#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4b n ASP 2 N 0.00 0.21 -4.76 0.00 5.68 -1.26 -4.86 116.55 111.56 1h4b n ASP 2 Ca 0.00 0.09 -0.37 0.00 -0.50 0.00 0.00 54.79 54.01 1h4b n ASP 2 Cb 0.00 -0.21 0.03 0.00 -1.14 0.00 0.00 41.12 39.79 1h4b n ASP 2 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1h4b s ASP 3 N -2.90 5.44 0.47 -1.12 1.01 -1.26 -5.03 116.67 113.28 1h4b s ASP 3 Ca 0.16 2.53 0.05 0.00 0.71 0.00 0.00 52.55 56.00 1h4b s ASP 3 Cb 0.19 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 1h4b s ASP 3 CO 0.57 -1.43 0.20 -1.00 0.21 0.00 0.00 175.17 173.71 1h4b s HIS 4 N -1.46 2.17 0.21 4.23 3.76 -1.26 -5.02 115.29 117.92 1h4b s HIS 4 Ca 0.72 -0.74 0.29 0.00 -0.15 0.00 0.00 55.06 55.18 1h4b s HIS 4 Cb -0.34 -1.87 1.26 0.00 1.11 0.00 0.00 32.58 32.74 1h4b s HIS 4 CO 0.39 0.01 1.96 -1.00 -0.85 0.00 0.00 174.74 175.26 1h4b h PRO 5 N 1.23 0.00 -0.52 8.40 0.13 -2.01 -3.03 132.00 136.19 1h4b h PRO 5 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1h4b h PRO 5 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1h4b h PRO 5 CO 0.68 0.11 0.24 1.96 -0.23 0.00 0.00 178.00 180.76 1h4b h GLN 6 N 0.00 0.76 -0.90 0.86 4.20 -2.01 -2.45 115.11 115.56 1h4b h GLN 6 Ca -0.00 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1h4b h GLN 6 Cb 0.55 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1h4b h GLN 6 CO 0.01 0.64 0.57 -0.44 -0.67 0.00 0.00 178.83 178.94 1h4b h ASP 7 N 0.69 0.92 -0.87 1.46 3.32 -1.94 -0.40 116.42 119.60 1h4b h ASP 7 Ca 0.18 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.40 1h4b h ASP 7 Cb 0.14 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 1h4b h ASP 7 CO -0.02 0.60 0.57 0.11 -1.72 0.00 0.00 179.24 178.78 1h4b h LYS 8 N 1.06 0.52 -0.45 3.56 1.57 -1.54 0.12 116.57 121.42 1h4b h LYS 8 Ca 0.38 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1h4b h LYS 8 Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1h4b h LYS 8 CO -0.15 0.35 0.28 0.00 -0.57 0.00 0.00 179.45 179.35 1h4b h ALA 9 N 1.62 0.58 -0.44 3.86 0.00 -0.97 1.44 119.26 125.34 1h4b h ALA 9 Ca 0.44 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 1h4b h ALA 9 Cb 0.91 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1h4b h ALA 9 CO -0.19 -0.03 -0.24 0.93 0.00 0.00 0.00 179.25 179.73 1h4b h GLU 10 N 0.56 0.94 -0.44 0.00 4.39 -0.83 -0.34 114.58 118.85 1h4b h GLU 10 Ca 0.18 -0.42 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 1h4b h GLU 10 Cb -0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1h4b h GLU 10 CO -0.07 1.09 -0.23 0.00 -1.16 0.00 0.00 179.01 178.64 1h4b h ARG 11 N 0.78 0.91 -0.49 2.33 3.08 -0.26 -1.02 114.38 119.70 1h4b h ARG 11 Ca 0.10 -0.38 -0.13 0.00 0.07 0.00 0.00 59.98 59.63 1h4b h ARG 11 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1h4b h ARG 11 CO 0.07 1.04 -0.20 0.93 -1.07 0.00 0.00 179.97 180.74 1h4b h GLU 12 N 0.78 1.00 -0.53 0.04 5.08 0.21 0.23 114.58 121.39 1h4b h GLU 12 Ca 0.10 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1h4b h GLU 12 Cb 0.78 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1h4b h GLU 12 CO 0.06 1.10 -0.09 0.00 -1.00 0.00 0.00 179.01 179.08 1h4b h ARG 13 N 0.87 1.00 -0.12 2.33 3.08 -0.90 0.31 114.38 120.95 1h4b h ARG 13 Ca 0.11 