#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 0.00 -4.57 0.00 8.00 -1.26 -4.68 116.55 114.04 1h4b n ASP 2 Ca 0.00 -0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.04 1h4b n ASP 2 Cb 0.00 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.64 6.49 0.47 -2.24 2.15 -1.26 -5.01 116.67 114.63 1h4b s ASP 3 Ca 0.26 0.14 0.06 0.00 0.43 0.00 0.00 52.55 53.44 1h4b s ASP 3 Cb 0.20 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.29 1h4b s ASP 3 CO 0.47 -1.30 0.26 -1.00 -0.17 0.00 0.00 175.17 173.43 1h4b s HIS 4 N 4.44 2.19 0.20 -5.34 3.76 -1.26 -5.01 115.29 114.26 1h4b s HIS 4 Ca 0.41 -0.71 0.28 0.00 -0.15 0.00 0.00 55.06 54.89 1h4b s HIS 4 Cb -0.09 -1.93 1.20 0.00 1.11 0.00 0.00 32.58 32.87 1h4b s HIS 4 CO 0.26 -0.08 1.94 -1.00 -0.85 0.00 0.00 174.74 175.01 1h4b h PRO 5 N 1.13 0.00 -0.36 8.40 0.13 -2.01 -2.85 132.00 136.45 1h4b h PRO 5 Ca -0.41 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.64 0.14 0.08 1.96 -0.23 0.00 0.00 178.00 180.59 1h4b h GLN 6 N 0.00 0.53 -0.32 0.86 4.20 -1.99 -2.53 115.11 115.86 1h4b h GLN 6 Ca -0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1h4b h GLN 6 Cb 0.58 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1h4b h GLN 6 CO 0.02 0.50 0.19 -0.44 -0.67 0.00 0.00 178.83 178.43 1h4b h ASP 7 N 0.52 0.39 -1.04 1.46 3.32 -1.91 -1.89 116.42 117.27 1h4b h ASP 7 Ca 0.12 -0.06 0.27 0.00 0.02 0.00 0.00 57.03 57.38 1h4b h ASP 7 Cb 0.22 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.58 1h4b h ASP 7 CO -0.00 0.33 0.67 0.11 -1.72 0.00 0.00 179.24 178.63 1h4b h LYS 8 N 0.42 0.39 -0.35 3.56 1.57 -1.58 0.42 116.57 120.99 1h4b h LYS 8 Ca 0.12 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1h4b h LYS 8 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1h4b h LYS 8 CO -0.02 0.26 0.21 0.00 -0.57 0.00 0.00 179.45 179.32 1h4b h ALA 9 N 1.63 0.44 -0.45 3.86 0.00 -1.34 1.37 119.26 124.77 1h4b h ALA 9 Ca 0.60 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.38 1h4b h ALA 9 Cb 1.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1h4b h ALA 9 CO -0.31 -0.14 -0.22 0.93 0.00 0.00 0.00 179.25 179.51 1h4b h GLU 10 N 0.43 0.91 -0.46 0.00 5.08 -0.28 -0.72 114.58 119.54 1h4b h GLU 10 Ca 0.14 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 1h4b h GLU 10 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 10 CO -0.06 1.04 -0.18 0.00 -1.00 0.00 0.00 179.01 178.81 1h4b h ARG 11 N 0.79 0.93 -0.59 2.33 3.08 -0.04 -0.40 114.38 120.47 1h4b h ARG 11 Ca 0.10 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 1h4b h ARG 11 Cb 0.78 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1h4b h ARG 11 CO 0.06 1.04 0.05 0.93 -1.07 0.00 0.00 179.97 180.99 1h4b h GLU 12 N 0.77 1.01 -0.47 0.04 5.08 0.20 0.48 114.58 121.69 1h4b h GLU 12 Ca 0.11 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1h4b h GLU 12 Cb 0.74 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1h4b h GLU 12 CO 0.06 0.98 -0.20 0.00 -1.00 0.00 0.00 179.01 178.84 1h4b h ARG 13 N 0.91 0.97 -0.19 2.33 3.08 -0.99 0.36 114.38 120.84 1h4b h ARG 13 Ca 0.17 -0.41 