#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 -3.21 0.00 3.32 -2.10 -3.42 116.42 111.01 1h4b h ASP 2 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1h4b h ASP 2 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1h4b h ASP 2 CO 0.00 0.57 0.81 -0.62 -1.72 0.00 0.00 179.24 178.27 1h4b s ASP 3 N -6.54 7.00 0.43 6.45 -1.08 -1.26 -5.03 116.67 116.64 1h4b s ASP 3 Ca 0.01 1.19 0.07 0.00 -0.52 0.00 0.00 52.55 53.31 1h4b s ASP 3 Cb 0.10 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1h4b s ASP 3 CO 0.74 -0.77 0.33 -1.38 0.52 0.00 0.00 175.17 174.61 1h4b s HIS 4 N 3.41 2.59 0.29 -5.34 0.00 -1.26 -5.01 115.29 109.97 1h4b s HIS 4 Ca 0.44 -0.54 0.28 0.00 -3.00 0.00 0.00 55.06 52.24 1h4b s HIS 4 Cb -0.14 -2.10 1.30 0.00 -4.00 0.00 0.00 32.58 27.65 1h4b s HIS 4 CO 0.11 -0.08 1.99 -1.00 -1.00 0.00 0.00 174.74 174.75 1h4b h PRO 5 N 1.10 0.00 -0.71 -0.38 0.13 -1.99 -2.86 132.00 127.28 1h4b h PRO 5 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1h4b h PRO 5 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 5 CO 0.60 0.14 0.29 1.96 -0.23 0.00 0.00 178.00 180.76 1h4b h GLN 6 N 0.00 1.07 -0.74 0.86 1.08 -2.01 -2.51 115.11 112.86 1h4b h GLN 6 Ca -0.00 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1h4b h GLN 6 Cb 0.49 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 1h4b h GLN 6 CO 0.02 0.88 0.44 -0.44 -0.95 0.00 0.00 178.83 178.78 1h4b h ASP 7 N 1.02 0.69 -0.95 1.46 3.32 -1.91 -0.63 116.42 119.42 1h4b h ASP 7 Ca 0.24 0.02 0.21 0.00 0.02 0.00 0.00 57.03 57.51 1h4b h ASP 7 Cb 0.21 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.55 1h4b h ASP 7 CO -0.02 0.46 0.61 0.11 -1.72 0.00 0.00 179.24 178.68 1h4b h LYS 8 N 0.83 0.50 -0.42 3.56 1.57 -1.54 0.21 116.57 121.27 1h4b h LYS 8 Ca 0.32 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1h4b h LYS 8 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1h4b h LYS 8 CO -0.16 0.33 0.25 0.00 -0.57 0.00 0.00 179.45 179.30 1h4b h ALA 9 N 1.62 0.53 -0.36 3.86 0.00 -1.08 1.14 119.26 124.98 1h4b h ALA 9 Ca 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1h4b h ALA 9 Cb 1.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1h4b h ALA 9 CO -0.25 -0.08 -0.02 0.93 0.00 0.00 0.00 179.25 179.83 1h4b h GLU 10 N 0.50 0.65 -0.69 0.00 4.39 -0.66 -1.33 114.58 117.44 1h4b h GLU 10 Ca 0.17 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1h4b h GLU 10 Cb 0.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1h4b h GLU 10 CO -0.08 0.77 0.16 0.00 -1.16 0.00 0.00 179.01 178.71 1h4b h ARG 11 N 0.46 1.10 -0.75 2.33 3.08 -0.39 -0.32 114.38 119.88 1h4b h ARG 11 Ca 0.10 -0.26 -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 0.97 0.23 0.93 -1.07 0.00 0.00 179.97 181.05 1h4b h GLU 12 N 1.04 1.17 -0.30 0.04 5.08 0.15 0.61 114.58 122.37 1h4b h GLU 12 Ca 0.22 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1h4b h GLU 12 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1h4b h GLU 12 CO 0.00 1.00 -0.43 0.00 -1.00 0.00 0.00 179.01 178.58 1h4b h ARG 13 N 1.12 0.77 -0.14 2.33 3.08 -0.88 0.47 114.38 121.14 1h4b h ARG 13 Ca 0.24 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 