#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 -3.06 -4.76 0.00 8.00 -1.26 -4.84 116.55 110.64 1h4b n ASP 2 Ca 0.00 -1.01 -0.39 0.00 0.71 0.00 0.00 54.79 54.11 1h4b n ASP 2 Cb 0.00 -2.52 0.02 0.00 -0.02 0.00 0.00 41.12 38.60 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 -3.23 5.69 0.41 -2.24 1.01 -1.26 -5.02 116.67 112.04 1h4b s ASP 3 Ca 0.75 2.72 0.07 0.00 0.71 0.00 0.00 52.55 56.80 1h4b s ASP 3 Cb -0.41 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 40.84 1h4b s ASP 3 CO 0.92 -1.28 0.22 -1.38 0.21 0.00 0.00 175.17 173.85 1h4b s HIS 4 N -1.31 2.63 0.25 4.23 -3.43 -1.26 -5.01 115.29 111.39 1h4b s HIS 4 Ca 0.66 -0.57 0.32 0.00 -0.80 0.00 0.00 55.06 54.67 1h4b s HIS 4 Cb -0.39 -2.00 1.43 0.00 -1.43 0.00 0.00 32.58 30.19 1h4b s HIS 4 CO 0.48 0.13 2.02 -1.00 -2.00 0.00 0.00 174.74 174.37 1h4b h PRO 5 N 1.35 0.00 -0.45 -0.38 0.13 -2.02 -2.75 132.00 127.88 1h4b h PRO 5 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1h4b h PRO 5 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 5 CO 0.67 0.07 0.05 1.96 -0.23 0.00 0.00 178.00 180.53 1h4b h GLN 6 N 0.00 0.71 -0.36 0.86 4.20 -2.02 -2.73 115.11 115.77 1h4b h GLN 6 Ca -0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1h4b h GLN 6 Cb 0.46 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1h4b h GLN 6 CO 0.01 0.69 0.18 -0.44 -0.67 0.00 0.00 178.83 178.61 1h4b h ASP 7 N 0.68 0.46 -1.03 1.46 3.32 -1.90 -2.10 116.42 117.31 1h4b h ASP 7 Ca 0.14 -0.11 0.26 0.00 0.02 0.00 0.00 57.03 57.35 1h4b h ASP 7 Cb 0.35 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 1h4b h ASP 7 CO 0.01 0.44 0.66 0.11 -1.72 0.00 0.00 179.24 178.74 1h4b h LYS 8 N 0.45 0.39 -0.37 3.56 1.57 -1.59 0.34 116.57 120.92 1h4b h LYS 8 Ca 0.13 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1h4b h LYS 8 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1h4b h LYS 8 CO -0.02 0.26 0.21 0.00 -0.57 0.00 0.00 179.45 179.33 1h4b h ALA 9 N 1.62 0.46 -0.53 3.86 0.00 -1.36 0.96 119.26 124.26 1h4b h ALA 9 Ca 0.59 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 1h4b h ALA 9 Cb 1.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1h4b h ALA 9 CO -0.29 -0.13 -0.11 0.93 0.00 0.00 0.00 179.25 179.65 1h4b h GLU 10 N 0.44 1.01 -0.61 0.00 4.39 -0.43 -1.59 114.58 117.79 1h4b h GLU 10 Ca 0.14 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 1h4b h GLU 10 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1h4b h GLU 10 CO -0.07 1.06 0.04 0.00 -1.16 0.00 0.00 179.01 178.88 1h4b h ARG 11 N 0.88 1.05 -0.69 2.33 3.08 -0.26 -0.79 114.38 119.98 1h4b h ARG 11 Ca 0.14 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1h4b h ARG 11 Cb 0.68 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1h4b h ARG 11 CO 0.05 1.01 0.13 0.93 -1.07 0.00 0.00 179.97 181.02 1h4b h GLU 12 N 0.95 1.12 -0.39 0.04 5.08 0.11 0.48 114.58 121.97 1h4b h GLU 12 Ca 0.18 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1h4b h GLU 12 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1h4b h GLU 12 CO 0.02 1.00 -0.34 0.00 -1.00 0.00 0.00 179.01 178.70 1h4b h ARG 13 N 1.05 