#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4b s ASP 2 N 0.00 6.06 -0.41 0.00 2.15 -1.26 -5.03 116.67 118.19 1h4b s ASP 2 Ca 0.00 -3.21 -0.18 0.00 0.43 0.00 0.00 52.55 49.59 1h4b s ASP 2 Cb 0.00 -1.99 0.02 0.00 -0.30 0.00 0.00 42.92 40.65 1h4b s ASP 2 CO 0.00 -0.34 0.49 -0.62 -0.17 0.00 0.00 175.17 174.54 1h4b s ASP 3 N 0.78 6.24 0.44 -0.34 2.15 -1.26 -5.04 116.67 119.64 1h4b s ASP 3 Ca 0.22 -0.47 0.06 0.00 0.43 0.00 0.00 52.55 52.79 1h4b s ASP 3 Cb -0.12 -2.25 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 1h4b s ASP 3 CO -0.08 -0.60 0.05 -1.38 -0.17 0.00 0.00 175.17 173.00 1h4b s HIS 4 N 2.33 2.34 0.22 -5.34 0.00 -1.26 -5.02 115.29 108.56 1h4b s HIS 4 Ca 0.16 -0.73 0.29 0.00 -3.00 0.00 0.00 55.06 51.78 1h4b s HIS 4 Cb -0.16 -1.78 1.29 0.00 -4.00 0.00 0.00 32.58 27.93 1h4b s HIS 4 CO 0.15 0.31 1.97 -1.00 -1.00 0.00 0.00 174.74 175.17 1h4b h PRO 5 N 1.56 0.00 -0.64 -0.38 0.13 -2.01 -2.86 132.00 127.80 1h4b h PRO 5 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1h4b h PRO 5 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 5 CO 0.76 0.11 0.20 1.96 -0.23 0.00 0.00 178.00 180.81 1h4b h GLN 6 N 0.00 0.98 -0.60 0.86 4.20 -2.00 -2.55 115.11 116.00 1h4b h GLN 6 Ca -0.00 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1h4b h GLN 6 Cb 0.53 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1h4b h GLN 6 CO 0.01 0.84 0.19 -0.44 -0.67 0.00 0.00 178.83 178.76 1h4b h ASP 7 N 0.94 0.87 -0.91 1.46 3.32 -1.91 -2.25 116.42 117.95 1h4b h ASP 7 Ca 0.21 -0.21 0.18 0.00 0.02 0.00 0.00 57.03 57.23 1h4b h ASP 7 Cb 0.27 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 1h4b h ASP 7 CO -0.01 0.85 0.59 0.11 -1.72 0.00 0.00 179.24 179.05 1h4b h LYS 8 N 0.85 0.55 -0.52 3.56 1.57 -1.53 0.17 116.57 121.22 1h4b h LYS 8 Ca 0.19 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1h4b h LYS 8 Cb 0.28 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1h4b h LYS 8 CO -0.01 0.36 0.31 0.00 -0.57 0.00 0.00 179.45 179.55 1h4b h ALA 9 N 1.61 0.67 -0.35 3.86 0.00 -1.29 1.50 119.26 125.25 1h4b h ALA 9 Ca 0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 9 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1h4b h ALA 9 CO -0.21 0.02 -0.08 0.93 0.00 0.00 0.00 179.25 179.90 1h4b h GLU 10 N 0.62 0.68 -0.58 0.00 5.08 -0.76 0.14 114.58 119.76 1h4b h GLU 10 Ca 0.21 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1h4b h GLU 10 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1h4b h GLU 10 CO -0.10 0.84 -0.02 0.00 -1.00 0.00 0.00 179.01 178.73 1h4b h ARG 11 N 0.47 1.02 -0.51 2.33 3.08 -0.33 0.10 114.38 120.54 1h4b h ARG 11 Ca 0.09 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1h4b h ARG 11 Cb 0.59 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1h4b h ARG 11 CO 0.03 1.01 -0.07 0.93 -1.07 0.00 0.00 179.97 180.80 1h4b h GLU 12 N 0.93 0.95 -0.47 0.04 5.08 0.23 0.48 114.58 121.82 1h4b h GLU 12 Ca 0.16 -0.34 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1h4b h GLU 12 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1h4b h GLU 12 CO 0.03 1.00 -0.24 0.00 -1.00 0.00 0.00 179.01 