#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4b h ASP 2 N 0.00 0.00 -3.67 0.00 3.32 -2.12 -3.41 116.42 110.54 1h4b h ASP 2 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1h4b h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h4b h ASP 2 CO 0.00 0.02 0.45 -1.81 -1.72 0.00 0.00 179.24 176.18 1h4b s ASP 3 N -6.86 7.34 0.40 6.45 1.01 -1.26 -5.05 116.67 118.71 1h4b s ASP 3 Ca -0.05 2.11 0.07 0.00 0.71 0.00 0.00 52.55 55.40 1h4b s ASP 3 Cb 0.16 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 1h4b s ASP 3 CO 0.65 -0.13 0.02 -1.38 0.21 0.00 0.00 175.17 174.54 1h4b s HIS 4 N -0.68 2.52 0.23 4.23 -3.43 -1.26 -5.02 115.29 111.88 1h4b s HIS 4 Ca 0.46 -0.64 0.30 0.00 -0.80 0.00 0.00 55.06 54.38 1h4b s HIS 4 Cb -0.29 -1.76 1.33 0.00 -1.43 0.00 0.00 32.58 30.42 1h4b s HIS 4 CO 0.36 0.43 1.98 -1.00 -2.00 0.00 0.00 174.74 174.52 1h4b h PRO 5 N 1.76 0.00 -0.69 -0.38 0.13 -1.98 -2.80 132.00 128.04 1h4b h PRO 5 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1h4b h PRO 5 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1h4b h PRO 5 CO 0.79 0.10 0.38 1.96 -0.23 0.00 0.00 178.00 181.00 1h4b h GLN 6 N 0.00 0.95 -0.19 0.86 4.20 -2.01 -2.61 115.11 116.31 1h4b h GLN 6 Ca -0.00 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1h4b h GLN 6 Cb 0.51 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1h4b h GLN 6 CO 0.01 0.70 -0.19 -0.44 -0.67 0.00 0.00 178.83 178.24 1h4b h ASP 7 N 0.96 -0.61 -1.04 1.46 3.32 -1.91 0.12 116.42 118.72 1h4b h ASP 7 Ca 0.24 0.11 0.27 0.00 0.02 0.00 0.00 57.03 57.68 1h4b h ASP 7 Cb 0.02 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.78 1h4b h ASP 7 CO -0.04 -0.24 0.68 0.11 -1.72 0.00 0.00 179.24 178.03 1h4b h LYS 8 N -0.21 0.35 -0.80 3.56 1.57 -1.63 0.46 116.57 119.88 1h4b h LYS 8 Ca 0.12 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1h4b h LYS 8 Cb 0.39 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 1h4b h LYS 8 CO -0.32 0.23 0.41 0.00 -0.57 0.00 0.00 179.45 179.20 1h4b h ALA 9 N 1.60 1.15 -0.46 3.86 0.00 -0.73 1.11 119.26 125.79 1h4b h ALA 9 Ca 0.58 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.42 1h4b h ALA 9 Cb 1.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1h4b h ALA 9 CO -0.26 -0.05 -0.25 0.93 0.00 0.00 0.00 179.25 179.61 1h4b h GLU 10 N 0.63 0.98 -0.48 0.00 5.08 -0.04 -0.92 114.58 119.83 1h4b h GLU 10 Ca 0.41 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1h4b h GLU 10 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1h4b h GLU 10 CO -0.32 1.11 -0.11 0.00 -1.00 0.00 0.00 179.01 178.70 1h4b h ARG 11 N 0.83 0.92 -0.68 2.33 3.08 -0.37 -0.80 114.38 119.68 1h4b h ARG 11 Ca 0.10 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1h4b h ARG 11 Cb 0.83 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1h4b h ARG 11 CO 0.07 1.00 0.12 0.93 -1.07 0.00 0.00 179.97 181.02 1h4b h GLU 12 N 0.76 1.12 -0.51 0.04 5.08 0.13 0.39 114.58 121.60 1h4b h GLU 12 Ca 0.12 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1h4b h GLU 12 Cb 0.66 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1h4b h GLU 12 CO 0.05 1.02 -0.15 