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 1h4b h ARG 13 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1h4b h ARG 13 CO 0.02 1.08 -0.36 0.82 -1.07 0.00 0.00 179.97 180.46 1h4b h ILE 14 N 0.81 1.33 -0.35 2.04 2.04 -0.85 -2.00 117.51 120.54 1h4b h ILE 14 Ca 0.11 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.27 1h4b h ILE 14 Cb 0.78 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1h4b h ILE 14 CO 0.06 0.49 -0.21 0.15 0.00 0.00 0.00 178.15 178.64 1h4b h PHE 15 N 0.25 0.75 0.00 1.37 3.04 0.05 -2.19 116.94 120.21 1h4b h PHE 15 Ca 0.01 -0.16 -0.06 0.00 3.98 0.00 0.00 57.97 61.74 1h4b h PHE 15 Cb 0.96 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1h4b h PHE 15 CO 0.09 0.83 -0.27 0.87 -2.02 0.00 0.00 178.31 177.81 1h4b h LYS 16 N 0.59 0.00 -0.21 1.11 1.57 -0.19 -1.52 116.57 117.92 1h4b h LYS 16 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 1h4b h LYS 16 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1h4b h LYS 16 CO 0.05 0.27 -0.55 0.00 -0.57 0.00 0.00 179.45 178.66 1h4b h ARG 17 N 0.00 0.63 -0.06 3.15 3.08 -0.75 -3.22 114.38 117.21 1h4b h ARG 17 Ca -0.00 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1h4b h ARG 17 Cb 0.49 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1h4b h ARG 17 CO 0.04 1.01 -0.06 0.74 -1.07 0.00 0.00 179.97 180.63 1h4b h PHE 18 N 0.48 0.17 -1.67 3.04 0.04 -0.99 -3.40 116.94 114.61 1h4b h PHE 18 Ca 0.01 -0.05 -0.51 0.00 2.80 0.00 0.00 57.97 60.22 1h4b h PHE 18 Cb 1.11 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1h4b h PHE 18 CO 0.05 0.59 1.59 -3.47 -0.60 0.00 0.00 178.31 176.47 1h4b n ASP 19 N -4.74 2.57 0.05 2.17 2.03 -0.63 -4.46 116.55 113.54 1h4b n ASP 19 Ca -0.07 -0.23 -0.13 0.00 0.52 0.00 0.00 54.79 54.87 1h4b n ASP 19 Cb 0.29 -1.55 -0.09 0.00 -0.72 0.00 0.00 41.12 39.05 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 17.76 -0.12 0.00 -1.67 0.00 -1.83 -3.30 119.26 130.09 1h4b h ALA 20 Ca -0.29 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.19 1h4b h ALA 20 Cb 1.26 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1h4b h ALA 20 CO 1.09 -0.39 -1.49 -2.95 0.00 0.00 0.00 179.25 175.51 1h4b h ASN 21 N -0.48 0.00 -0.22 0.00 -1.07 -1.91 -3.48 115.58 108.41 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 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1h4b h ASN 21 CO 0.02 0.92 0.00 0.61 0.07 0.00 0.00 177.43 179.05 1h4b n GLY 22 N 1.48 1.15 0.60 9.14 0.00 -1.25 -4.97 105.19 111.35 1h4b n GLY 22 Ca -0.12 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.65 1.81 0.00 1.61 5.75 -1.26 -4.88 116.55 120.24 1h4b n ASP 23 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1h4b n ASP 23 Cb 0.19 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.15 0.87 3.10 6.12 0.00 -1.26 -5.04 105.19 110.14 1h4b n GLY 24 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.67 0.98 -0.11 1.61 -2.85 -1.26 -3.89 119.74 113.55 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 -0.95 -0.02 0.00 -2.06 0.00 0.00 37.83 34.79 1h4b s LYS 25 CO 0.00 0.25 -0.10 0.42 0.10 0.00 0.00 175.35 176.02 1h4b s ILE 26 N -0.48 3.36 0.38 3.79 