178.81 1h4b h ARG 13 N 0.81 0.98 -0.17 2.33 3.08 -0.75 0.26 114.38 120.93 1h4b h ARG 13 Ca 0.13 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1h4b h ARG 13 Cb 0.62 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1h4b h ARG 13 CO 0.04 1.11 -0.26 0.82 -1.07 0.00 0.00 179.97 180.61 1h4b h ILE 14 N 0.83 1.35 -0.41 2.04 2.04 -0.79 -1.99 117.51 120.57 1h4b h ILE 14 Ca 0.10 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1h4b h ILE 14 Cb 0.82 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1h4b h ILE 14 CO 0.07 0.44 -0.05 0.15 0.00 0.00 0.00 178.15 178.77 1h4b h PHE 15 N 0.12 0.75 0.00 1.37 3.57 0.03 -1.85 116.94 120.93 1h4b h PHE 15 Ca 0.02 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 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 0.73 -0.29 0.87 -2.23 0.00 0.00 178.31 177.48 1h4b h LYS 16 N 0.65 0.00 -0.32 1.11 1.79 -0.37 -1.59 116.57 117.84 1h4b h LYS 16 Ca 0.12 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 1h4b h LYS 16 Cb 0.48 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1h4b h LYS 16 CO 0.02 0.29 -0.46 0.00 -1.08 0.00 0.00 179.45 178.22 1h4b h ARG 17 N 0.00 0.84 -0.07 3.15 3.08 -0.56 -3.21 114.38 117.61 1h4b h ARG 17 Ca -0.00 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1h4b h ARG 17 Cb 0.52 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1h4b h ARG 17 CO 0.04 1.12 -0.04 0.74 -1.07 0.00 0.00 179.97 180.76 1h4b h PHE 18 N 0.67 0.17 -1.51 3.04 0.04 -1.04 -3.40 116.94 114.91 1h4b h PHE 18 Ca 0.04 -0.04 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1h4b h PHE 18 Cb 1.05 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 1h4b h PHE 18 CO 0.06 0.53 1.59 -3.47 -0.60 0.00 0.00 178.31 176.42 1h4b n ASP 19 N -4.77 2.36 0.10 2.17 -0.08 -0.64 -4.49 116.55 111.20 1h4b n ASP 19 Ca -0.07 -0.19 -0.13 0.00 -1.51 0.00 0.00 54.79 52.89 1h4b n ASP 19 Cb 0.26 -1.49 -0.08 0.00 2.34 0.00 0.00 41.12 42.14 1h4b n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h4b h ALA 20 N 17.18 -0.24 0.00 -1.67 0.00 -1.83 -3.24 119.26 129.46 1h4b h ALA 20 Ca -0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1h4b h ALA 20 Cb 1.27 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1h4b h ALA 20 CO 1.12 -0.51 -1.03 -2.95 0.00 0.00 0.00 179.25 175.87 1h4b h ASN 21 N -0.48 0.00 -0.91 0.00 -1.07 -1.91 -3.48 115.58 107.73 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 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1h4b h ASN 21 CO 0.04 0.20 0.00 0.61 0.07 0.00 0.00 177.43 178.35 1h4b n GLY 22 N 1.24 0.94 0.80 9.14 0.00 -1.23 -4.95 105.19 111.13 1h4b n GLY 22 Ca -0.02 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 1.20 2.41 0.00 1.61 5.75 -1.26 -4.90 116.55 121.36 1h4b n ASP 23 Ca 0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1h4b n ASP 23 Cb 0.43 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.29 0.47 3.10 6.12 0.00 -1.26 -5.04 105.19 109.86 1h4b n GLY 24 Ca 0.17 0.00 -0.20 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 -0.84 0.93 -0.10 1.61 -2.85 -1.26 -3.78 119.74 113.45 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 -0.91 -0.02 0.00 -2.06 0.00 0.00 37.83 34.84 1h4b s LYS 25 CO 0.00 0.24 -0.11 0.42 0.10 0.00 0.00 175.35 176.00 1h4b s ILE 26 N -0.55 3.27 0.40 3.79 1.01 -0.58 -4.80 121.20 123.75 1h4b s ILE 26 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1h4b s ILE 26 Cb -0.06 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 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 5.00 0.22 3.58 1.04 -1.26 -1.51 113.70 120.66 1h4b s SER 27 Ca -0.01 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 1h4b s SER 27 Cb -0.14 -0.63 0.32 0.00 0.10 0.00 0.00 66.02 65.67 1h4b s SER 27 CO 0.03 -0.58 1.69 0.00 0.98 0.00 0.00 173.24 175.36 1h4b h ALA 28 N 1.13 0.70 -0.75 5.32 0.00 -1.92 0.58 119.26 124.33 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 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1h4b h ALA 28 CO 0.59 -0.35 0.49 0.00 0.00 0.00 0.00 179.25 179.99 1h4b h ALA 29 N 1.53 1.73 0.03 0.00 0.00 -1.96 1.74 119.26 122.33 1h4b h ALA 29 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h4b h ALA 29 Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1h4b h ALA 29 CO -0.46 0.13 -0.01 0.93 0.00 0.00 0.00 179.25 179.84 1h4b h GLU 30 N 0.74 -0.04 -0.77 0.00 5.08 -0.70 -1.43 114.58 117.46 1h4b h GLU 30 Ca 0.34 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1h4b h GLU 30 Cb 0.34 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1h4b h GLU 30 CO -0.12 0.57 0.31 1.25 -1.00 0.00 0.00 179.01 180.02 1h4b h LEU 31 N -0.96 1.06 -0.37 1.33 5.85 0.17 -1.61 115.31 120.79 1h4b h LEU 31 Ca -0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1h4b h LEU 31 Cb 0.63 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1h4b h LEU 31 CO 0.01 0.95 0.11 1.23 -0.34 0.00 0.00 178.44 180.39 1h4b h GLY 32 N 1.12 0.61 0.87 3.75 0.00 0.25 0.69 103.07 110.37 1h4b h GLY 32 Ca 0.26 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1h4b h GLY 32 CO -0.02 0.34 0.46 0.83 0.00 0.00 0.00 176.54 178.15 1h4b h GLU 33 N 0.44 0.88 -0.08 4.80 5.08 -0.89 0.42 114.58 125.23 1h4b h GLU 33 Ca 0.12 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 1h4b h GLU 33 Cb 0.26 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1h4b h GLU 33 CO -0.00 0.58 -0.84 0.00 -1.00 0.00 0.00 179.01 177.75 1h4b h ALA 34 N 1.31 0.21 -0.30 3.43 0.00 -1.04 -3.08 119.26 119.79 1h4b h ALA 34 Ca 0.29 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1h4b h ALA 34 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1h4b h ALA 34 CO -0.11 0.63 0.16 -0.07 0.00 0.00 0.00 179.25 179.86 1h4b h LEU 35 N 0.40 0.36 -1.48 0.00 3.38 1.00 -1.44 115.31 117.53 1h4b h LEU 35 Ca -0.08 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.03 1h4b h LEU 35 Cb 1.