#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 1.68 -4.77 0.00 8.00 -1.26 -4.91 116.55 115.29 1h4b n ASP 2 Ca 0.00 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.24 1h4b n ASP 2 Cb 0.00 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1h4b n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1h4b s ASP 3 N -1.25 6.06 0.43 -2.24 1.01 -1.26 -5.02 116.67 114.41 1h4b s ASP 3 Ca 0.26 2.92 0.06 0.00 0.71 0.00 0.00 52.55 56.50 1h4b s ASP 3 Cb 0.14 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1h4b s ASP 3 CO 0.20 -1.05 0.03 -1.38 0.21 0.00 0.00 175.17 173.19 1h4b s HIS 4 N -1.19 2.38 0.23 4.23 -3.43 -1.26 -5.02 115.29 111.24 1h4b s HIS 4 Ca 0.58 -0.72 0.29 0.00 -0.80 0.00 0.00 55.06 54.41 1h4b s HIS 4 Cb -0.44 -1.77 1.30 0.00 -1.43 0.00 0.00 32.58 30.24 1h4b s HIS 4 CO 0.57 0.36 1.97 -1.00 -2.00 0.00 0.00 174.74 174.65 1h4b h PRO 5 N 1.63 0.00 -0.41 -0.38 0.13 -2.02 -2.78 132.00 128.18 1h4b h PRO 5 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1h4b h PRO 5 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 5 CO 0.78 0.11 0.04 1.96 -0.23 0.00 0.00 178.00 180.67 1h4b h GLN 6 N 0.00 0.63 -0.52 0.86 4.20 -2.01 -2.56 115.11 115.71 1h4b h GLN 6 Ca -0.00 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1h4b h GLN 6 Cb 0.52 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1h4b h GLN 6 CO 0.01 0.62 0.32 -0.44 -0.67 0.00 0.00 178.83 178.67 1h4b h ASP 7 N 0.61 0.63 -0.96 1.46 3.32 -1.90 -1.69 116.42 117.89 1h4b h ASP 7 Ca 0.13 -0.06 0.22 0.00 0.02 0.00 0.00 57.03 57.34 1h4b h ASP 7 Cb 0.32 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1h4b h ASP 7 CO 0.01 0.50 0.62 0.11 -1.72 0.00 0.00 179.24 178.76 1h4b h LYS 8 N 0.70 0.46 -0.51 3.56 1.57 -1.58 0.25 116.57 121.02 1h4b h LYS 8 Ca 0.19 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1h4b h LYS 8 Cb -0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1h4b h LYS 8 CO -0.04 0.30 0.28 0.00 -0.57 0.00 0.00 179.45 179.42 1h4b h ALA 9 N 1.61 0.66 -0.37 3.86 0.00 -1.29 1.08 119.26 124.81 1h4b h ALA 9 Ca 0.52 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1h4b h ALA 9 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1h4b h ALA 9 CO -0.24 -0.05 -0.02 0.93 0.00 0.00 0.00 179.25 179.87 1h4b h GLU 10 N 0.54 0.67 -0.71 0.00 5.08 -0.56 -0.91 114.58 118.70 1h4b h GLU 10 Ca 0.22 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1h4b h GLU 10 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1h4b h GLU 10 CO -0.14 0.78 0.17 0.00 -1.00 0.00 0.00 179.01 178.83 1h4b h ARG 11 N 0.48 1.13 -0.61 2.33 3.08 -0.41 0.06 114.38 120.43 1h4b h ARG 11 Ca 0.10 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1h4b h ARG 11 Cb 0.49 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1h4b h ARG 11 CO 0.02 0.99 0.17 0.93 -1.07 0.00 0.00 179.97 181.01 1h4b h GLU 12 N 1.07 0.97 -0.49 0.04 5.08 0.14 0.56 114.58 121.95 1h4b h GLU 12 Ca 0.22 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1h4b h GLU 12 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1h4b h GLU 12 CO 0.00 0.88 -0.20 0.00 -1.00 0.00 0.00 179.01 178.69 1h4b h ARG 13 N 0.89 0.99 -0.19 2.33 3.08 -0.81 0.30 114.38 120.98 1h4b h ARG 13 Ca 0.20 -0.41 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1h4b h ARG 13 Cb 0.33 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1h4b h ARG 13 CO -0.00 1.09 -0.26 0.82 -1.07 0.00 0.00 179.97 180.55 1h4b h ILE 14 N 0.86 1.34 -0.36 2.04 2.04 -0.67 -2.05 117.51 120.71 1h4b h ILE 14 Ca 0.12 -1.46 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 1h4b h ILE 14 Cb 0.77 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1h4b h ILE 14 CO 0.06 0.45 -0.16 0.15 0.00 0.00 0.00 178.15 178.65 1h4b h PHE 15 N 0.17 0.72 -0.01 1.37 3.57 0.21 -2.09 116.94 120.88 1h4b h PHE 15 Ca 0.02 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 1h4b h PHE 15 Cb 0.83 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1h4b h PHE 15 CO 0.09 0.77 -0.26 0.87 -2.23 0.00 0.00 178.31 177.55 1h4b h LYS 16 N 0.59 0.02 -0.13 1.11 1.57 -0.29 -1.65 116.57 117.79 1h4b h LYS 16 Ca 0.10 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 1h4b h LYS 16 Cb 0.61 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1h4b h LYS 16 CO 0.04 0.29 -0.60 0.00 -0.57 0.00 0.00 179.45 178.60 1h4b h ARG 17 N 0.02 0.45 -0.05 3.15 3.08 -0.70 -3.22 114.38 117.12 1h4b h ARG 17 Ca 0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1h4b h ARG 17 Cb 0.48 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1h4b h ARG 17 CO 0.03 0.92 -0.04 0.74 -1.07 0.00 0.00 179.97 180.55 1h4b h PHE 18 N 0.34 0.14 -1.62 3.04 0.04 -0.94 -3.40 116.94 114.54 1h4b h PHE 18 Ca -0.00 -0.04 -0.51 0.00 2.80 0.00 0.00 57.97 60.22 1h4b h PHE 18 Cb 1.14 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1h4b h PHE 18 CO 0.04 0.56 1.60 -3.47 -0.60 0.00 0.00 178.31 176.44 1h4b n ASP 19 N -4.77 2.47 0.07 2.17 2.03 -0.68 -4.58 116.55 113.26 1h4b n ASP 19 Ca -0.08 -0.26 -0.13 0.00 0.52 0.00 0.00 54.79 54.84 1h4b n ASP 19 Cb 0.28 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.05 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 17.85 -0.17 0.00 -1.67 0.00 -1.84 -3.28 119.26 130.16 1h4b h ALA 20 Ca -0.28 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1h4b h ALA 20 Cb 1.27 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1h4b h ALA 20 CO 1.11 -0.43 -1.30 -2.95 0.00 0.00 0.00 179.25 175.69 1h4b h ASN 21 N -0.50 0.00 -0.43 0.00 -1.07 -1.92 -3.48 115.58 108.18 1h4b h ASN 21 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1h4b h ASN 21 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1h4b h ASN 21 CO 0.03 0.79 0.00 0.61 0.07 0.00 0.00 177.43 178.93 1h4b n GLY 22 N 1.41 1.01 0.75 9.14 0.00 -1.24 -4.96 105.19 111.30 1h4b n GLY 22 Ca -0.08 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 0.85 2.23 0.00 1.61 5.75 -1.26 -4.88 116.55 120.84 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 0.27 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.23 0.96 3.10 6.12 0.00 -1.26 -5.03 105.19 110.30 1h4b n GLY 24 Ca 0.16 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 -0.64 0.94 -0.11 1.61 -2.85 -1.26 -3.90 119.74 113.52 1h4b s LYS 25 Ca 0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.97 54.42 1h4b s LYS 25 Cb 0.00 -0.92 -0.02 