0.00 -1.00 0.00 0.00 179.01 178.92 1h4b h ARG 13 N 1.05 0.99 -0.15 2.33 3.08 -0.96 0.31 114.38 121.03 1h4b h ARG 13 Ca 0.21 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1h4b h ARG 13 Cb 0.43 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1h4b h ARG 13 CO 0.01 1.07 -0.21 0.82 -1.07 0.00 0.00 179.97 180.60 1h4b h ILE 14 N 0.86 1.36 -0.42 2.04 2.04 -0.85 -1.99 117.51 120.54 1h4b h ILE 14 Ca 0.12 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 1h4b h ILE 14 Cb 0.72 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1h4b h ILE 14 CO 0.06 0.42 -0.01 0.15 0.00 0.00 0.00 178.15 178.76 1h4b h PHE 15 N 0.02 0.72 -0.02 1.37 3.57 -0.14 -1.66 116.94 120.81 1h4b h PHE 15 Ca 0.02 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1h4b h PHE 15 Cb 0.77 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1h4b h PHE 15 CO 0.09 0.69 -0.28 0.87 -2.23 0.00 0.00 178.31 177.45 1h4b h LYS 16 N 0.64 0.03 -0.23 1.11 1.57 -0.27 -1.52 116.57 117.90 1h4b h LYS 16 Ca 0.13 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1h4b h LYS 16 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1h4b h LYS 16 CO 0.02 0.31 -0.45 0.00 -0.57 0.00 0.00 179.45 178.76 1h4b h ARG 17 N 0.03 0.57 0.07 3.15 3.08 -0.53 -3.22 114.38 117.53 1h4b h ARG 17 Ca 0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1h4b h ARG 17 Cb 0.51 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1h4b h ARG 17 CO 0.04 0.91 -0.03 0.74 -1.07 0.00 0.00 179.97 180.55 1h4b h PHE 18 N 0.46 -0.09 -1.40 3.04 0.04 -0.96 -3.41 116.94 114.62 1h4b h PHE 18 Ca 0.03 -0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.28 1h4b h PHE 18 Cb 0.97 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1h4b h PHE 18 CO 0.04 0.39 1.59 -3.47 -0.60 0.00 0.00 178.31 176.27 1h4b n ASP 19 N -4.89 2.22 0.08 2.17 2.03 -0.63 -4.55 116.55 112.97 1h4b n ASP 19 Ca -0.09 -0.15 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 1h4b n ASP 19 Cb 0.26 -1.45 -0.08 0.00 -0.72 0.00 0.00 41.12 39.13 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 16.72 -0.19 0.00 -1.67 0.00 -1.83 -3.26 119.26 129.03 1h4b h ALA 20 Ca -0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1h4b h ALA 20 Cb 1.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1h4b h ALA 20 CO 1.13 -0.45 -1.00 -2.95 0.00 0.00 0.00 179.25 175.98 1h4b h ASN 21 N -0.51 0.00 -0.93 0.00 -1.07 -1.92 -3.48 115.58 107.67 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 0.35 0.00 0.61 0.07 0.00 0.00 177.43 178.49 1h4b n GLY 22 N 1.28 0.89 0.96 9.14 0.00 -1.23 -4.96 105.19 111.26 1h4b n GLY 22 Ca -0.03 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.88 2.86 0.00 1.61 5.75 -1.26 -4.90 116.55 121.49 1h4b n ASP 23 Ca 0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1h4b n ASP 23 Cb 0.40 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.38 0.74 3.12 6.12 0.00 -1.26 -5.04 105.19 110.24 1h4b n GLY 24 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.75 1.05 -0.11 1.61 -2.85 -1.26 -3.81 119.74 113.61 1h4b s LYS 25 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 1h4b s LYS 25 Cb 0.00 -1.03 -0.02 0.00 -2.06 0.00 0.00 37.83 34.72 1h4b s LYS 25 CO 0.00 0.27 -0.11 0.42 0.10 0.00 0.00 175.35 176.03 1h4b s ILE 26 N -0.50 3.28 0.40 3.79 1.01 -0.51 -4.81 121.20 123.86 1h4b s ILE 26 Ca 0.04 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1h4b s ILE 26 Cb -0.06 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1h4b s ILE 26 CO 0.00 0.54 0.38 -0.94 0.00 0.00 0.00 174.94 174.92 1h4b s SER 27 N -0.05 5.15 0.23 3.58 1.04 -1.26 -1.59 113.70 120.80 1h4b s SER 27 Ca -0.02 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1h4b s SER 27 Cb -0.14 -0.66 0.37 0.00 0.10 0.00 0.00 66.02 65.69 1h4b s SER 27 CO 0.04 -0.60 1.69 0.00 0.98 0.00 0.00 173.24 175.35 1h4b h ALA 28 N 1.04 0.80 -0.97 5.32 0.00 -1.92 0.74 119.26 124.26 1h4b h ALA 28 Ca -0.42 0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1h4b h ALA 28 Cb 1.26 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1h4b h ALA 28 CO 0.57 -0.33 0.63 0.00 0.00 0.00 0.00 179.25 180.11 1h4b h ALA 29 N 1.55 1.46 0.08 0.00 0.00 -1.96 1.87 119.26 122.27 1h4b h ALA 29 Ca 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1h4b h ALA 29 Cb 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h4b h ALA 29 CO -0.47 0.37 -0.04 0.93 0.00 0.00 0.00 179.25 180.04 1h4b h GLU 30 N 1.10 -0.11 -0.47 0.00 5.08 -0.78 -0.61 114.58 118.79 1h4b h GLU 30 Ca 0.43 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1h4b h GLU 30 Cb 0.24 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1h4b h GLU 30 CO -0.18 0.41 0.27 1.25 -1.00 0.00 0.00 179.01 179.75 1h4b h LEU 31 N -0.91 0.59 -0.55 1.33 6.46 0.50 -1.71 115.31 121.02 1h4b h LEU 31 Ca -0.01 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1h4b h LEU 31 Cb 0.56 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1h4b h LEU 31 CO 0.02 0.50 0.29 1.23 -0.62 0.00 0.00 178.44 179.86 1h4b h GLY 32 N 0.63 0.84 0.64 3.75 0.00 0.28 0.95 103.07 110.15 1h4b h GLY 32 Ca 0.17 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.17 1h4b h GLY 32 CO -0.03 0.37 0.36 0.83 0.00 0.00 0.00 176.54 178.07 1h4b h GLU 33 N 0.74 0.63 -0.29 4.80 5.08 -0.61 -0.06 114.58 124.86 1h4b h GLU 33 Ca 0.19 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 1h4b h GLU 33 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1h4b h GLU 33 CO -0.03 0.42 -0.45 0.00 -1.00 0.00 0.00 179.01 177.95 1h4b h ALA 34 N 1.36 0.65 -0.56 3.43 0.00 -0.90 -2.90 119.26 120.34 1h4b h ALA 34 Ca 0.30 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1h4b h ALA 34 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1h4b h ALA 34 CO -0.20 0.67 0.37 -0.07 0.00 0.00 0.00 179.25 180.02 1h4b h LEU 35 N 0.61 0.57 -1.63 0.00 3.38 0.41 -1.61 115.31 117.03 1h4b h LEU 35 Ca 0.04 -0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.35 1h4b h LEU 35 Cb 1.