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1h4b h ARG 13 Cb 0.78 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1h4b h ARG 13 CO 0.06 1.04 -0.15 0.82 -1.07 0.00 0.00 179.97 180.68 1h4b h ILE 14 N 0.87 1.36 -0.45 2.04 2.04 -1.03 -2.03 117.51 120.31 1h4b h ILE 14 Ca 0.14 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1h4b h ILE 14 Cb 0.65 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1h4b h ILE 14 CO 0.04 0.39 0.09 0.15 0.00 0.00 0.00 178.15 178.82 1h4b h PHE 15 N -0.09 0.70 -0.03 1.37 3.57 -0.46 -1.48 116.94 120.52 1h4b h PHE 15 Ca 0.02 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1h4b h PHE 15 Cb 0.69 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1h4b h PHE 15 CO 0.09 0.61 -0.30 0.87 -2.23 0.00 0.00 178.31 177.36 1h4b h LYS 16 N 0.66 0.05 -0.35 1.11 1.57 -0.26 -2.14 116.57 117.22 1h4b h LYS 16 Ca 0.15 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1h4b h LYS 16 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1h4b h LYS 16 CO 0.00 0.34 -0.35 0.00 -0.57 0.00 0.00 179.45 178.88 1h4b h ARG 17 N 0.04 0.79 -0.05 3.15 3.08 -0.53 -3.17 114.38 117.69 1h4b h ARG 17 Ca 0.00 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 1h4b h ARG 17 Cb 0.55 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1h4b h ARG 17 CO 0.04 1.01 -0.01 0.74 -1.07 0.00 0.00 179.97 180.68 1h4b h PHE 18 N 0.66 0.10 -1.43 3.04 0.04 -1.07 -3.40 116.94 114.87 1h4b h PHE 18 Ca 0.06 -0.02 -0.52 0.00 2.80 0.00 0.00 57.97 60.29 1h4b h PHE 18 Cb 0.89 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1h4b h PHE 18 CO 0.05 0.43 1.59 -3.47 -0.60 0.00 0.00 178.31 176.32 1h4b n ASP 19 N -4.84 2.26 0.04 2.17 2.03 -0.85 -4.51 116.55 112.86 1h4b n ASP 19 Ca -0.07 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 1h4b n ASP 19 Cb 0.22 -1.46 -0.09 0.00 -0.72 0.00 0.00 41.12 39.07 1h4b n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h4b h ALA 20 N 16.87 -0.13 0.00 -1.67 0.00 -1.84 -3.31 119.26 129.18 1h4b h ALA 20 Ca -0.26 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 1h4b h ALA 20 Cb 1.28 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1h4b h ALA 20 CO 1.12 -0.37 -1.48 -2.95 0.00 0.00 0.00 179.25 175.57 1h4b h ASN 21 N -0.52 0.00 -0.26 0.00 -1.07 -1.92 -3.48 115.58 108.33 1h4b h ASN 21 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1h4b h ASN 21 Cb 0.43 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 1h4b h ASN 21 CO 0.02 1.00 0.00 0.61 0.07 0.00 0.00 177.43 179.13 1h4b n GLY 22 N 1.49 1.10 0.76 9.14 0.00 -1.25 -4.97 105.19 111.46 1h4b n GLY 22 Ca -0.11 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.75 1h4b n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h4b n ASP 23 N 0.57 2.28 0.00 1.61 5.75 -1.26 -4.89 116.55 120.61 1h4b n ASP 23 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1h4b n ASP 23 Cb 0.18 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1h4b n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4b n GLY 24 N 1.25 0.94 3.10 6.12 0.00 -1.26 -5.03 105.19 110.31 1h4b n GLY 24 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1h4b n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4b s LYS 25 N -0.65 0.96 -0.11 1.61 -2.85 -1.26 -3.89 119.74 113.55 1h4b s LYS 25 Ca 