#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 0.02 -4.78 0.00 8.00 -1.26 -4.85 116.55 113.69 1h4b n ASP 2 Ca 0.00 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 1h4b n ASP 2 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 -2.77 6.28 0.14 -2.24 1.01 -1.26 -5.01 116.67 112.82 1h4b s ASP 3 Ca 0.22 3.06 0.08 0.00 0.71 0.00 0.00 52.55 56.62 1h4b s ASP 3 Cb 0.20 -2.67 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1h4b s ASP 3 CO 0.50 -0.92 -0.09 -2.28 0.21 0.00 0.00 175.17 172.59 1h4b s HIS 4 N -1.13 2.71 0.42 4.23 2.46 -1.26 -4.99 115.29 117.72 1h4b s HIS 4 Ca 0.54 -0.18 0.40 0.00 0.47 0.00 0.00 55.06 56.29 1h4b s HIS 4 Cb -0.47 -1.38 1.96 0.00 -0.13 0.00 0.00 32.58 32.57 1h4b s HIS 4 CO 0.63 0.46 2.20 -1.00 -2.47 0.00 0.00 174.74 174.57 1h4b h PRO 5 N 3.30 0.00 -0.72 2.88 0.13 -2.01 -2.20 132.00 133.38 1h4b h PRO 5 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1h4b h PRO 5 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1h4b h PRO 5 CO 0.53 0.00 0.47 1.96 -0.23 0.00 0.00 178.00 180.74 1h4b h GLN 6 N 0.00 0.88 -0.35 0.86 1.08 -2.02 -2.06 115.11 113.50 1h4b h GLN 6 Ca -0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1h4b h GLN 6 Cb 0.23 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1h4b h GLN 6 CO 0.00 0.58 0.09 -0.44 -0.95 0.00 0.00 178.83 178.11 1h4b h ASP 7 N 0.90 0.52 -1.02 1.46 3.32 -1.81 -2.41 116.42 117.39 1h4b h ASP 7 Ca 0.28 -0.23 0.25 0.00 0.02 0.00 0.00 57.03 57.36 1h4b h ASP 7 Cb 0.00 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.33 1h4b h ASP 7 CO -0.07 0.61 0.66 0.11 -1.72 0.00 0.00 179.24 178.83 1h4b h LYS 8 N 0.41 0.39 -0.34 3.56 1.57 -1.49 0.40 116.57 121.07 1h4b h LYS 8 Ca 0.11 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1h4b h LYS 8 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1h4b h LYS 8 CO 0.00 0.26 0.20 0.00 -0.57 0.00 0.00 179.45 179.33 1h4b h ALA 9 N 1.61 0.43 -0.34 3.86 0.00 -1.32 1.23 119.26 124.73 1h4b h ALA 9 Ca 0.57 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.28 1h4b h ALA 9 Cb 1.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1h4b h ALA 9 CO -0.27 -0.05 -0.34 0.93 0.00 0.00 0.00 179.25 179.52 1h4b h GLU 10 N 0.43 0.76 -0.39 0.00 5.08 -0.36 -0.84 114.58 119.26 1h4b h GLU 10 Ca 0.12 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 1h4b h GLU 10 Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1h4b h GLU 10 CO -0.02 0.99 -0.35 0.00 -1.00 0.00 0.00 179.01 178.62 1h4b h ARG 11 N 0.64 0.93 -0.57 2.33 3.08 0.04 -0.84 114.38 119.99 1h4b h ARG 11 Ca 0.07 -0.48 -0.11 0.00 0.07 0.00 0.00 59.98 59.53 1h4b h ARG 11 Cb 0.87 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1h4b h ARG 11 CO 0.08 1.13 -0.06 0.93 -1.07 0.00 0.00 179.97 180.98 1h4b h GLU 12 N 0.75 1.04 -0.42 0.04 5.08 0.17 0.38 114.58 121.61 1h4b h GLU 12 Ca 0.07 -0.36 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1h4b h GLU 12 Cb 0.95 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1h4b h GLU 12 CO 0.09 1.05 -0.32 0.00 -1.00 0.00 0.00 179.01 