#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 -4.21 0.00 3.32 -2.10 -3.41 116.42 110.02 1h4b h ASP 2 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1h4b h ASP 2 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1h4b h ASP 2 CO 0.00 0.00 0.34 1.51 -1.72 0.00 0.00 179.24 179.37 1h4b s ASP 3 N -5.48 5.59 0.49 6.45 1.47 -1.26 -5.09 116.67 118.84 1h4b s ASP 3 Ca -0.04 1.04 0.08 0.00 1.18 0.00 0.00 52.55 54.80 1h4b s ASP 3 Cb 0.16 -1.93 0.03 0.00 -0.34 0.00 0.00 42.92 40.84 1h4b s ASP 3 CO 0.58 -1.19 0.54 -1.00 0.68 0.00 0.00 175.17 174.78 1h4b s HIS 4 N -3.22 2.15 0.21 2.11 0.09 -1.26 -5.00 115.29 110.37 1h4b s HIS 4 Ca 0.56 -0.61 0.29 0.00 -0.00 0.00 0.00 55.06 55.30 1h4b s HIS 4 Cb -0.11 -2.18 1.24 0.00 -0.00 0.00 0.00 32.58 31.54 1h4b s HIS 4 CO 0.50 -0.55 1.95 -1.00 -0.00 0.00 0.00 174.74 175.65 1h4b h PRO 5 N 0.65 0.00 -0.63 8.40 0.13 -1.98 -2.91 132.00 135.66 1h4b h PRO 5 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1h4b h PRO 5 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1h4b h PRO 5 CO 0.50 0.12 0.28 1.96 -0.23 0.00 0.00 178.00 180.63 1h4b h GLN 6 N 0.00 0.91 0.36 0.86 4.20 -2.01 -2.92 115.11 116.50 1h4b h GLN 6 Ca -0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1h4b h GLN 6 Cb 0.55 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1h4b h GLN 6 CO 0.02 0.73 -0.30 -0.44 -0.67 0.00 0.00 178.83 178.17 1h4b h ASP 7 N 0.90 -0.78 -1.27 1.46 3.32 -1.92 -1.49 116.42 116.65 1h4b h ASP 7 Ca 0.22 0.06 0.41 0.00 0.02 0.00 0.00 57.03 57.73 1h4b h ASP 7 Cb 0.14 0.25 -0.12 0.00 0.22 0.00 0.00 39.33 39.82 1h4b h ASP 7 CO -0.02 -0.44 0.82 0.11 -1.72 0.00 0.00 179.24 177.99 1h4b h LYS 8 N -0.66 0.13 -0.39 3.56 1.57 -1.65 0.88 116.57 120.00 1h4b h LYS 8 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1h4b h LYS 8 Cb 0.58 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1h4b h LYS 8 CO -0.02 0.09 0.24 0.00 -0.57 0.00 0.00 179.45 179.18 1h4b h ALA 9 N 1.60 0.50 -0.16 3.86 0.00 -1.26 1.15 119.26 124.94 1h4b h ALA 9 Ca 0.78 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.49 1h4b h ALA 9 Cb 2.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1h4b h ALA 9 CO -0.39 -0.00 -0.51 0.93 0.00 0.00 0.00 179.25 179.28 1h4b h GLU 10 N 0.52 0.44 -0.21 0.00 5.08 0.75 -0.69 114.58 120.46 1h4b h GLU 10 Ca 0.14 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 1h4b h GLU 10 Cb 0.00 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h4b h GLU 10 CO -0.03 0.85 -0.62 0.00 -1.00 0.00 0.00 179.01 178.22 1h4b h ARG 11 N 0.35 0.79 -0.37 2.33 3.08 -0.31 -1.53 114.38 118.73 1h4b h ARG 11 Ca 0.01 -0.57 -0.14 0.00 0.07 0.00 0.00 59.98 59.36 1h4b h ARG 11 Cb 1.01 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1h4b h ARG 11 CO 0.09 1.19 -0.32 1.05 -1.07 0.00 0.00 179.97 180.91 1h4b h GLU 12 N 0.54 0.82 -0.47 0.04 4.11 0.14 0.15 114.58 119.91 1h4b h GLU 12 Ca -0.02 -0.39 -0.09 0.00 0.07 0.00 0.00 59.36 58.94 1h4b h GLU 12 Cb 1.