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1h4b h LEU 35 CO 0.10 0.39 1.07 0.11 0.09 0.00 0.00 178.44 180.20 1h4b h LYS 36 N 0.66 0.00 -0.41 1.13 1.57 -0.84 1.01 116.57 119.69 1h4b h LYS 36 Ca 0.22 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.12 1h4b h LYS 36 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1h4b h LYS 36 CO -0.06 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.23 1h4b h THR 37 N 0.00 0.45 -0.29 -0.16 1.03 -1.47 0.30 112.91 112.77 1h4b h THR 37 Ca 0.57 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.92 1h4b h THR 37 Cb 2.70 0.68 -0.02 0.00 -1.07 0.00 0.00 68.15 70.45 1h4b h THR 37 CO -0.01 0.00 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.40 1h4b h LEU 38 N 0.00 0.41 0.00 0.00 3.38 0.85 -3.45 115.31 116.50 1h4b h LEU 38 Ca 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h4b h LEU 38 Cb 1.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1h4b h LEU 38 CO -0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1h4b n GLY 39 N -0.89 0.28 2.68 0.83 0.00 0.11 -4.76 105.19 103.42 1h4b n GLY 39 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.40 -0.99 -4.10 1.61 2.88 -1.26 -5.12 113.62 106.24 1h4b n SER 40 Ca 0.00 -2.61 -0.11 0.00 -1.33 0.00 0.00 58.87 54.82 1h4b n SER 40 Cb 0.20 0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 64.18 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 -0.73 0.54 0.35 2.46 1.10 -1.26 -5.16 121.20 118.50 1h4b s ILE 41 Ca 0.24 -1.41 0.07 0.00 -0.51 0.00 0.00 60.65 59.04 1h4b s ILE 41 Cb 0.41 -1.01 -0.02 0.00 0.15 0.00 0.00 42.46 41.99 1h4b s ILE 41 CO -0.05 -0.60 0.39 0.42 -2.11 0.00 0.00 174.94 172.98 1h4b s THR 42 N -2.33 3.64 0.29 4.00 -4.23 -1.26 -5.01 115.64 110.74 1h4b s THR 42 Ca -0.02 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1h4b s THR 42 Cb -0.04 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1h4b s THR 42 CO -0.02 -0.14 1.68 1.55 -0.54 0.00 0.00 174.62 177.15 1h4b h PRO 43 N 1.05 0.26 0.00 3.99 0.13 -2.00 -2.73 132.00 132.70 1h4b h PRO 43 Ca -0.45 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1h4b h PRO 43 Cb 1.26 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h4b h PRO 43 CO 0.55 0.64 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.42 1h4b h ASP 44 N 0.21 0.00 0.50 1.44 3.32 -1.99 -0.67 116.42 119.23 1h4b h ASP 44 Ca 0.02 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.77 1h4b h ASP 44 Cb 0.84 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.40 1h4b h ASP 44 CO 0.07 0.10 -1.36 -0.33 -1.72 0.00 0.00 179.24 176.00 1h4b h GLU 45 N 0.00 0.35 -0.63 3.56 4.39 -1.89 -1.72 114.58 118.64 1h4b h GLU 45 Ca -0.00 -0.59 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 1h4b h GLU 45 Cb 0.21 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1h4b h GLU 45 CO 0.01 1.27 0.14 0.28 -1.16 0.00 0.00 179.01 179.56 1h4b h VAL 46 N 0.09 1.25 -0.15 3.13 2.07 -1.23 0.31 116.25 121.72 1h4b h VAL 46 Ca -0.19 -0.92 -0.18 0.00 0.82 0.00 0.00 66.70 66.23 1h4b h VAL 46 Cb 2.04 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1h4b h VAL 46 CO 0.22 0.35 -0.66 0.11 0.02 0.00 0.00 177.57 177.61 1h4b h LYS 47 N 0.95 0.57 -0.37 1.57 1.57 -1.18 -2.72 116.57 116.96 1h4b h LYS 47 Ca 0.20 -0.42 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1h4b h LYS 47 Cb 0.35 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1h4b h LYS 47 CO 0.00 1.04 -0.23 1.25 -0.57 0.00 0.00 