178.83 1h4b h ARG 13 N 0.94 0.95 -0.17 2.33 3.08 -1.05 0.60 114.38 121.06 1h4b h ARG 13 Ca 0.16 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 1h4b h ARG 13 Cb 0.62 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1h4b h ARG 13 CO 0.04 1.12 -0.33 0.82 -1.07 0.00 0.00 179.97 180.55 1h4b h ILE 14 N 0.79 1.35 -0.23 2.04 2.04 -0.95 -1.62 117.51 120.93 1h4b h ILE 14 Ca 0.08 -1.58 -0.14 0.00 1.00 0.00 0.00 64.86 64.22 1h4b h ILE 14 Cb 0.90 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1h4b h ILE 14 CO 0.08 0.48 -0.44 0.15 0.00 0.00 0.00 178.15 178.42 1h4b h PHE 15 N 0.16 0.69 -0.10 1.37 3.57 -0.20 -2.48 116.94 119.96 1h4b h PHE 15 Ca 0.01 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.23 1h4b h PHE 15 Cb 0.93 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1h4b h PHE 15 CO 0.10 0.91 -0.24 0.87 -2.23 0.00 0.00 178.31 177.72 1h4b h LYS 16 N 0.47 0.16 -0.17 1.11 1.57 0.25 -1.81 116.57 118.16 1h4b h LYS 16 Ca 0.03 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1h4b h LYS 16 Cb 0.95 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1h4b h LYS 16 CO 0.09 0.40 -0.56 0.00 -0.57 0.00 0.00 179.45 178.81 1h4b h ARG 17 N 0.15 0.51 -0.12 3.15 2.47 -0.95 -3.18 114.38 116.41 1h4b h ARG 17 Ca 0.03 -0.33 -0.03 0.00 -1.26 0.00 0.00 59.98 58.38 1h4b h ARG 17 Cb 0.52 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1h4b h ARG 17 CO 0.04 0.94 -0.04 0.74 0.56 0.00 0.00 179.97 182.20 1h4b h PHE 18 N 0.39 0.28 -1.66 3.04 0.04 -0.98 -3.40 116.94 114.66 1h4b h PHE 18 Ca 0.00 -0.06 -0.51 0.00 2.80 0.00 0.00 57.97 60.20 1h4b h PHE 18 Cb 1.10 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1h4b h PHE 18 CO 0.04 0.56 1.59 -3.47 -0.60 0.00 0.00 178.31 176.44 1h4b n ASP 19 N -4.71 2.54 0.05 2.17 2.03 -0.73 -4.56 116.55 113.32 1h4b n ASP 19 Ca -0.06 -0.25 -0.13 0.00 0.52 0.00 0.00 54.79 54.87 1h4b n ASP 19 Cb 0.26 -1.55 -0.09 0.00 -0.72 0.00 0.00 41.12 39.03 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 17.86 -0.12 0.01 -1.67 0.00 -1.84 -3.30 119.26 130.20 1h4b h ALA 20 Ca -0.29 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 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 1.10 -0.40 -1.52 -2.95 0.00 0.00 0.00 179.25 175.48 1h4b h ASN 21 N -0.46 0.04 -0.18 0.00 -1.07 -1.92 -3.48 115.58 108.50 1h4b h ASN 21 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.30 1h4b h ASN 21 Cb 0.39 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 1h4b h ASN 21 CO 0.02 1.05 0.00 0.61 0.07 0.00 0.00 177.43 179.18 1h4b n GLY 22 N 1.52 1.20 0.60 9.14 0.00 -1.25 -4.97 105.19 111.43 1h4b n GLY 22 Ca -0.13 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.56 1.79 0.00 1.61 5.75 -1.26 -4.88 116.55 120.12 1h4b n ASP 23 Ca 0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1h4b n ASP 23 Cb 0.16 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.92 3.09 6.12 0.00 -1.26 -5.04 105.19 110.17 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 -0.12 1.61 -2.85 -1.26 -3.89 119.74 113.48 1h4b s LYS 25 Ca 0.00 -0.54 -0.00 0.00 -1.00 0.00 0.00 55.97 54.42 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 0.22 -0.10 0.42 0.10 0.00 0.00 175.35 176.00 1h4b s ILE 26 N -0.53 3.37 0.38 3.79 1.01 -0.24 -4.81 121.20 124.16 1h4b s ILE 26 Ca 0.02 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1h4b s ILE 26 Cb -0.06 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1h4b s ILE 26 CO 0.00 0.54 0.38 -0.94 0.00 0.00 0.00 174.94 174.92 1h4b s SER 27 N 0.03 5.32 0.24 3.58 1.04 -1.26 -1.58 113.70 121.06 1h4b s SER 27 Ca -0.03 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 1h4b s SER 27 Cb -0.14 -0.79 0.45 0.00 0.10 0.00 0.00 66.02 65.64 1h4b s SER 27 CO 0.04 -0.54 1.70 0.00 0.98 0.00 0.00 173.24 175.42 1h4b h ALA 28 N 1.04 0.97 -0.94 5.32 0.00 -1.93 0.75 119.26 124.47 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 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1h4b h ALA 28 CO 0.55 -0.29 0.60 0.00 0.00 0.00 0.00 179.25 180.11 1h4b h ALA 29 N 1.58 1.28 0.14 0.00 0.00 -1.96 1.87 119.26 122.17 1h4b h ALA 29 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 29 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h4b h ALA 29 CO -0.46 0.39 -0.07 0.93 0.00 0.00 0.00 179.25 180.04 1h4b h GLU 30 N 1.10 -0.18 -0.36 0.00 5.08 -0.76 -0.11 114.58 119.35 1h4b h GLU 30 Ca 0.40 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1h4b h GLU 30 Cb 0.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1h4b h GLU 30 CO -0.16 0.26 0.23 1.25 -1.00 0.00 0.00 179.01 179.58 1h4b h LEU 31 N -0.89 0.38 -0.68 1.33 6.46 0.50 -1.59 115.31 120.83 1h4b h LEU 31 Ca -0.02 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1h4b h LEU 31 Cb 0.52 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1h4b h LEU 31 CO 0.03 0.28 0.41 1.23 -0.62 0.00 0.00 178.44 179.77 1h4b h GLY 32 N 0.46 0.98 0.81 3.75 0.00 0.28 0.33 103.07 109.68 1h4b h GLY 32 Ca 0.13 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.10 1h4b h GLY 32 CO -0.04 0.39 0.53 0.83 0.00 0.00 0.00 176.54 178.25 1h4b h GLU 33 N 0.92 0.98 -0.27 4.80 4.39 -0.40 -0.51 114.58 124.49 1h4b h GLU 33 Ca 0.24 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1h4b h GLU 33 Cb -0.03 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1h4b h GLU 33 CO -0.05 0.65 -0.55 0.00 -1.16 0.00 0.00 179.01 177.90 1h4b h ALA 34 N 1.37 0.52 -0.48 3.43 0.00 -0.75 -2.98 119.26 120.37 1h4b h ALA 34 Ca 0.35 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1h4b h ALA 34 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1h4b h ALA 34 CO -0.14 0.68 0.32 -0.07 0.00 0.00 0.00 179.25 180.04 1h4b h LEU 35 N 0.62 0.53 -1.73 0.00 3.38 -0.05 -1.82 115.31 116.24 1h4b h LEU 35 Ca 0.01 -0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.35 1h4b h LEU 35 Cb 1.14 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1h4b h LEU 35 CO 0.12 0.38 1.10 0.11 0.09 0.00 0.00 178.44 180.24 1h4b h LYS 36 N 0.63 0.00 -0.43 1.13 1.57 -0.96 1.03 116.57 119.53 1h4b h LYS 36 Ca 0.18 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1h4b