#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 2.18 -4.77 0.00 5.75 -1.26 -4.91 116.55 113.55 1h4b n ASP 2 Ca 0.00 -2.18 -0.37 0.00 -0.01 0.00 0.00 54.79 52.23 1h4b n ASP 2 Cb 0.00 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.71 1h4b n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1h4b s ASP 3 N -0.66 6.07 0.15 -1.12 1.01 -1.26 -5.04 116.67 115.82 1h4b s ASP 3 Ca 0.20 2.31 0.07 0.00 0.71 0.00 0.00 52.55 55.84 1h4b s ASP 3 Cb 0.13 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1h4b s ASP 3 CO 0.10 -0.99 -0.01 -2.28 0.21 0.00 0.00 175.17 172.20 1h4b s HIS 4 N -1.57 2.87 0.39 4.23 2.46 -1.26 -4.99 115.29 117.42 1h4b s HIS 4 Ca 0.65 -0.11 0.39 0.00 0.47 0.00 0.00 55.06 56.46 1h4b s HIS 4 Cb -0.28 -1.42 1.94 0.00 -0.13 0.00 0.00 32.58 32.69 1h4b s HIS 4 CO 0.34 0.50 2.18 -1.00 -2.47 0.00 0.00 174.74 174.29 1h4b h PRO 5 N 2.96 0.00 -0.92 2.88 0.13 -2.02 -2.23 132.00 132.81 1h4b h PRO 5 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1h4b h PRO 5 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1h4b h PRO 5 CO 0.58 0.00 0.61 1.96 -0.23 0.00 0.00 178.00 180.91 1h4b h GLN 6 N 0.00 1.18 -0.79 0.86 4.20 -2.02 -1.89 115.11 116.67 1h4b h GLN 6 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1h4b h GLN 6 Cb 0.21 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1h4b h GLN 6 CO 0.00 0.78 0.51 -0.44 -0.67 0.00 0.00 178.83 179.01 1h4b h ASP 7 N 1.22 0.92 -0.94 1.46 3.32 -1.81 -1.60 116.42 118.99 1h4b h ASP 7 Ca 0.34 -0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.53 1h4b h ASP 7 Cb -0.11 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.13 1h4b h ASP 7 CO -0.08 0.68 0.60 0.11 -1.72 0.00 0.00 179.24 178.83 1h4b h LYS 8 N 1.07 0.62 -0.54 3.56 1.57 -1.47 0.18 116.57 121.57 1h4b h LYS 8 Ca 0.29 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1h4b h LYS 8 Cb -0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 1h4b h LYS 8 CO -0.06 0.41 0.31 0.00 -0.57 0.00 0.00 179.45 179.54 1h4b h ALA 9 N 1.61 0.70 -0.25 3.86 0.00 -1.22 1.39 119.26 125.35 1h4b h ALA 9 Ca 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1h4b h ALA 9 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1h4b h ALA 9 CO -0.25 0.00 -0.02 0.93 0.00 0.00 0.00 179.25 179.91 1h4b h GLU 10 N 0.60 0.45 -0.70 0.00 5.08 -0.70 0.29 114.58 119.60 1h4b h GLU 10 Ca 0.23 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1h4b h GLU 10 Cb 0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1h4b h GLU 10 CO -0.12 0.64 0.20 0.00 -1.00 0.00 0.00 179.01 178.73 1h4b h ARG 11 N 0.21 1.10 -0.57 2.33 3.08 -0.38 0.55 114.38 120.70 1h4b h ARG 11 Ca 0.07 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1h4b h ARG 11 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1h4b h ARG 11 CO 0.02 0.95 0.04 0.93 -1.07 0.00 0.00 179.97 180.84 1h4b h GLU 12 N 1.05 0.98 -0.51 0.04 5.08 0.21 0.55 114.58 121.97 1h4b h GLU 12 Ca 0.22 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1h4b h GLU 12 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1h4b h GLU 12 CO -0.00 0.96 -0.11 0.00 -1.00 0.00 0.00 179.01 178.85 1h4b h ARG 13 N 0.87 0.99 -0.15 2.33 3.08 -0.54 0.46 114.38 121.42 1h4b h ARG 13 Ca 0.17 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1h4b h ARG 13 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1h4b h ARG 13 CO 0.02 1.05 -0.17 0.82 -1.07 0.00 0.00 179.97 180.62 1h4b h ILE 14 N 0.85 1.35 -0.37 2.04 2.04 -0.63 -2.11 117.51 120.68 1h4b h ILE 14 Ca 0.13 -1.36 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 1h4b h ILE 14 Cb 0.68 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1h4b h ILE 14 CO 0.05 0.40 -0.11 0.15 0.00 0.00 0.00 178.15 178.64 1h4b h PHE 15 N 0.00 0.71 -0.09 1.37 3.04 0.19 -2.07 116.94 120.09 1h4b h PHE 15 Ca 0.02 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 1h4b h PHE 15 Cb 0.72 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1h4b h PHE 15 CO 0.09 0.74 -0.17 0.87 -2.02 0.00 0.00 178.31 177.82 1h4b h LYS 16 N 0.60 0.15 -0.05 1.11 1.57 0.04 -1.36 116.57 118.62 1h4b h LYS 16 Ca 0.11 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1h4b h LYS 16 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h4b h LYS 16 CO 0.03 0.32 -0.70 0.00 -0.57 0.00 0.00 179.45 178.54 1h4b h ARG 17 N 0.14 0.26 -0.14 3.15 3.08 -0.70 -3.21 114.38 116.95 1h4b h ARG 17 Ca 0.03 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 1h4b h ARG 17 Cb 0.39 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1h4b h ARG 17 CO 0.03 0.85 -0.27 0.74 -1.07 0.00 0.00 179.97 180.24 1h4b h PHE 18 N 0.18 0.55 -1.89 3.04 0.04 -0.89 -3.40 116.94 114.55 1h4b h PHE 18 Ca -0.02 -0.20 -0.51 0.00 2.80 0.00 0.00 57.97 60.05 1h4b h PHE 18 Cb 1.25 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1h4b h PHE 18 CO 0.03 0.90 1.51 0.34 -0.60 0.00 0.00 178.31 180.48 1h4b s ASP 19 N -6.36 4.98 0.04 2.17 2.15 -0.58 -4.45 116.67 114.61 1h4b s ASP 19 Ca -0.14 1.11 -0.25 0.00 0.43 0.00 0.00 52.55 53.70 1h4b s ASP 19 Cb 0.05 -2.51 -0.17 0.00 -0.30 0.00 0.00 42.92 39.99 1h4b s ASP 19 CO 0.78 -2.46 1.47 0.00 -0.17 0.00 0.00 175.17 174.79 1h4b h ALA 20 N 16.96 -0.22 0.00 3.66 0.00 -1.84 -3.22 119.26 134.60 1h4b h ALA 20 Ca -0.29 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1h4b h ALA 20 Cb 1.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1h4b h ALA 20 CO 1.12 -0.51 -0.99 -2.95 0.00 0.00 0.00 179.25 175.91 1h4b h ASN 21 N -0.44 0.00 -1.10 0.00 -1.07 -1.91 -3.48 115.58 107.58 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 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.59 1h4b h ASN 21 CO 0.04 0.24 0.00 0.61 0.07 0.00 0.00 177.43 178.39 1h4b n GLY 22 N 1.25 0.82 1.07 9.14 0.00 -1.22 -4.96 105.19 111.29 1h4b n GLY 22 Ca -0.03 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.70 3.17 0.00 1.61 5.75 -1.26 -4.91 116.55 121.61 1h4b n ASP 23 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1h4b n ASP 23 Cb 0.43 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.45 0.80 3.13 6.12 0.00 -1.26 -5.04 105.19 110.40 1h4b n GLY 24 Ca 0.19 0.00 -0.22 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 -0.74 1.16 -0.10 1.61 -2.85 -1.26 -3.72 119.74 113.84 1h4b s LYS 25 Ca 0.00 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 1h4b s LYS 25 Cb 0.00 -1.14 -0.02 0.00 -2.06 0.00 0.00 37.83 34.61 1h4b s LYS 25 CO 0.00 0.31 -0.12 0.42 0.10 0.00 0.00 175.35 176.05 1h4b s ILE 26 N -0.47 3.16 0.41 3.79 1.01 -0.61 -4.81 121.20 123.67 1h4b s ILE 26 Ca 0.05 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1h4b s ILE 26 Cb -0.06 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1h4b s ILE 26 CO -0.00 0.55 0.34 -0.94 0.00 0.00 0.00 174.94 174.89 1h4b s SER 27 N -0.15 4.95 0.21 3.58 1.04 -1.26 -1.55 113.70 120.52 1h4b s SER 27 Ca -0.00 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 1h4b s SER 27 Cb -0.13 -0.58 0.28 0.00 0.10 0.00 0.00 66.02 65.68 1h4b s SER 27 CO 0.03 -0.61 1.68 0.00 0.98 0.00 0.00 173.24 175.32 1h4b h ALA 28 N 1.11 0.62 -0.77 5.32 0.00 -1.93 0.72 119.26 124.34 1h4b h ALA 28 Ca -0.42 0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1h4b h ALA 28 Cb 1.26 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1h4b h ALA 28 CO 0.60 -0.36 0.50 0.00 0.00 0.00 0.00 179.25 179.98 1h4b h ALA 29 N 1.51 1.76 0.02 0.00 0.00 -1.96 1.80 119.26 122.39 1h4b h ALA 29 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1h4b h ALA 29 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h4b h ALA 29 CO -0.46 0.08 -0.01 0.93 0.00 0.00 0.00 179.25 179.79 1h4b h GLU 30 N 0.72 -0.02 -0.68 0.00 5.08 -0.74 -1.25 114.58 117.69 1h4b h GLU 30 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1h4b h GLU 30 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1h4b h GLU 30 CO -0.13 0.61 0.34 1.25 -1.00 0.00 0.00 179.01 180.08 1h4b h LEU 31 N -0.98 0.87 -0.33 1.33 6.46 0.50 -1.33 115.31 121.84 1h4b h LEU 31 Ca -0.00 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1h4b h LEU 31 Cb 0.64 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1h4b h LEU 31 CO 0.00 0.74 0.11 1.23 -0.62 0.00 0.00 178.44 179.90 1h4b h GLY 32 N 0.94 0.54 0.61 3.75 0.00 0.27 0.51 103.07 109.69 1h4b h GLY 32 Ca 0.23 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1h4b h GLY 32 CO -0.03 0.30 0.43 0.83 0.00 0.00 0.00 176.54 178.07 1h4b h GLU 33 N 0.38 0.74 -0.20 4.80 5.08 -0.81 0.24 114.58 124.80 1h4b h GLU 33 Ca 0.11 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 1h4b h GLU 33 Cb 0.24 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1h4b h GLU 33 CO -0.00 0.49 -0.70 0.00 -1.00 0.00 0.00 179.01 177.80 1h4b h ALA 34 N 1.40 0.37 -0.41 3.43 0.00 -0.91 -2.99 119.26 120.15 1h4b h ALA 34 Ca 0.35 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1h4b h ALA 34 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1h4b h ALA 34 CO -0.21 0.68 0.27 -0.07 0.00 0.00 0.00 179.25 179.92 1h4b h LEU 35 N 0.59 0.40 -1.51 0.00 3.38 0.12 -1.53 115.31 116.77 1h4b h LEU 35 Ca -0.03 -0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.23 1h4b h LEU 35 Cb 1.32 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1h4b h LEU 35 CO 0.15 0.28 1.02 0.11 0.09 0.00 0.00 178.44 180.08 1h4b h LYS 36 N 0.46 0.00 -0.49 1.13 1.57 -0.42 0.66 116.57 119.49 1h4b h LYS 36 Ca 0.16 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.09 1h4b h LYS 36 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1h4b h LYS 36 CO -0.04 0.00 0.66 0.00 -0.57 0.00 0.00 179.45 179.51 1h4b h THR 37 N 0.00 0.19 -0.07 -0.16 1.03 -1.46 1.16 112.91 113.60 1h4b h THR 37 Ca 0.48 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.81 1h4b h THR 37 Cb 2.51 0.44 -0.01 0.00 -1.07 0.00 0.00 68.15 70.02 1h4b h THR 37 CO -0.01 0.00 -0.30 -0.07 -0.01 0.00 0.00 175.52 175.14 1h4b h LEU 38 N 0.00 0.13 0.00 0.00 3.38 0.11 -3.45 115.31 115.47 1h4b h LEU 38 Ca 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1h4b h LEU 38 Cb 1.