1h4b h ARG 13 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1h4b h ARG 13 CO -0.01 1.05 -0.29 0.82 -1.07 0.00 0.00 179.97 180.47 1h4b h ILE 14 N 0.62 1.36 -0.26 2.04 2.04 -0.68 -1.91 117.51 120.72 1h4b h ILE 14 Ca 0.04 -1.56 -0.13 0.00 1.00 0.00 0.00 64.86 64.21 1h4b h ILE 14 Cb 0.99 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1h4b h ILE 14 CO 0.09 0.46 -0.38 0.15 0.00 0.00 0.00 178.15 178.48 1h4b h PHE 15 N 0.06 0.71 -0.04 1.37 3.57 0.27 -2.49 116.94 120.38 1h4b h PHE 15 Ca 0.00 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 1h4b h PHE 15 Cb 0.89 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1h4b h PHE 15 CO 0.10 0.89 -0.23 0.87 -2.23 0.00 0.00 178.31 177.71 1h4b h LYS 16 N 0.50 0.06 -0.30 1.11 1.57 -0.01 -1.65 116.57 117.85 1h4b h LYS 16 Ca 0.05 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1h4b h LYS 16 Cb 0.88 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1h4b h LYS 16 CO 0.08 0.29 -0.49 0.00 -0.57 0.00 0.00 179.45 178.76 1h4b h ARG 17 N 0.06 0.84 -0.14 3.15 2.47 -0.92 -3.19 114.38 116.65 1h4b h ARG 17 Ca 0.01 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.21 1h4b h ARG 17 Cb 0.44 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1h4b h ARG 17 CO 0.03 1.13 -0.00 0.74 0.56 0.00 0.00 179.97 182.43 1h4b h PHE 18 N 0.66 0.27 -1.73 3.04 0.04 -1.06 -3.39 116.94 114.76 1h4b h PHE 18 Ca 0.03 -0.05 -0.50 0.00 2.80 0.00 0.00 57.97 60.25 1h4b h PHE 18 Cb 1.07 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.16 1h4b h PHE 18 CO 0.06 0.48 1.59 0.34 -0.60 0.00 0.00 178.31 180.18 1h4b s ASP 19 N -5.75 4.74 -0.02 2.17 -1.08 -0.67 -4.49 116.67 111.56 1h4b s ASP 19 Ca -0.14 1.34 -0.26 0.00 -0.52 0.00 0.00 52.55 52.97 1h4b s ASP 19 Cb 0.06 -2.50 -0.20 0.00 -1.46 0.00 0.00 42.92 38.81 1h4b s ASP 19 CO 0.71 -2.61 1.23 0.00 0.52 0.00 0.00 175.17 175.03 1h4b h ALA 20 N 18.24 -0.04 0.01 3.66 0.00 -1.83 -3.32 119.26 135.98 1h4b h ALA 20 Ca -0.29 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 1h4b h ALA 20 Cb 1.26 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1h4b h ALA 20 CO 1.10 -0.27 -1.53 -2.95 0.00 0.00 0.00 179.25 175.60 1h4b h ASN 21 N -0.54 0.03 -0.11 0.00 -1.07 -1.92 -3.48 115.58 108.49 1h4b h ASN 21 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1h4b h ASN 21 Cb 0.50 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1h4b h ASN 21 CO 0.01 1.04 0.00 0.61 0.07 0.00 0.00 177.43 179.16 1h4b n GLY 22 N 1.52 1.29 0.40 9.14 0.00 -1.25 -4.96 105.19 111.33 1h4b n GLY 22 Ca -0.13 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.62 1.20 0.00 1.61 5.75 -1.26 -4.86 116.55 119.60 1h4b n ASP 23 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1h4b n ASP 23 Cb 0.17 -0.09 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 1.00 0.90 3.05 6.12 0.00 -1.26 -5.04 105.19 109.96 1h4b n GLY 24 Ca 0.14 0.00 -0.17 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 -0.60 0.66 -0.13 1.61 -2.85 -1.26 -3.98 119.74 113.20 1h4b s LYS 25 Ca 0.00 -0.51 -0.02 0.00 -1.00 0.00 0.00 55.97 54.44 1h4b s LYS 25 Cb 0.00 -0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 