0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1h4b s LYS 25 Cb 0.00 -0.94 -0.02 0.00 -2.06 0.00 0.00 37.83 34.80 1h4b s LYS 25 CO 0.00 0.25 -0.09 0.42 0.10 0.00 0.00 175.35 176.03 1h4b s ILE 26 N -0.51 3.42 0.36 3.79 1.01 -0.27 -4.80 121.20 124.20 1h4b s ILE 26 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.21 1h4b s ILE 26 Cb -0.06 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1h4b s ILE 26 CO 0.00 0.54 0.36 -0.94 0.00 0.00 0.00 174.94 174.90 1h4b s SER 27 N -0.01 5.35 0.24 3.58 1.04 -1.26 -1.47 113.70 121.16 1h4b s SER 27 Ca -0.02 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 1h4b s SER 27 Cb -0.14 -0.87 0.46 0.00 0.10 0.00 0.00 66.02 65.57 1h4b s SER 27 CO 0.03 -0.48 1.70 0.00 0.98 0.00 0.00 173.24 175.48 1h4b h ALA 28 N 1.09 0.98 -0.96 5.32 0.00 -1.94 0.65 119.26 124.40 1h4b h ALA 28 Ca -0.44 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 28 Cb 1.26 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1h4b h ALA 28 CO 0.56 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 180.14 1h4b h ALA 29 N 1.58 1.41 0.11 0.00 0.00 -1.96 1.93 119.26 122.33 1h4b h ALA 29 Ca 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1h4b h ALA 29 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h4b h ALA 29 CO -0.47 0.47 -0.05 0.93 0.00 0.00 0.00 179.25 180.13 1h4b h GLU 30 N 1.17 -0.14 -0.53 0.00 5.08 -0.67 0.61 114.58 120.09 1h4b h GLU 30 Ca 0.39 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1h4b h GLU 30 Cb 0.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1h4b h GLU 30 CO -0.13 0.33 0.28 1.25 -1.00 0.00 0.00 179.01 179.74 1h4b h LEU 31 N -0.90 0.68 -0.43 1.33 6.46 0.25 -0.60 115.31 122.10 1h4b h LEU 31 Ca -0.02 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1h4b h LEU 31 Cb 0.54 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1h4b h LEU 31 CO 0.02 0.60 0.15 1.23 -0.62 0.00 0.00 178.44 179.82 1h4b h GLY 32 N 0.71 0.70 0.99 3.75 0.00 0.30 0.20 103.07 109.73 1h4b h GLY 32 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h4b h GLY 32 CO -0.03 0.38 0.57 0.83 0.00 0.00 0.00 176.54 178.29 1h4b h GLU 33 N 0.55 1.13 -0.25 4.80 4.39 -0.46 -0.46 114.58 124.28 1h4b h GLU 33 Ca 0.14 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.57 1h4b h GLU 33 Cb 0.23 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1h4b h GLU 33 CO -0.01 0.75 -0.62 0.00 -1.16 0.00 0.00 179.01 177.96 1h4b h ALA 34 N 1.32 0.42 -0.08 3.43 0.00 -0.81 -2.96 119.26 120.58 1h4b h ALA 34 Ca 0.32 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 34 Cb -0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h4b h ALA 34 CO -0.07 0.68 0.04 -0.07 0.00 0.00 0.00 179.25 179.83 1h4b h LEU 35 N 0.63 0.10 -1.41 0.00 3.38 0.02 -2.10 115.31 115.92 1h4b h LEU 35 Ca -0.01 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.22 1h4b h LEU 35 Cb 1.