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1h4b h GLU 12 CO 0.13 1.02 -0.05 0.00 0.07 0.00 0.00 179.01 180.18 1h4b h ARG 13 N 0.69 0.87 -0.15 1.06 3.08 -1.09 0.41 114.38 119.25 1h4b h ARG 13 Ca 0.07 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 1h4b h ARG 13 Cb 0.87 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1h4b h ARG 13 CO 0.08 0.94 -0.16 0.82 -1.07 0.00 0.00 179.97 180.57 1h4b h ILE 14 N 0.72 1.35 -0.37 2.04 2.04 -1.14 -2.17 117.51 119.97 1h4b h ILE 14 Ca 0.13 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 1h4b h ILE 14 Cb 0.58 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1h4b h ILE 14 CO 0.03 0.39 -0.02 0.15 0.00 0.00 0.00 178.15 178.70 1h4b h PHE 15 N 0.00 0.62 -0.11 1.37 3.04 -0.61 -1.92 116.94 119.34 1h4b h PHE 15 Ca 0.02 -0.08 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1h4b h PHE 15 Cb 0.70 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1h4b h PHE 15 CO 0.09 0.62 -0.23 0.87 -2.02 0.00 0.00 178.31 177.63 1h4b h LYS 16 N 0.56 0.19 -0.20 1.11 1.57 -0.05 -2.16 116.57 117.59 1h4b h LYS 16 Ca 0.11 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1h4b h LYS 16 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1h4b h LYS 16 CO 0.02 0.42 -0.50 0.00 -0.57 0.00 0.00 179.45 178.81 1h4b h ARG 17 N 0.18 0.56 -0.17 3.15 3.08 -0.69 -3.16 114.38 117.32 1h4b h ARG 17 Ca 0.03 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1h4b h ARG 17 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1h4b h ARG 17 CO 0.04 0.93 0.00 0.74 -1.07 0.00 0.00 179.97 180.61 1h4b h PHE 18 N 0.44 0.32 -1.72 3.04 0.04 -1.02 -3.40 116.94 114.65 1h4b h PHE 18 Ca 0.02 -0.05 -0.51 0.00 2.80 0.00 0.00 57.97 60.23 1h4b h PHE 18 Cb 1.03 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 39.10 1h4b h PHE 18 CO 0.04 0.50 1.59 -3.47 -0.60 0.00 0.00 178.31 176.37 1h4b n ASP 19 N -4.74 2.62 0.06 2.17 2.03 -0.86 -4.49 116.55 113.34 1h4b n ASP 19 Ca -0.05 -0.27 -0.13 0.00 0.52 0.00 0.00 54.79 54.86 1h4b n ASP 19 Cb 0.21 -1.57 -0.09 0.00 -0.72 0.00 0.00 41.12 38.95 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 18.06 -0.15 0.00 -1.67 0.00 -1.84 -3.29 119.26 130.38 1h4b h ALA 20 Ca -0.30 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1h4b h ALA 20 Cb 1.26 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1h4b h ALA 20 CO 1.09 -0.42 -1.33 -2.95 0.00 0.00 0.00 179.25 175.65 1h4b h ASN 21 N -0.49 0.00 -0.43 0.00 -1.07 -1.92 -3.48 115.58 108.19 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 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1h4b h ASN 21 CO 0.03 0.84 0.00 0.61 0.07 0.00 0.00 177.43 178.97 1h4b n GLY 22 N 1.43 1.00 0.90 9.14 0.00 -1.24 -4.97 105.19 111.45 1h4b n GLY 22 Ca -0.09 -0.33 0.11 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 0.73 2.68 0.00 1.61 5.75 -1.26 -4.90 116.55 121.16 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 0.24 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.34 1.03 3.13 6.12 0.00 -1.26 -5.03 105.19 110.52 1h4b n GLY 24 Ca 0.18 0.00 -0.23 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 -0.63 1.17 -0.11 1.61 -2.85 -1.26 -3.90 119.74 113.77 1h4b s LYS 25 Ca 0.00 -0.60 -0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1h4b s LYS 25 Cb 0.00 -1.15 -0.02 0.00 -2.06 0.00 0.00 37.83 34.60 1h4b s