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1h4b h LEU 35 CO 0.17 0.30 0.77 0.11 0.09 0.00 0.00 178.44 179.88 1h4b h LYS 36 N 0.42 0.00 -0.19 1.13 1.57 -0.08 0.53 116.57 119.94 1h4b h LYS 36 Ca 0.11 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 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 0.42 0.00 -0.57 0.00 0.00 179.45 179.28 1h4b h THR 37 N 0.00 0.16 -0.16 -0.16 1.03 -1.43 0.40 112.91 112.76 1h4b h THR 37 Ca 0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.66 1h4b h THR 37 Cb 1.80 0.63 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 1h4b h THR 37 CO -0.00 0.00 0.05 -0.07 -0.01 0.00 0.00 175.52 175.48 1h4b h LEU 38 N 0.00 0.19 0.00 0.00 3.38 -0.15 -3.45 115.31 115.28 1h4b h LEU 38 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1h4b h LEU 38 Cb 0.92 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1h4b h LEU 38 CO -0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1h4b n GLY 39 N -1.36 0.48 2.62 0.83 0.00 0.14 -4.81 105.19 103.09 1h4b n GLY 39 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.15 -1.97 -4.01 1.61 7.64 -1.26 -5.14 113.62 110.34 1h4b n SER 40 Ca 0.00 -3.37 -0.10 0.00 1.01 0.00 0.00 58.87 56.41 1h4b n SER 40 Cb 0.07 1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 64.57 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 0.00 0.00 0.32 0.44 2.07 -1.26 -5.17 121.20 117.60 1h4b s ILE 41 Ca 0.29 -1.52 0.10 0.00 -1.41 0.00 0.00 60.65 58.12 1h4b s ILE 41 Cb 0.26 -2.27 -0.06 0.00 0.13 0.00 0.00 42.46 40.52 1h4b s ILE 41 CO -0.14 0.00 -0.10 0.42 -1.91 0.00 0.00 174.94 173.21 1h4b s THR 42 N -4.01 2.49 0.30 4.00 -4.23 -1.26 -5.02 115.64 107.90 1h4b s THR 42 Ca 0.26 -2.20 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1h4b s THR 42 Cb 0.01 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1h4b s THR 42 CO 0.10 -0.28 1.71 1.55 -0.54 0.00 0.00 174.62 177.16 1h4b h PRO 43 N 2.05 0.24 0.00 3.99 0.13 -2.00 -2.58 132.00 133.83 1h4b h PRO 43 Ca -0.42 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.66 0.60 -0.12 0.22 -0.23 0.00 0.00 178.00 179.12 1h4b h ASP 44 N 0.20 0.00 0.32 1.44 3.58 -1.99 -1.17 116.42 118.81 1h4b h ASP 44 Ca 0.02 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.14 1h4b h ASP 44 Cb 0.80 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.87 1h4b h ASP 44 CO 0.06 0.12 -1.49 -0.33 -2.88 0.00 0.00 179.24 174.73 1h4b h GLU 45 N 0.00 0.47 -0.40 0.28 5.08 -1.88 -2.14 114.58 115.99 1h4b h GLU 45 Ca -0.00 -0.80 -0.08 0.00 -1.00 0.00 0.00 59.36 57.48 1h4b h GLU 45 Cb 0.45 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1h4b h GLU 45 CO 0.02 1.38 -0.10 0.28 -1.00 0.00 0.00 179.01 179.58 1h4b h VAL 46 N 0.13 1.25 -0.39 3.13 2.07 -1.32 1.00 116.25 122.11 1h4b h VAL 46 Ca -0.25 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 66.00 1h4b h VAL 46 Cb 2.13 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1h4b h VAL 46 CO 0.25 0.38 -0.37 0.11 0.02 0.00 0.00 177.57 177.96 1h4b h LYS 47 N 0.64 0.91 -0.51 1.57 1.57 -1.26 -2.06 116.57 117.43 1h4b h LYS 47 Ca 0.11 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1h4b h LYS 47 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1h4b h LYS 47 CO 0.03 1.12 -0.03 1.25 -0.57 0.00 0.00 179.45 181.26 1h4b h HIS 48 N 0.75 1.01 -0.54 -1.35 2.76 -0.93 -1.46 115.15 115.39 1h4b h HIS 48 Ca 0.07 -0.19 0.02 0.00 -2.20 0.00 0.00 60.37 58.07 1h4b h HIS 48 Cb 0.95 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 1h4b h HIS 48 CO 0.06 0.95 0.33 0.52 -1.30 0.00 0.00 177.93 178.49 1h4b h MET 49 N 0.79 0.64 -0.38 5.26 2.86 -0.66 -1.60 114.93 121.84 1h4b h MET 49 Ca 0.14 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1h4b h MET 49 Cb 0.56 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1h4b h MET 49 CO 0.03 0.43 0.24 0.52 1.06 0.00 0.00 176.91 179.19 1h4b h MET 50 N 0.66 0.51 -0.08 1.72 2.07 -1.11 0.62 114.93 119.32 1h4b h MET 50 Ca 0.21 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.83 1h4b h MET 50 Cb -0.01 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 29.61 1h4b h MET 50 CO -0.08 0.36 0.13 0.00 1.07 0.00 0.00 176.91 178.38 1h4b h ALA 51 N 1.12 1.50 0.06 6.32 0.00 -0.57 2.03 119.26 129.71 1h4b h ALA 51 Ca 0.14 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.70 1h4b h ALA 51 Cb -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1h4b h ALA 51 CO -0.03 -0.17 -2.03 0.39 0.00 0.00 0.00 179.25 177.41 1h4b n GLU 52 N -3.52 0.70 0.07 0.00 1.02 -0.12 -4.17 120.64 114.61 1h4b n GLU 52 Ca -0.01 0.23 -0.06 0.00 -0.02 0.00 0.00 57.16 57.30 1h4b n GLU 52 Cb 0.22 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 1.58 -1.84 -3.67 2.04 0.14 -3.42 117.51 112.37 1h4b h ILE 53 Ca -0.42 -3.24 -0.49 0.00 1.00 0.00 0.00 64.86 61.70 1h4b h ILE 53 Cb 2.03 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 40.88 1h4b h ILE 53 CO 0.05 0.90 1.51 -0.62 0.00 0.00 0.00 178.15 179.99 1h4b s ASP 54 N -6.65 4.89 -0.02 1.72 2.15 0.68 -4.82 116.67 114.62 1h4b s ASP 54 Ca 0.01 0.93 -0.23 0.00 0.43 0.00 0.00 52.55 53.70 1h4b s ASP 54 Cb 0.10 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 39.99 1h4b s ASP 54 CO 0.81 -2.56 1.13 0.71 -0.17 0.00 0.00 175.17 175.09 1h4b h THR 55 N 7.33 1.47 0.02 1.71 1.35 -1.86 -3.33 112.91 119.59 1h4b h THR 55 Ca -0.27 -1.77 -0.27 0.00 -0.55 0.00 0.00 66.41 63.55 1h4b h THR 55 Cb 1.22 2.47 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 1h4b h THR 55 CO 1.15 0.50 -1.47 -2.24 -0.25 0.00 0.00 175.52 173.21 1h4b h ASP 56 N -0.30 0.07 0.00 5.36 2.03 -1.92 -3.48 116.42 118.18 1h4b h ASP 56 Ca -0.02 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1h4b h ASP 56 Cb 0.95 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1h4b h ASP 56 CO 0.06 1.10 0.00 0.61 -1.03 0.00 0.00 179.24 179.98 1h4b n GLY 57 N 1.52 1.38 0.07 7.15 0.00 -1.25 -4.96 105.19 109.10 1h4b n GLY 57 Ca -0.12 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 0.53 0.27 0.00 1.61 5.75 -1.26 -4.87 116.55 118.58 1h4b n ASP 58 Ca 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 1h4b n ASP 58 Cb 0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.20 0.32 3.16 6.12 0.00 -1.26 -5.06 105.19 109.67 1h4b n GLY 59 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.08 1.01 -0.19 1.61 0.08 -1.26 -4.46 117.98 112.70 1h4b s PHE 60 Ca 0.00 -0.66 -0.07 0.00 0.12 0.00 0.00 56.93 56.33 1h4b s PHE 60 Cb 0.00 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1h4b s PHE 60 CO 0.00 -0.02 0.05 0.42 -0.10 0.00 0.00 175.22 175.57 1h4b s ILE 61 N -2.40 4.51 0.49 0.64 -1.09 -0.57 -4.77 121.20 118.00 1h4b s ILE 61 Ca 0.04 