h LYS 36 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1h4b h LYS 36 CO -0.04 0.00 0.47 0.00 -0.57 0.00 0.00 179.45 179.31 1h4b h THR 37 N 0.00 0.36 -0.03 -0.16 1.03 -1.51 0.55 112.91 113.16 1h4b h THR 37 Ca 0.63 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.98 1h4b h THR 37 Cb 2.82 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 70.52 1h4b h THR 37 CO -0.01 0.00 -0.21 -0.07 -0.01 0.00 0.00 175.52 175.23 1h4b h LEU 38 N 0.00 0.04 0.00 0.00 3.38 0.88 -3.45 115.31 116.16 1h4b h LEU 38 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1h4b h LEU 38 Cb 1.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1h4b h LEU 38 CO -0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1h4b n GLY 39 N -0.89 0.31 2.60 0.83 0.00 0.19 -4.79 105.19 103.43 1h4b n GLY 39 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1h4b n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h4b n SER 40 N -0.35 -1.42 -4.10 1.61 2.88 -1.26 -5.13 113.62 105.84 1h4b n SER 40 Ca 0.00 -3.39 -0.10 0.00 -1.33 0.00 0.00 58.87 54.05 1h4b n SER 40 Cb 0.18 1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 64.71 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1h4b s ILE 41 N -0.49 0.03 0.32 2.46 2.07 -1.26 -5.16 121.20 119.16 1h4b s ILE 41 Ca 0.26 -1.73 0.07 0.00 -1.41 0.00 0.00 60.65 57.85 1h4b s ILE 41 Cb 0.32 -2.24 -0.06 0.00 0.13 0.00 0.00 42.46 40.61 1h4b s ILE 41 CO -0.06 -0.12 -0.05 0.42 -1.91 0.00 0.00 174.94 173.22 1h4b s THR 42 N -4.07 1.83 0.27 4.00 -4.23 -1.26 -5.03 115.64 107.14 1h4b s THR 42 Ca 0.29 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1h4b s THR 42 Cb 0.05 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1h4b s THR 42 CO 0.08 -0.20 1.65 1.55 -0.54 0.00 0.00 174.62 177.16 1h4b h PRO 43 N 2.12 0.33 0.00 3.99 0.13 -1.99 -2.74 132.00 133.83 1h4b h PRO 43 Ca -0.41 -0.17 -0.02 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 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.63 1h4b h ASP 44 N 0.27 0.00 0.52 1.44 3.32 -1.99 0.11 116.42 120.08 1h4b h ASP 44 Ca 0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.78 1h4b h ASP 44 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1h4b h ASP 44 CO 0.07 0.11 -1.39 -0.33 -1.72 0.00 0.00 179.24 175.98 1h4b h GLU 45 N 0.00 0.30 -0.28 3.56 5.08 -1.91 -2.90 114.58 118.42 1h4b h GLU 45 Ca -0.00 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 1h4b h GLU 45 Cb 0.22 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1h4b h GLU 45 CO 0.01 1.21 -0.22 0.28 -1.00 0.00 0.00 179.01 179.29 1h4b h VAL 46 N 0.08 1.26 -0.37 3.13 2.07 -1.15 -1.50 116.25 119.77 1h4b h VAL 46 Ca -0.19 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 1h4b h VAL 46 Cb 2.01 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1h4b h VAL 46 CO 0.20 0.40 -0.29 0.11 0.02 0.00 0.00 177.57 178.00 1h4b h LYS 47 N 0.47 0.80 -0.40 1.57 1.57 -1.04 -2.51 116.57 117.04 1h4b h LYS 47 Ca 0.07 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1h4b h LYS 47 Cb 0.65 