LYS 25 CO 0.00 0.31 -0.11 0.42 0.10 0.00 0.00 175.35 176.07 1h4b s ILE 26 N -0.47 3.31 0.35 3.79 1.01 -0.42 -4.82 121.20 123.95 1h4b s ILE 26 Ca 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.19 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 0.39 -0.94 0.00 0.00 0.00 174.94 174.93 1h4b s SER 27 N -0.01 5.53 0.25 3.58 1.04 -1.26 -1.55 113.70 121.28 1h4b s SER 27 Ca -0.02 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1h4b s SER 27 Cb -0.14 -0.98 0.51 0.00 0.10 0.00 0.00 66.02 65.51 1h4b s SER 27 CO 0.04 -0.45 1.71 0.00 0.98 0.00 0.00 173.24 175.51 1h4b h ALA 28 N 1.04 1.11 -0.97 5.32 0.00 -1.94 0.63 119.26 124.45 1h4b h ALA 28 Ca -0.44 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1h4b h ALA 28 Cb 1.26 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1h4b h ALA 28 CO 0.55 -0.27 0.64 0.00 0.00 0.00 0.00 179.25 180.17 1h4b h ALA 29 N 1.60 1.36 0.14 0.00 0.00 -1.96 1.94 119.26 122.34 1h4b h ALA 29 Ca 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1h4b h ALA 29 Cb 0.73 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h4b h ALA 29 CO -0.46 0.56 -0.07 0.93 0.00 0.00 0.00 179.25 180.21 1h4b h GLU 30 N 1.24 -0.18 -0.57 0.00 5.08 -0.62 0.44 114.58 119.98 1h4b h GLU 30 Ca 0.38 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1h4b h GLU 30 Cb -0.03 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1h4b h GLU 30 CO -0.11 0.26 0.29 1.25 -1.00 0.00 0.00 179.01 179.70 1h4b h LEU 31 N -0.90 0.72 -0.53 1.33 5.85 0.18 -1.67 115.31 120.30 1h4b h LEU 31 Ca -0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1h4b h LEU 31 Cb 0.52 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1h4b h LEU 31 CO 0.03 0.62 0.25 1.23 -0.34 0.00 0.00 178.44 180.23 1h4b h GLY 32 N 0.76 0.82 0.65 3.75 0.00 0.30 0.44 103.07 109.80 1h4b h GLY 32 Ca 0.20 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1h4b h GLY 32 CO -0.03 0.39 0.37 0.83 0.00 0.00 0.00 176.54 178.10 1h4b h GLU 33 N 0.71 0.66 -0.19 4.80 5.08 -0.43 0.25 114.58 125.46 1h4b h GLU 33 Ca 0.18 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1h4b h GLU 33 Cb 0.13 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1h4b h GLU 33 CO -0.02 0.44 -0.70 0.00 -1.00 0.00 0.00 179.01 177.72 1h4b h ALA 34 N 1.36 0.39 -0.29 3.43 0.00 -0.89 -2.97 119.26 120.29 1h4b h ALA 34 Ca 0.31 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1h4b h ALA 34 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h4b h ALA 34 CO -0.19 0.69 0.19 -0.07 0.00 0.00 0.00 179.25 179.87 1h4b h LEU 35 N 0.56 0.30 -1.43 0.00 3.38 0.93 -1.38 115.31 117.66 1h4b h LEU 35 Ca -0.03 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.11 1h4b h LEU 35 Cb 1.32 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1h4b h LEU 35 CO 0.14 0.21 0.80 0.11 0.09 0.00 0.00 178.44 179.80 1h4b h LYS 36 N 0.35 0.00 -0.27 1.13 1.57 -0.37 0.59 116.57 119.57 1h4b h LYS 36 Ca 0.11 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1h4b h LYS 36 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1h4b h LYS 36 CO -0.02 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.27 1h4b h THR 37 N 0.00 0.24 -0.15 -0.16 1.03 -1.43 0.42 112.91 112.87 1h4b h THR 37 Ca 0.28 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.65 1h4b h THR 37 Cb 1.88 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 1h4b h THR 37 CO -0.00 0.00 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.39 1h4b h LEU 38 N 0.00 0.20 0.00 0.00 3.38 -0.05 -3.45 115.31 115.39 1h4b h LEU 38 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1h4b h LEU 38 Cb 0.95 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1h4b h LEU 38 CO -0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1h4b n GLY 39 N -1.11 0.29 2.64 0.83 0.00 0.15 -4.78 105.19 103.22 1h4b n GLY 39 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.37 -1.36 -4.07 1.61 7.64 -1.26 -5.13 113.62 110.67 1h4b n SER 40 Ca 0.00 -3.05 -0.13 0.00 1.01 0.00 0.00 58.87 56.70 1h4b n SER 40 Cb 0.19 1.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.00 0.29 0.44 2.07 -1.26 -5.17 121.20 117.08 1h4b s ILE 41 Ca 0.25 -1.97 0.07 0.00 -1.41 0.00 0.00 60.65 57.58 1h4b s ILE 41 Cb 0.36 -2.49 -0.06 0.00 0.13 0.00 0.00 42.46 40.40 1h4b s ILE 41 CO -0.06 0.00 -0.05 0.42 -1.91 0.00 0.00 174.94 173.34 1h4b s THR 42 N -4.05 1.64 0.28 4.00 -4.23 -1.26 -5.03 115.64 106.99 1h4b s THR 42 Ca 0.39 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1h4b s THR 42 Cb 0.06 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1h4b s THR 42 CO 0.14 -0.27 1.68 1.55 -0.54 0.00 0.00 174.62 177.18 1h4b h PRO 43 N 2.25 0.34 0.00 3.99 0.13 -1.99 -2.68 132.00 134.04 1h4b h PRO 43 Ca -0.40 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1h4b h PRO 43 Cb 1.24 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 43 CO 0.68 0.68 -0.13 -0.44 -0.23 0.00 0.00 178.00 178.56 1h4b h ASP 44 N 0.29 0.00 0.32 1.44 3.32 -1.99 -0.42 116.42 119.37 1h4b h ASP 44 Ca 0.03 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.75 1h4b h ASP 44 Cb 0.81 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.38 1h4b h ASP 44 CO 0.06 0.13 -1.56 -0.33 -1.72 0.00 0.00 179.24 175.83 1h4b h GLU 45 N 0.00 0.41 -0.39 3.56 5.08 -1.90 -2.92 114.58 118.43 1h4b h GLU 45 Ca -0.00 -0.70 -0.08 0.00 -1.00 0.00 0.00 59.36 57.57 1h4b h GLU 45 Cb 0.35 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1h4b h GLU 45 CO 0.02 1.32 -0.08 0.28 -1.00 0.00 0.00 179.01 179.54 1h4b h VAL 46 N 0.11 1.24 -0.56 3.13 2.07 -1.24 -1.24 116.25 119.76 1h4b h VAL 46 Ca -0.27 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 1h4b h VAL 46 Cb 2.10 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1h4b h VAL 46 CO 0.22 0.36 -0.03 0.11 0.02 0.00 0.00 177.57 178.25 1h4b h LYS 47 N 0.62 0.99 -0.50 1.57 1.57 -1.15 -1.79 116.57 117.89 1h4b h LYS 47 Ca 0.11 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1h4b h LYS 47 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1h4b h LYS 47 CO 0.03 0.99 -0.07 1.25 -0.57 0.00 0.00 179.45 181.09 1h4b h HIS 48 N 0.90 1.03 -0.51 -1.35 2.76 -1.24 -1.18 115.15 115.56 1h4b h HIS 48 Ca 0.16 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1h4b h HIS 48 Cb 0.57 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1h4b h HIS 48 CO 0.04 0.98 