#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 -5.18 -4.62 0.00 8.00 -1.26 -4.91 116.55 108.58 1h4b n ASP 2 Ca 0.00 -0.64 -0.43 0.00 0.71 0.00 0.00 54.79 54.44 1h4b n ASP 2 Cb 0.00 -4.63 -0.03 0.00 -0.02 0.00 0.00 41.12 36.44 1h4b n ASP 2 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h4b s ASP 3 N -3.48 6.76 0.47 -2.24 2.15 -1.26 -5.03 116.67 114.05 1h4b s ASP 3 Ca 0.52 0.77 0.05 0.00 0.43 0.00 0.00 52.55 54.32 1h4b s ASP 3 Cb -0.24 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 1h4b s ASP 3 CO 0.77 -0.79 0.14 -1.00 -0.17 0.00 0.00 175.17 174.11 1h4b s HIS 4 N 3.39 2.15 0.19 -5.34 3.76 -1.26 -5.02 115.29 113.16 1h4b s HIS 4 Ca 0.39 -0.77 0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1h4b s HIS 4 Cb -0.13 -1.81 1.19 0.00 1.11 0.00 0.00 32.58 32.94 1h4b s HIS 4 CO 0.16 0.10 1.93 -1.00 -0.85 0.00 0.00 174.74 175.08 1h4b h PRO 5 N 1.31 0.00 -0.51 8.40 0.13 -2.02 -2.90 132.00 136.42 1h4b h PRO 5 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.70 0.14 0.14 1.96 -0.23 0.00 0.00 178.00 180.71 1h4b h GLN 6 N 0.00 0.76 -0.01 0.86 4.20 -2.00 -2.77 115.11 116.15 1h4b h GLN 6 Ca -0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1h4b h GLN 6 Cb 0.58 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1h4b h GLN 6 CO 0.02 0.67 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.41 1h4b h ASP 7 N 0.74 -0.02 -1.06 1.46 3.32 -1.92 -1.67 116.42 117.27 1h4b h ASP 7 Ca 0.17 0.01 0.28 0.00 0.02 0.00 0.00 57.03 57.50 1h4b h ASP 7 Cb 0.24 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 1h4b h ASP 7 CO -0.01 -0.01 0.68 0.11 -1.72 0.00 0.00 179.24 178.30 1h4b h LYS 8 N -0.01 0.36 -0.58 3.56 1.57 -1.62 0.50 116.57 120.36 1h4b h LYS 8 Ca 0.01 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1h4b h LYS 8 Cb 0.02 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1h4b h LYS 8 CO -0.02 0.24 0.29 0.00 -0.57 0.00 0.00 179.45 179.39 1h4b h ALA 9 N 1.62 0.76 -0.43 3.86 0.00 -1.25 1.01 119.26 124.82 1h4b h ALA 9 Ca 0.61 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.43 1h4b h ALA 9 Cb 1.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1h4b h ALA 9 CO -0.30 -0.07 -0.23 0.93 0.00 0.00 0.00 179.25 179.58 1h4b h GLU 10 N 0.54 0.87 -0.50 0.00 5.08 -0.01 -1.38 114.58 119.18 1h4b h GLU 10 Ca 0.26 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1h4b h GLU 10 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1h4b h GLU 10 CO -0.20 1.01 -0.13 0.00 -1.00 0.00 0.00 179.01 178.70 1h4b h ARG 11 N 0.75 0.98 -0.63 2.33 3.08 0.11 -0.52 114.38 120.49 1h4b h ARG 11 Ca 0.10 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1h4b h ARG 11 Cb 0.78 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1h4b h ARG 11 CO 0.06 1.05 0.13 0.93 -1.07 0.00 0.00 179.97 181.07 1h4b h GLU 12 N 0.84 1.03 -0.46 0.04 5.08 0.12 0.50 114.58 121.72 1h4b h GLU 12 Ca 0.13 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1h4b h GLU 12 Cb 0.70 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1h4b h GLU 12 CO 0.05 0.94 -0.23 0.00 -1.00 0.00 0.00 179.01 178.77 1h4b h ARG 13 N 0.94 