0.00 -2.06 0.00 0.00 37.83 34.83 1h4b s LYS 25 CO 0.00 0.24 -0.10 0.42 0.10 0.00 0.00 175.35 176.01 1h4b s ILE 26 N -0.51 3.36 0.41 3.79 1.01 -0.51 -4.81 121.20 123.94 1h4b s ILE 26 Ca 0.03 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1h4b s ILE 26 Cb -0.06 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1h4b s ILE 26 CO 0.00 0.54 0.37 -0.94 0.00 0.00 0.00 174.94 174.91 1h4b s SER 27 N -0.01 5.05 0.22 3.58 1.04 -1.26 -1.60 113.70 120.72 1h4b s SER 27 Ca -0.02 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.58 1h4b s SER 27 Cb -0.14 -0.59 0.33 0.00 0.10 0.00 0.00 66.02 65.73 1h4b s SER 27 CO 0.04 -0.64 1.69 0.00 0.98 0.00 0.00 173.24 175.31 1h4b h ALA 28 N 1.04 0.75 -0.99 5.32 0.00 -1.93 0.84 119.26 124.29 1h4b h ALA 28 Ca -0.42 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1h4b h ALA 28 Cb 1.27 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1h4b h ALA 28 CO 0.58 -0.33 0.63 0.00 0.00 0.00 0.00 179.25 180.13 1h4b h ALA 29 N 1.52 1.42 0.10 0.00 0.00 -1.96 1.83 119.26 122.16 1h4b h ALA 29 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1h4b h ALA 29 Cb 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h4b h ALA 29 CO -0.45 0.36 -0.05 0.93 0.00 0.00 0.00 179.25 180.04 1h4b h GLU 30 N 1.10 -0.12 -0.34 0.00 5.08 -0.88 -0.67 114.58 118.75 1h4b h GLU 30 Ca 0.45 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.83 1h4b h GLU 30 Cb 0.27 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1h4b h GLU 30 CO -0.20 0.37 0.21 1.25 -1.00 0.00 0.00 179.01 179.63 1h4b h LEU 31 N -0.91 0.36 -0.64 1.33 6.46 0.75 -1.32 115.31 121.34 1h4b h LEU 31 Ca -0.01 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1h4b h LEU 31 Cb 0.55 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 1h4b h LEU 31 CO 0.02 0.26 0.38 1.23 -0.62 0.00 0.00 178.44 179.71 1h4b h GLY 32 N 0.43 0.92 0.84 3.75 0.00 0.27 0.13 103.07 109.42 1h4b h GLY 32 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.12 1h4b h GLY 32 CO -0.05 0.37 0.57 0.83 0.00 0.00 0.00 176.54 178.26 1h4b h GLU 33 N 0.86 1.05 -0.22 4.80 4.39 -0.52 -0.32 114.58 124.62 1h4b h GLU 33 Ca 0.23 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.66 1h4b h GLU 33 Cb -0.02 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1h4b h GLU 33 CO -0.04 0.70 -0.66 0.00 -1.16 0.00 0.00 179.01 177.84 1h4b h ALA 34 N 1.38 0.40 -0.26 3.43 0.00 -0.71 -3.00 119.26 120.49 1h4b h ALA 34 Ca 0.36 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1h4b h ALA 34 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1h4b h ALA 34 CO -0.13 0.68 0.18 -0.07 0.00 0.00 0.00 179.25 179.91 1h4b h LEU 35 N 0.61 0.26 -1.47 0.00 3.38 0.05 -1.77 115.31 116.37 1h4b h LEU 35 Ca -0.02 -0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.24 1h4b h LEU 35 Cb 1.28 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1h4b h LEU 35 CO 0.14 0.18 1.04 0.11 0.09 0.00 0.00 178.44 180.01 1h4b h LYS 36 N 0.30 0.00 -0.44 1.13 1.57 -0.93 0.85 116.57 119.05 1h4b h LYS 36 Ca 0.10 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1h4b h LYS 36 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1h4b h LYS 36 CO -0.02 