#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ILE 3 N 0.00 3.24 0.40 4.25 -0.00 -1.26 -5.10 121.20 122.73 3huw s ILE 3 Ca 0.00 -0.59 -0.24 0.00 -0.00 0.00 0.00 60.65 59.82 3huw s ILE 3 Cb 0.00 -2.38 -0.09 0.00 -0.00 0.00 0.00 42.46 39.99 3huw s ILE 3 CO 0.00 0.52 1.06 0.42 -0.00 0.00 0.00 174.94 176.94 3huw s THR 4 N 0.38 3.65 0.51 8.37 -4.23 -1.26 -4.88 115.64 118.19 3huw s THR 4 Ca -0.09 1.27 0.29 0.00 -1.18 0.00 0.00 61.69 61.98 3huw s THR 4 Cb -0.15 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.32 3huw s THR 4 CO 0.05 0.01 1.89 0.07 -0.54 0.00 0.00 174.62 176.10 3huw h LYS 5 N 2.48 0.00 0.00 3.99 2.10 -1.99 -0.76 116.57 122.39 3huw h LYS 5 Ca -0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 3huw h LYS 5 Cb 1.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3huw h LYS 5 CO 0.62 0.00 -0.04 0.93 -2.00 0.00 0.00 179.45 178.96 3huw h GLU 6 N 0.00 0.00 -0.36 0.07 3.07 -1.99 -2.00 114.58 113.37 3huw h GLU 6 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 3huw h GLU 6 Cb 0.50 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 3huw h GLU 6 CO 0.00 0.92 0.25 0.93 -1.40 0.00 0.00 179.01 179.71 3huw h GLU 7 N -1.00 0.14 0.41 2.33 5.08 -1.55 -1.49 114.58 118.50 3huw h GLU 7 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3huw h GLU 7 Cb 0.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3huw h GLU 7 CO -0.01 0.09 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.68 3huw h LYS 8 N 0.14 -0.53 -0.51 2.33 3.64 -1.35 -3.11 116.57 117.20 3huw h LYS 8 Ca 0.17 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3huw h LYS 8 Cb 0.47 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 3huw h LYS 8 CO -0.02 -0.25 -0.42 1.96 -2.27 0.00 0.00 179.45 178.45 3huw h GLN 9 N -1.05 -0.14 -0.93 1.90 1.08 -0.61 0.26 115.11 115.61 3huw h GLN 9 Ca -0.06 0.01 0.29 0.00 -1.45 0.00 0.00 58.65 57.44 3huw h GLN 9 Cb 0.52 0.03 -0.17 0.00 -0.05 0.00 0.00 27.48 27.81 3huw h GLN 9 CO 0.09 -0.10 0.12 0.36 -0.95 0.00 0.00 178.83 178.36 3huw n LYS 10 N -4.64 -0.07 0.45 1.46 2.85 -0.63 -0.63 118.16 116.95 3huw n LYS 10 Ca -0.01 1.38 -0.18 0.00 -1.05 0.00 0.00 58.31 58.45 3huw n LYS 10 Cb 0.22 -2.24 -0.08 0.00 -0.65 0.00 0.00 35.03 32.27 3huw n LYS 10 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3huw h VAL 11 N 0.00 0.00 -1.02 0.58 2.07 -0.44 -1.56 116.25 115.88 3huw h VAL 11 Ca 0.61 -0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.39 3huw h VAL 11 Cb 1.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 3huw h VAL 11 CO -0.84 0.00 0.66 0.40 0.02 0.00 0.00 177.57 177.80 3huw h ILE 12 N -1.15 0.55 -0.65 4.57 2.04 -0.20 0.68 117.51 123.36 3huw h ILE 12 Ca -0.12 -0.14 -0.30 0.00 1.00 0.00 0.00 64.86 65.30 3huw h ILE 12 Cb 0.88 0.10 -0.18 0.00 -0.74 0.00 0.00 36.82 36.89 3huw h ILE 12 CO 0.19 0.08 0.38 0.00 0.00 0.00 0.00 178.15 178.80 3huw n GLN 13 N -4.62 2.22 0.00 2.37 6.02 -0.13 -1.85 117.38 121.40 3huw n GLN 13 Ca 0.25 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 3huw n GLN 13 Cb 0.85 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3huw n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3huw n GLU 14 N -0.45 2.42 0.00 -1.09 4.07 0.23 -4.79 120.64 121.03 3huw n GLU 14 Ca 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3huw n GLU 14 Cb 1.25 -0.86 -0.00 0.00 -0.06 0.00 0.00 31.44 31.77 3huw n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3huw n PHE 15 N -1.38 0.00 -1.20 