0.96 -0.16 2.33 3.08 -1.07 0.21 114.38 120.67 1h4b h ARG 13 Ca 0.19 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 1h4b h ARG 13 Cb 0.40 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1h4b h ARG 13 CO 0.01 1.08 -0.25 0.82 -1.07 0.00 0.00 179.97 180.56 1h4b h ILE 14 N 0.83 1.36 -0.41 2.04 2.04 -0.80 -1.94 117.51 120.62 1h4b h ILE 14 Ca 0.10 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1h4b h ILE 14 Cb 0.80 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1h4b h ILE 14 CO 0.07 0.44 -0.02 0.15 0.00 0.00 0.00 178.15 178.80 1h4b h PHE 15 N 0.07 0.71 0.00 1.37 3.57 0.08 -1.58 116.94 121.16 1h4b h PHE 15 Ca 0.01 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1h4b h PHE 15 Cb 0.83 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1h4b h PHE 15 CO 0.09 0.68 -0.31 0.87 -2.23 0.00 0.00 178.31 177.41 1h4b h LYS 16 N 0.63 0.00 -0.25 1.11 1.57 -0.47 -1.72 116.57 117.44 1h4b h LYS 16 Ca 0.13 0.00 -0.15 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 -0.44 0.00 -0.57 0.00 0.00 179.45 178.76 1h4b h ARG 17 N 0.00 0.62 0.06 3.15 3.08 -0.48 -3.22 114.38 117.59 1h4b h ARG 17 Ca -0.00 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 1h4b h ARG 17 Cb 0.57 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1h4b h ARG 17 CO 0.04 0.94 -0.03 0.74 -1.07 0.00 0.00 179.97 180.59 1h4b h PHE 18 N 0.50 -0.07 -1.33 3.04 0.04 -0.99 -3.41 116.94 114.72 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 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1h4b h PHE 18 CO 0.04 0.41 1.60 -3.47 -0.60 0.00 0.00 178.31 176.29 1h4b n ASP 19 N -4.89 2.11 0.03 2.17 2.03 -0.70 -4.53 116.55 112.78 1h4b n ASP 19 Ca -0.09 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.94 1h4b n ASP 19 Cb 0.26 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 39.14 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 16.68 -0.10 0.00 -1.67 0.00 -1.83 -3.30 119.26 129.04 1h4b h ALA 20 Ca -0.24 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 1h4b h ALA 20 Cb 1.28 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1h4b h ALA 20 CO 1.14 -0.36 -1.36 -2.95 0.00 0.00 0.00 179.25 175.72 1h4b h ASN 21 N -0.51 0.00 -0.37 0.00 -1.07 -1.92 -3.48 115.58 108.24 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 0.84 0.00 0.61 0.07 0.00 0.00 177.43 178.97 1h4b n GLY 22 N 1.44 1.04 0.68 9.14 0.00 -1.24 -4.96 105.19 111.27 1h4b n GLY 22 Ca -0.10 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 0.80 2.03 0.00 1.61 5.75 -1.26 -4.88 116.55 120.60 1h4b n ASP 23 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1h4b n ASP 23 Cb 0.25 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.19 0.90 3.09 6.12 0.00 -1.26 -5.04 105.19 110.19 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 -0.65 0.89 -0.11 1.61 -2.85 -1.26 -3.93 119.74 113.43 1h4b s LYS 25 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1h4b s LYS 25 Cb 0.00 -0.86 -0.02 0.00 -2.06 0.00 0.00 37.83 34.89 1h4b s LYS 25 CO 0.00 0.23 -0.10 0.42 0.10 0.00 0.00 175.35 175.99 1h4b s ILE 26 N -0.52 3.32 0.38 3.79 1.01 -0.51 -4.80 121.20 