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1h4b h LYS 47 CO 0.05 0.99 -0.17 1.25 -0.57 0.00 0.00 179.45 181.00 1h4b h HIS 48 N 0.68 0.83 -0.23 -1.35 2.76 -1.25 -1.39 115.15 115.19 1h4b h HIS 48 Ca 0.08 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1h4b h HIS 48 Cb 0.83 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1h4b h HIS 48 CO 0.04 0.86 0.14 0.52 -1.30 0.00 0.00 177.93 178.19 1h4b h MET 49 N 0.66 0.32 -0.25 5.26 2.86 -1.02 -1.30 114.93 121.45 1h4b h MET 49 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h4b h MET 49 Cb 0.65 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1h4b h MET 49 CO 0.05 0.25 0.14 0.52 1.06 0.00 0.00 176.91 178.93 1h4b h MET 50 N 0.29 0.34 -0.02 1.72 2.07 -1.25 1.20 114.93 119.29 1h4b h MET 50 Ca 0.08 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1h4b h MET 50 Cb 0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1h4b h MET 50 CO -0.02 0.29 0.11 0.00 1.07 0.00 0.00 176.91 178.37 1h4b h ALA 51 N 1.03 1.19 0.01 6.32 0.00 -0.90 1.78 119.26 128.69 1h4b h ALA 51 Ca 0.09 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.62 1h4b h ALA 51 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1h4b h ALA 51 CO -0.02 -0.12 -2.40 0.39 0.00 0.00 0.00 179.25 177.11 1h4b n GLU 52 N -3.12 0.67 0.09 0.00 -0.58 -0.20 -4.42 120.64 113.08 1h4b n GLU 52 Ca -0.02 0.13 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 1h4b n GLU 52 Cb 0.18 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.37 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 1.54 -1.69 -3.67 2.04 0.23 -3.42 117.51 112.54 1h4b h ILE 53 Ca -0.55 -3.15 -0.48 0.00 1.00 0.00 0.00 64.86 61.68 1h4b h ILE 53 Cb 2.00 2.91 0.01 0.00 -0.74 0.00 0.00 36.82 40.99 1h4b h ILE 53 CO -0.04 0.91 1.61 -0.62 0.00 0.00 0.00 178.15 180.00 1h4b s ASP 54 N -7.01 4.60 0.05 1.72 -1.08 0.60 -4.80 116.67 110.75 1h4b s ASP 54 Ca -0.03 1.18 -0.22 0.00 -0.52 0.00 0.00 52.55 52.97 1h4b s ASP 54 Cb 0.08 -2.50 -0.13 0.00 -1.46 0.00 0.00 42.92 38.90 1h4b s ASP 54 CO 0.86 -2.74 1.47 0.71 0.52 0.00 0.00 175.17 175.99 1h4b h THR 55 N 7.59 1.26 0.14 1.71 1.35 -1.86 -3.30 112.91 119.80 1h4b h THR 55 Ca -0.27 -0.86 -0.35 0.00 -0.55 0.00 0.00 66.41 64.39 1h4b h THR 55 Cb 1.26 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1h4b h THR 55 CO 1.13 0.25 -1.82 -2.24 -0.25 0.00 0.00 175.52 172.59 1h4b h ASP 56 N -0.05 0.47 0.00 5.36 2.03 -1.92 -3.49 116.42 118.82 1h4b h ASP 56 Ca 0.03 -0.84 0.00 0.00 -0.73 0.00 0.00 57.03 55.50 1h4b h ASP 56 Cb 0.38 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1h4b h ASP 56 CO 0.01 1.73 0.00 0.61 -1.03 0.00 0.00 179.24 180.55 1h4b n GLY 57 N 1.87 1.78 0.00 7.15 0.00 -1.25 -4.97 105.19 109.78 1h4b n GLY 57 Ca -0.26 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.83 116.55 117.82 1h4b n ASP 58 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1h4b n ASP 58 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 0.88 0.30 3.12 6.12 0.00 -1.26 -5.06 105.19 109.29 1h4b n GLY 59 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.04 