4.31 3.01 -0.92 -5.07 117.46 116.21 3huw n PHE 15 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 3huw n PHE 15 Cb 0.22 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.72 3huw n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3huw n ALA 16 N -0.90 -3.27 1.20 4.37 0.00 -0.77 -4.60 120.51 116.54 3huw n ALA 16 Ca 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.33 3huw n ALA 16 Cb 0.01 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.28 3huw n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huw n ARG 17 N 1.25 1.43 0.00 0.00 5.12 -1.26 -4.94 116.66 118.25 3huw n ARG 17 Ca 0.06 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 54.96 3huw n ARG 17 Cb 0.50 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 3huw n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3huw n PHE 18 N 0.10 0.00 -1.30 -1.55 1.16 -1.26 -5.09 117.46 109.52 3huw n PHE 18 Ca 0.13 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.35 3huw n PHE 18 Cb 0.43 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.37 3huw n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3huw n PRO 19 N -0.62 0.36 0.00 3.97 -0.02 -1.26 -2.57 135.00 134.86 3huw n PRO 19 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3huw n PRO 19 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3huw n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huw n GLY 20 N 1.60 2.27 3.53 -1.23 0.00 -1.26 -4.98 105.19 105.12 3huw n GLY 20 Ca 0.11 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3huw n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3huw n ASP 21 N 1.09 1.91 -0.11 1.61 4.64 -1.06 -4.82 116.55 119.81 3huw n ASP 21 Ca 0.00 -0.15 -0.20 0.00 -1.38 0.00 0.00 54.79 53.05 3huw n ASP 21 Cb 0.00 -1.38 -0.12 0.00 -1.04 0.00 0.00 41.12 38.58 3huw n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3huw n THR 22 N 7.75 1.55 -0.10 5.18 -2.24 -1.26 -4.78 114.28 120.37 3huw n THR 22 Ca 0.44 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3huw n THR 22 Cb 0.37 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 3huw n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huw n GLY 23 N 2.05 1.27 0.00 3.38 0.00 -1.26 -4.72 105.19 105.91 3huw n GLY 23 Ca -0.44 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3huw n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3huw n SER 24 N 0.00 -0.84 -0.04 1.61 2.88 -1.26 -4.33 113.62 111.64 3huw n SER 24 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3huw n SER 24 Cb 0.00 0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 64.16 3huw n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3huw h THR 25 N 0.00 0.00 -0.21 2.46 2.02 -1.98 -2.31 112.91 112.89 3huw h THR 25 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3huw h THR 25 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 3huw h THR 25 CO 0.00 0.00 -0.12 -0.62 0.37 0.00 0.00 175.52 175.15 3huw n GLU 26 N -4.01 -0.08 0.00 6.66 -0.58 -1.26 -2.05 120.64 119.31 3huw n GLU 26 Ca -0.02 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 3huw n GLU 26 Cb 0.18 -0.