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1h4b h LEU 35 CO 0.13 0.08 0.98 0.11 0.09 0.00 0.00 178.44 179.84 1h4b h LYS 36 N 0.11 0.00 -0.29 1.13 1.57 -0.92 0.57 116.57 118.74 1h4b h LYS 36 Ca 0.03 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1h4b h LYS 36 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1h4b h LYS 36 CO -0.01 0.00 0.53 0.00 -0.57 0.00 0.00 179.45 179.40 1h4b h THR 37 N 0.00 0.17 -0.36 -0.16 1.03 -1.57 0.48 112.91 112.51 1h4b h THR 37 Ca 0.42 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.81 1h4b h THR 37 Cb 2.38 0.54 -0.02 0.00 -1.07 0.00 0.00 68.15 69.98 1h4b h THR 37 CO -0.00 0.00 0.19 -0.07 -0.01 0.00 0.00 175.52 175.63 1h4b h LEU 38 N 0.00 0.42 0.00 0.00 3.38 -0.11 -3.45 115.31 115.55 1h4b h LEU 38 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h4b h LEU 38 Cb 1.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1h4b h LEU 38 CO -0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1h4b n GLY 39 N -1.37 0.89 2.61 0.83 0.00 0.17 -4.82 105.19 103.49 1h4b n GLY 39 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1h4b n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h4b n SER 40 N 0.00 -1.97 -4.01 1.61 2.88 -1.26 -5.14 113.62 105.73 1h4b n SER 40 Ca 0.00 -3.30 -0.10 0.00 -1.33 0.00 0.00 58.87 54.15 1h4b n SER 40 Cb 0.00 1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 64.68 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1h4b s ILE 41 N 0.03 0.01 0.33 2.46 2.07 -1.26 -5.17 121.20 119.67 1h4b s ILE 41 Ca 0.30 -1.48 0.10 0.00 -1.41 0.00 0.00 60.65 58.16 1h4b s ILE 41 Cb 0.25 -2.16 -0.06 0.00 0.13 0.00 0.00 42.46 40.62 1h4b s ILE 41 CO -0.16 -0.06 -0.06 0.42 -1.91 0.00 0.00 174.94 173.17 1h4b s THR 42 N -4.03 2.52 0.29 4.00 -4.23 -1.26 -5.02 115.64 107.91 1h4b s THR 42 Ca 0.24 -2.11 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1h4b s THR 42 Cb 0.01 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1h4b s THR 42 CO 0.07 -0.24 1.67 1.55 -0.54 0.00 0.00 174.62 177.13 1h4b h PRO 43 N 1.95 0.06 0.00 3.99 0.13 -2.00 -2.78 132.00 133.36 1h4b h PRO 43 Ca -0.42 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1h4b h PRO 43 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h4b h PRO 43 CO 0.67 0.58 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.46 1h4b h ASP 44 N 0.05 0.00 0.61 1.44 3.32 -2.00 -1.79 116.42 118.06 1h4b h ASP 44 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 1h4b h ASP 44 Cb 0.95 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.51 1h4b h ASP 44 CO 0.07 0.12 -1.24 -0.33 -1.72 0.00 0.00 179.24 176.14 1h4b h GLU 45 N 0.00 0.28 -0.24 3.56 5.08 -1.91 -3.05 114.58 118.31 1h4b h GLU 45 Ca -0.00 -0.48 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1h4b h GLU 45 Cb 0.43 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1h4b h GLU 45 CO 0.02 1.23 -0.40 0.28 -1.00 0.00 0.00 179.01 179.13 1h4b h VAL 46 N 0.08 1.30 -0.84 3.13 2.07 -1.42 -2.53 116.25 118.05 1h4b h VAL 46 Ca -0.14 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 1h4b h VAL 46 Cb 1.97 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 1h4b h VAL 46 CO 0.21 0.49 0.41 0.11 0.02 0.00 0.00 177.57 178.80 1h4b h LYS 47 N 0.46 1.21 -0.63 1.57 1.57 -1.36 -2.02 116.57 117.37 1h4b h LYS 47 Ca 0.04 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1h4b h LYS 47 Cb 0.89 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1h4b h LYS 47 CO 0.08 0.93 0.07 1.25 -0.57 0.00 0.00 179.45 181.20 1h4b h HIS 48 N 1.19 1.13 -0.50 -1.35 2.76 -1.39 -1.32 115.15 115.67 1h4b h HIS 48 Ca 0.29 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1h4b h HIS 48 Cb 0.12 