1.01 -0.48 -4.80 121.20 123.98 1h4b s ILE 26 Ca 0.04 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1h4b s ILE 26 Cb -0.06 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1h4b s ILE 26 CO 0.00 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.88 1h4b s SER 27 N -0.10 5.14 0.24 3.58 1.04 -1.26 -1.53 113.70 120.80 1h4b s SER 27 Ca -0.00 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 1h4b s SER 27 Cb -0.13 -0.76 0.42 0.00 0.10 0.00 0.00 66.02 65.65 1h4b s SER 27 CO 0.03 -0.50 1.70 0.00 0.98 0.00 0.00 173.24 175.45 1h4b h ALA 28 N 1.15 0.93 -0.96 5.32 0.00 -1.93 0.59 119.26 124.36 1h4b h ALA 28 Ca -0.43 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1h4b h ALA 28 Cb 1.26 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1h4b h ALA 28 CO 0.58 -0.29 0.63 0.00 0.00 0.00 0.00 179.25 180.16 1h4b h ALA 29 N 1.56 1.44 0.10 0.00 0.00 -1.96 1.93 119.26 122.32 1h4b h ALA 29 Ca 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1h4b h ALA 29 Cb 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1h4b h ALA 29 CO -0.45 0.43 -0.05 0.93 0.00 0.00 0.00 179.25 180.11 1h4b h GLU 30 N 1.14 -0.13 -0.67 0.00 5.08 -0.76 0.58 114.58 119.82 1h4b h GLU 30 Ca 0.41 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1h4b h GLU 30 Cb 0.15 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1h4b h GLU 30 CO -0.15 0.37 0.32 1.25 -1.00 0.00 0.00 179.01 179.79 1h4b h LEU 31 N -0.89 0.87 -0.34 1.33 5.85 0.16 -1.01 115.31 121.28 1h4b h LEU 31 Ca -0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1h4b h LEU 31 Cb 0.56 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1h4b h LEU 31 CO 0.02 0.76 0.09 1.23 -0.34 0.00 0.00 178.44 180.20 1h4b h GLY 32 N 0.92 0.58 0.78 3.75 0.00 0.30 0.58 103.07 109.98 1h4b h GLY 32 Ca 0.23 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.25 1h4b h GLY 32 CO -0.03 0.33 0.45 0.83 0.00 0.00 0.00 176.54 178.13 1h4b h GLU 33 N 0.40 0.83 -0.15 4.80 5.08 -0.48 0.40 114.58 125.46 1h4b h GLU 33 Ca 0.11 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1h4b h GLU 33 Cb 0.28 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1h4b h GLU 33 CO -0.00 0.55 -0.80 0.00 -1.00 0.00 0.00 179.01 177.76 1h4b h ALA 34 N 1.34 0.30 -0.25 3.43 0.00 -0.91 -3.05 119.26 120.12 1h4b h ALA 34 Ca 0.31 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1h4b h ALA 34 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h4b h ALA 34 CO -0.15 0.68 0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1h4b h LEU 35 N 0.54 0.31 -1.47 0.00 3.38 0.98 -1.82 115.31 117.24 1h4b h LEU 35 Ca -0.06 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.06 1h4b h LEU 35 Cb 1.