35.15 1h4b s LYS 25 CO 0.00 0.15 -0.06 0.42 0.10 0.00 0.00 175.35 175.96 1h4b s ILE 26 N -0.65 3.67 0.36 3.79 1.01 -0.42 -4.80 121.20 124.17 1h4b s ILE 26 Ca -0.01 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1h4b s ILE 26 Cb -0.06 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1h4b s ILE 26 CO 0.00 0.53 0.31 -0.94 0.00 0.00 0.00 174.94 174.84 1h4b s SER 27 N 0.04 5.20 0.25 3.58 1.04 -1.26 -1.77 113.70 120.77 1h4b s SER 27 Ca -0.01 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1h4b s SER 27 Cb -0.14 -0.85 0.48 0.00 0.10 0.00 0.00 66.02 65.61 1h4b s SER 27 CO 0.03 -0.44 1.70 0.00 0.98 0.00 0.00 173.24 175.52 1h4b h ALA 28 N 1.19 1.03 -1.00 5.32 0.00 -1.91 0.58 119.26 124.47 1h4b h ALA 28 Ca -0.44 0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 28 Cb 1.26 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1h4b h ALA 28 CO 0.58 -0.29 0.65 0.00 0.00 0.00 0.00 179.25 180.19 1h4b h ALA 29 N 1.59 1.41 0.09 0.00 0.00 -1.96 2.07 119.26 122.47 1h4b h ALA 29 Ca 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1h4b h ALA 29 Cb 0.70 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h4b h ALA 29 CO -0.47 0.43 -0.05 0.93 0.00 0.00 0.00 179.25 180.10 1h4b h GLU 30 N 1.17 -0.12 -0.57 0.00 5.08 -0.71 0.54 114.58 119.97 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 0.18 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1h4b h GLU 30 CO -0.18 0.37 0.30 1.25 -1.00 0.00 0.00 179.01 179.76 1h4b h LEU 31 N -0.91 0.72 -0.40 1.33 6.46 0.14 -0.55 115.31 122.10 1h4b h LEU 31 Ca -0.01 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1h4b h LEU 31 Cb 0.55 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1h4b h LEU 31 CO 0.02 0.62 0.14 1.23 -0.62 0.00 0.00 178.44 179.82 1h4b h GLY 32 N 0.77 0.66 0.85 3.75 0.00 0.33 0.39 103.07 109.82 1h4b h GLY 32 Ca 0.20 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1h4b h GLY 32 CO -0.03 0.36 0.51 0.83 0.00 0.00 0.00 176.54 178.21 1h4b h GLU 33 N 0.50 0.95 -0.21 4.80 5.08 -0.44 0.22 114.58 125.48 1h4b h GLU 33 Ca 0.13 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 1h4b h GLU 33 Cb 0.24 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h4b h GLU 33 CO -0.01 0.63 -0.68 0.00 -1.00 0.00 0.00 179.01 177.95 1h4b h ALA 34 N 1.34 0.39 -0.33 3.43 0.00 -0.79 -2.94 119.26 120.37 1h4b h ALA 34 Ca 0.32 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1h4b h ALA 34 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1h4b h ALA 34 CO -0.12 0.69 0.22 -0.07 0.00 0.00 0.00 179.25 179.97 1h4b h LEU 35 N 0.59 0.20 -1.49 0.00 3.38 0.60 -1.28 115.31 117.31 1h4b h LEU 35 Ca -0.02 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.19 1h4b h LEU 35 Cb 1.