0.90 -0.13 2.33 3.08 -1.04 0.20 114.38 120.76 1h4b h ARG 13 Ca 0.21 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1h4b h ARG 13 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1h4b h ARG 13 CO 0.01 1.09 -0.28 0.82 -1.07 0.00 0.00 179.97 180.54 1h4b h ILE 14 N 0.75 1.37 -0.47 2.04 2.04 -0.85 -1.91 117.51 120.48 1h4b h ILE 14 Ca 0.07 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1h4b h ILE 14 Cb 0.91 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1h4b h ILE 14 CO 0.08 0.46 0.04 0.15 0.00 0.00 0.00 178.15 178.89 1h4b h PHE 15 N 0.02 0.78 0.00 1.37 3.57 0.00 -1.37 116.94 121.31 1h4b h PHE 15 Ca 0.00 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1h4b h PHE 15 Cb 0.88 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1h4b h PHE 15 CO 0.10 0.71 -0.27 0.87 -2.23 0.00 0.00 178.31 177.49 1h4b h LYS 16 N 0.71 0.00 -0.41 1.11 1.57 -0.51 -1.87 116.57 117.17 1h4b h LYS 16 Ca 0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1h4b h LYS 16 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1h4b h LYS 16 CO 0.01 0.27 -0.30 0.00 -0.57 0.00 0.00 179.45 178.86 1h4b h ARG 17 N 0.00 0.90 0.08 3.15 3.08 -0.42 -3.20 114.38 117.96 1h4b h ARG 17 Ca -0.00 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1h4b h ARG 17 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h4b h ARG 17 CO 0.04 1.08 -0.04 0.74 -1.07 0.00 0.00 179.97 180.71 1h4b h PHE 18 N 0.76 -0.10 -1.21 3.04 0.04 -1.04 -3.40 116.94 115.02 1h4b h PHE 18 Ca 0.08 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.33 1h4b h PHE 18 Cb 0.87 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1h4b h PHE 18 CO 0.05 0.31 1.60 -3.47 -0.60 0.00 0.00 178.31 176.21 1h4b n ASP 19 N -4.94 1.97 0.05 2.17 2.03 -0.75 -4.57 116.55 112.51 1h4b n ASP 19 Ca -0.08 -0.11 -0.13 0.00 0.52 0.00 0.00 54.79 54.99 1h4b n ASP 19 Cb 0.23 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 39.16 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 16.14 -0.14 0.00 -1.67 0.00 -1.83 -3.29 119.26 128.47 1h4b h ALA 20 Ca -0.23 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1h4b h ALA 20 Cb 1.29 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1h4b h ALA 20 CO 1.16 -0.39 -1.27 -2.95 0.00 0.00 0.00 179.25 175.80 1h4b h ASN 21 N -0.52 0.00 -0.50 0.00 -1.07 -1.92 -3.48 115.58 108.09 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 0.75 0.00 0.61 0.07 0.00 0.00 177.43 178.88 1h4b n GLY 22 N 1.40 0.99 0.88 9.14 0.00 -1.24 -4.97 105.19 111.39 1h4b n GLY 22 Ca -0.08 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 0.82 2.60 0.00 1.61 5.75 -1.26 -4.89 116.55 121.18 1h4b n ASP 23 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1h4b n ASP 23 Cb 0.27 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.31 0.97 3.10 6.12 0.00 -1.26 -5.03 105.19 110.40 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 -0.64 0.97 -0.11 1.61 -2.85 -1.26 -3.82 119.74 113.64 1h4b s LYS 25 Ca 0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1h4b s LYS 25 Cb 0.00 -0.95 -0.02 0.00 -2.06 0.00 0.00 37.83 34.80 1h4b s LYS 25 CO 0.00 0.25 -0.10 