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 1h4b h HIS 48 CO 0.01 0.96 0.32 0.52 -1.30 0.00 0.00 177.93 178.44 1h4b h MET 49 N 0.98 0.62 -0.11 5.26 2.86 -0.99 -1.16 114.93 122.39 1h4b h MET 49 Ca 0.19 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1h4b h MET 49 Cb 0.47 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1h4b h MET 49 CO 0.02 0.41 0.06 0.52 1.06 0.00 0.00 176.91 178.97 1h4b h MET 50 N 0.64 0.16 0.00 1.72 2.07 -1.08 1.03 114.93 119.48 1h4b h MET 50 Ca 0.19 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 1h4b h MET 50 Cb -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 1h4b h MET 50 CO -0.06 0.22 0.11 0.00 1.07 0.00 0.00 176.91 178.25 1h4b h ALA 51 N 0.93 1.10 0.00 6.32 0.00 -0.78 1.57 119.26 128.40 1h4b h ALA 51 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1h4b h ALA 51 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1h4b h ALA 51 CO -0.01 -0.10 -2.43 0.39 0.00 0.00 0.00 179.25 177.10 1h4b n GLU 52 N -2.86 0.67 0.06 0.00 1.02 -0.36 -4.45 120.64 114.72 1h4b n GLU 52 Ca -0.02 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1h4b n GLU 52 Cb 0.17 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 29.93 1h4b n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1h4b h ILE 53 N 0.00 1.39 -1.62 -3.67 2.04 0.20 -3.43 117.51 112.43 1h4b h ILE 53 Ca -0.56 -3.06 -0.48 0.00 1.00 0.00 0.00 64.86 61.75 1h4b h ILE 53 Cb 2.03 2.80 0.01 0.00 -0.74 0.00 0.00 36.82 40.91 1h4b h ILE 53 CO -0.04 0.85 1.62 -0.67 0.00 0.00 0.00 178.15 179.91 1h4b n ASP 54 N -3.39 2.39 -0.07 1.72 -0.08 0.53 -4.81 116.55 112.83 1h4b n ASP 54 Ca -0.09 -0.42 -0.11 0.00 -1.51 0.00 0.00 54.79 52.66 1h4b n ASP 54 Cb 1.00 -1.57 -0.05 0.00 2.34 0.00 0.00 41.12 42.85 1h4b n ASP 54 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1h4b h THR 55 N 7.65 1.25 0.11 5.18 1.35 -1.86 -3.31 112.91 123.28 1h4b h THR 55 Ca -0.26 -0.88 -0.33 0.00 -0.55 0.00 0.00 66.41 64.39 1h4b h THR 55 Cb 1.27 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1h4b h THR 55 CO 1.14 0.27 -1.75 -2.24 -0.25 0.00 0.00 175.52 172.69 1h4b h ASP 56 N 0.16 0.37 0.00 5.36 2.03 -1.92 -3.49 116.42 118.94 1h4b h ASP 56 Ca 0.06 -0.87 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 1h4b h ASP 56 Cb 0.40 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1h4b h ASP 56 CO 0.01 1.76 0.00 0.61 -1.03 0.00 0.00 179.24 180.59 1h4b n GLY 57 N 1.85 1.99 0.02 7.15 0.00 -1.25 -4.98 105.19 109.96 1h4b n GLY 57 Ca -0.30 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1h4b n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h4b n ASP 58 N 0.00 0.06 0.00 1.61 5.75 -1.26 -4.84 116.55 117.86 1h4b n ASP 58 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1h4b n ASP 58 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1h4b n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4b n GLY 59 N 1.13 0.33 3.11 6.12 0.00 -1.26 -5.06 105.19 109.55 1h4b n GLY 59 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1h4b n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4b s PHE 60 N -2.00 0.70 -0.15 1.61 0.08 -1.26 -4.36 117.98 112.61 1h4b s PHE 60 Ca 0.00 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1h4b s PHE 60 Cb 0.00 