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1h4b h LEU 35 CO 0.14 0.13 0.93 0.11 0.09 0.00 0.00 178.44 179.85 1h4b h LYS 36 N 0.23 0.00 -0.44 1.13 1.57 -0.79 0.73 116.57 119.00 1h4b h LYS 36 Ca 0.14 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1h4b h LYS 36 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1h4b h LYS 36 CO -0.03 0.00 0.45 0.00 -0.57 0.00 0.00 179.45 179.30 1h4b h THR 37 N 0.00 0.41 0.00 -0.16 1.03 -1.42 0.53 112.91 113.30 1h4b h THR 37 Ca 0.41 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.75 1h4b h THR 37 Cb 2.27 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.99 1h4b h THR 37 CO -0.00 0.00 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.17 1h4b h LEU 38 N 0.00 0.00 0.00 0.00 3.38 0.26 -3.45 115.31 115.50 1h4b h LEU 38 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1h4b h LEU 38 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1h4b h LEU 38 CO -0.00 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1h4b n GLY 39 N -0.77 0.16 2.69 0.83 0.00 0.18 -4.75 105.19 103.54 1h4b n GLY 39 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.65 -1.14 -4.28 1.61 7.64 -1.26 -5.13 113.62 110.41 1h4b n SER 40 Ca 0.00 -2.50 -0.15 0.00 1.01 0.00 0.00 58.87 57.23 1h4b n SER 40 Cb 0.32 0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 64.08 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 -0.56 0.81 0.34 0.44 1.10 -1.26 -5.17 121.20 116.91 1h4b s ILE 41 Ca 0.23 -2.00 0.09 0.00 -0.51 0.00 0.00 60.65 58.45 1h4b s ILE 41 Cb 0.41 -2.26 -0.05 0.00 0.15 0.00 0.00 42.46 40.71 1h4b s ILE 41 CO -0.06 -0.37 0.01 0.42 -2.11 0.00 0.00 174.94 172.83 1h4b s THR 42 N -3.57 2.66 0.28 4.00 -4.23 -1.26 -5.02 115.64 108.49 1h4b s THR 42 Ca 0.27 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1h4b s THR 42 Cb 0.06 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1h4b s THR 42 CO 0.07 -0.21 1.68 1.55 -0.54 0.00 0.00 174.62 177.17 1h4b h PRO 43 N 1.81 0.37 0.00 3.99 0.13 -1.99 -2.64 132.00 133.66 1h4b h PRO 43 Ca -0.43 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.51 1h4b h PRO 43 Cb 1.25 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 43 CO 0.66 0.69 -0.12 0.22 -0.23 0.00 0.00 178.00 179.22 1h4b h ASP 44 N 0.31 0.00 0.34 1.44 1.82 -1.99 -0.95 116.42 117.39 1h4b h ASP 44 Ca 0.03 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.35 1h4b h ASP 44 Cb 0.80 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.83 1h4b h ASP 44 CO 0.06 0.12 -1.50 -0.33 -1.61 0.00 0.00 179.24 175.99 1h4b h GLU 45 N 0.00 0.44 -0.50 0.28 4.39 -1.89 -1.96 114.58 115.35 1h4b h GLU 45 Ca -0.00 -0.75 -0.05 0.00 0.34 0.00 0.00 59.36 58.89 1h4b h GLU 45 Cb 0.30 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1h4b h GLU 45 CO 0.02 1.35 0.09 0.28 -1.16 0.00 0.00 179.01 179.59 1h4b h VAL 46 N 0.12 1.22 -0.14 3.13 2.07 -1.22 0.36 116.25 121.79 1h4b h VAL 46 Ca -0.25 -0.83 -0.20 0.00 0.82 0.00 0.00 66.70 66.25 1h4b h VAL 46 Cb 2.11 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1h4b h VAL 46 CO 0.24 0.30 -0.72 0.11 0.02 0.00 0.00 177.57 177.52 1h4b h LYS 47 N 0.74 0.62 -0.43 1.57 1.57 -1.23 -2.46 116.57 116.94 1h4b h LYS 47 Ca 0.16 -0.48 -0.12 0.00 -1.87 0.00 0.00 60.65 58.33 1h4b h LYS 47 Cb 0.32 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1h4b h LYS 47 CO 0.00 1.10 -0.22 1.25 -0.57 0.00 0.00 179.45 181.01 1h4b h HIS 48 N 0.43 1.00 -0.24 -1.35 2.76 -0.70 -1.04 115.15 116.01 1h4b h HIS 48 Ca -0.03 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1h4b h HIS 48 