0.00 0.48 0.00 -0.57 0.00 0.00 179.45 179.33 1h4b h THR 37 N 0.00 0.36 -0.12 -0.16 1.03 -1.51 0.54 112.91 113.05 1h4b h THR 37 Ca 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.82 1h4b h THR 37 Cb 2.57 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 70.26 1h4b h THR 37 CO -0.01 0.00 -0.22 -0.07 -0.01 0.00 0.00 175.52 175.21 1h4b h LEU 38 N 0.00 0.20 0.08 0.00 3.38 0.50 -3.45 115.31 116.02 1h4b h LEU 38 Ca 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1h4b h LEU 38 Cb 1.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1h4b h LEU 38 CO -0.00 0.44 -0.03 0.61 0.09 0.00 0.00 178.44 179.54 1h4b n GLY 39 N -0.67 0.27 2.69 0.83 0.00 0.19 -4.75 105.19 103.75 1h4b n GLY 39 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1h4b n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h4b n SER 40 N -0.79 -1.13 -4.04 1.61 7.64 -1.26 -5.13 113.62 110.52 1h4b n SER 40 Ca -0.02 -2.52 -0.17 0.00 1.01 0.00 0.00 58.87 57.17 1h4b n SER 40 Cb 0.41 0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 64.18 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1h4b s ILE 41 N -0.57 0.26 0.31 0.44 2.07 -1.26 -5.17 121.20 117.27 1h4b s ILE 41 Ca 0.23 -2.00 0.06 0.00 -1.41 0.00 0.00 60.65 57.54 1h4b s ILE 41 Cb 0.41 -2.53 -0.06 0.00 0.13 0.00 0.00 42.46 40.41 1h4b s ILE 41 CO -0.06 0.00 -0.03 0.42 -1.91 0.00 0.00 174.94 173.36 1h4b s THR 42 N -3.75 1.66 0.27 4.00 -4.23 -1.26 -5.03 115.64 107.29 1h4b s THR 42 Ca 0.37 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1h4b s THR 42 Cb 0.06 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.30 1h4b s THR 42 CO 0.16 -0.19 1.66 1.55 -0.54 0.00 0.00 174.62 177.27 1h4b h PRO 43 N 2.15 0.37 0.00 3.99 0.13 -1.99 -2.74 132.00 133.91 1h4b h PRO 43 Ca -0.41 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.51 1h4b h PRO 43 Cb 1.24 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 43 CO 0.70 0.72 -0.13 -0.44 -0.23 0.00 0.00 178.00 178.62 1h4b h ASP 44 N 0.31 0.00 0.22 1.44 3.32 -1.99 -0.48 116.42 119.25 1h4b h ASP 44 Ca 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 1h4b h ASP 44 Cb 0.85 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.42 1h4b h ASP 44 CO 0.07 0.13 -1.60 -0.33 -1.72 0.00 0.00 179.24 175.78 1h4b h GLU 45 N 0.00 0.48 -0.52 3.56 4.39 -1.91 -2.71 114.58 117.87 1h4b h GLU 45 Ca -0.00 -0.81 -0.03 0.00 0.34 0.00 0.00 59.36 58.86 1h4b h GLU 45 Cb 0.30 0.30 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1h4b h GLU 45 CO 0.02 1.39 0.21 0.28 -1.16 0.00 0.00 179.01 179.75 1h4b h VAL 46 N 0.12 1.19 -0.29 3.13 2.07 -1.22 -0.08 116.25 121.16 1h4b h VAL 46 Ca -0.30 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1h4b h VAL 46 Cb 2.13 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1h4b h VAL 46 CO 0.23 0.23 -0.40 0.11 0.02 0.00 0.00 177.57 177.76 1h4b h LYS 47 N 0.73 0.70 -0.37 1.57 1.57 -1.15 -2.64 116.57 116.99 1h4b h LYS 47 Ca 0.18 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1h4b h LYS 47 Cb 0.14 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1h4b h LYS 47 CO -0.02 0.98 -0.20 1.25 -0.57 0.00 0.00 179.45 180.89 1h4b h HIS 48 N 0.58 0.80 -0.30 -1.35 2.76 -0.97 -1.16 115.15 115.51 1h4b h HIS 48 Ca 0.05 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1h4b h HIS 48 Cb 0.94 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1h4b h HIS 48 CO 0.05 0.86 0.17 0.52 -1.30 0.00 0.00 177.93 178.22 1h4b h MET 49 N 0.63 0.41 -0.15 5.26 2.86 -0.84 -1.01 114.93 122.09 1h4b h MET 49 Ca 0.09 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1h4b h MET 49 Cb 0.68 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1h4b h MET 49 CO 0.05 0.34 0.07 0.52 1.06 0.00 0.00 176.91 178.95 1h4b h MET 50 N 0.37 0.21 0.00 1.72 2.07 -1.27 1.20 114.93 119.22 1h4b h MET 50 Ca 0.10 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1h4b h MET 50 Cb 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1h4b h MET 50 CO -0.02 0.25 0.10 0.00 1.07 0.00 0.00 176.91 178.31 1h4b h ALA 51 N 0.95 1.10 0.00 6.32 0.00 -0.91 1.61 119.26 128.33 1h4b h ALA 51 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 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 -2.92 0.66 0.09 0.00 1.02 -0.33 -4.42 120.64 114.74 1h4b n GLU 52 Ca -0.03 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1h4b n GLU 52 Cb 0.16 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.53 -1.66 -3.67 2.04 0.23 -3.42 117.51 112.57 1h4b h ILE 53 Ca -0.56 -3.15 -0.48 0.00 1.00 0.00 0.00 64.86 61.66 1h4b h ILE 53 Cb 2.01 2.90 0.01 0.00 -0.74 0.00 0.00 36.82 40.99 1h4b h ILE 53 CO -0.05 0.91 1.62 -0.67 0.00 0.00 0.00 178.15 179.96 1h4b n ASP 54 N -3.46 2.46 -0.06 1.72 -0.08 0.54 -4.81 116.55 112.86 1h4b n ASP 54 Ca -0.07 -0.39 -0.12 0.00 -1.51 0.00 0.00 54.79 52.70 1h4b n ASP 54 Cb 1.00 -1.58 -0.06 0.00 2.34 0.00 0.00 41.12 42.82 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 7.62 1.31 0.14 5.18 1.35 -1.86 -3.32 112.91 123.34 1h4b h THR 55 Ca -0.27 -1.15 -0.35 0.00 -0.55 0.00 0.00 66.41 64.09 1h4b h THR 55 Cb 1.27 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1h4b h THR 55 CO 1.13 0.34 -1.85 -2.24 -0.25 0.00 0.00 175.52 172.65 1h4b h ASP 56 N 0.04 0.45 0.00 5.36 2.03 -1.92 -3.49 116.42 118.90 1h4b h ASP 56 Ca 0.04 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 1h4b h ASP 56 Cb 0.57 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1h4b h ASP 56 CO 0.03 1.74 0.00 0.61 -1.03 0.00 0.00 179.24 180.59 1h4b n GLY 57 N 1.89 1.85 0.00 7.15 0.00 -1.25 -4.97 105.19 109.86 1h4b n GLY 57 Ca -0.27 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.81 1h4b n ASP 58 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1h4b n ASP 58 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.05 0.28 3.15 6.12 0.00 -1.26 -5.06 105.19 109.48 1h4b n GLY 59 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.05 0.90 -0.16 1.61 0.08 -1.26 -4.41 117.98 112.69 1h4b s PHE 60 Ca 0.00 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.26 1h4b s PHE 60 Cb 0.00 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1h4b s PHE 60 CO 0.00 -0.09 -0.04 0.42 -0.10 0.00 0.00 175.22 175.41 1h4b s ILE 61 N -2.81 3.87 0.45 0.64 -1.09 -0.63 -4.78 121.20 116.84 1h4b s ILE 61 Ca 0.06 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 1h4b s ILE 