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 3huw n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3huw n VAL 27 N -4.27 0.00 -0.01 2.62 0.31 -0.90 -3.86 118.33 112.22 3huw n VAL 27 Ca 0.01 0.89 -0.00 0.00 -0.01 0.00 0.00 64.34 65.23 3huw n VAL 27 Cb 0.06 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3huw n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huw n GLN 28 N -1.32 -0.01 -0.07 5.55 6.02 -0.87 -0.10 117.38 126.58 3huw n GLN 28 Ca 0.00 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 3huw n GLN 28 Cb 0.00 -0.12 -0.02 0.00 1.02 0.00 0.00 30.24 31.12 3huw n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3huw n VAL 29 N -2.70 -0.11 -0.12 5.09 0.31 -1.12 0.48 118.33 120.16 3huw n VAL 29 Ca 0.00 1.50 -0.05 0.00 -0.01 0.00 0.00 64.34 65.79 3huw n VAL 29 Cb 0.01 -1.97 0.03 0.00 -0.91 0.00 0.00 33.84 31.00 3huw n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huw h ALA 30 N -0.65 0.44 0.00 3.52 0.00 -0.61 0.52 119.26 122.47 3huw h ALA 30 Ca 0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3huw h ALA 30 Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3huw h ALA 30 CO -0.16 -0.31 -0.01 1.25 0.00 0.00 0.00 179.25 180.03 3huw h LEU 31 N 0.23 0.00 0.02 0.00 5.85 0.19 -1.73 115.31 119.87 3huw h LEU 31 Ca 0.19 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3huw h LEU 31 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3huw h LEU 31 CO -0.24 0.01 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.05 3huw h LEU 32 N 0.00 0.05 -1.64 2.25 3.38 0.23 -3.20 115.31 116.38 3huw h LEU 32 Ca -0.00 -0.76 0.44 0.00 0.09 0.00 0.00 57.88 57.65 3huw h LEU 32 Cb 0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 3huw h LEU 32 CO 0.00 1.30 0.97 0.74 0.09 0.00 0.00 178.44 181.55 3huw h THR 33 N -0.91 0.18 -0.42 0.22 2.02 0.56 1.47 112.91 116.03 3huw h THR 33 Ca -0.20 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 3huw h THR 33 Cb 1.24 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3huw h THR 33 CO -0.09 0.01 -0.26 0.25 0.37 0.00 0.00 175.52 175.80 3huw h LEU 34 N 0.08 0.96 -0.46 2.58 5.85 -1.38 -2.89 115.31 120.05 3huw h LEU 34 Ca 0.78 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 3huw h LEU 34 Cb 2.71 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 43.45 3huw h LEU 34 CO -0.24 1.18 0.03 0.03 -0.34 0.00 0.00 178.44 179.10 3huw h ARG 35 N 0.75 0.80 0.08 1.25 3.08 0.20 -3.30 114.38 117.23 3huw h ARG 35 Ca 0.09 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3huw h ARG 35 Cb 0.84 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 3huw h ARG 35 CO 0.07 0.84 -0.30 0.82 -1.07 0.00 0.00 179.97 180.33 3huw h ILE 36 N 0.66 0.34 0.00 2.04 2.04 -0.97 -2.57 117.51 119.05 3huw h ILE 36 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3huw h ILE 36 Cb 0.45 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3huw h ILE 36 CO 0.02 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.91 3huw h ASN 37 N -0.50 0.00 -0.04 1.72 -0.26 -1.63 1.70 115.58 116.56 3huw h ASN 37 Ca 0.04 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 3huw h ASN 37 Cb 0.55 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3huw h ASN 37 CO -0.21 0.04 -0.11 0.03 -1.06 0.00 0.00 177.43 176.13 3huw h ARG 38 N 0.00 0.33 0.08 0.81 2.47 -1.54 0.35 114.38 116.88 3huw h ARG 38 Ca -0.00 -0.08 -0.29 0.00 -1.26 0.00 0.00 59.98 58.35 3huw h ARG 38 Cb 0.28 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3huw h ARG 38 CO 0.01 0.45 -1.57 -0.07 0.56 0.00 0.00 179.97 179.34 3huw h LEU 39 N 0.31 0.27 -2.05 3.04 3.38 0.32 -1.80 115.31 118.79 3huw h LEU 39 Ca 0.06 -0.78 0.11 0.00 0.09 0.00 0.00 57.88 57.35 3huw h LEU 39 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3huw h LEU 39 CO 0.02 1.66 0.29 -1.28 0.09 0.00 0.00 178.44 179.22 3huw h