Cb 1.31 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1h4b h HIS 48 CO 0.06 1.01 0.15 0.52 -1.30 0.00 0.00 177.93 178.37 1h4b h MET 49 N 0.76 0.33 -0.37 5.26 2.86 -0.21 -1.32 114.93 122.24 1h4b h MET 49 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h4b h MET 49 Cb 0.77 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1h4b h MET 49 CO 0.06 0.26 0.22 0.52 1.06 0.00 0.00 176.91 179.04 1h4b h MET 50 N 0.30 0.50 -0.01 1.72 2.07 -1.27 0.70 114.93 118.94 1h4b h MET 50 Ca 0.09 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1h4b h MET 50 Cb 0.02 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.64 1h4b h MET 50 CO -0.02 0.38 0.07 0.00 1.07 0.00 0.00 176.91 178.41 1h4b h ALA 51 N 1.09 1.17 0.03 6.32 0.00 -0.78 1.71 119.26 128.81 1h4b h ALA 51 Ca 0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1h4b h ALA 51 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1h4b h ALA 51 CO -0.02 -0.07 -2.22 0.39 0.00 0.00 0.00 179.25 177.33 1h4b n GLU 52 N -3.19 0.69 0.07 0.00 1.02 -0.12 -4.32 120.64 114.78 1h4b n GLU 52 Ca -0.03 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 1h4b n GLU 52 Cb 0.14 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.54 -1.65 -3.67 2.04 0.13 -3.43 117.51 112.51 1h4b h ILE 53 Ca -0.49 -3.20 -0.47 0.00 1.00 0.00 0.00 64.86 61.70 1h4b h ILE 53 Cb 2.03 2.86 0.01 0.00 -0.74 0.00 0.00 36.82 40.97 1h4b h ILE 53 CO 0.01 0.91 1.62 -0.62 0.00 0.00 0.00 178.15 180.07 1h4b s ASP 54 N -6.87 4.50 0.06 1.72 -1.08 0.58 -4.81 116.67 110.76 1h4b s ASP 54 Ca -0.02 1.10 -0.20 0.00 -0.52 0.00 0.00 52.55 52.91 1h4b s ASP 54 Cb 0.08 -2.50 -0.12 0.00 -1.46 0.00 0.00 42.92 38.92 1h4b s ASP 54 CO 0.85 -2.83 1.42 0.71 0.52 0.00 0.00 175.17 175.84 1h4b h THR 55 N 7.65 1.30 0.14 1.71 1.35 -1.86 -3.30 112.91 119.90 1h4b h THR 55 Ca -0.25 -1.09 -0.34 0.00 -0.55 0.00 0.00 66.41 64.18 1h4b h THR 55 Cb 1.26 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1h4b h THR 55 CO 1.15 0.33 -1.73 -2.24 -0.25 0.00 0.00 175.52 172.78 1h4b h ASP 56 N 0.06 0.47 0.00 5.36 2.03 -1.92 -3.48 116.42 118.93 1h4b h ASP 56 Ca 0.04 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.59 1h4b h ASP 56 Cb 0.54 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1h4b h ASP 56 CO 0.02 1.65 0.00 0.61 -1.03 0.00 0.00 179.24 180.49 1h4b n GLY 57 N 1.81 1.71 0.00 7.15 0.00 -1.24 -4.97 105.19 109.65 1h4b n GLY 57 Ca -0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.83 116.55 117.82 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 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.91 0.38 3.15 6.12 0.00 -1.26 -5.06 105.19 109.43 1h4b n GLY 59 Ca 0.20 0.00 -0.11 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 -2.11 0.85 -0.16 1.61 0.40 -1.26 -4.45 117.98 112.87 1h4b s PHE 60 Ca 0.00 -0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 55.48 1h4b s PHE 60 Cb 0.00 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 1h4b s PHE 60 CO 0.00 -0.13 -0.04 0.42 0.70 0.00 0.00 175.22 176.18 1h4b s ILE 61 N -3.07 3.89 0.49 0.64 -1.09 -0.73 -4.76 121.20 116.59 1h4b s ILE 61 Ca 0.07 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1h4b