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1h4b h LEU 38 CO -0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1h4b n GLY 39 N -0.56 0.15 2.69 0.83 0.00 0.40 -4.74 105.19 103.96 1h4b n GLY 39 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.68 -1.22 -4.25 1.61 2.88 -1.26 -5.13 113.62 105.57 1h4b n SER 40 Ca 0.00 -2.48 -0.14 0.00 -1.33 0.00 0.00 58.87 54.92 1h4b n SER 40 Cb 0.34 0.69 -0.10 0.00 -0.75 0.00 0.00 64.21 64.39 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 -0.47 0.28 0.33 2.46 2.07 -1.26 -5.17 121.20 119.45 1h4b s ILE 41 Ca 0.22 -1.99 0.07 0.00 -1.41 0.00 0.00 60.65 57.54 1h4b s ILE 41 Cb 0.41 -2.51 -0.07 0.00 0.13 0.00 0.00 42.46 40.43 1h4b s ILE 41 CO -0.07 -0.05 -0.04 0.42 -1.91 0.00 0.00 174.94 173.29 1h4b s THR 42 N -3.95 1.85 0.28 4.00 -4.23 -1.26 -5.03 115.64 107.30 1h4b s THR 42 Ca 0.37 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1h4b s THR 42 Cb 0.07 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1h4b s THR 42 CO 0.12 -0.16 1.66 1.55 -0.54 0.00 0.00 174.62 177.25 1h4b h PRO 43 N 2.06 0.25 0.00 3.99 0.13 -1.99 -2.81 132.00 133.64 1h4b h PRO 43 Ca -0.42 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1h4b h PRO 43 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 43 CO 0.72 0.66 -0.07 -0.44 -0.23 0.00 0.00 178.00 178.63 1h4b h ASP 44 N 0.21 0.00 0.45 1.44 3.32 -1.99 0.49 116.42 120.34 1h4b h ASP 44 Ca 0.01 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 44 Cb 0.89 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.45 1h4b h ASP 44 CO 0.07 0.07 -1.42 -0.33 -1.72 0.00 0.00 179.24 175.92 1h4b h GLU 45 N 0.00 0.35 -0.32 3.56 5.08 -1.92 -2.86 114.58 118.47 1h4b h GLU 45 Ca -0.00 -0.60 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1h4b h GLU 45 Cb 0.14 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1h4b h GLU 45 CO 0.01 1.27 -0.09 0.28 -1.00 0.00 0.00 179.01 179.48 1h4b h VAL 46 N 0.10 1.22 -0.34 3.13 2.07 -1.17 -0.49 116.25 120.77 1h4b h VAL 46 Ca -0.21 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 1h4b h VAL 46 Cb 2.05 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1h4b h VAL 46 CO 0.21 0.32 -0.37 0.11 0.02 0.00 0.00 177.57 177.86 1h4b h LYS 47 N 0.49 0.81 -0.40 1.57 1.57 -0.96 -1.87 116.57 117.78 1h4b h LYS 47 Ca 0.10 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.34 1h4b h LYS 47 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1h4b h LYS 47 CO 0.02 1.04 -0.27 1.25 -0.57 0.00 0.00 179.45 180.92 1h4b h HIS 48 N 0.67 0.98 -0.19 -1.35 2.76 -1.19 -0.52 115.15 116.31 1h4b h HIS 48 Ca 0.06 -0.25 -0.01 0.00 -2.20 0.00 0.00 60.37 57.97 1h4b h HIS 48 Cb 0.93 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1h4b