0.42 0.10 0.00 0.00 175.35 176.01 1h4b s ILE 26 N -0.52 3.32 0.39 3.79 1.01 -0.46 -4.80 121.20 123.92 1h4b s ILE 26 Ca 0.03 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1h4b s ILE 26 Cb -0.06 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 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 -0.04 5.21 0.23 3.58 1.04 -1.26 -1.52 113.70 120.93 1h4b s SER 27 Ca -0.02 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.72 1h4b s SER 27 Cb -0.14 -0.73 0.37 0.00 0.10 0.00 0.00 66.02 65.62 1h4b s SER 27 CO 0.03 -0.56 1.69 0.00 0.98 0.00 0.00 173.24 175.39 1h4b h ALA 28 N 1.06 0.81 -0.89 5.32 0.00 -1.93 0.74 119.26 124.36 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 0.56 -0.33 0.55 0.00 0.00 0.00 0.00 179.25 180.03 1h4b h ALA 29 N 1.56 1.26 0.13 0.00 0.00 -1.96 1.80 119.26 122.04 1h4b h ALA 29 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1h4b h ALA 29 Cb 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h4b h ALA 29 CO -0.47 0.25 -0.06 0.93 0.00 0.00 0.00 179.25 179.89 1h4b h GLU 30 N 0.96 -0.16 -0.43 0.00 5.08 -0.83 -0.14 114.58 119.06 1h4b h GLU 30 Ca 0.41 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1h4b h GLU 30 Cb 0.27 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1h4b h GLU 30 CO -0.21 0.30 0.27 1.25 -1.00 0.00 0.00 179.01 179.63 1h4b h LEU 31 N -0.87 0.46 -0.55 1.33 6.46 0.55 -1.47 115.31 121.22 1h4b h LEU 31 Ca -0.02 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1h4b h LEU 31 Cb 0.54 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1h4b h LEU 31 CO 0.03 0.33 0.31 1.23 -0.62 0.00 0.00 178.44 179.72 1h4b h GLY 32 N 0.55 0.82 0.81 3.75 0.00 0.27 0.34 103.07 109.62 1h4b h GLY 32 Ca 0.16 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1h4b h GLY 32 CO -0.05 0.36 0.61 0.83 0.00 0.00 0.00 176.54 178.29 1h4b h GLU 33 N 0.74 1.12 -0.24 4.80 4.39 -0.46 -1.03 114.58 123.90 1h4b h GLU 33 Ca 0.20 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1h4b h GLU 33 Cb 0.04 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1h4b h GLU 33 CO -0.03 0.74 -0.61 0.00 -1.16 0.00 0.00 179.01 177.95 1h4b h ALA 34 N 1.41 0.48 -0.21 3.43 0.00 -0.79 -2.99 119.26 120.58 1h4b h ALA 34 Ca 0.39 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1h4b h ALA 34 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h4b h ALA 34 CO -0.14 0.69 0.14 -0.07 0.00 0.00 0.00 179.25 179.86 1h4b h LEU 35 N 0.59 0.21 -1.78 0.00 3.38 -0.01 -2.01 115.31 115.69 1h4b h LEU 35 Ca -0.00 -0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.37 1h4b h LEU 35 Cb 1.21 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1h4b h LEU 35 CO 0.13 0.15 1.13 0.11 0.09 0.00 0.00 178.44 180.05 1h4b h LYS 36 N 0.25 0.00 -0.50 1.13 1.57 -1.07 1.12 116.57 119.07 1h4b h LYS 36 Ca 0.08 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.01 1h4b h LYS 36 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1h4b h LYS 36 CO -0.02 0.00 0.47 0.00 -0.57 0.00 0.00 179.45 179.33 1h4b h THR 37 N 0.00 0.45 -0.48 -0.16 1.03 -1.56 0.33 112.91 112.53 1h4b h THR 37 Ca 0.67 