123.87 1h4b s ILE 26 Ca 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1h4b s ILE 26 Cb -0.06 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1h4b s ILE 26 CO 0.00 0.54 0.34 -0.94 0.00 0.00 0.00 174.94 174.89 1h4b s SER 27 N -0.05 5.16 0.24 3.58 1.04 -1.26 -1.41 113.70 121.00 1h4b s SER 27 Ca -0.02 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 1h4b s SER 27 Cb -0.14 -0.75 0.44 0.00 0.10 0.00 0.00 66.02 65.67 1h4b s SER 27 CO 0.03 -0.52 1.70 0.00 0.98 0.00 0.00 173.24 175.43 1h4b h ALA 28 N 1.12 0.95 -0.89 5.32 0.00 -1.93 0.93 119.26 124.77 1h4b h ALA 28 Ca -0.43 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 28 Cb 1.26 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1h4b h ALA 28 CO 0.58 -0.30 0.56 0.00 0.00 0.00 0.00 179.25 180.08 1h4b h ALA 29 N 1.58 1.22 0.14 0.00 0.00 -1.96 2.04 119.26 122.28 1h4b h ALA 29 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 29 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h4b h ALA 29 CO -0.47 0.31 -0.07 0.93 0.00 0.00 0.00 179.25 179.96 1h4b h GLU 30 N 1.01 -0.18 -0.20 0.00 5.08 -0.76 0.38 114.58 119.91 1h4b h GLU 30 Ca 0.38 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1h4b h GLU 30 Cb 0.16 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1h4b h GLU 30 CO -0.17 0.25 0.08 1.25 -1.00 0.00 0.00 179.01 179.42 1h4b h LEU 31 N -0.91 0.10 -0.66 1.33 6.46 0.90 -1.10 115.31 121.43 1h4b h LEU 31 Ca -0.02 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1h4b h LEU 31 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1h4b h LEU 31 CO 0.03 0.09 0.44 1.23 -0.62 0.00 0.00 178.44 179.61 1h4b h GLY 32 N 0.18 0.93 0.69 3.75 0.00 0.32 0.19 103.07 109.13 1h4b h GLY 32 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.13 1h4b h GLY 32 CO -0.08 0.34 0.45 0.83 0.00 0.00 0.00 176.54 178.08 1h4b h GLU 33 N 0.90 0.79 -0.23 4.80 5.08 -0.22 0.95 114.58 126.65 1h4b h GLU 33 Ca 0.24 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1h4b h GLU 33 Cb -0.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1h4b h GLU 33 CO -0.05 0.52 -0.64 0.00 -1.00 0.00 0.00 179.01 177.85 1h4b h ALA 34 N 1.38 0.44 -0.34 3.43 0.00 -0.59 -2.99 119.26 120.58 1h4b h ALA 34 Ca 0.34 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1h4b h ALA 34 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h4b h ALA 34 CO -0.18 0.69 0.23 -0.07 0.00 0.00 0.00 179.25 179.91 1h4b h LEU 35 N 0.59 0.38 -1.50 0.00 3.38 0.38 -1.84 115.31 116.70 1h4b h LEU 35 Ca -0.01 -0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.25 1h4b h LEU 35 Cb 1.25 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1h4b h LEU 35 CO 0.13 0.27 1.03 0.11 0.09 0.00 0.00 178.44 180.08 1h4b h LYS 36 N 0.45 0.00 -0.37 1.13 1.57 -0.69 0.81 116.57 119.46 1h4b h LYS 36 Ca 0.13 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1h4b h LYS 36 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1h4b h LYS 36 CO -0.03 0.00 0.49 0.00 -0.57 0.00 0.00 179.45 179.34 1h4b h THR 37 N 0.00 0.27 -0.28 -0.16 1.03 -1.52 0.49 112.91 112.74 1h4b h THR 37 Ca 0.49 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.87 1h4b h THR 37 Cb 2.54 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 70.20 1h4b h THR 37 CO -0.01 0.00 0.09 -0.07 -0.01 0.00 0.00 175.52 175.52 1h4b h LEU 38 N 0.00 0.36 0.00 0.00 3.38 0.41 -3.45 115.31 116.00 1h4b h LEU 38 Ca 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h4b h LEU 38 Cb 1.