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1h4b s PHE 60 CO 0.00 -0.18 -0.05 0.42 -0.10 0.00 0.00 175.22 175.31 1h4b s ILE 61 N -2.87 3.79 0.41 0.64 -1.09 -0.54 -4.78 121.20 116.76 1h4b s ILE 61 Ca 0.02 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1h4b s ILE 61 Cb 0.00 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1h4b s ILE 61 CO -0.04 0.51 0.56 -0.44 -1.23 0.00 0.00 174.94 174.29 1h4b s SER 62 N 0.27 5.72 0.23 3.58 0.01 -1.26 -1.11 113.70 121.14 1h4b s SER 62 Ca -0.04 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1h4b s SER 62 Cb -0.14 -0.83 0.35 0.00 0.21 0.00 0.00 66.02 65.61 1h4b s SER 62 CO 0.03 -0.70 1.79 0.15 0.41 0.00 0.00 173.24 174.92 1h4b h PHE 63 N 0.66 0.71 -0.14 2.43 3.57 -1.96 0.30 116.94 122.51 1h4b h PHE 63 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1h4b h PHE 63 Cb 1.27 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1h4b h PHE 63 CO 0.41 0.28 0.09 0.37 -2.23 0.00 0.00 178.31 177.22 1h4b h GLN 64 N 0.67 0.18 -0.29 1.11 5.75 -1.93 0.48 115.11 121.08 1h4b h GLN 64 Ca 0.36 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1h4b h GLN 64 Cb 0.36 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1h4b h GLN 64 CO -0.26 0.12 0.18 0.93 -2.65 0.00 0.00 178.83 177.15 1h4b h GLU 65 N 0.19 0.39 -0.21 1.69 5.08 -1.61 -0.01 114.58 120.09 1h4b h GLU 65 Ca 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1h4b h GLU 65 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1h4b h GLU 65 CO -0.01 0.29 -0.03 0.35 -1.00 0.00 0.00 179.01 178.60 1h4b h PHE 66 N 0.38 0.33 -0.04 4.33 3.04 -0.09 -1.57 116.94 123.31 1h4b h PHE 66 Ca 0.10 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1h4b h PHE 66 Cb -0.01 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.41 1h4b h PHE 66 CO -0.05 0.36 -0.02 1.15 -2.02 0.00 0.00 178.31 177.73 1h4b h THR 67 N 0.31 1.32 -0.72 4.41 2.02 0.88 0.91 112.91 122.06 1h4b h THR 67 Ca 0.07 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.26 1h4b h THR 67 Cb 0.26 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1h4b h THR 67 CO 0.01 0.27 0.47 0.44 0.37 0.00 0.00 175.52 177.09 1h4b h ASP 68 N -0.30 0.78 0.37 4.18 3.32 -0.72 -1.25 116.42 122.80 1h4b h ASP 68 Ca 0.01 -0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 68 Cb 0.45 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.83 1h4b h ASP 68 CO 0.01 0.55 -1.25 0.15 -1.72 0.00 0.00 179.24 176.98 1h4b h PHE 69 N 0.91 0.76 -0.12 4.55 3.04 -1.14 -3.16 116.94 121.78 1h4b h PHE 69 Ca 0.28 -0.51 0.03 0.00 3.98 0.00 0.00 57.97 61.75 1h4b h PHE 69 Cb -0.02 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.44 1h4b h PHE 69 CO -0.00 1.38 0.09 0.78 -2.02 0.00 0.00 178.31 178.54 1h4b h GLY 70 N 0.87 0.00 1.73 2.40 0.00 0.17 0.32 103.07 108.56 1h4b h GLY 70 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1h4b h GLY 70 CO 0.22 0.00 -0.56 3.21 0.00 0.00 0.00 176.54 179.41 1h4b h ARG 71 N 0.00 0.28 0.00 4.80 3.08 -1.22 0.12 114.38 121.44 1h4b h ARG 71 Ca 0.06 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1h4b h ARG 71 Cb 0.24 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h4b h ARG 71 CO -0.00 0.76 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 1h4b h ALA 72 N 1.20 1.03 -1.26 0.04 0.00 -0.96 -3.28 119.26 