SER 40 N -0.39 0.00 0.05 -0.43 0.87 0.24 0.61 113.55 114.49 3huw h SER 40 Ca -0.36 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 59.98 3huw h SER 40 Cb 1.71 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.66 3huw h SER 40 CO -0.01 0.00 -1.15 -0.33 -0.53 0.00 0.00 176.83 174.80 3huw h GLU 41 N 0.00 0.11 0.10 2.24 3.07 -0.40 -2.64 114.58 117.06 3huw h GLU 41 Ca 0.17 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3huw h GLU 41 Cb 0.75 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.68 3huw h GLU 41 CO -0.00 1.09 -0.53 1.25 -1.40 0.00 0.00 179.01 179.41 3huw h HIS 42 N -0.68 -1.54 -0.41 4.33 -0.00 -0.45 -0.66 115.15 115.73 3huw h HIS 42 Ca -0.28 0.04 0.12 0.00 -0.00 0.00 0.00 60.37 60.25 3huw h HIS 42 Cb 1.47 0.66 -0.02 0.00 -0.00 0.00 0.00 27.41 29.52 3huw h HIS 42 CO 0.14 -0.60 0.29 -0.07 -0.00 0.00 0.00 177.93 177.69 3huw h LEU 43 N -0.74 0.01 -0.11 0.26 3.38 0.03 0.34 115.31 118.48 3huw h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3huw h LEU 43 Cb 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3huw h LEU 43 CO -0.30 0.01 0.00 1.17 0.09 0.00 0.00 178.44 179.41 3huw n LYS 44 N -4.42 0.51 0.00 1.13 4.81 -0.26 -3.20 118.16 116.73 3huw n LYS 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3huw n LYS 44 Cb 0.48 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.50 3huw n LYS 44 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3huw n VAL 45 N -0.42 0.00 -1.24 3.15 0.31 0.10 -4.90 118.33 115.34 3huw n VAL 45 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3huw n VAL 45 Cb 0.01 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 3huw n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3huw n HIS 46 N -1.69 2.26 0.29 3.52 8.25 -0.30 -4.66 115.22 122.89 3huw n HIS 46 Ca 0.00 -2.27 0.12 0.00 -0.26 0.00 0.00 57.72 55.30 3huw n HIS 46 Cb 0.00 -2.00 0.55 0.00 1.12 0.00 0.00 29.99 29.66 3huw n HIS 46 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3huw n LYS 47 N 5.87 0.18 0.17 -0.41 2.85 -1.19 -1.83 118.16 123.79 3huw n LYS 47 Ca 0.52 0.53 0.10 0.00 -1.05 0.00 0.00 58.31 58.41 3huw n LYS 47 Cb 0.33 -1.93 0.09 0.00 -0.65 0.00 0.00 35.03 32.87 3huw n LYS 47 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3huw h LYS 48 N 0.00 0.00 -6.34 -1.58 1.79 -1.90 -3.43 116.57 105.11 3huw h LYS 48 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 3huw h LYS 48 Cb 0.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 3huw h LYS 48 CO 0.00 0.08 1.18 0.34 -1.08 0.00 0.00 179.45 179.97 3huw s ASP 49 N -5.99 5.98 -0.25 0.86 -1.08 -0.76 -4.87 116.67 110.56 3huw s ASP 49 Ca 0.04 0.69 -0.11 0.00 -0.52 0.00 0.00 52.55 52.65 3huw s ASP 49 Cb 0.07 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.84 3huw s ASP 49 CO 0.72 -1.75 -0.19 1.41 0.52 0.00 0.00 175.17 175.88 3huw n HIS 50 N 10.07 0.24 -0.51 -5.34 8.25 -1.26 -4.00 115.22 122.67 3huw n HIS 50 Ca 0.17 0.08 0.44 0.00 -0.26 0.00 0.00 57.72 58.16 3huw n HIS 50 Cb 0.49 -1.03 0.78 0.00 1.12 0.00 0.00 29.99 31.35 3huw n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3huw h HIS 51 N -0.68 0.02 0.01 4.41 3.86 -2.00 0.54 115.15 121.31 3huw h HIS 51 Ca -0.61 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.60 3huw h HIS 51 Cb 1.67 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.14 3huw h HIS 51 CO -0.02 -0.01 -0.00 0.77 0.86 0.00 0.00 177.93 179.53 3huw h SER 52 N 0.01 -0.01 -0.68 2.45 0.02 -1.99 -2.95 113.55 110.40 