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1h4b h LEU 38 CO -0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1h4b n GLY 39 N -1.22 0.54 2.63 0.83 0.00 0.17 -4.79 105.19 103.36 1h4b n GLY 39 Ca 0.01 0.00 -0.10 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 -0.09 -1.39 -4.21 1.61 7.64 -1.26 -5.13 113.62 110.79 1h4b n SER 40 Ca 0.00 -3.15 -0.12 0.00 1.01 0.00 0.00 58.87 56.61 1h4b n SER 40 Cb 0.05 1.06 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 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 -0.48 0.22 0.35 0.44 2.07 -1.26 -5.17 121.20 117.37 1h4b s ILE 41 Ca 0.25 -1.97 0.09 0.00 -1.41 0.00 0.00 60.65 57.62 1h4b s ILE 41 Cb 0.35 -2.31 -0.06 0.00 0.13 0.00 0.00 42.46 40.57 1h4b s ILE 41 CO -0.06 -0.23 -0.04 0.42 -1.91 0.00 0.00 174.94 173.12 1h4b s THR 42 N -3.98 2.40 0.29 4.00 -4.23 -1.26 -5.03 115.64 107.83 1h4b s THR 42 Ca 0.31 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1h4b s THR 42 Cb 0.07 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1h4b s THR 42 CO 0.07 -0.19 1.69 1.55 -0.54 0.00 0.00 174.62 177.21 1h4b h PRO 43 N 1.91 0.22 0.00 3.99 0.13 -1.99 -2.70 132.00 133.56 1h4b h PRO 43 Ca -0.42 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.69 0.62 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.52 1h4b h ASP 44 N 0.18 0.00 0.20 1.44 3.32 -1.99 -0.30 116.42 119.28 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 0.84 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.41 1h4b h ASP 44 CO 0.07 0.12 -1.41 -0.33 -1.72 0.00 0.00 179.24 175.97 1h4b h GLU 45 N 0.00 0.43 -0.48 3.56 5.08 -1.90 -2.78 114.58 118.49 1h4b h GLU 45 Ca -0.00 -0.74 -0.03 0.00 -1.00 0.00 0.00 59.36 57.58 1h4b h GLU 45 Cb 0.30 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1h4b h GLU 45 CO 0.02 1.35 0.16 0.28 -1.00 0.00 0.00 179.01 179.82 1h4b h VAL 46 N -0.01 1.19 -0.39 3.13 2.07 -1.28 -0.70 116.25 120.26 1h4b h VAL 46 Ca -0.26 -0.65 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1h4b h VAL 46 Cb 2.01 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1h4b h VAL 46 CO 0.21 0.25 -0.27 0.11 0.02 0.00 0.00 177.57 177.88 1h4b h LYS 47 N 0.70 0.82 -0.35 1.57 1.57 -1.12 -2.63 116.57 117.13 1h4b h LYS 47 Ca 0.16 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1h4b h LYS 47 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1h4b h LYS 47 CO -0.01 0.99 -0.17 1.25 -0.57 0.00 0.00 179.45 180.95 1h4b h HIS 48 N 0.70 0.70 -0.32 -1.35 2.76 -1.05 -1.31 115.15 115.28 1h4b h HIS 48 Ca 0.09 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1h4b h HIS 48 Cb 0.81 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1h4b h HIS 48 CO 0.04 0.77 0.19 0.52 -1.30 0.00 0.00 177.93 178.15 1h4b h MET 49 N 0.57 0.43 -0.10 5.26 2.86 -0.87 -1.29 114.93 121.80 1h4b h MET 49 Ca 0.09 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1h4b h MET 49 Cb 0.61 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1h4b h MET 49 CO 0.04 0.33 0.05 0.52 1.06 0.00 0.00 176.91 178.91 1h4b h MET 50 N 0.41 0.14 -0.08 1.72 2.07 -1.21 1.12 114.93 119.10 1h4b h MET 50 Ca 0.11 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1h4b h MET 50 Cb 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1h4b h MET 50 CO -0.02 0.19 0.26 0.00 1.07 0.00 0.00 176.91 178.41 1h4b h ALA 51 N 0.94 1.45 0.01 6.32 0.00 -0.88 2.01 119.26 129.11 1h4b h ALA 51 Ca 0.03 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1h4b h ALA 51 Cb 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1h4b h ALA 51 CO -0.01 -0.30 -2.36 0.39 0.00 0.00 0.00 179.25 176.97 1h4b n GLU 52 N -3.18 0.67 0.06 0.00 -0.58 -0.30 -4.38 120.64 112.92 1h4b n GLU 52 Ca -0.00 0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 1h4b n GLU 52 Cb 0.34 -1.55 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 1h4b n GLU 52 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1h4b h ILE 53 N 0.01 1.57 -1.76 -3.67 2.04 0.26 -3.43 117.51 112.54 1h4b h ILE 53 Ca -0.54 -3.28 -0.49 0.00 1.00 0.00 0.00 64.86 61.56 1h4b h ILE 53 Cb 2.03 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1h4b h ILE 53 CO -0.03 0.91 1.57 -0.62 0.00 0.00 0.00 178.15 179.98 1h4b s ASP 54 N -6.72 4.73 -0.03 1.72 2.15 0.67 -4.82 116.67 114.37 1h4b s ASP 54 Ca -0.01 1.11 -0.24 0.00 0.43 0.00 0.00 52.55 53.84 1h4b s ASP 54 Cb 0.09 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 40.00 1h4b s ASP 54 CO 0.83 -2.65 1.13 0.71 -0.17 0.00 0.00 175.17 175.02 1h4b h THR 55 N 7.48 1.48 0.00 1.71 1.35 -1.86 -3.32 112.91 119.75 1h4b h THR 55 Ca -0.27 -1.68 -0.24 0.00 -0.55 0.00 0.00 66.41 63.67 1h4b h THR 55 Cb 1.25 2.48 -0.04 0.00 -1.73 0.00 0.00 68.15 70.11 1h4b h THR 55 CO 1.13 0.46 -1.34 -2.24 -0.25 0.00 0.00 175.52 173.29 1h4b h ASP 56 N -0.41 0.00 0.00 5.36 2.03 -1.92 -3.48 116.42 118.01 1h4b h ASP 56 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1h4b h ASP 56 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1h4b h ASP 56 CO 0.04 0.95 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 1h4b n GLY 57 N 1.44 1.21 0.07 7.15 0.00 -1.25 -4.96 105.19 108.86 1h4b n GLY 57 Ca -0.08 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.74 0.25 0.00 1.61 5.75 -1.26 -4.86 116.55 118.78 1h4b n ASP 58 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1h4b n ASP 58 Cb 0.13 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 1.16 0.40 3.13 6.12 0.00 -1.26 -5.06 105.19 109.68 1h4b n GLY 59 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.13 0.91 -0.19 1.61 0.08 -1.26 -4.44 117.98 112.57 1h4b s PHE 60 Ca 0.00 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.36 1h4b s PHE 60 Cb 0.00 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1h4b s PHE 60 CO 0.00 -0.05 0.04 0.42 -0.10 0.00 0.00 175.22 175.54 1h4b s ILE 61 N -2.15 4.55 0.47 0.64 -1.09 -0.50 -4.77 121.20 118.36 1h4b s ILE 61 Ca 