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 67.11 1h4b h THR 37 Cb 2.92 0.64 -0.03 0.00 -1.07 0.00 0.00 68.15 70.62 1h4b h THR 37 CO -0.01 0.00 0.32 -0.07 -0.01 0.00 0.00 175.52 175.75 1h4b h LEU 38 N 0.00 0.40 0.00 0.00 3.38 0.11 -3.45 115.31 115.74 1h4b h LEU 38 Ca 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h4b h LEU 38 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1h4b h LEU 38 CO -0.00 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1h4b n GLY 39 N -1.50 0.59 2.64 0.83 0.00 0.12 -4.79 105.19 103.08 1h4b n GLY 39 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.07 -1.62 -4.21 1.61 7.64 -1.26 -5.14 113.62 110.57 1h4b n SER 40 Ca 0.00 -3.31 -0.12 0.00 1.01 0.00 0.00 58.87 56.45 1h4b n SER 40 Cb 0.03 1.26 -0.10 0.00 -1.01 0.00 0.00 64.21 64.40 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 -0.30 0.11 0.32 0.44 2.07 -1.26 -5.17 121.20 117.40 1h4b s ILE 41 Ca 0.25 -1.99 0.07 0.00 -1.41 0.00 0.00 60.65 57.57 1h4b s ILE 41 Cb 0.33 -2.45 -0.06 0.00 0.13 0.00 0.00 42.46 40.41 1h4b s ILE 41 CO -0.06 -0.07 -0.05 0.42 -1.91 0.00 0.00 174.94 173.27 1h4b s THR 42 N -4.08 1.79 0.27 4.00 -4.23 -1.26 -5.03 115.64 107.11 1h4b s THR 42 Ca 0.36 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1h4b s THR 42 Cb 0.07 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1h4b s THR 42 CO 0.11 -0.21 1.66 1.55 -0.54 0.00 0.00 174.62 177.19 1h4b h PRO 43 N 2.14 0.34 0.00 3.99 0.13 -1.99 -2.76 132.00 133.85 1h4b h PRO 43 Ca -0.41 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.70 0.70 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.61 1h4b h ASP 44 N 0.29 0.00 0.51 1.44 3.32 -1.99 -0.66 116.42 119.33 1h4b h ASP 44 Ca 0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.78 1h4b h ASP 44 Cb 0.85 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.41 1h4b h ASP 44 CO 0.07 0.12 -1.37 -0.33 -1.72 0.00 0.00 179.24 176.01 1h4b h GLU 45 N 0.00 0.32 -0.30 3.56 5.08 -1.91 -2.93 114.58 118.40 1h4b h GLU 45 Ca -0.00 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 57.73 1h4b h GLU 45 Cb 0.25 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1h4b h GLU 45 CO 0.02 1.24 -0.17 0.28 -1.00 0.00 0.00 179.01 179.37 1h4b h VAL 46 N 0.09 1.25 -0.41 3.13 2.07 -1.21 -1.51 116.25 119.66 1h4b h VAL 46 Ca -0.19 -1.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 1h4b h VAL 46 Cb 2.02 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1h4b h VAL 46 CO 0.21 0.37 -0.23 0.50 0.02 0.00 0.00 177.57 178.44 1h4b h LYS 47 N 0.49 0.82 -0.43 1.57 3.64 -1.18 -2.35 116.57 119.14 1h4b h LYS 47 Ca 0.08 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1h4b h LYS 47 Cb 0.58 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1h4b h LYS 47 CO 0.04 0.97 -0.16 1.25 -2.27 0.00 0.00 179.45 179.28 1h4b h HIS 48 N 0.71 0.91 -0.29 1.91 2.76 -1.25 -1.05 115.15 118.86 1h4b h HIS 48 Ca 0.10 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1h4b h HIS 48 Cb 0.76 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1h4b h HIS 48 CO 0.04 0.92 0.15 0.52 -1.30 0.00 0.00 177.93 178.26 1h4b h MET 49 N 0.73 