0.33 0.52 -1.30 0.00 0.00 177.93 178.50 1h4b h MET 49 N 0.79 0.67 -0.25 5.26 2.86 -0.98 -1.10 114.93 122.18 1h4b h MET 49 Ca 0.13 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1h4b h MET 49 Cb 0.61 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1h4b h MET 49 CO 0.04 0.45 0.13 0.52 1.06 0.00 0.00 176.91 179.11 1h4b h MET 50 N 0.69 0.35 0.00 1.72 2.07 -1.12 0.86 114.93 119.50 1h4b h MET 50 Ca 0.19 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1h4b h MET 50 Cb -0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1h4b h MET 50 CO -0.04 0.34 0.00 0.00 1.07 0.00 0.00 176.91 178.28 1h4b h ALA 51 N 1.00 1.00 0.04 6.32 0.00 -0.78 1.54 119.26 128.38 1h4b h ALA 51 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.63 1h4b h ALA 51 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1h4b h ALA 51 CO -0.01 0.00 -2.22 0.39 0.00 0.00 0.00 179.25 177.41 1h4b n GLU 52 N -2.94 0.69 0.07 0.00 1.02 -0.26 -4.33 120.64 114.88 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 0.07 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.75 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 1.51 -1.65 -3.67 2.04 0.16 -3.43 117.51 112.49 1h4b h ILE 53 Ca -0.49 -3.17 -0.47 0.00 1.00 0.00 0.00 64.86 61.73 1h4b h ILE 53 Cb 2.02 2.84 0.01 0.00 -0.74 0.00 0.00 36.82 40.95 1h4b h ILE 53 CO 0.01 0.89 1.61 -0.62 0.00 0.00 0.00 178.15 180.04 1h4b s ASP 54 N -6.85 4.52 0.06 1.72 -1.08 0.52 -4.81 116.67 110.76 1h4b s ASP 54 Ca -0.02 1.08 -0.20 0.00 -0.52 0.00 0.00 52.55 52.88 1h4b s ASP 54 Cb 0.08 -2.50 -0.11 0.00 -1.46 0.00 0.00 42.92 38.93 1h4b s ASP 54 CO 0.85 -2.82 1.47 0.71 0.52 0.00 0.00 175.17 175.90 1h4b h THR 55 N 7.63 1.27 0.14 1.71 1.35 -1.86 -3.31 112.91 119.84 1h4b h THR 55 Ca -0.25 -0.93 -0.35 0.00 -0.55 0.00 0.00 66.41 64.33 1h4b h THR 55 Cb 1.26 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1h4b h THR 55 CO 1.15 0.28 -1.81 -2.24 -0.25 0.00 0.00 175.52 172.65 1h4b h ASP 56 N 0.06 0.48 0.00 5.36 2.03 -1.92 -3.49 116.42 118.94 1h4b h ASP 56 Ca 0.05 -0.92 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 1h4b h ASP 56 Cb 0.43 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1h4b h ASP 56 CO 0.01 1.80 0.00 0.61 -1.03 0.00 0.00 179.24 180.63 1h4b n GLY 57 N 1.90 1.92 0.00 7.15 0.00 -1.25 -4.98 105.19 109.93 1h4b n GLY 57 Ca -0.28 0.00 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 0.00 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.81 1h4b n ASP 58 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1h4b n ASP 58 Cb 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.12 0.32 3.13 6.12 0.00 -1.26 -5.06 105.19 109.56 1h4b n GLY 59 Ca 0.19 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 -2.02 0.80 -0.15 1.61 0.08 -1.26 -4.37 117.98 112.67 1h4b s PHE 60 Ca 0.00 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.26 1h4b s PHE 60 Cb 0.00 -0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 41.95 1h4b s PHE 60 CO 0.00 -0.13 -0.03 0.42 -0.10 0.00 0.00 175.22 175.38 1h4b s ILE 61 N -2.75 3.93 0.39 0.64 -1.09 -0.60 -4.78 121.20 116.94 1h4b s ILE 61 Ca 0.03 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1h4b