0.00 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1h4b s ILE 61 Cb -0.05 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 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 0.53 5.62 0.24 3.58 0.01 -1.26 -1.42 113.70 121.01 1h4b s SER 62 Ca 0.02 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1h4b s SER 62 Cb -0.13 -1.15 0.41 0.00 0.21 0.00 0.00 66.02 65.35 1h4b s SER 62 CO 0.01 -0.84 1.80 0.15 0.41 0.00 0.00 173.24 174.78 1h4b h PHE 63 N 0.37 0.82 -0.15 2.43 3.57 -1.97 0.24 116.94 122.25 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 39.76 1h4b h PHE 63 CO 0.41 0.32 0.09 0.37 -2.23 0.00 0.00 178.31 177.27 1h4b h GLN 64 N 0.75 0.20 -0.32 1.11 5.75 -1.93 0.29 115.11 120.96 1h4b h GLN 64 Ca 0.40 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.89 1h4b h GLN 64 Cb 0.40 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1h4b h GLN 64 CO -0.26 0.17 0.21 0.93 -2.65 0.00 0.00 178.83 177.22 1h4b h GLU 65 N 0.17 0.41 -0.74 1.69 5.08 -1.57 0.11 114.58 119.74 1h4b h GLU 65 Ca 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1h4b h GLU 65 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1h4b h GLU 65 CO -0.01 0.27 0.33 0.35 -1.00 0.00 0.00 179.01 178.95 1h4b h PHE 66 N 0.42 1.07 -0.15 4.33 3.04 -0.26 -1.12 116.94 124.27 1h4b h PHE 66 Ca 0.12 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1h4b h PHE 66 Cb -0.04 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.14 1h4b h PHE 66 CO -0.06 0.79 0.00 1.15 -2.02 0.00 0.00 178.31 178.18 1h4b h THR 67 N 1.05 1.25 -0.70 4.41 2.02 0.23 0.44 112.91 121.60 1h4b h THR 67 Ca 0.25 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1h4b h THR 67 Cb 0.14 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1h4b h THR 67 CO -0.03 0.24 0.47 0.44 0.37 0.00 0.00 175.52 177.01 1h4b h ASP 68 N 0.01 0.75 0.31 4.18 3.32 -0.50 -1.58 116.42 122.91 1h4b h ASP 68 Ca 0.04 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 1h4b h ASP 68 Cb 0.36 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1h4b h ASP 68 CO 0.01 0.53 -1.05 0.15 -1.72 0.00 0.00 179.24 177.16 1h4b h PHE 69 N 0.88 0.70 -0.28 4.55 3.04 -0.94 -3.11 116.94 121.78 1h4b h PHE 69 Ca 0.27 -0.41 0.05 0.00 3.98 0.00 0.00 57.97 61.87 1h4b h PHE 69 Cb 0.02 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1h4b h PHE 69 CO -0.00 1.25 0.19 0.78 -2.02 0.00 0.00 178.31 178.51 1h4b h GLY 70 N 1.06 0.16 1.90 2.40 0.00 0.81 0.12 103.07 109.51 1h4b h GLY 70 Ca -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1h4b h GLY 70 CO 0.19 0.04 -0.36 3.21 0.00 0.00 0.00 176.54 179.62 1h4b h ARG 71 N 0.14 0.12 0.00 4.80 3.08 -1.30 0.47 114.38 121.68 1h4b h ARG 71 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1h4b h ARG 71 Cb 0.33 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1h4b h ARG 71 CO -0.02 0.47 -0.08 0.00 -1.07 0.00 0.00 179.97 179.27 1h4b h ALA 72 N 1.53 1.06 -0.92 0.04 0.00 -0.81 -3.32 119.26 116.84 1h4b h ALA 72 Ca 0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1h4b h ALA 72 Cb 0.69 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.19 1h4b