0.40 -0.19 5.26 2.86 -1.02 -1.10 114.93 121.88 1h4b h MET 49 Ca 0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1h4b h MET 49 Cb 0.67 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1h4b h MET 49 CO 0.05 0.36 0.10 0.52 1.06 0.00 0.00 176.91 178.99 1h4b h MET 50 N 0.34 0.27 0.00 1.72 2.07 -1.24 0.85 114.93 118.95 1h4b h MET 50 Ca 0.10 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1h4b h MET 50 Cb 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1h4b h MET 50 CO -0.02 0.28 0.06 0.00 1.07 0.00 0.00 176.91 178.30 1h4b h ALA 51 N 0.98 1.06 0.02 6.32 0.00 -0.90 1.59 119.26 128.32 1h4b h ALA 51 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 1h4b h ALA 51 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1h4b h ALA 51 CO -0.01 -0.06 -2.30 0.39 0.00 0.00 0.00 179.25 177.28 1h4b n GLU 52 N -2.96 0.68 0.06 0.00 1.02 -0.31 -4.37 120.64 114.75 1h4b n GLU 52 Ca -0.03 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1h4b n GLU 52 Cb 0.12 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.01 1.46 -1.60 -3.67 2.04 0.17 -3.43 117.51 112.49 1h4b h ILE 53 Ca -0.52 -3.14 -0.48 0.00 1.00 0.00 0.00 64.86 61.72 1h4b h ILE 53 Cb 2.03 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1h4b h ILE 53 CO -0.01 0.87 1.62 -0.67 0.00 0.00 0.00 178.15 179.96 1h4b n ASP 54 N -3.37 2.39 -0.03 1.72 2.03 0.53 -4.80 116.55 115.01 1h4b n ASP 54 Ca -0.07 -0.38 -0.13 0.00 0.52 0.00 0.00 54.79 54.73 1h4b n ASP 54 Cb 0.99 -1.56 -0.09 0.00 -0.72 0.00 0.00 41.12 39.74 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 7.63 1.41 0.02 5.18 1.35 -1.86 -3.31 112.91 123.33 1h4b h THR 55 Ca -0.26 -1.37 -0.26 0.00 -0.55 0.00 0.00 66.41 63.96 1h4b h THR 55 Cb 1.27 2.18 -0.04 0.00 -1.73 0.00 0.00 68.15 69.83 1h4b h THR 55 CO 1.14 0.38 -1.43 -2.24 -0.25 0.00 0.00 175.52 173.11 1h4b h ASP 56 N -0.31 0.05 0.00 5.36 3.04 -1.92 -3.48 116.42 119.16 1h4b h ASP 56 Ca 0.00 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 1h4b h ASP 56 Cb 0.66 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 1h4b h ASP 56 CO 0.02 1.07 0.00 0.61 -2.04 0.00 0.00 179.24 178.90 1h4b n GLY 57 N 1.50 1.28 0.07 7.15 0.00 -1.25 -4.96 105.19 108.99 1h4b n GLY 57 Ca -0.11 -0.33 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 0.72 0.24 0.00 1.61 5.68 -1.26 -4.86 116.55 118.67 1h4b n ASP 58 Ca 0.00 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 1h4b n ASP 58 Cb 0.14 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1h4b n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h4b n GLY 59 N 1.14 0.09 3.19 6.12 0.00 -1.26 -5.06 105.19 109.40 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 -2.01 1.08 -0.17 1.61 0.08 -1.26 -4.43 117.98 112.89 1h4b s PHE 60 Ca 0.00 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.32 1h4b s PHE 60 Cb 0.00 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1h4b s PHE 60 CO 0.00 0.00 -0.01 0.42 -0.10 0.00 0.00 175.22 175.54 1h4b s ILE 61 N -2.62 4.13 0.45 0.64 -1.09 -0.57 -4.77 121.20 117.37 1h4b s ILE 61 Ca 0.07 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1h4b