h HIS 48 CO 0.05 1.02 0.09 0.52 -1.30 0.00 0.00 177.93 178.32 1h4b h MET 49 N 0.72 0.27 -0.31 5.26 2.86 -0.92 -0.86 114.93 121.96 1h4b h MET 49 Ca 0.09 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1h4b h MET 49 Cb 0.82 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1h4b h MET 49 CO 0.07 0.30 0.17 0.52 1.06 0.00 0.00 176.91 179.03 1h4b h MET 50 N 0.18 0.44 0.00 1.72 2.07 -1.21 0.58 114.93 118.72 1h4b h MET 50 Ca 0.07 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1h4b h MET 50 Cb 0.11 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.76 1h4b h MET 50 CO -0.01 0.37 0.00 0.00 1.07 0.00 0.00 176.91 178.34 1h4b h ALA 51 N 1.04 1.00 0.04 6.32 0.00 -0.81 1.54 119.26 128.39 1h4b h ALA 51 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 51 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1h4b h ALA 51 CO -0.02 0.00 -2.13 0.39 0.00 0.00 0.00 179.25 177.50 1h4b n GLU 52 N -3.02 0.69 0.05 0.00 1.02 -0.23 -4.27 120.64 114.86 1h4b n GLU 52 Ca -0.03 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.21 1h4b n GLU 52 Cb 0.07 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.72 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 0.02 1.48 -1.63 -3.67 2.04 0.12 -3.43 117.51 112.43 1h4b h ILE 53 Ca -0.45 -3.20 -0.48 0.00 1.00 0.00 0.00 64.86 61.73 1h4b h ILE 53 Cb 2.04 2.76 0.01 0.00 -0.74 0.00 0.00 36.82 40.89 1h4b h ILE 53 CO 0.03 0.86 1.62 -0.67 0.00 0.00 0.00 178.15 179.99 1h4b n ASP 54 N -3.31 2.41 -0.03 1.72 2.03 0.52 -4.80 116.55 115.08 1h4b n ASP 54 Ca -0.06 -0.41 -0.14 0.00 0.52 0.00 0.00 54.79 54.70 1h4b n ASP 54 Cb 0.98 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.71 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 1.45 0.00 5.18 1.35 -1.87 -3.31 112.91 123.35 1h4b h THR 55 Ca -0.26 -1.62 -0.25 0.00 -0.55 0.00 0.00 66.41 63.73 1h4b h THR 55 Cb 1.27 2.35 -0.04 0.00 -1.73 0.00 0.00 68.15 70.00 1h4b h THR 55 CO 1.14 0.45 -1.35 -2.24 -0.25 0.00 0.00 175.52 173.27 1h4b h ASP 56 N -0.29 0.00 0.00 5.36 3.04 -1.92 -3.48 116.42 119.13 1h4b h ASP 56 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1h4b h ASP 56 Cb 0.84 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 1h4b h ASP 56 CO 0.04 1.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.85 1h4b n GLY 57 N 1.45 1.24 0.10 7.15 0.00 -1.25 -4.96 105.19 108.93 1h4b n GLY 57 Ca -0.08 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.80 0.37 0.00 1.61 5.75 -1.26 -4.87 116.55 118.94 1h4b n ASP 58 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1h4b n ASP 58 Cb 0.16 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.20 0.19 3.18 6.12 0.00 -1.26 -5.06 105.19 109.56 1h4b n GLY 59 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.03 1.06 -0.18 1.61 0.08 -1.26 -4.47 117.98 112.79 1h4b s PHE 60 Ca 0.00 -0.65 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 1h4b s PHE 60 Cb 0.00 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.84 1h4b s PHE 60 CO 0.00 -0.00 0.02 0.42 -0.10 0.00 0.00 175.22 175.56 1h4b s ILE 61 N -2.43 4.35 0.46 0.64 -1.09 -0.59 -4.77 121.20 117.77 1h4b s ILE 61 Ca 0.05 