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1h4b h LEU 35 CO 0.16 0.31 0.79 0.11 0.09 0.00 0.00 178.44 179.90 1h4b h LYS 36 N 0.35 0.00 -0.12 1.13 1.57 -0.11 0.48 116.57 119.87 1h4b h LYS 36 Ca 0.09 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1h4b h LYS 36 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1h4b h LYS 36 CO -0.01 0.00 0.43 0.00 -0.57 0.00 0.00 179.45 179.30 1h4b h THR 37 N 0.00 0.09 0.00 -0.16 1.03 -1.50 0.62 112.91 112.99 1h4b h THR 37 Ca 0.28 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.62 1h4b h THR 37 Cb 1.86 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 1h4b h THR 37 CO -0.00 0.00 -0.32 -0.07 -0.01 0.00 0.00 175.52 175.12 1h4b h LEU 38 N 0.00 0.00 0.00 0.00 3.38 -0.27 -3.45 115.31 114.97 1h4b h LEU 38 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h4b h LEU 38 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1h4b h LEU 38 CO -0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1h4b n GLY 39 N -0.57 0.19 2.56 0.83 0.00 0.22 -4.80 105.19 103.62 1h4b n GLY 39 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.59 -1.40 -3.69 1.61 7.64 -1.26 -5.13 113.62 110.80 1h4b n SER 40 Ca 0.00 -3.47 -0.11 0.00 1.01 0.00 0.00 58.87 56.30 1h4b n SER 40 Cb 0.29 1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 64.59 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 -0.52 0.00 0.28 0.44 2.07 -1.26 -5.17 121.20 117.04 1h4b s ILE 41 Ca 0.28 -1.46 0.09 0.00 -1.41 0.00 0.00 60.65 58.14 1h4b s ILE 41 Cb 0.30 -2.41 -0.06 0.00 0.13 0.00 0.00 42.46 40.43 1h4b s ILE 41 CO -0.07 0.00 -0.11 0.42 -1.91 0.00 0.00 174.94 173.27 1h4b s THR 42 N -3.59 1.97 0.29 4.00 -4.23 -1.26 -5.03 115.64 107.80 1h4b s THR 42 Ca 0.25 -2.22 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1h4b s THR 42 Cb -0.01 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1h4b s THR 42 CO 0.13 -0.35 1.70 1.55 -0.54 0.00 0.00 174.62 177.10 1h4b h PRO 43 N 2.27 0.24 0.00 3.99 0.13 -2.00 -2.61 132.00 134.03 1h4b h PRO 43 Ca -0.40 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 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 0.66 0.62 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.52 1h4b h ASP 44 N 0.20 0.00 0.49 1.44 3.32 -1.99 -1.89 116.42 118.00 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 0.82 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.39 1h4b h ASP 44 CO 0.06 0.09 -1.33 -0.33 -1.72 0.00 0.00 179.24 176.01 1h4b h GLU 45 N 0.00 0.38 -0.29 3.56 4.39 -1.88 -2.83 114.58 117.91 1h4b h GLU 45 Ca -0.00 -0.64 -0.12 0.00 0.34 0.00 0.00 59.36 58.93 1h4b h GLU 45 Cb 0.48 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1h4b h GLU 45 CO 0.01 1.31 -0.33 0.28 -1.16 0.00 0.00 179.01 179.12 1h4b h VAL 46 N 0.10 1.29 -0.69 3.13 2.07 -1.39 -1.79 116.25 118.96 1h4b h VAL 46 Ca -0.18 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.80 1h4b h VAL 46 Cb 2.05 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 1h4b h VAL 46 CO 0.23 0.47 0.13 0.50 0.02 0.00 0.00 177.57 178.93 1h4b h LYS 47 N 0.53 1.13 -0.44 1.57 3.64 -1.39 -1.49 116.57 120.13 1h4b h LYS 47 Ca 0.06 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1h4b h LYS 47 Cb 0.83 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1h4b h LYS 47 CO 0.07 1.01 0.05 1.25 -2.27 0.00 0.00 179.45 179.56 1h4b h HIS 48 N 1.06 0.79 -0.68 1.91 2.76 -1.23 -1.21 115.15 118.55 1h4b h HIS 48 Ca 0.21 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1h4b h HIS 48 Cb 0.42 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1h4b