179.45 180.94 1h4b h HIS 48 N 0.41 0.84 -0.18 -1.35 2.76 -0.73 -0.75 115.15 116.15 1h4b h HIS 48 Ca -0.02 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1h4b h HIS 48 Cb 1.23 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1h4b h HIS 48 CO 0.05 0.90 0.11 0.52 -1.30 0.00 0.00 177.93 178.21 1h4b h MET 49 N 0.65 0.23 -0.16 5.26 2.86 -0.27 -0.86 114.93 122.64 1h4b h MET 49 Ca 0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h4b h MET 49 Cb 0.73 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1h4b h MET 49 CO 0.06 0.17 0.08 0.52 1.06 0.00 0.00 176.91 178.80 1h4b h MET 50 N 0.23 0.22 0.00 1.72 2.07 -1.29 1.16 114.93 119.03 1h4b h MET 50 Ca 0.06 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1h4b h MET 50 Cb -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1h4b h MET 50 CO -0.01 0.23 0.16 0.00 1.07 0.00 0.00 176.91 178.35 1h4b h ALA 51 N 0.98 1.16 0.00 6.32 0.00 -0.76 1.67 119.26 128.63 1h4b h ALA 51 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.59 1h4b h ALA 51 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1h4b h ALA 51 CO -0.01 -0.16 -2.42 0.39 0.00 0.00 0.00 179.25 177.05 1h4b n GLU 52 N -2.94 0.67 0.09 0.00 1.02 -0.23 -4.45 120.64 114.81 1h4b n GLU 52 Ca -0.02 0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1h4b n GLU 52 Cb 0.22 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.52 -1.56 -3.67 2.04 0.23 -3.43 117.51 112.64 1h4b h ILE 53 Ca -0.56 -3.12 -0.48 0.00 1.00 0.00 0.00 64.86 61.70 1h4b h ILE 53 Cb 1.98 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.98 1h4b h ILE 53 CO -0.05 0.90 1.62 -0.67 0.00 0.00 0.00 178.15 179.95 1h4b n ASP 54 N -3.49 2.33 -0.04 1.72 2.03 0.56 -4.81 116.55 114.86 1h4b n ASP 54 Ca -0.07 -0.37 -0.13 0.00 0.52 0.00 0.00 54.79 54.73 1h4b n ASP 54 Cb 1.01 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.78 1h4b n ASP 54 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1h4b h THR 55 N 7.64 1.37 0.13 5.18 1.35 -1.86 -3.33 112.91 123.39 1h4b h THR 55 Ca -0.25 -1.27 -0.33 0.00 -0.55 0.00 0.00 66.41 64.00 1h4b h THR 55 Cb 1.27 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 1h4b h THR 55 CO 1.14 0.36 -1.74 -2.24 -0.25 0.00 0.00 175.52 172.79 1h4b h ASP 56 N -0.21 0.42 0.00 5.36 2.03 -1.92 -3.49 116.42 118.62 1h4b h ASP 56 Ca 0.01 -0.70 0.00 0.00 -0.73 0.00 0.00 57.03 55.61 1h4b h ASP 56 Cb 0.62 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1h4b h ASP 56 CO 0.02 1.61 0.00 0.61 -1.03 0.00 0.00 179.24 180.45 1h4b n GLY 57 N 1.80 1.80 0.00 7.15 0.00 -1.25 -4.97 105.19 109.72 1h4b n GLY 57 Ca -0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 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 1.06 0.24 3.17 6.12 0.00 -1.26 -5.06 105.19 109.46 1h4b n GLY 59 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.04 1.00 -0.16 1.61 0.08 -1.26 -4.41 117.98 112.80 1h4b s PHE 60 Ca 0.00 -0.70 -0.04 0.00 0.12 0.00 0.00 56.93 56.30 1h4b s PHE 60 Cb 0.00 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 1h4b s PHE 60 CO 0.00 -0.04 -0.02 0.42 -0.10 0.00 0.00 175.22 175.49 1h4b s ILE 61 N -2.66 4.07 