0.74 -0.14 1.61 0.08 -1.26 -4.39 117.98 112.58 1h4b s PHE 60 Ca 0.00 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.20 1h4b s PHE 60 Cb 0.00 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1h4b s PHE 60 CO 0.00 -0.18 -0.06 0.42 -0.10 0.00 0.00 175.22 175.30 1h4b s ILE 61 N -3.05 3.73 0.44 0.64 -1.09 -0.62 -4.78 121.20 116.47 1h4b s ILE 61 Ca 0.04 -0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.12 1h4b s ILE 61 Cb 0.01 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1h4b s ILE 61 CO -0.04 0.51 0.60 -0.94 -1.23 0.00 0.00 174.94 173.84 1h4b s SER 62 N 0.19 5.60 0.21 3.58 1.04 -1.26 -1.08 113.70 121.98 1h4b s SER 62 Ca -0.03 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 1h4b s SER 62 Cb -0.14 -0.57 0.25 0.00 0.10 0.00 0.00 66.02 65.65 1h4b s SER 62 CO 0.03 -0.83 1.79 0.15 0.98 0.00 0.00 173.24 175.37 1h4b h PHE 63 N 0.58 0.61 -0.11 5.02 3.57 -1.96 0.29 116.94 124.93 1h4b h PHE 63 Ca -0.39 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.15 1h4b h PHE 63 Cb 1.28 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1h4b h PHE 63 CO 0.40 0.27 0.03 0.37 -2.23 0.00 0.00 178.31 177.15 1h4b h GLN 64 N 0.61 0.08 -0.35 1.11 5.75 -1.94 0.49 115.11 120.87 1h4b h GLN 64 Ca 0.30 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1h4b h GLN 64 Cb 0.24 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1h4b h GLN 64 CO -0.21 0.05 0.23 0.93 -2.65 0.00 0.00 178.83 177.18 1h4b h GLU 65 N 0.09 0.46 -0.32 1.69 5.08 -1.69 -0.39 114.58 119.50 1h4b h GLU 65 Ca 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1h4b h GLU 65 Cb 0.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1h4b h GLU 65 CO -0.05 0.32 0.01 0.35 -1.00 0.00 0.00 179.01 178.63 1h4b h PHE 66 N 0.47 0.50 -0.06 4.33 3.04 -0.05 -1.74 116.94 123.43 1h4b h PHE 66 Ca 0.13 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1h4b h PHE 66 Cb -0.04 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.32 1h4b h PHE 66 CO -0.05 0.49 -0.00 1.15 -2.02 0.00 0.00 178.31 177.88 1h4b h THR 67 N 0.47 1.26 -0.67 4.41 2.02 0.82 1.10 112.91 122.32 1h4b h THR 67 Ca 0.10 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1h4b h THR 67 Cb 0.30 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1h4b h THR 67 CO 0.01 0.22 0.44 0.44 0.37 0.00 0.00 175.52 177.00 1h4b h ASP 68 N -0.20 0.69 0.46 4.18 3.32 -0.81 -0.98 116.42 123.09 1h4b h ASP 68 Ca 0.02 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 68 Cb 0.36 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.77 1h4b h ASP 68 CO 0.00 0.48 -1.34 0.15 -1.72 0.00 0.00 179.24 176.81 1h4b h PHE 69 N 0.80 0.72 0.00 4.55 3.04 -1.07 -3.19 116.94 121.79 1h4b h PHE 69 Ca 0.27 -0.52 -0.00 0.00 3.98 0.00 0.00 57.97 61.70 1h4b h PHE 69 Cb 0.07 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1h4b h PHE 69 CO -0.00 1.40 -0.01 0.78 -2.02 0.00 0.00 178.31 178.47 1h4b h GLY 70 N 0.96 0.00 1.61 2.40 0.00 0.21 -0.83 103.07 107.42 1h4b h GLY 70 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1h4b h GLY 70 CO 0.24 