h HIS 48 CO 0.03 0.77 0.44 0.52 -1.30 0.00 0.00 177.93 178.38 1h4b h MET 49 N 0.59 0.85 -0.25 5.26 2.86 -1.04 -1.56 114.93 121.64 1h4b h MET 49 Ca 0.13 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h4b h MET 49 Cb 0.42 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1h4b h MET 49 CO 0.01 0.56 0.14 0.52 1.06 0.00 0.00 176.91 179.20 1h4b h MET 50 N 0.87 0.35 -0.05 1.72 2.07 -0.99 0.82 114.93 119.72 1h4b h MET 50 Ca 0.26 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.87 1h4b h MET 50 Cb -0.04 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1h4b h MET 50 CO -0.08 0.31 0.11 0.00 1.07 0.00 0.00 176.91 178.32 1h4b h ALA 51 N 1.02 1.38 0.05 6.32 0.00 -0.63 1.98 119.26 129.38 1h4b h ALA 51 Ca 0.09 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 1h4b h ALA 51 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1h4b h ALA 51 CO -0.01 -0.14 -2.09 0.39 0.00 0.00 0.00 179.25 177.40 1h4b n GLU 52 N -3.40 0.69 0.05 0.00 1.02 -0.26 -4.23 120.64 114.51 1h4b n GLU 52 Ca -0.02 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1h4b n GLU 52 Cb 0.19 -1.66 -0.12 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 0.03 1.62 -1.77 -3.67 2.04 0.18 -3.43 117.51 112.52 1h4b h ILE 53 Ca -0.44 -3.35 -0.49 0.00 1.00 0.00 0.00 64.86 61.59 1h4b h ILE 53 Cb 2.03 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1h4b h ILE 53 CO 0.04 0.93 1.55 -0.62 0.00 0.00 0.00 178.15 180.04 1h4b s ASP 54 N -6.65 4.75 -0.01 1.72 2.15 0.66 -4.82 116.67 114.47 1h4b s ASP 54 Ca 0.00 1.01 -0.23 0.00 0.43 0.00 0.00 52.55 53.76 1h4b s ASP 54 Cb 0.10 -2.51 -0.19 0.00 -0.30 0.00 0.00 42.92 40.02 1h4b s ASP 54 CO 0.82 -2.65 1.22 0.71 -0.17 0.00 0.00 175.17 175.10 1h4b h THR 55 N 7.45 1.43 0.07 1.71 1.35 -1.86 -3.32 112.91 119.73 1h4b h THR 55 Ca -0.26 -1.45 -0.29 0.00 -0.55 0.00 0.00 66.41 63.85 1h4b h THR 55 Cb 1.24 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.89 1h4b h THR 55 CO 1.15 0.40 -1.55 -2.24 -0.25 0.00 0.00 175.52 173.03 1h4b h ASP 56 N -0.33 0.23 0.00 5.36 2.03 -1.92 -3.48 116.42 118.31 1h4b h ASP 56 Ca 0.00 -0.36 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1h4b h ASP 56 Cb 0.71 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1h4b h ASP 56 CO 0.03 1.31 0.00 0.61 -1.03 0.00 0.00 179.24 180.15 1h4b n GLY 57 N 1.62 1.56 0.02 7.15 0.00 -1.25 -4.97 105.19 109.33 1h4b n GLY 57 Ca -0.16 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.27 0.08 0.00 1.61 5.75 -1.26 -4.85 116.55 118.15 1h4b n ASP 58 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1h4b n ASP 58 Cb 0.05 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 1.13 0.45 3.16 6.12 0.00 -1.26 -5.05 105.19 109.73 1h4b n GLY 59 Ca 0.19 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 -2.16 0.94 -0.17 1.61 0.08 -1.26 -4.47 117.98 112.55 1h4b s PHE 60 Ca 0.00 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.28 1h4b s PHE 60 Cb 0.00 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.89 1h4b s PHE 60 CO 0.00 -0.06 0.01 0.42 -0.10 0.00 0.00 175.22 175.49 1h4b s ILE 61 N -2.68 4.26 0.48 0.64 -1.09 -0.58 -4.78 121.20 117.45 1h4b s ILE 61 Ca 0.05 -0.22 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 1h4b s ILE 61 Cb -0.01 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.99 1h4b s ILE 61 CO -0.02 0.47 0.67 -0.44 -1.23 0.00 0.00 174.94 174.40 1h4b s SER 62 N 0.48 5.49 0.22 3.58 0.01 -1.26 -1.38 113.70 120.83 1h4b s SER 62 Ca -0.00 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 1h4b s SER 62 Cb -0.14 -0.83 0.29 0.00 0.21 0.00 0.00 66.02 65.55 1h4b s SER 62 CO 0.02 -0.94 1.80 0.15 0.41 0.00 0.00 173.24 174.68 1h4b h PHE 63 N 0.35 0.68 -0.16 2.43 3.57 -1.97 0.27 116.94 122.10 1h4b h PHE 63 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1h4b h PHE 63 Cb 1.29 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1h4b h PHE 63 CO 0.39 0.29 0.10 0.37 -2.23 0.00 0.00 178.31 177.23 1h4b h GLN 64 N 0.66 0.21 -0.36 1.11 5.75 -1.93 0.32 115.11 120.88 1h4b h GLN 64 Ca 0.33 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1h4b h GLN 64 Cb 0.27 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1h4b h GLN 64 CO -0.22 0.16 0.23 0.93 -2.65 0.00 0.00 178.83 177.28 1h4b h GLU 65 N 0.21 0.46 -0.56 1.69 5.08 -1.65 0.24 114.58 120.04 1h4b h GLU 65 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1h4b h GLU 65 Cb -0.01 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1h4b h GLU 65 CO -0.01 0.31 0.23 0.35 -1.00 0.00 0.00 179.01 178.89 1h4b h PHE 66 N 0.48 0.81 -0.08 4.33 3.04 -0.14 -0.52 116.94 124.86 1h4b h PHE 66 Ca 0.13 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1h4b h PHE 66 Cb -0.05 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 1h4b h PHE 66 CO -0.05 0.62 -0.04 1.15 -2.02 0.00 0.00 178.31 177.97 1h4b h THR 67 N 0.80 1.33 -0.82 4.41 2.02 0.51 0.83 112.91 121.99 1h4b h THR 67 Ca 0.19 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.35 1h4b h THR 67 Cb 0.15 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 1h4b h THR 67 CO -0.02 0.30 0.54 0.44 0.37 0.00 0.00 175.52 177.15 1h4b h ASP 68 N -0.20 0.84 0.49 4.18 3.32 -0.21 -0.64 116.42 124.19 1h4b h ASP 68 Ca 0.02 -0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 1h4b h ASP 68 Cb 0.50 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1h4b h ASP 68 CO 0.01 0.56 -1.18 0.15 -1.72 0.00 0.00 179.24 177.06 1h4b h PHE 69 N 0.96 0.60 -0.48 4.55 3.04 -0.93 -3.17 116.94 121.51 1h4b h PHE 69 Ca 0.34 -0.40 0.04 0.00 3.98 0.00 0.00 57.97 61.93 1h4b h PHE 69 Cb 0.14 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 1h4b h PHE 69 CO -0.00 1.28 0.32 0.78 -2.02 0.00 0.00 178.31 178.67 1h4b h GLY 70 N 1.29 0.58 1.79 2.40 0.00 0.18 0.16 103.07 109.46 1h4b h GLY 70 Ca -0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1h4b h GLY 70 CO 0.20 0.17 -0.15 3.21 0.00 0.00 0.00 176.54 179.96 1h4b h ARG 71 N 0.50 0.26 -0.01 4.80 3.08 -1.13 0.74 114.38 122.63 1h4b h ARG 71 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1h4b h ARG 71 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1h4b h ARG 71 CO -0.05 0.42 -0.07 0.00 -1.07 0.00 0.00 179.97 179.20 1h4b n ALA 72 N -2.49 2.72 -2.69 0.04 0.00 0.44 -4.05 120.51 114.49 1h4b n ALA 72 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 1h4b n ALA 72 Cb 0.29 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.64 -0.47 -0.11 0.00 3.02 -0.17 -4.96 115.26 111.93 1h4b n ASN 73 Ca 0.17 -2.50 -0.07 0.00 -0.03 0.00 0.00 54.58 52.16 1h4b n ASN 73 Cb 0.27 0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.80 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 2.30 0.35 -0.03 3.52 3.08 0.28 0.21 114.38 124.08 1h4b h ARG 74 Ca -0.22 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1h4b h ARG 74 Cb 1.26 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1h4b h ARG 74 CO 0.13 0.23 0.15 0.78 -1.07 0.00 0.00 179.97 180.19 1h4b h GLY 75 N 0.36 0.00 0.78 0.04 0.00 -1.93 -0.65 103.07 101.67 1h4b h GLY 75 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.28 1h4b h GLY 75 CO -0.13 0.00 -0.92 1.41 0.00 0.00 0.00 176.54 176.91 1h4b h LEU 76 N 0.00 0.53 -1.49 3.11 4.07 -0.96 -3.09 115.31 117.48 1h4b h LEU 76 Ca 0.02 -0.95 -0.02 0.00 0.08 0.00 0.00 57.88 57.00 1h4b h LEU 76 Cb 0.31 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1h4b h LEU 76 CO -0.00 1.44 -0.11 -0.07 -1.08 0.00 0.00 178.44 178.62 1h4b h LEU 77 N -0.29 0.00 0.00 1.67 3.38 -0.51 -1.05 115.31 118.52 1h4b h LEU 77 Ca -0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1h4b h LEU 77 Cb 1.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1h4b h LEU 77 CO 0.17 0.11 -0.62 0.11 0.09 0.00 0.00 178.44 178.30 1h4b h LYS 78 N 0.00 0.00 0.13 1.13 1.57 -1.31 -2.44 116.57 115.65 1h4b h LYS 78 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1h4b h LYS 78 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1h4b h LYS 78 CO 0.01 0.62 -1.91 0.22 -0.57 0.00 0.00 179.45 177.82 1h4b h ASP 79 N 0.00 0.42 -0.34 0.86 3.58 -1.38 -3.34 116.42 116.22 1h4b h ASP 79 Ca -0.01 -0.93 -0.08 0.00 0.42 0.00 0.00 57.03 56.43 1h4b h ASP 79 Cb 1.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 1h4b h ASP 79 CO 0.08 1.83 -0.11 1.62 -2.88 0.00 0.00 179.24 179.78 1h4b h VAL 80 N 0.01 1.28 -0.98 2.25 3.04 -1.31 -2.89 116.25 117.65 1h4b h VAL 80 Ca -0.41 -1.19 0.21 0.00 -1.01 0.00 0.00 66.70 64.30 1h4b h VAL 80 Cb 2.00 1.34 -0.09 0.00 -2.01 0.00 0.00 31.29 32.53 1h4b h VAL 80 CO 0.08 0.39 0.62 0.00 -1.01 0.00 0.00 177.57 177.65 1h4b h ALA 81 N 0.80 1.96 0.00 3.17 0.00 -1.60 0.56 119.26 124.15 1h4b h ALA 81 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1h4b h ALA 81 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1h4b h ALA 81 CO 0.04 -0.31 -0.21 0.87 0.00 0.00 0.00 179.25 179.63 1h4b h LYS 82 N 0.57 0.00 -0.59 0.00 1.57 -1.63 -2.68 116.57 113.81 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 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1h4b h LYS 82 CO -0.30 0.21 0.37 0.82 -0.57 0.00 0.00 179.45 179.98 1h4b h ILE 83 N 0.00 1.17 -0.02 1.86 2.04 0.13 -3.52 117.51 119.17 1h4b h ILE 83 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1h4b h ILE 83 Cb 0.47 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1h4b h ILE 83 CO 0.03 0.17 0.00 0.49 0.00 0.00 0.00 178.15 178.84