0.43 0.64 -1.09 -0.62 -4.78 121.20 117.19 1h4b s ILE 61 Ca 0.06 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 1h4b s ILE 61 Cb -0.01 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1h4b s ILE 61 CO -0.01 0.49 0.61 -0.44 -1.23 0.00 0.00 174.94 174.35 1h4b s SER 62 N 0.36 5.72 0.25 3.58 0.01 -1.26 -1.42 113.70 120.94 1h4b s SER 62 Ca -0.03 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1h4b s SER 62 Cb -0.14 -1.10 0.44 0.00 0.21 0.00 0.00 66.02 65.43 1h4b s SER 62 CO 0.02 -0.72 1.80 0.15 0.41 0.00 0.00 173.24 174.90 1h4b h PHE 63 N 0.54 0.85 -0.19 2.43 3.57 -1.97 0.30 116.94 122.46 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 0.31 0.11 0.37 -2.23 0.00 0.00 178.31 177.29 1h4b h GLN 64 N 0.76 0.26 -0.30 1.11 5.75 -1.93 0.22 115.11 120.98 1h4b h GLN 64 Ca 0.42 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1h4b h GLN 64 Cb 0.44 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1h4b h GLN 64 CO -0.28 0.24 0.19 0.93 -2.65 0.00 0.00 178.83 177.26 1h4b h GLU 65 N 0.22 0.41 -0.92 1.69 5.08 -1.53 0.81 114.58 120.34 1h4b h GLU 65 Ca 0.07 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1h4b h GLU 65 Cb 0.04 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1h4b h GLU 65 CO -0.01 0.31 0.61 0.35 -1.00 0.00 0.00 179.01 179.26 1h4b h PHE 66 N 0.39 1.15 -0.26 4.33 3.57 -0.17 -0.74 116.94 125.21 1h4b h PHE 66 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1h4b h PHE 66 Cb -0.00 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1h4b h PHE 66 CO -0.05 0.70 0.08 1.15 -2.23 0.00 0.00 178.31 177.96 1h4b h THR 67 N 1.22 1.20 -0.98 4.41 2.02 0.10 1.52 112.91 122.40 1h4b h THR 67 Ca 0.35 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.92 1h4b h THR 67 Cb -0.09 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1h4b h THR 67 CO -0.09 0.21 0.64 0.44 0.37 0.00 0.00 175.52 177.09 1h4b h ASP 68 N 0.25 1.06 0.53 4.18 3.32 -0.27 0.38 116.42 125.87 1h4b h ASP 68 Ca 0.08 -0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.83 1h4b h ASP 68 Cb 0.25 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1h4b h ASP 68 CO -0.00 0.72 -1.31 0.15 -1.72 0.00 0.00 179.24 177.08 1h4b h PHE 69 N 1.23 0.64 -0.15 4.55 3.04 -0.79 -3.19 116.94 122.26 1h4b h PHE 69 Ca 0.39 -0.46 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1h4b h PHE 69 Cb 0.02 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1h4b h PHE 69 CO -0.00 1.36 0.08 0.78 -2.02 0.00 0.00 178.31 178.51 1h4b h GLY 70 N 1.18 0.22 1.55 2.40 0.00 0.29 -0.69 103.07 108.02 1h4b h GLY 70 Ca -0.17 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 1h4b h GLY 70 CO 0.22 0.08 -0.48 3.21 0.00 0.00 0.00 176.54 179.58 1h4b h ARG 71 N 0.21 0.49 -0.00 4.80 3.08 -0.94 0.23 114.38 122.24 1h4b h ARG 71 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1h4b h ARG 71 Cb 0.