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1h4b s ILE 61 Cb -0.03 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1h4b s ILE 61 CO 0.00 0.45 0.67 -0.44 -1.23 0.00 0.00 174.94 174.39 1h4b s SER 62 N 0.59 5.70 0.25 3.58 0.01 -1.26 -1.58 113.70 121.00 1h4b s SER 62 Ca 0.01 0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 1h4b s SER 62 Cb -0.14 -1.30 0.43 0.00 0.21 0.00 0.00 66.02 65.22 1h4b s SER 62 CO 0.02 -0.79 1.80 0.15 0.41 0.00 0.00 173.24 174.83 1h4b h PHE 63 N 0.37 0.84 -0.05 2.43 3.57 -1.97 0.24 116.94 122.38 1h4b h PHE 63 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1h4b h PHE 63 Cb 1.26 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1h4b h PHE 63 CO 0.43 0.31 0.03 0.37 -2.23 0.00 0.00 178.31 177.22 1h4b h GLN 64 N 0.76 0.07 -0.34 1.11 5.75 -1.93 0.32 115.11 120.85 1h4b h GLN 64 Ca 0.41 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.94 1h4b h GLN 64 Cb 0.43 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1h4b h GLN 64 CO -0.27 0.10 0.16 0.93 -2.65 0.00 0.00 178.83 177.10 1h4b h GLU 65 N 0.02 0.33 -0.84 1.69 5.08 -1.57 0.19 114.58 119.48 1h4b h GLU 65 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1h4b h GLU 65 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1h4b h GLU 65 CO -0.00 0.22 0.42 0.35 -1.00 0.00 0.00 179.01 179.00 1h4b h PHE 66 N 0.34 1.18 -0.20 4.33 3.57 -0.26 -0.69 116.94 125.22 1h4b h PHE 66 Ca 0.15 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1h4b h PHE 66 Cb 0.07 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1h4b h PHE 66 CO -0.11 0.84 0.05 1.15 -2.23 0.00 0.00 178.31 178.02 1h4b h THR 67 N 1.18 1.20 -0.80 4.41 2.02 0.45 0.67 112.91 122.03 1h4b h THR 67 Ca 0.29 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1h4b h THR 67 Cb 0.08 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1h4b h THR 67 CO -0.04 0.20 0.53 0.44 0.37 0.00 0.00 175.52 177.01 1h4b h ASP 68 N 0.14 0.88 0.29 4.18 3.32 -0.30 -1.66 116.42 123.27 1h4b h ASP 68 Ca 0.06 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.85 1h4b h ASP 68 Cb 0.25 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.60 1h4b h ASP 68 CO -0.00 0.62 -1.02 0.15 -1.72 0.00 0.00 179.24 177.27 1h4b h PHE 69 N 1.03 0.71 -0.26 4.55 3.04 -0.76 -3.10 116.94 122.15 1h4b h PHE 69 Ca 0.31 -0.40 0.05 0.00 3.98 0.00 0.00 57.97 61.91 1h4b h PHE 69 Cb -0.03 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1h4b h PHE 69 CO -0.00 1.24 0.18 0.78 -2.02 0.00 0.00 178.31 178.49 1h4b h GLY 70 N 1.05 0.13 1.96 2.40 0.00 0.12 0.96 103.07 109.69 1h4b h GLY 70 Ca -0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1h4b h GLY 70 CO 0.18 0.03 -0.46 3.21 0.00 0.00 0.00 176.54 179.51 1h4b h ARG 71 N 0.10 0.04 0.00 4.80 3.08 -1.27 0.23 114.38 121.37 1h4b h ARG 71 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1h4b h ARG 71 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1h4b h ARG 71 CO -0.01 0.49 -0.07 0.00 -1.07 0.00 0.00 179.97 179.31 1h4b h ALA 72 N 1.51 1.05 -1.00 0.04 0.00 -0.85 -3.31 119.26 116.70 1h4b h ALA 72 Ca -0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 1h4b h ALA 72 Cb 0.82 