116.02 1h4b h ALA 72 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.49 1h4b h ALA 72 Cb 1.05 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.51 1h4b h ALA 72 CO 0.09 0.04 -0.96 0.09 0.00 0.00 0.00 179.25 178.51 1h4b n ASN 73 N -3.17 -0.07 -0.31 0.00 3.02 -0.95 -4.94 115.26 108.83 1h4b n ASN 73 Ca -0.01 -3.13 0.16 0.00 -0.03 0.00 0.00 54.58 51.58 1h4b n ASN 73 Cb 0.25 0.14 0.42 0.00 -0.61 0.00 0.00 39.78 39.98 1h4b n ASN 73 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1h4b h ARG 74 N 2.95 0.57 0.00 3.52 3.08 -0.83 0.90 114.38 124.57 1h4b h ARG 74 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1h4b h ARG 74 Cb 1.04 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1h4b h ARG 74 CO 0.37 0.38 -0.09 0.78 -1.07 0.00 0.00 179.97 180.34 1h4b h GLY 75 N 0.59 0.00 0.81 0.04 0.00 -1.92 -2.05 103.07 100.54 1h4b h GLY 75 Ca 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.80 1h4b h GLY 75 CO -0.29 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.52 1h4b h LEU 76 N 0.00 0.47 -1.36 3.11 3.38 0.49 -2.62 115.31 118.78 1h4b h LEU 76 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1h4b h LEU 76 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h4b h LEU 76 CO 0.01 0.82 0.00 -0.07 0.09 0.00 0.00 178.44 179.29 1h4b h LEU 77 N 0.13 0.00 0.00 1.67 3.38 -1.23 -0.88 115.31 118.39 1h4b h LEU 77 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1h4b h LEU 77 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1h4b h LEU 77 CO 0.04 0.00 -0.71 0.11 0.09 0.00 0.00 178.44 177.97 1h4b h LYS 78 N 0.00 0.00 0.08 1.13 1.57 -1.15 -2.85 116.57 115.36 1h4b h LYS 78 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1h4b h LYS 78 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1h4b h LYS 78 CO 0.00 0.70 -1.87 -3.47 -0.57 0.00 0.00 179.45 174.24 1h4b n ASP 79 N -3.28 2.04 -0.15 0.86 2.03 -0.99 -4.07 116.55 112.99 1h4b n ASP 79 Ca 0.01 0.24 -0.07 0.00 0.52 0.00 0.00 54.79 55.50 1h4b n ASP 79 Cb 0.82 -0.85 0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1h4b n ASP 79 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1h4b h VAL 80 N -0.27 1.09 -1.02 5.18 3.04 -1.30 -1.79 116.25 121.19 1h4b h VAL 80 Ca -0.43 -0.21 0.25 0.00 -1.01 0.00 0.00 66.70 65.30 1h4b h VAL 80 Cb 1.81 0.43 -0.11 0.00 -2.01 0.00 0.00 31.29 31.41 1h4b h VAL 80 CO -0.03 0.11 0.63 0.00 -1.01 0.00 0.00 177.57 177.27 1h4b h ALA 81 N 1.19 1.99 0.00 3.17 0.00 -1.68 0.97 119.26 124.90 1h4b h ALA 81 Ca 0.18 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1h4b h ALA 81 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1h4b h ALA 81 CO -0.05 -0.44 -0.23 0.87 0.00 0.00 0.00 179.25 179.40 1h4b h LYS 82 N 0.50 0.00 -0.34 0.00 1.57 -1.47 -2.98 116.57 113.85 1h4b h LYS 82 Ca 0.62 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.37 1h4b h LYS 82 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1h4b h LYS 82 CO -0.39 0.23 0.10 0.82 -0.57 0.00 0.00 179.45 179.64 1h4b h ILE 83 N 0.00 1.21 -0.01 1.86 2.04 0.11 -3.52 117.51 119.21 1h4b h ILE 83 Ca -0.00 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1h4b h ILE 83 Cb 0.66 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1h4b h ILE 83 CO 0.03 0.24 0.00 0.49 0.00 0.00 0.00 178.15 178.91