2.98 5.85 0.05 0.54 115.31 123.13 3huy h LEU 70 Ca -0.40 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.42 3huy h LEU 70 Cb 1.50 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.54 3huy h LEU 70 CO -0.16 -0.18 -0.52 -0.61 -0.34 0.00 0.00 178.44 176.62 3huy h GLN 71 N -0.26 -0.28 0.00 1.25 4.15 -1.30 -0.33 115.11 118.34 3huy h GLN 71 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3huy h GLN 71 Cb 0.25 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3huy h GLN 71 CO -0.03 -0.18 0.00 -2.13 -1.93 0.00 0.00 178.83 174.56 3huy n ARG 72 N -5.37 0.00 0.00 1.69 3.00 -0.59 -3.60 116.66 111.79 3huy n ARG 72 Ca -0.01 0.85 0.00 0.00 -0.00 0.00 0.00 57.85 58.69 3huy n ARG 72 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.33 3huy n ARG 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3huy n GLU 73 N -2.63 0.00 -3.03 -0.14 -0.58 0.18 -4.63 120.64 109.81 3huy n GLU 73 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3huy n GLU 73 Cb 0.00 -0.09 -0.06 0.00 -0.57 0.00 0.00 31.44 30.72 3huy n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3huy s ASP 74 N -2.19 6.34 0.21 1.62 2.15 -0.20 -4.90 116.67 119.69 3huy s ASP 74 Ca 0.00 -0.35 -0.09 0.00 0.43 0.00 0.00 52.55 52.54 3huy s ASP 74 Cb 0.00 -2.35 0.14 0.00 -0.30 0.00 0.00 42.92 40.41 3huy s ASP 74 CO 0.00 -0.90 1.78 1.55 -0.17 0.00 0.00 175.17 177.43 3huy h PRO 75 N 8.98 1.12 0.00 4.34 0.13 -1.69 -3.11 132.00 141.77 3huy h PRO 75 Ca -0.26 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3huy h PRO 75 Cb 1.09 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3huy h PRO 75 CO 0.95 0.90 0.00 -1.91 -0.23 0.00 0.00 178.00 177.71 3huy n GLU 76 N -4.34 0.00 0.00 0.86 4.07 -1.26 -1.59 120.64 118.38 3huy n GLU 76 Ca 0.07 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 3huy n GLU 76 Cb 0.16 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 3huy n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3huy n ARG 77 N -2.39 0.26 -0.08 5.31 1.85 -1.22 -1.77 116.66 118.63 3huy n ARG 77 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 3huy n ARG 77 Cb 0.00 -1.02 -0.02 0.00 -1.05 0.00 0.00 32.46 30.37 3huy n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 3huy n TYR 78 N -0.39 0.71 0.24 2.89 9.36 -0.62 -3.10 117.16 126.24 3huy n TYR 78 Ca 0.00 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.53 3huy n TYR 78 Cb 0.01 -0.72 0.00 0.00 -0.63 0.00 0.00 39.34 37.99 3huy n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3huy n ARG 79 N -4.57 0.24 0.00 2.98 1.74 -0.73 -0.97 116.66 115.35 3huy n ARG 79 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3huy n ARG 79 Cb 0.35 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3huy n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3huy n ALA 80 N 0.50 3.00 -0.34 7.54 0.00 -1.22 -4.60 120.51 125.39 3huy n ALA 80 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3huy n ALA 80 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.65 3huy n ALA 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3huy h LEU 81 N 0.00 1.02 -0.82 0.00 5.85 -1.40 1.57 115.31 121.53 3huy h LEU 81 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3huy h LEU 81 Cb 0.00 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 3huy h LEU 81 CO 0.00 0.70 0.47 -0.29 -0.34 0.00 0.00 178.44 178.98 3huy h ILE 82 N 1.18 0.91 0.18 4.05 -0.00 -1.32 -1.78 117.51 120.73 3huy h ILE 82 Ca 0.37 -0.27 -0.30 0.00 -0.00 0.00 0.00 64.86 64.66 3huy h ILE 82 Cb -0.01 0.06 0.02 0.00 -0.00 0.00 0.00 36.82 36.88 3huy h ILE 82 CO -0.12 0.14 -1.36 -0.08 -0.00 0.00 0.00 178.15 176.74 3huy h GLU 83 N 0.78 0.39 0.00 2.19 4.22 -1.14 -0.25 114.58 120.77 3huy h GLU 83 Ca 0.39 -0.66 0.00 0.00 0.08 0.00 0.00 59.36 59.17 3huy h GLU 83 Cb 0.36 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3huy h GLU 83 CO -0.25 1.31 0.00 1.63 -2.18 0.00 0.00 179.01 179.53 3huy n LYS 84 N -3.61 0.09 0.00 1.92 5.02 0.52 -1.61 118.16 120.49 3huy n LYS 84 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3huy n LYS 84 Cb 1.06 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 3huy n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3huy n LEU 85 N -0.90 0.00 -1.76 -0.35 4.77 -0.97 -5.01 117.00 112.77 3huy n LEU 85 Ca 0.02 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 3huy n LEU 85 Cb 0.01 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3huy n LEU 85 CO 0.01 0.00 0.07 0.61 -1.33 0.00 0.00 177.39 176.75 3huy n GLY 86 N 0.23 0.28 1.43 -0.72 0.00 -0.21 -5.06 105.19 101.14 3huy n GLY 86 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3huy n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3huy n ILE 87 N -2.80 0.00 0.00 -0.61 5.41 -0.58 -5.02 119.36 115.76 3huy n ILE 87 Ca -0.05 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3huy n ILE 87 Cb 0.54 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 3huy n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3huy n ARG 88 N -1.72 0.00 0.00 0.38 1.74 -1.26 -4.93 116.66 110.87 3huy n ARG 88 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3huy n ARG 88 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 3huy n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52