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1h4b h ARG 71 CO -0.01 0.86 -0.02 0.00 -1.07 0.00 0.00 179.97 179.73 1h4b n ALA 72 N -2.50 2.64 -2.70 0.04 0.00 -0.36 -3.84 120.51 113.78 1h4b n ALA 72 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1h4b n ALA 72 Cb 0.56 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1h4b n ALA 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h4b n ASN 73 N -0.98 -0.02 -0.08 0.00 3.02 -0.62 -4.95 115.26 111.63 1h4b n ASN 73 Ca 0.19 -2.44 -0.07 0.00 -0.03 0.00 0.00 54.58 52.23 1h4b n ASN 73 Cb 0.20 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 2.33 0.16 -0.27 3.52 3.08 -0.67 0.34 114.38 122.87 1h4b h ARG 74 Ca -0.21 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.90 1h4b h ARG 74 Cb 1.25 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1h4b h ARG 74 CO 0.17 0.11 0.35 0.78 -1.07 0.00 0.00 179.97 180.30 1h4b h GLY 75 N 0.17 0.00 0.62 0.04 0.00 -1.92 0.13 103.07 102.11 1h4b h GLY 75 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 1h4b h GLY 75 CO -0.19 0.00 -0.71 1.41 0.00 0.00 0.00 176.54 177.05 1h4b h LEU 76 N 0.00 0.42 -1.14 3.11 4.07 -0.72 -3.18 115.31 117.87 1h4b h LEU 76 Ca 0.13 -0.95 -0.03 0.00 0.08 0.00 0.00 57.88 57.11 1h4b h LEU 76 Cb 0.82 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.39 1h4b h LEU 76 CO -0.00 1.34 0.21 -0.07 -1.08 0.00 0.00 178.44 178.83 1h4b h LEU 77 N -0.42 0.74 -1.85 1.67 3.38 0.10 -1.17 115.31 117.75 1h4b h LEU 77 Ca -0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1h4b h LEU 77 Cb 1.55 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1h4b h LEU 77 CO 0.13 0.68 -0.04 0.11 0.09 0.00 0.00 178.44 179.41 1h4b h LYS 78 N 0.80 0.00 0.11 1.13 1.57 -1.23 -1.24 116.57 117.70 1h4b h LYS 78 Ca 0.19 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.69 1h4b h LYS 78 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1h4b h LYS 78 CO -0.02 0.04 -1.34 0.22 -0.57 0.00 0.00 179.45 177.79 1h4b h ASP 79 N 0.00 0.35 0.68 0.86 3.58 -1.20 -3.32 116.42 117.38 1h4b h ASP 79 Ca -0.00 -0.42 -0.23 0.00 0.42 0.00 0.00 57.03 56.80 1h4b h ASP 79 Cb 0.39 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1h4b h ASP 79 CO 0.01 1.34 -1.04 0.58 -2.88 0.00 0.00 179.24 177.24 1h4b h VAL 80 N 0.06 1.54 -0.63 2.25 2.07 -1.10 -3.29 116.25 117.15 1h4b h VAL 80 Ca -0.17 -2.96 0.12 0.00 0.82 0.00 0.00 66.70 64.52 1h4b h VAL 80 Cb 1.97 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 34.38 1h4b h VAL 80 CO 0.18 0.86 0.15 0.00 0.02 0.00 0.00 177.57 178.77 1h4b h ALA 81 N 0.82 0.77 0.00 1.67 0.00 -1.33 0.36 119.26 121.55 1h4b h ALA 81 Ca -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1h4b h ALA 81 Cb 1.74 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1h4b h ALA 81 CO 0.16 -0.30 -0.09 0.87 0.00 0.00 0.00 179.25 179.89 1h4b h LYS 82 N 0.28 0.00 -0.15 0.00 1.57 -1.68 -2.64 116.57 113.95 1h4b h LYS 82 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1h4b h LYS 82 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h4b h LYS 82 CO -0.42 0.09 -0.00 0.82 -0.57 0.00 0.00 179.45 179.37 1h4b h ILE 83 N 0.00 1.26 -0.02 1.86 2.04 -0.38 -3.53 117.51 118.74 1h4b h ILE 83 Ca -0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1h4b h ILE 83 Cb 0.26 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1h4b h ILE 83 CO 0.01 0.25 0.00 0.49 0.00 0.00 0.00 178.15 178.90