3huw h SER 52 Ca 0.75 -0.77 0.20 0.00 -0.84 0.00 0.00 61.79 61.13 3huw h SER 52 Cb 2.99 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 65.51 3huw h SER 52 CO -0.02 0.78 0.71 -0.74 -1.14 0.00 0.00 176.83 176.41 3huw h HIS 53 N -0.81 0.00 0.27 3.45 6.17 -0.11 0.62 115.15 124.74 3huw h HIS 53 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3huw h HIS 53 Cb 0.78 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.71 3huw h HIS 53 CO 0.20 0.00 -0.13 -0.09 0.71 0.00 0.00 177.93 178.62 3huw h ARG 54 N 0.00 -0.35 -0.64 5.26 2.43 -1.03 0.12 114.38 120.17 3huw h ARG 54 Ca 0.32 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 3huw h ARG 54 Cb 1.74 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 31.25 3huw h ARG 54 CO -0.00 -0.01 -0.08 0.78 -1.51 0.00 0.00 179.97 179.15 3huw h GLY 55 N -0.79 0.58 -0.06 2.80 0.00 0.27 0.66 103.07 106.54 3huw h GLY 55 Ca -0.04 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3huw h GLY 55 CO 0.06 -0.23 -0.54 -2.00 0.00 0.00 0.00 176.54 173.83 3huw h LEU 56 N 0.05 -1.68 -1.93 3.11 5.85 -0.68 0.28 115.31 120.31 3huw h LEU 56 Ca 0.33 0.19 0.25 0.00 0.84 0.00 0.00 57.88 59.49 3huw h LEU 56 Cb 0.52 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3huw h LEU 56 CO -0.61 -0.50 0.70 -0.07 -0.34 0.00 0.00 178.44 177.62 3huw h LEU 57 N -0.63 0.00 0.18 2.25 3.38 0.14 0.21 115.31 120.84 3huw h LEU 57 Ca 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 3huw h LEU 57 Cb 0.70 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 3huw h LEU 57 CO -0.39 0.00 -1.36 0.24 0.09 0.00 0.00 178.44 177.02 3huw h MET 58 N 0.00 0.53 -0.08 1.13 2.86 0.10 -2.60 114.93 116.87 3huw h MET 58 Ca 0.42 -0.82 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 3huw h MET 58 Cb 1.81 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 33.76 3huw h MET 58 CO -0.00 1.38 -0.05 0.52 1.06 0.00 0.00 176.91 179.82 3huw h MET 59 N 0.19 0.18 -0.77 1.72 2.86 0.18 -1.16 114.93 118.13 3huw h MET 59 Ca -0.21 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.52 3huw h MET 59 Cb 2.04 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.65 3huw h MET 59 CO 0.25 0.56 0.52 0.28 1.06 0.00 0.00 176.91 179.58 3huw h VAL 60 N -0.20 0.73 0.56 -2.22 2.07 -0.89 -0.71 116.25 115.59 3huw h VAL 60 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3huw h VAL 60 Cb 0.51 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3huw h VAL 60 CO 0.01 0.06 -0.27 1.23 0.02 0.00 0.00 177.57 178.62 3huw h GLY 61 N 0.30 -0.78 0.33 2.17 0.00 -1.01 -1.53 103.07 102.55 3huw h GLY 61 Ca 0.38 0.29 0.13 0.00 0.00 0.00 0.00 47.33 48.14 3huw h GLY 61 CO -0.10 -0.29 0.50 -1.61 0.00 0.00 0.00 176.54 175.04 3huw h GLN 62 N -1.16 0.72 -0.20 4.80 5.75 -0.64 0.18 115.11 124.56 3huw h GLN 62 Ca -0.08 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3huw h GLN 62 Cb 0.61 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 3huw h GLN 62 CO 0.13 0.48 0.10 -0.09 -2.65 0.00 0.00 178.83 176.80 3huw h ARG 63 N 0.75 0.28 -0.30 1.69 2.43 -1.20 0.27 114.38 118.30 3huw h ARG 63 Ca 0.47 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.69 3huw h ARG 63 Cb 0.58 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3huw h ARG 63 CO -0.32 0.29 0.22 -0.09 -1.51 0.00 0.00 179.97 178.56 3huw h ARG 64 N 0.21 0.00 0.07 0.20 2.43 0.09 0.44 114.38 117.82 3huw h ARG 64 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3huw h ARG 64 