s ILE 61 Cb 0.01 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1h4b s ILE 61 CO -0.03 0.49 0.69 -0.44 -1.23 0.00 0.00 174.94 174.41 1h4b s SER 62 N 0.39 5.43 0.21 3.58 0.01 -1.26 -1.30 113.70 120.76 1h4b s SER 62 Ca -0.04 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 1h4b s SER 62 Cb -0.14 -0.74 0.26 0.00 0.21 0.00 0.00 66.02 65.61 1h4b s SER 62 CO 0.03 -0.98 1.80 0.15 0.41 0.00 0.00 173.24 174.65 1h4b h PHE 63 N 0.32 0.68 -0.06 2.43 3.57 -1.97 0.22 116.94 122.13 1h4b h PHE 63 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1h4b h PHE 63 Cb 1.29 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1h4b h PHE 63 CO 0.38 0.31 0.04 0.37 -2.23 0.00 0.00 178.31 177.18 1h4b h GLN 64 N 0.68 0.08 -0.44 1.11 5.75 -1.93 0.29 115.11 120.64 1h4b h GLN 64 Ca 0.31 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.83 1h4b h GLN 64 Cb 0.22 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1h4b h GLN 64 CO -0.20 0.07 0.25 0.93 -2.65 0.00 0.00 178.83 177.24 1h4b h GLU 65 N 0.06 0.48 -0.42 1.69 5.08 -1.70 0.28 114.58 120.05 1h4b h GLU 65 Ca 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1h4b h GLU 65 Cb 0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1h4b h GLU 65 CO -0.00 0.32 0.07 0.35 -1.00 0.00 0.00 179.01 178.75 1h4b h PHE 66 N 0.50 0.66 -0.10 4.33 3.04 -0.22 -1.53 116.94 123.62 1h4b h PHE 66 Ca 0.18 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1h4b h PHE 66 Cb 0.04 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1h4b h PHE 66 CO -0.08 0.58 -0.00 1.15 -2.02 0.00 0.00 178.31 177.94 1h4b h THR 67 N 0.62 1.25 -0.65 4.41 2.02 0.66 0.73 112.91 121.96 1h4b h THR 67 Ca 0.14 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1h4b h THR 67 Cb 0.28 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1h4b h THR 67 CO 0.00 0.23 0.43 0.44 0.37 0.00 0.00 175.52 176.99 1h4b h ASP 68 N -0.10 0.72 0.35 4.18 3.32 -0.69 -1.69 116.42 122.51 1h4b h ASP 68 Ca 0.03 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.79 1h4b h ASP 68 Cb 0.35 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1h4b h ASP 68 CO 0.01 0.51 -1.16 0.15 -1.72 0.00 0.00 179.24 177.02 1h4b h PHE 69 N 0.84 0.73 -0.28 4.55 3.04 -1.03 -3.10 116.94 121.69 1h4b h PHE 69 Ca 0.25 -0.47 0.08 0.00 3.98 0.00 0.00 57.97 61.81 1h4b h PHE 69 Cb -0.04 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1h4b h PHE 69 CO -0.00 1.32 0.24 0.78 -2.02 0.00 0.00 178.31 178.63 1h4b h GLY 70 N 0.97 0.00 2.00 2.40 0.00 0.14 0.43 103.07 109.01 1h4b h GLY 70 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1h4b h GLY 70 CO 0.21 0.00 -0.42 3.21 0.00 0.00 0.00 176.54 179.54 1h4b h ARG 71 N 0.00 0.00 0.00 4.80 3.08 -1.31 0.68 114.38 121.63 1h4b h ARG 71 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1h4b h ARG 71 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1h4b h ARG 71 CO -0.00 0.42 -0.28 0.00 -1.07 0.00 0.00 179.97 179.04 1h4b h ALA 72 N 1.58 0.96 -1.54 0.04 0.00 -0.21 -3.34 119.26 116.75 1h4b h ALA 72 Ca -0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 54.91 54.23 1h4b h ALA 72 Cb 0.90 