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.35 1h4b s ILE 61 Cb -0.03 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1h4b s ILE 61 CO -0.00 0.43 0.70 -0.94 -1.23 0.00 0.00 174.94 173.90 1h4b s SER 62 N 0.68 5.56 0.24 3.58 1.04 -1.26 -1.53 113.70 122.02 1h4b s SER 62 Ca 0.02 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1h4b s SER 62 Cb -0.13 -1.12 0.41 0.00 0.10 0.00 0.00 66.02 65.27 1h4b s SER 62 CO 0.02 -0.90 1.80 0.15 0.98 0.00 0.00 173.24 175.28 1h4b h PHE 63 N 0.30 0.79 -0.05 5.02 3.57 -1.97 0.29 116.94 124.88 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 1.28 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1h4b h PHE 63 CO 0.41 0.30 0.03 0.37 -2.23 0.00 0.00 178.31 177.18 1h4b h GLN 64 N 0.72 0.07 -0.36 1.11 5.75 -1.93 0.51 115.11 120.98 1h4b h GLN 64 Ca 0.40 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.91 1h4b h GLN 64 Cb 0.41 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1h4b h GLN 64 CO -0.27 0.08 0.20 0.93 -2.65 0.00 0.00 178.83 177.12 1h4b h GLU 65 N 0.04 0.40 -0.51 1.69 5.08 -1.58 0.15 114.58 119.85 1h4b h GLU 65 Ca 0.02 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1h4b h GLU 65 Cb 0.03 -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 0.11 0.35 -1.00 0.00 0.00 179.01 178.73 1h4b h PHE 66 N 0.42 0.80 -0.08 4.33 3.04 -0.14 -0.19 116.94 125.12 1h4b h PHE 66 Ca 0.15 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1h4b h PHE 66 Cb 0.02 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1h4b h PHE 66 CO -0.08 0.68 -0.00 1.15 -2.02 0.00 0.00 178.31 178.04 1h4b h THR 67 N 0.75 1.26 -0.66 4.41 2.02 0.95 0.49 112.91 122.13 1h4b h THR 67 Ca 0.17 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1h4b h THR 67 Cb 0.30 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1h4b h THR 67 CO -0.00 0.22 0.33 0.44 0.37 0.00 0.00 175.52 176.88 1h4b h ASP 68 N -0.15 0.84 -0.20 4.18 3.32 -0.48 -2.20 116.42 121.73 1h4b h ASP 68 Ca 0.02 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 56.78 1h4b h ASP 68 Cb 0.35 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1h4b h ASP 68 CO 0.00 0.70 -0.69 0.15 -1.72 0.00 0.00 179.24 177.68 1h4b h PHE 69 N 0.93 1.08 -0.36 4.55 3.04 -0.83 -2.88 116.94 122.48 1h4b h PHE 69 Ca 0.23 -0.45 0.10 0.00 3.98 0.00 0.00 57.97 61.84 1h4b h PHE 69 Cb 0.08 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1h4b h PHE 69 CO 0.01 1.28 0.27 0.78 -2.02 0.00 0.00 178.31 178.63 1h4b h GLY 70 N 0.58 0.00 2.00 2.40 0.00 0.57 0.55 103.07 109.17 1h4b h GLY 70 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1h4b h GLY 70 CO 0.15 0.00 -0.08 3.21 0.00 0.00 0.00 176.54 179.81 1h4b h ARG 71 N 0.00 0.00 0.00 4.80 3.08 -1.19 0.14 114.38 121.21 1h4b h ARG 71 Ca 0.17 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1h4b h ARG 71 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1h4b h ARG 71 CO -0.00 0.08 -0.51 0.00 -1.07 0.00 0.00 179.97 178.48 1h4b h ALA 72 N 1.92 0.70 -1.31 0.04 0.00 0.08 -3.37 119.26 117.32 1h4b h ALA 72 Ca -0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 54.91 54.09 1h4b h ALA 72 Cb 0.62 