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.33 1h4b h ALA 72 CO 0.06 0.09 -0.82 0.09 0.00 0.00 0.00 179.25 178.67 1h4b n ASN 73 N -3.25 -0.76 -0.33 0.00 3.02 -0.84 -4.96 115.26 108.14 1h4b n ASN 73 Ca -0.00 -3.35 0.16 0.00 -0.03 0.00 0.00 54.58 51.35 1h4b n ASN 73 Cb 0.29 0.66 0.39 0.00 -0.61 0.00 0.00 39.78 40.50 1h4b n ASN 73 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1h4b h ARG 74 N 3.01 0.61 -0.37 3.52 0.11 -0.67 0.85 114.38 121.45 1h4b h ARG 74 Ca -0.00 -0.04 0.05 0.00 0.10 0.00 0.00 59.98 60.09 1h4b h ARG 74 Cb 1.03 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.96 1h4b h ARG 74 CO 0.32 0.40 0.25 0.78 0.10 0.00 0.00 179.97 181.82 1h4b h GLY 75 N 0.63 0.34 0.96 0.08 0.00 -1.93 -1.32 103.07 101.83 1h4b h GLY 75 Ca 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 1h4b h GLY 75 CO -0.35 0.09 0.12 1.41 0.00 0.00 0.00 176.54 177.81 1h4b h LEU 76 N 0.29 0.68 -0.74 3.11 3.38 0.40 -2.06 115.31 120.37 1h4b h LEU 76 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1h4b h LEU 76 Cb 0.27 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1h4b h LEU 76 CO -0.03 0.73 0.42 -0.07 0.09 0.00 0.00 178.44 179.57 1h4b h LEU 77 N 0.60 0.92 -1.66 1.67 -0.00 -1.11 0.37 115.31 116.09 1h4b h LEU 77 Ca 0.14 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1h4b h LEU 77 Cb 0.31 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1h4b h LEU 77 CO 0.00 0.74 -0.20 0.11 -0.00 0.00 0.00 178.44 179.10 1h4b h LYS 78 N 1.03 0.00 0.00 1.13 1.57 -1.20 0.36 116.57 119.45 1h4b h LYS 78 Ca 0.26 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1h4b h LYS 78 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1h4b h LYS 78 CO -0.04 0.20 -0.59 -0.44 -0.57 0.00 0.00 179.45 178.01 1h4b h ASP 79 N 0.00 0.00 -0.40 0.86 3.32 -0.55 -3.28 116.42 116.36 1h4b h ASP 79 Ca -0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 57.03 56.27 1h4b h ASP 79 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1h4b h ASP 79 CO 0.03 1.22 0.11 1.62 -1.72 0.00 0.00 179.24 180.49 1h4b h VAL 80 N -1.00 1.22 -0.98 -1.35 3.04 -0.25 -2.58 116.25 114.35 1h4b h VAL 80 Ca -0.16 -0.75 0.23 0.00 -1.01 0.00 0.00 66.70 65.01 1h4b h VAL 80 Cb 1.12 0.95 -0.12 0.00 -2.01 0.00 0.00 31.29 31.22 1h4b h VAL 80 CO -0.10 0.26 0.56 0.00 -1.01 0.00 0.00 177.57 177.29 1h4b h ALA 81 N 0.96 1.71 0.00 3.17 0.00 -0.44 0.98 119.26 125.63 1h4b h ALA 81 Ca 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1h4b h ALA 81 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1h4b h ALA 81 CO -0.00 -0.25 -0.18 0.87 0.00 0.00 0.00 179.25 179.69 1h4b h LYS 82 N 0.58 0.00 -0.24 0.00 1.57 -1.52 -2.19 116.57 114.77 1h4b h LYS 82 Ca 0.62 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.38 1h4b h LYS 82 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1h4b h LYS 82 CO -0.47 0.18 0.04 0.82 -0.57 0.00 0.00 179.45 179.44 1h4b h ILE 83 N 0.00 1.13 -0.02 1.86 2.04 0.11 -3.52 117.51 119.10 1h4b h ILE 83 Ca -0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1h4b h ILE 83 Cb 0.41 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1h4b h ILE 83 CO 0.02 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.83