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.30 1h4b h ALA 72 CO 0.05 0.35 -1.03 0.09 0.00 0.00 0.00 179.25 178.71 1h4b n ASN 73 N -3.37 0.13 0.26 0.00 3.02 -0.97 -4.92 115.26 109.41 1h4b n ASN 73 Ca 0.01 -3.16 0.16 0.00 -0.03 0.00 0.00 54.58 51.56 1h4b n ASN 73 Cb 0.49 -0.05 0.76 0.00 -0.61 0.00 0.00 39.78 40.38 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 3.00 0.00 0.00 3.52 3.08 -1.01 0.85 114.38 123.82 1h4b h ARG 74 Ca 0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1h4b h ARG 74 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1h4b h ARG 74 CO 0.42 0.00 -0.60 0.78 -1.07 0.00 0.00 179.97 179.50 1h4b h GLY 75 N 0.00 0.00 0.76 0.04 0.00 -1.91 -2.87 103.07 99.08 1h4b h GLY 75 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1h4b h GLY 75 CO -0.00 0.00 -0.37 1.41 0.00 0.00 0.00 176.54 177.58 1h4b h LEU 76 N 0.00 0.48 -0.52 3.11 3.38 0.38 -1.96 115.31 120.18 1h4b h LEU 76 Ca -0.01 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1h4b h LEU 76 Cb 1.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1h4b h LEU 76 CO 0.08 1.03 0.14 -0.07 0.09 0.00 0.00 178.44 179.71 1h4b h LEU 77 N -0.04 0.77 -1.14 1.67 -0.00 -1.57 0.58 115.31 115.59 1h4b h LEU 77 Ca -0.02 -0.22 -0.07 0.00 -0.00 0.00 0.00 57.88 57.57 1h4b h LEU 77 Cb 1.01 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1h4b h LEU 77 CO 0.08 0.79 -0.12 0.11 -0.00 0.00 0.00 178.44 179.30 1h4b h LYS 78 N 0.71 0.46 0.08 1.13 1.57 -1.54 0.33 116.57 119.31 1h4b h LYS 78 Ca 0.16 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1h4b h LYS 78 Cb 0.32 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1h4b h LYS 78 CO -0.00 0.58 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.52 1h4b h ASP 79 N 0.43 0.31 -0.46 0.86 3.32 -0.94 -3.22 116.42 116.73 1h4b h ASP 79 Ca 0.08 -0.94 -0.04 0.00 0.02 0.00 0.00 57.03 56.15 1h4b h ASP 79 Cb 0.47 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1h4b h ASP 79 CO 0.03 1.22 0.13 1.62 -1.72 0.00 0.00 179.24 180.52 1h4b h VAL 80 N -0.56 1.23 -1.00 -1.35 3.04 0.26 -2.42 116.25 115.45 1h4b h VAL 80 Ca -0.08 -0.76 0.23 0.00 -1.01 0.00 0.00 66.70 65.07 1h4b h VAL 80 Cb 1.37 0.86 -0.10 0.00 -2.01 0.00 0.00 31.29 31.41 1h4b h VAL 80 CO 0.09 0.27 0.63 0.00 -1.01 0.00 0.00 177.57 177.56 1h4b h ALA 81 N 0.99 1.98 0.00 3.17 0.00 -0.45 0.80 119.26 125.75 1h4b h ALA 81 Ca 0.15 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1h4b h ALA 81 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1h4b h ALA 81 CO -0.00 -0.36 -0.34 0.87 0.00 0.00 0.00 179.25 179.41 1h4b h LYS 82 N 0.55 0.00 -0.10 0.00 1.57 -1.44 -2.68 116.57 114.46 1h4b h LYS 82 Ca 0.58 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.33 1h4b h LYS 82 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1h4b h LYS 82 CO -0.34 0.34 -0.08 0.82 -0.57 0.00 0.00 179.45 179.63 1h4b h ILE 83 N 0.00 1.12 -0.02 1.86 2.04 0.79 -3.52 117.51 119.78 1h4b h ILE 83 Ca -0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1h4b h ILE 83 Cb 0.80 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1h4b h ILE 83 CO 0.04 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.84