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3huw h ARG 64 CO -0.01 0.00 -0.03 0.00 -1.51 0.00 0.00 179.97 178.42 3huw h ARG 65 N 0.00 -0.09 -0.93 0.20 -0.00 0.46 -3.07 114.38 110.95 3huw h ARG 65 Ca 0.14 0.01 0.28 0.00 -0.50 0.00 0.00 59.98 59.91 3huw h ARG 65 Cb 0.58 0.02 -0.17 0.00 0.00 0.00 0.00 29.97 30.40 3huw h ARG 65 CO -0.00 -0.06 0.10 1.28 0.00 0.00 0.00 179.97 181.29 3huw n LEU 66 N -2.63 -0.04 0.19 3.04 4.32 -0.03 0.29 117.00 122.14 3huw n LEU 66 Ca -0.01 1.57 0.14 0.00 -0.02 0.00 0.00 56.01 57.69 3huw n LEU 66 Cb 0.04 -0.60 0.62 0.00 -1.62 0.00 0.00 43.42 41.86 3huw n LEU 66 CO 0.03 -1.62 0.92 -0.07 -1.22 0.00 0.00 177.39 175.43 3huw h LEU 67 N 0.00 0.00 0.21 2.23 3.38 -1.02 -0.90 115.31 119.22 3huw h LEU 67 Ca 0.60 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.22 3huw h LEU 67 Cb 1.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 3huw h LEU 67 CO -0.85 0.00 -1.66 -0.09 0.09 0.00 0.00 178.44 175.94 3huw h ARG 68 N 0.00 0.45 0.90 1.13 2.43 0.43 -2.40 114.38 117.32 3huw h ARG 68 Ca 0.00 -0.78 -0.04 0.00 -0.81 0.00 0.00 59.98 58.35 3huw h ARG 68 Cb 0.32 0.29 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3huw h ARG 68 CO 0.00 1.37 -0.43 -0.92 -1.51 0.00 0.00 179.97 178.48 3huw h TYR 69 N 0.12 -1.12 -0.40 2.20 3.20 -0.91 -2.32 116.97 117.75 3huw h TYR 69 Ca -0.31 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.60 3huw h TYR 69 Cb 2.13 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 40.75 3huw h TYR 69 CO 0.11 -0.69 0.27 1.25 -1.64 0.00 0.00 178.16 177.46 3huw h LEU 70 N -1.23 0.20 -0.38 2.82 5.85 -1.32 -0.23 115.31 121.02 3huw h LEU 70 Ca -0.12 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 3huw h LEU 70 Cb 0.93 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3huw h LEU 70 CO 0.20 0.13 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.31 3huw h GLN 71 N 0.23 0.81 -0.08 1.25 4.15 -1.29 -2.55 115.11 117.63 3huw h GLN 71 Ca 0.18 -0.49 -0.21 0.00 0.77 0.00 0.00 58.65 58.89 3huw h GLN 71 Cb 0.41 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3huw h GLN 71 CO -0.03 1.12 -0.82 -0.09 -1.93 0.00 0.00 178.83 177.08 3huw h ARG 72 N 0.63 0.57 -0.16 1.69 2.43 -0.81 -3.26 114.38 115.47 3huw h ARG 72 Ca 0.02 -0.50 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 3huw h ARG 72 Cb 1.10 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3huw h ARG 72 CO 0.11 1.13 -0.32 0.93 -1.51 0.00 0.00 179.97 180.31 3huw h GLU 73 N 0.37 0.31 -0.37 0.20 4.39 -1.05 -3.43 114.58 115.00 3huw h GLU 73 Ca -0.06 -0.13 0.21 0.00 0.34 0.00 0.00 59.36 59.73 3huw h GLU 73 Cb 1.43 -0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 29.86 3huw h GLU 73 CO 0.15 0.60 0.04 0.34 -1.16 0.00 0.00 179.01 178.98 3huw s ASP 74 N -6.86 -0.55 0.31 1.42 2.15 -0.96 -5.03 116.67 107.14 3huw s ASP 74 Ca -0.05 0.22 0.06 0.00 0.43 0.00 0.00 52.55 53.21 3huw s ASP 74 Cb 0.14 1.41 0.72 0.00 -0.30 0.00 0.00 42.92 44.89 3huw s ASP 74 CO 0.77 -0.10 1.80 1.55 -0.17 0.00 0.00 175.17 179.01 3huw h PRO 75 N 7.75 0.78 0.30 4.34 0.13 -1.78 -2.88 132.00 140.64 3huw h PRO 75 Ca -0.12 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3huw h PRO 75 Cb 1.17 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3huw h PRO 75 CO -0.07 0.51 -0.20 1.49 -0.23 0.00 0.00 178.00 179.51 3huw h GLU 76 N 0.80 -0.45 -1.12 0.86 4.57 -1.92 -2.59 114.58 114.73 3huw h GLU 76 Ca 0.55 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 3huw h GLU 