s ILE 61 Cb -0.02 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1h4b s ILE 61 CO -0.00 0.47 0.65 -0.94 -1.23 0.00 0.00 174.94 173.89 1h4b s SER 62 N 0.47 5.65 0.25 3.58 1.04 -1.26 -1.36 113.70 122.06 1h4b s SER 62 Ca -0.01 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 1h4b s SER 62 Cb -0.14 -1.10 0.42 0.00 0.10 0.00 0.00 66.02 65.30 1h4b s SER 62 CO 0.02 -0.80 1.80 0.15 0.98 0.00 0.00 173.24 175.39 1h4b h PHE 63 N 0.44 0.82 -0.03 5.02 3.57 -1.97 0.26 116.94 125.05 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 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1h4b h PHE 63 CO 0.41 0.30 0.02 0.37 -2.23 0.00 0.00 178.31 177.18 1h4b h GLN 64 N 0.74 0.04 -0.36 1.11 5.75 -1.93 0.51 115.11 120.97 1h4b h GLN 64 Ca 0.41 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.92 1h4b h GLN 64 Cb 0.42 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1h4b h GLN 64 CO -0.27 0.05 0.20 0.93 -2.65 0.00 0.00 178.83 177.09 1h4b h GLU 65 N 0.01 0.40 -0.43 1.69 5.08 -1.58 0.69 114.58 120.45 1h4b h GLU 65 Ca 0.01 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1h4b h GLU 65 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1h4b h GLU 65 CO -0.00 0.27 0.06 0.35 -1.00 0.00 0.00 179.01 178.68 1h4b h PHE 66 N 0.41 0.69 -0.08 4.33 3.04 -0.20 -1.54 116.94 123.59 1h4b h PHE 66 Ca 0.14 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1h4b h PHE 66 Cb 0.02 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.32 1h4b h PHE 66 CO -0.08 0.62 -0.00 1.15 -2.02 0.00 0.00 178.31 177.98 1h4b h THR 67 N 0.64 1.25 -0.51 4.41 2.02 0.98 0.86 112.91 122.56 1h4b h THR 67 Ca 0.14 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1h4b h THR 67 Cb 0.31 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1h4b h THR 67 CO 0.00 0.22 0.34 0.44 0.37 0.00 0.00 175.52 176.89 1h4b h ASP 68 N -0.14 0.57 0.42 4.18 3.32 -0.64 -1.73 116.42 122.41 1h4b h ASP 68 Ca 0.02 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 1h4b h ASP 68 Cb 0.34 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.77 1h4b h ASP 68 CO 0.00 0.41 -1.36 0.15 -1.72 0.00 0.00 179.24 176.73 1h4b h PHE 69 N 0.68 0.77 -0.16 4.55 3.04 -1.01 -3.17 116.94 121.64 1h4b h PHE 69 Ca 0.19 -0.55 0.05 0.00 3.98 0.00 0.00 57.97 61.63 1h4b h PHE 69 Cb -0.06 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 1h4b h PHE 69 CO -0.00 1.43 0.14 0.78 -2.02 0.00 0.00 178.31 178.64 1h4b h GLY 70 N 0.82 0.00 1.81 2.40 0.00 0.15 0.16 103.07 108.42 1h4b h GLY 70 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 1h4b h GLY 70 CO 0.24 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.43 1h4b h ARG 71 N 0.00 0.20 0.00 4.80 3.08 -1.31 0.51 114.38 121.65 1h4b h ARG 71 Ca 0.08 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1h4b h ARG 71 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1h4b h ARG 71 CO -0.00 0.71 -0.03 0.00 -1.07 0.00 0.00 179.97 179.58 1h4b h ALA 72 N 1.27 1.04 -0.63 0.04 0.00 -0.73 -3.30 119.26 116.96 1h4b h ALA 72 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1h4b h ALA 72 Cb 1.04 