s ILE 61 Cb -0.01 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1h4b s ILE 61 CO -0.03 0.50 0.54 -0.44 -1.23 0.00 0.00 174.94 174.29 1h4b s SER 62 N 0.23 5.77 0.23 3.58 0.01 -1.26 -1.31 113.70 120.96 1h4b s SER 62 Ca -0.02 -0.30 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 1h4b s SER 62 Cb -0.14 -0.91 0.34 0.00 0.21 0.00 0.00 66.02 65.52 1h4b s SER 62 CO 0.03 -0.65 1.79 0.15 0.41 0.00 0.00 173.24 174.97 1h4b h PHE 63 N 0.71 0.67 -0.03 2.43 3.57 -1.96 0.31 116.94 122.64 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 1.27 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1h4b h PHE 63 CO 0.41 0.25 0.01 0.37 -2.23 0.00 0.00 178.31 177.13 1h4b h GLN 64 N 0.64 0.03 -0.32 1.11 5.75 -1.94 0.52 115.11 120.90 1h4b h GLN 64 Ca 0.35 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.87 1h4b h GLN 64 Cb 0.36 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1h4b h GLN 64 CO -0.26 0.02 0.17 0.93 -2.65 0.00 0.00 178.83 177.04 1h4b h GLU 65 N 0.03 0.34 -0.26 1.69 5.08 -1.62 0.31 114.58 120.14 1h4b h GLU 65 Ca 0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1h4b h GLU 65 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h4b h GLU 65 CO -0.01 0.22 0.00 0.35 -1.00 0.00 0.00 179.01 178.58 1h4b h PHE 66 N 0.35 0.39 -0.05 4.33 3.04 -0.05 -1.51 116.94 123.45 1h4b h PHE 66 Ca 0.13 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1h4b h PHE 66 Cb 0.03 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1h4b h PHE 66 CO -0.09 0.40 -0.01 1.15 -2.02 0.00 0.00 178.31 177.74 1h4b h THR 67 N 0.38 1.29 -0.72 4.41 2.02 0.13 1.23 112.91 121.64 1h4b h THR 67 Ca 0.09 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1h4b h THR 67 Cb 0.25 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1h4b h THR 67 CO 0.01 0.24 0.48 0.44 0.37 0.00 0.00 175.52 177.05 1h4b h ASP 68 N -0.26 0.78 0.39 4.18 3.32 -0.65 -0.11 116.42 124.08 1h4b h ASP 68 Ca 0.01 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1h4b h ASP 68 Cb 0.39 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.77 1h4b h ASP 68 CO 0.00 0.55 -1.33 0.15 -1.72 0.00 0.00 179.24 176.89 1h4b h PHE 69 N 0.92 0.78 -0.25 4.55 3.04 -1.08 -3.20 116.94 121.70 1h4b h PHE 69 Ca 0.28 -0.55 -0.00 0.00 3.98 0.00 0.00 57.97 61.68 1h4b h PHE 69 Cb -0.01 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1h4b h PHE 69 CO -0.00 1.42 0.14 0.78 -2.02 0.00 0.00 178.31 178.63 1h4b h GLY 70 N 0.79 0.35 1.37 2.40 0.00 0.23 -0.90 103.07 107.31 1h4b h GLY 70 Ca -0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1h4b h GLY 70 CO 0.24 0.13 -0.09 3.21 0.00 0.00 0.00 176.54 180.03 1h4b h ARG 71 N 0.34 0.75 0.00 4.80 3.08 -1.04 0.60 114.38 122.91 1h4b h ARG 71 Ca 0.09 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1h4b h ARG 71 Cb -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1h4b h ARG 71 CO -0.02 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 1h4b h ALA 72 N 1.21 1.00 -1.08 0.04 0.00 -1.18 -3.23 119.26 116.01 1h4b h ALA 72 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 1h4b h ALA 72 Cb 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.02 