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.02 1h4b h ALA 72 CO 0.01 0.57 -1.00 0.09 0.00 0.00 0.00 179.25 178.92 1h4b n ASN 73 N -3.18 0.13 -0.33 0.00 3.02 -0.95 -4.94 115.26 109.00 1h4b n ASN 73 Ca 0.02 -3.07 0.15 0.00 -0.03 0.00 0.00 54.58 51.65 1h4b n ASN 73 Cb 0.72 0.01 0.37 0.00 -0.61 0.00 0.00 39.78 40.26 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 2.94 0.66 0.00 3.52 3.08 -0.92 0.93 114.38 124.59 1h4b h ARG 74 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1h4b h ARG 74 Cb 1.05 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1h4b h ARG 74 CO 0.39 0.43 -0.01 0.78 -1.07 0.00 0.00 179.97 180.50 1h4b h GLY 75 N 0.68 0.00 0.83 0.04 0.00 -1.92 -1.83 103.07 100.87 1h4b h GLY 75 Ca 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.80 1h4b h GLY 75 CO -0.33 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.42 1h4b h LEU 76 N 0.00 0.53 -0.77 3.11 3.38 0.55 -2.75 115.31 119.35 1h4b h LEU 76 Ca -0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1h4b h LEU 76 Cb 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1h4b h LEU 76 CO 0.00 0.89 0.30 -0.07 0.09 0.00 0.00 178.44 179.65 1h4b h LEU 77 N 0.17 1.08 -2.12 1.67 4.07 -1.16 0.31 115.31 119.33 1h4b h LEU 77 Ca 0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 1h4b h LEU 77 Cb 0.74 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 1h4b h LEU 77 CO 0.05 0.97 -0.00 0.11 -1.08 0.00 0.00 178.44 178.48 1h4b h LYS 78 N 1.13 0.00 0.00 1.13 1.57 -1.38 0.32 116.57 119.34 1h4b h LYS 78 Ca 0.26 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.83 1h4b h LYS 78 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1h4b h LYS 78 CO -0.02 0.00 -1.41 -0.25 -0.57 0.00 0.00 179.45 177.21 1h4b n ASP 79 N -3.10 1.89 -0.11 0.86 8.00 -0.52 -3.84 116.55 119.73 1h4b n ASP 79 Ca -0.01 0.43 -0.11 0.00 0.71 0.00 0.00 54.79 55.82 1h4b n ASP 79 Cb 0.21 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1h4b n ASP 79 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1h4b h VAL 80 N -1.00 1.25 -0.88 2.53 3.04 -0.42 -2.68 116.25 118.08 1h4b h VAL 80 Ca -0.31 -0.92 0.15 0.00 -1.01 0.00 0.00 66.70 64.61 1h4b h VAL 80 Cb 1.17 1.20 -0.07 0.00 -2.01 0.00 0.00 31.29 31.58 1h4b h VAL 80 CO -0.19 0.30 0.57 0.00 -1.01 0.00 0.00 177.57 177.24 1h4b h ALA 81 N 0.86 1.91 0.00 3.17 0.00 -0.52 0.33 119.26 125.02 1h4b h ALA 81 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1h4b h ALA 81 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1h4b h ALA 81 CO 0.01 -0.16 -0.19 0.87 0.00 0.00 0.00 179.25 179.78 1h4b h LYS 82 N 0.62 0.00 -0.76 0.00 1.57 -1.58 -2.73 116.57 113.69 1h4b h LYS 82 Ca 0.45 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.24 1h4b h LYS 82 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1h4b h LYS 82 CO -0.20 0.19 0.50 0.82 -0.57 0.00 0.00 179.45 180.19 1h4b h ILE 83 N 0.00 1.17 -0.01 1.86 2.04 -0.25 -3.52 117.51 118.81 1h4b h ILE 83 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1h4b h ILE 83 Cb 0.49 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1h4b h ILE 83 CO 0.02 0.18 0.00 0.49 0.00 0.00 0.00 178.15 178.85