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.58 1h4b h ALA 72 CO 0.09 0.04 -0.72 0.09 0.00 0.00 0.00 179.25 178.75 1h4b n ASN 73 N -3.19 -0.89 -0.32 0.00 3.02 -0.95 -4.95 115.26 107.99 1h4b n ASN 73 Ca -0.01 -3.07 0.28 0.00 -0.03 0.00 0.00 54.58 51.74 1h4b n ASN 73 Cb 0.23 0.72 0.60 0.00 -0.61 0.00 0.00 39.78 40.72 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 2.75 0.23 -0.16 3.52 0.11 -0.07 1.28 114.38 122.04 1h4b h ARG 74 Ca -0.10 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 1h4b h ARG 74 Cb 1.13 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 1h4b h ARG 74 CO 0.23 0.15 0.08 0.78 0.10 0.00 0.00 179.97 181.31 1h4b h GLY 75 N 0.24 0.24 0.91 0.08 0.00 -1.93 -1.72 103.07 100.89 1h4b h GLY 75 Ca 0.59 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1h4b h GLY 75 CO -0.20 0.09 0.00 1.41 0.00 0.00 0.00 176.54 177.85 1h4b h LEU 76 N 0.23 0.59 -1.18 3.11 3.38 0.13 -2.32 115.31 119.25 1h4b h LEU 76 Ca 0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1h4b h LEU 76 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1h4b h LEU 76 CO -0.01 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.20 1h4b h LEU 77 N 0.41 0.00 -0.00 1.67 3.38 -1.30 -0.66 115.31 118.81 1h4b h LEU 77 Ca 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1h4b h LEU 77 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1h4b h LEU 77 CO 0.02 0.00 -0.84 0.11 0.09 0.00 0.00 178.44 177.82 1h4b h LYS 78 N 0.00 0.00 0.05 1.13 1.57 -0.88 -2.69 116.57 115.75 1h4b h LYS 78 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1h4b h LYS 78 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1h4b h LYS 78 CO 0.00 0.84 -1.55 -0.44 -0.57 0.00 0.00 179.45 177.73 1h4b h ASP 79 N 0.00 0.17 -0.62 0.86 3.32 -1.09 -3.34 116.42 115.72 1h4b h ASP 79 Ca -0.01 -0.68 0.03 0.00 0.02 0.00 0.00 57.03 56.39 1h4b h ASP 79 Cb 1.64 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 41.10 1h4b h ASP 79 CO 0.11 1.64 0.38 1.62 -1.72 0.00 0.00 179.24 181.26 1h4b h VAL 80 N -0.58 1.06 -0.99 -1.35 3.04 -1.26 -1.40 116.25 114.78 1h4b h VAL 80 Ca -0.38 -0.25 0.20 0.00 -1.01 0.00 0.00 66.70 65.26 1h4b h VAL 80 Cb 1.59 0.26 -0.10 0.00 -2.01 0.00 0.00 31.29 31.04 1h4b h VAL 80 CO -0.09 0.13 0.62 0.00 -1.01 0.00 0.00 177.57 177.22 1h4b h ALA 81 N 1.28 1.85 0.00 3.17 0.00 -1.64 0.47 119.26 124.38 1h4b h ALA 81 Ca 0.25 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1h4b h ALA 81 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1h4b h ALA 81 CO -0.11 -0.20 -0.32 0.87 0.00 0.00 0.00 179.25 179.49 1h4b h LYS 82 N 0.65 0.00 -0.65 0.00 1.57 -1.37 -2.89 116.57 113.88 1h4b h LYS 82 Ca 0.55 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1h4b h LYS 82 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1h4b h LYS 82 CO -0.32 0.32 0.40 0.82 -0.57 0.00 0.00 179.45 180.10 1h4b h ILE 83 N 0.00 1.18 -0.02 1.86 2.04 0.13 -3.52 117.51 119.19 1h4b h ILE 83 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1h4b h ILE 83 Cb 0.68 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1h4b h ILE 83 CO 0.04 0.19 0.00 0.49 0.00 0.00 0.00 178.15 178.87