61 Cb -0.00 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1h4b s ILE 61 CO -0.02 0.49 0.63 -0.44 -1.23 0.00 0.00 174.94 174.37 1h4b s SER 62 N 0.37 5.67 0.25 3.58 0.01 -1.26 -1.42 113.70 120.90 1h4b s SER 62 Ca -0.04 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 1h4b s SER 62 Cb -0.14 -1.09 0.44 0.00 0.21 0.00 0.00 66.02 65.44 1h4b s SER 62 CO 0.03 -0.78 1.80 0.15 0.41 0.00 0.00 173.24 174.85 1h4b h PHE 63 N 0.47 0.84 -0.23 2.43 3.57 -1.97 0.32 116.94 122.38 1h4b h PHE 63 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1h4b h PHE 63 Cb 1.27 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1h4b h PHE 63 CO 0.41 0.30 0.13 0.37 -2.23 0.00 0.00 178.31 177.29 1h4b h GLN 64 N 0.75 0.31 -0.27 1.11 5.75 -1.93 0.30 115.11 121.12 1h4b h GLN 64 Ca 0.42 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1h4b h GLN 64 Cb 0.45 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1h4b h GLN 64 CO -0.28 0.27 0.14 0.93 -2.65 0.00 0.00 178.83 177.24 1h4b h GLU 65 N 0.27 0.38 -0.82 1.69 5.08 -1.51 0.74 114.58 120.40 1h4b h GLU 65 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1h4b h GLU 65 Cb 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1h4b h GLU 65 CO -0.01 0.34 0.44 0.35 -1.00 0.00 0.00 179.01 179.12 1h4b h PHE 66 N 0.32 1.14 -0.21 4.33 3.57 -0.15 -1.32 116.94 124.61 1h4b h PHE 66 Ca 0.09 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1h4b h PHE 66 Cb 0.07 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1h4b h PHE 66 CO -0.03 0.80 -0.00 1.15 -2.23 0.00 0.00 178.31 177.99 1h4b h THR 67 N 1.15 1.26 -0.69 4.41 2.02 0.06 0.34 112.91 121.46 1h4b h THR 67 Ca 0.29 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1h4b h THR 67 Cb 0.05 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1h4b h THR 67 CO -0.04 0.27 0.46 0.44 0.37 0.00 0.00 175.52 177.02 1h4b h ASP 68 N 0.14 0.73 0.53 4.18 3.32 -0.49 -1.65 116.42 123.18 1h4b h ASP 68 Ca 0.06 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.84 1h4b h ASP 68 Cb 0.40 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1h4b h ASP 68 CO 0.01 0.51 -1.15 0.15 -1.72 0.00 0.00 179.24 177.04 1h4b h PHE 69 N 0.85 0.54 -0.06 4.55 3.04 -0.99 -3.16 116.94 121.71 1h4b h PHE 69 Ca 0.27 -0.36 0.02 0.00 3.98 0.00 0.00 57.97 61.88 1h4b h PHE 69 Cb 0.04 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1h4b h PHE 69 CO -0.00 1.24 0.05 0.78 -2.02 0.00 0.00 178.31 178.36 1h4b h GLY 70 N 1.43 0.00 1.95 2.40 0.00 0.58 0.07 103.07 109.51 1h4b h GLY 70 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1h4b h GLY 70 CO 0.19 0.00 -0.68 3.21 0.00 0.00 0.00 176.54 179.26 1h4b h ARG 71 N 0.00 0.05 0.00 4.80 3.08 -1.35 0.11 114.38 121.08 1h4b h ARG 71 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1h4b h ARG 71 Cb 0.13 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1h4b h ARG 71 CO -0.00 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1h4b h ALA 72 N 1.28 1.00 -0.78 0.04 0.00 -1.03 -3.32 119.26 116.45 1h4b h ALA 72 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1h4b h ALA 72 Cb 1.20 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 1h4b h ALA 72 CO 