76 Cb 0.82 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 3huw h GLU 76 CO -0.34 -0.30 0.00 2.89 -1.18 0.00 0.00 179.01 180.08 3huw n ARG 77 N -3.49 0.58 0.00 1.92 1.85 -1.10 -2.67 116.66 113.77 3huw n ARG 77 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.79 3huw n ARG 77 Cb 0.20 -1.24 -0.00 0.00 -1.05 0.00 0.00 32.46 30.37 3huw n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 3huw n TYR 78 N 0.53 0.00 -0.18 2.89 9.36 -1.00 -4.30 117.16 124.46 3huw n TYR 78 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 3huw n TYR 78 Cb 0.24 -0.04 0.04 0.00 -0.63 0.00 0.00 39.34 38.95 3huw n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3huw h ARG 79 N -0.07 -0.06 -0.98 2.98 3.08 -1.46 0.98 114.38 118.84 3huw h ARG 79 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3huw h ARG 79 Cb 0.07 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 29.99 3huw h ARG 79 CO 0.00 -0.04 -0.46 0.00 -1.07 0.00 0.00 179.97 178.40 3huw h ALA 80 N 1.39 -0.09 -3.00 0.04 0.00 -1.76 0.15 119.26 116.00 3huw h ALA 80 Ca 0.26 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3huw h ALA 80 Cb 0.46 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3huw h ALA 80 CO -0.59 -0.74 0.00 -0.11 0.00 0.00 0.00 179.25 177.81 3huw n LEU 81 N -5.40 0.00 -0.15 0.00 7.94 0.31 -1.23 117.00 118.46 3huw n LEU 81 Ca 0.07 0.37 -0.04 0.00 -1.11 0.00 0.00 56.01 55.30 3huw n LEU 81 Cb 0.35 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.27 3huw n LEU 81 CO -0.14 0.00 0.34 0.00 -1.11 0.00 0.00 177.39 176.48 3huw n ILE 82 N -0.40 -0.25 -0.15 1.96 0.00 0.54 -0.05 119.36 121.01 3huw n ILE 82 Ca 0.00 1.38 -0.04 0.00 0.00 0.00 0.00 62.75 64.10 3huw n ILE 82 Cb 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 39.64 37.91 3huw n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3huw h GLU 83 N 0.00 -0.07 -0.06 9.51 4.22 -0.82 0.57 114.58 127.93 3huw h GLU 83 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 3huw h GLU 83 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3huw h GLU 83 CO -0.34 -0.04 0.00 1.63 -2.18 0.00 0.00 179.01 178.07 3huw n LYS 84 N -5.39 0.40 0.00 1.92 4.76 0.93 -1.01 118.16 119.77 3huw n LYS 84 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3huw n LYS 84 Cb 0.30 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 3huw n LYS 84 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3huw n LEU 85 N -0.38 0.15 -2.78 -0.35 4.77 0.17 -5.02 117.00 113.57 3huw n LEU 85 Ca 0.00 -0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3huw n LEU 85 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3huw n LEU 85 CO 0.00 0.04 -0.49 0.61 -1.33 0.00 0.00 177.39 176.22 3huw n GLY 86 N 0.07 -3.78 3.34 -0.72 0.00 0.46 -5.05 105.19 99.52 3huw n GLY 86 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 3huw n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3huw s ILE 87 N -1.58 0.02 0.07 -0.61 1.01 -1.22 -5.00 121.20 113.89 3huw s ILE 87 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.98 3huw s ILE 87 Cb -0.00 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3huw s ILE 87 CO 0.70 -0.11 0.00 0.54 0.00 0.00 0.00 174.94 176.07 3huw n ARG 88 N -0.27 -1.22 0.00 2.79 1.74 -1.26 -4.82 116.66 113.62 3huw n ARG 88 Ca -0.02 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3huw n ARG 88 Cb 0.64 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 3huw n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52