h ALA 72 CO 0.05 0.10 -0.81 0.27 0.00 0.00 0.00 179.25 178.86 1h4b n ASN 73 N -3.27 -0.70 -0.32 0.00 0.23 -0.71 -4.95 115.26 105.53 1h4b n ASN 73 Ca -0.00 -3.25 0.17 0.00 -0.53 0.00 0.00 54.58 50.96 1h4b n ASN 73 Cb 0.30 0.61 0.41 0.00 -2.08 0.00 0.00 39.78 39.02 1h4b n ASN 73 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1h4b h ARG 74 N 2.93 0.58 -0.40 -3.83 0.11 -0.20 0.87 114.38 114.43 1h4b h ARG 74 Ca -0.03 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.07 1h4b h ARG 74 Cb 1.07 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.99 1h4b h ARG 74 CO 0.30 0.38 0.27 0.78 0.10 0.00 0.00 179.97 181.80 1h4b h GLY 75 N 0.60 0.40 0.97 0.08 0.00 -1.93 -1.22 103.07 101.97 1h4b h GLY 75 Ca 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1h4b h GLY 75 CO -0.33 0.11 0.15 1.41 0.00 0.00 0.00 176.54 177.87 1h4b h LEU 76 N 0.33 0.73 -0.91 3.11 3.38 0.43 -2.34 115.31 120.04 1h4b h LEU 76 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h4b h LEU 76 Cb 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1h4b h LEU 76 CO -0.04 0.75 0.53 -0.07 0.09 0.00 0.00 178.44 179.70 1h4b h LEU 77 N 0.67 1.11 -1.30 1.67 -0.00 -1.09 0.15 115.31 116.52 1h4b h LEU 77 Ca 0.16 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1h4b h LEU 77 Cb 0.28 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1h4b h LEU 77 CO -0.00 0.87 -0.00 0.11 -0.00 0.00 0.00 178.44 179.41 1h4b h LYS 78 N 1.26 0.47 0.01 1.13 1.57 -1.15 0.46 116.57 120.32 1h4b h LYS 78 Ca 0.32 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1h4b h LYS 78 Cb -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1h4b h LYS 78 CO -0.06 0.50 -0.10 0.22 -0.57 0.00 0.00 179.45 179.44 1h4b h ASP 79 N 0.45 0.06 -0.38 0.86 1.82 -0.81 -3.21 116.42 115.22 1h4b h ASP 79 Ca 0.10 -0.93 -0.04 0.00 -0.39 0.00 0.00 57.03 55.77 1h4b h ASP 79 Cb 0.30 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1h4b h ASP 79 CO 0.01 0.99 0.09 1.62 -1.61 0.00 0.00 179.24 180.34 1h4b h VAL 80 N -0.85 1.23 -1.01 2.25 3.04 -0.64 -2.69 116.25 117.58 1h4b h VAL 80 Ca -0.02 -0.77 0.22 0.00 -1.01 0.00 0.00 66.70 65.13 1h4b h VAL 80 Cb 1.02 1.00 -0.12 0.00 -2.01 0.00 0.00 31.29 31.18 1h4b h VAL 80 CO 0.02 0.27 0.60 0.00 -1.01 0.00 0.00 177.57 177.45 1h4b h ALA 81 N 0.94 1.75 0.00 3.17 0.00 -0.20 0.71 119.26 125.63 1h4b h ALA 81 Ca 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1h4b h ALA 81 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h4b h ALA 81 CO 0.00 -0.18 -0.26 0.87 0.00 0.00 0.00 179.25 179.68 1h4b h LYS 82 N 0.66 0.00 -0.37 0.00 1.57 -1.48 -3.01 116.57 113.94 1h4b h LYS 82 Ca 0.62 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.36 1h4b h LYS 82 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1h4b h LYS 82 CO -0.43 0.26 0.07 0.82 -0.57 0.00 0.00 179.45 179.59 1h4b h ILE 83 N 0.00 1.24 -0.01 1.86 2.04 0.57 -3.52 117.51 119.68 1h4b h ILE 83 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1h4b h ILE 83 Cb 0.69 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1h4b h ILE 83 CO 0.03 0.28 0.00 0.49 0.00 0.00 0.00 178.15 178.95