1h4b h ALA 72 CO 0.03 0.00 -0.97 0.09 0.00 0.00 0.00 179.25 178.41 1h4b n ASN 73 N -3.03 0.17 -0.30 0.00 3.02 -0.57 -4.93 115.26 109.62 1h4b n ASN 73 Ca -0.01 -2.94 0.23 0.00 -0.03 0.00 0.00 54.58 51.83 1h4b n ASN 73 Cb 0.21 0.03 0.53 0.00 -0.61 0.00 0.00 39.78 39.93 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 2.86 0.35 0.00 3.52 0.11 0.14 1.22 114.38 122.58 1h4b h ARG 74 Ca -0.05 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 1h4b h ARG 74 Cb 1.11 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 1h4b h ARG 74 CO 0.36 0.23 -0.22 0.78 0.10 0.00 0.00 179.97 181.23 1h4b h GLY 75 N 0.36 0.00 0.76 0.08 0.00 -1.92 -2.48 103.07 99.88 1h4b h GLY 75 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 1h4b h GLY 75 CO -0.23 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.66 1h4b h LEU 76 N 0.00 0.33 -0.60 3.11 3.38 0.12 -1.97 115.31 119.67 1h4b h LEU 76 Ca -0.00 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1h4b h LEU 76 Cb 0.46 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1h4b h LEU 76 CO 0.03 0.64 0.26 -0.07 0.09 0.00 0.00 178.44 179.39 1h4b h LEU 77 N 0.01 0.81 -1.64 1.67 -0.00 -1.32 -0.58 115.31 114.26 1h4b h LEU 77 Ca 0.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1h4b h LEU 77 Cb 0.51 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1h4b h LEU 77 CO 0.02 0.74 0.01 0.11 -0.00 0.00 0.00 178.44 179.32 1h4b h LYS 78 N 0.83 0.23 0.01 1.13 1.57 -1.39 0.26 116.57 119.21 1h4b h LYS 78 Ca 0.20 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.70 1h4b h LYS 78 Cb 0.17 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1h4b h LYS 78 CO -0.02 0.25 -1.01 0.22 -0.57 0.00 0.00 179.45 178.32 1h4b h ASP 79 N 0.23 0.72 -0.09 0.86 3.58 -0.59 -3.23 116.42 117.90 1h4b h ASP 79 Ca 0.06 -0.58 -0.22 0.00 0.42 0.00 0.00 57.03 56.71 1h4b h ASP 79 Cb 0.15 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 40.98 1h4b h ASP 79 CO 0.00 1.38 -0.76 0.58 -2.88 0.00 0.00 179.24 177.57 1h4b h VAL 80 N 0.31 1.29 -0.77 2.25 2.07 -0.46 -3.19 116.25 117.75 1h4b h VAL 80 Ca -0.11 -1.98 0.15 0.00 0.82 0.00 0.00 66.70 65.58 1h4b h VAL 80 Cb 1.65 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 33.30 1h4b h VAL 80 CO 0.19 0.63 0.30 0.00 0.02 0.00 0.00 177.57 178.70 1h4b h ALA 81 N 0.63 1.10 0.00 1.67 0.00 -0.55 0.48 119.26 122.59 1h4b h ALA 81 Ca -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1h4b h ALA 81 Cb 1.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1h4b h ALA 81 CO 0.15 -0.23 -0.19 0.87 0.00 0.00 0.00 179.25 179.85 1h4b h LYS 82 N 0.43 0.00 -0.12 0.00 1.57 -1.57 -2.82 116.57 114.05 1h4b h LYS 82 Ca 0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1h4b h LYS 82 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1h4b h LYS 82 CO -0.43 0.19 0.02 0.82 -0.57 0.00 0.00 179.45 179.47 1h4b h ILE 83 N 0.00 1.22 -0.00 1.86 2.04 -0.06 -3.52 117.51 119.05 1h4b h ILE 83 Ca -0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1h4b h ILE 83 Cb 0.43 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1h4b h ILE 83 CO 0.02 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.87