0.09 0.00 -0.82 0.27 0.00 0.00 0.00 179.25 178.80 1h4b n ASN 73 N -2.43 -0.42 -0.28 0.00 0.23 -1.03 -4.95 115.26 106.36 1h4b n ASN 73 Ca 0.03 -2.97 0.08 0.00 -0.53 0.00 0.00 54.58 51.19 1h4b n ASN 73 Cb 0.32 0.41 0.23 0.00 -2.08 0.00 0.00 39.78 38.65 1h4b n ASN 73 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1h4b h ARG 74 N 2.76 0.51 -0.31 -3.83 3.08 -0.89 0.98 114.38 116.67 1h4b h ARG 74 Ca -0.09 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.02 1h4b h ARG 74 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1h4b h ARG 74 CO 0.28 0.34 0.43 0.78 -1.07 0.00 0.00 179.97 180.72 1h4b h GLY 75 N 0.52 0.00 0.82 0.04 0.00 -1.93 0.94 103.07 103.46 1h4b h GLY 75 Ca 0.46 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.57 1h4b h GLY 75 CO -0.41 0.00 -0.97 1.41 0.00 0.00 0.00 176.54 176.57 1h4b h LEU 76 N 0.00 0.56 -0.88 3.11 3.38 0.65 -3.05 115.31 119.08 1h4b h LEU 76 Ca 0.15 -0.95 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 1h4b h LEU 76 Cb 1.00 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1h4b h LEU 76 CO -0.00 1.47 0.46 -0.07 0.09 0.00 0.00 178.44 180.38 1h4b h LEU 77 N -0.25 1.13 -1.10 1.67 -0.00 -0.55 0.13 115.31 116.33 1h4b h LEU 77 Ca -0.17 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.52 1h4b h LEU 77 Cb 1.77 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 42.13 1h4b h LEU 77 CO 0.18 0.92 -0.20 0.11 -0.00 0.00 0.00 178.44 179.46 1h4b h LYS 78 N 1.25 0.40 0.03 1.13 1.57 -1.37 1.13 116.57 120.69 1h4b h LYS 78 Ca 0.31 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1h4b h LYS 78 Cb 0.07 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1h4b h LYS 78 CO -0.04 0.58 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.60 1h4b h ASP 79 N 0.36 0.29 -0.20 0.86 3.32 -1.27 -3.14 116.42 116.63 1h4b h ASP 79 Ca 0.06 -0.84 -0.20 0.00 0.02 0.00 0.00 57.03 56.07 1h4b h ASP 79 Cb 0.55 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.02 1h4b h ASP 79 CO 0.04 1.09 -0.67 1.62 -1.72 0.00 0.00 179.24 179.60 1h4b h VAL 80 N -0.49 1.28 -0.78 -1.35 3.04 -0.67 -3.10 116.25 114.18 1h4b h VAL 80 Ca -0.05 -1.87 0.17 0.00 -1.01 0.00 0.00 66.70 63.93 1h4b h VAL 80 Cb 1.17 1.86 -0.05 0.00 -2.01 0.00 0.00 31.29 32.26 1h4b h VAL 80 CO 0.07 0.60 0.52 0.00 -1.01 0.00 0.00 177.57 177.75 1h4b h ALA 81 N 0.59 2.19 0.00 3.17 0.00 0.12 0.16 119.26 125.50 1h4b h ALA 81 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1h4b h ALA 81 Cb 1.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1h4b h ALA 81 CO 0.14 -0.41 -0.30 0.87 0.00 0.00 0.00 179.25 179.56 1h4b h LYS 82 N 0.37 0.00 -0.69 0.00 1.57 -1.49 -3.22 116.57 113.11 1h4b h LYS 82 Ca 0.39 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.23 1h4b h LYS 82 Cb 0.97 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1h4b h LYS 82 CO -0.12 0.30 0.46 0.82 -0.57 0.00 0.00 179.45 180.33 1h4b h ILE 83 N 0.00 1.01 -0.02 1.86 2.04 -0.61 -3.52 117.51 118.27 1h4b h ILE 83 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1h4b h ILE 83 Cb 1.22 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1h4b h ILE 83 CO 0.04 0.13 0.00 0.49 0.00 0.00 0.00 178.15 178.81