0.00 -0.66 3.21 0.00 0.00 0.00 176.54 179.32 1h4b h ARG 71 N 0.00 0.39 0.00 4.80 3.08 -1.20 0.09 114.38 121.53 1h4b h ARG 71 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1h4b h ARG 71 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1h4b h ARG 71 CO 0.00 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 1h4b h ALA 72 N 1.01 1.00 -1.31 0.04 0.00 -1.17 -3.26 119.26 115.57 1h4b h ALA 72 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 1h4b h ALA 72 Cb 1.22 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.66 1h4b h ALA 72 CO 0.11 0.00 -1.03 0.09 0.00 0.00 0.00 179.25 178.43 1h4b n ASN 73 N -2.93 0.32 -0.35 0.00 3.02 -1.03 -4.94 115.26 109.36 1h4b n ASN 73 Ca 0.00 -3.00 0.12 0.00 -0.03 0.00 0.00 54.58 51.67 1h4b n ASN 73 Cb 0.24 -0.10 0.31 0.00 -0.61 0.00 0.00 39.78 39.61 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 2.93 0.74 0.00 3.52 3.08 -1.03 0.91 114.38 124.52 1h4b h ARG 74 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1h4b h ARG 74 Cb 1.07 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1h4b h ARG 74 CO 0.40 0.49 -0.01 0.78 -1.07 0.00 0.00 179.97 180.57 1h4b h GLY 75 N 0.76 0.00 0.72 0.04 0.00 -1.92 -1.95 103.07 100.72 1h4b h GLY 75 Ca 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.80 1h4b h GLY 75 CO -0.38 0.00 -0.31 1.41 0.00 0.00 0.00 176.54 177.26 1h4b h LEU 76 N 0.00 0.43 -1.10 3.11 3.38 0.50 -2.96 115.31 118.68 1h4b h LEU 76 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1h4b h LEU 76 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1h4b h LEU 76 CO 0.00 0.98 0.00 -0.07 0.09 0.00 0.00 178.44 179.44 1h4b h LEU 77 N -0.09 0.00 0.00 1.67 3.38 -1.10 -1.68 115.31 117.49 1h4b h LEU 77 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1h4b h LEU 77 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1h4b h LEU 77 CO 0.07 0.00 -0.44 0.11 0.09 0.00 0.00 178.44 178.27 1h4b h LYS 78 N 0.00 0.00 0.02 1.13 1.57 -1.22 -2.60 116.57 115.47 1h4b h LYS 78 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1h4b h LYS 78 Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1h4b h LYS 78 CO 0.00 0.43 -1.63 -0.25 -0.57 0.00 0.00 179.45 177.44 1h4b n ASP 79 N -3.21 1.92 -0.20 0.86 8.00 -0.80 -3.97 116.55 119.14 1h4b n ASP 79 Ca 0.02 0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.83 1h4b n ASP 79 Cb 0.71 -0.91 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.82 1.10 -0.96 2.53 3.04 -1.46 -1.62 116.25 118.05 1h4b h VAL 80 Ca -0.43 -0.26 0.21 0.00 -1.01 0.00 0.00 66.70 65.22 1h4b h VAL 80 Cb 1.48 0.29 -0.12 0.00 -2.01 0.00 0.00 31.29 30.93 1h4b h VAL 80 CO -0.20 0.14 0.54 0.00 -1.01 0.00 0.00 177.57 177.03 1h4b h ALA 81 N 1.24 1.62 0.00 3.17 0.00 -1.65 0.93 119.26 124.57 1h4b h ALA 81 Ca 0.23 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1h4b h ALA 81 Cb -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h4b h ALA 81 CO -0.08 -0.20 -0.12 0.87 0.00 0.00 0.00 179.25 179.72 1h4b h LYS 82 N 0.60 0.00 -0.35 0.00 1.57 -1.42 -2.02 116.57 114.94 1h4b h LYS 82 Ca 0.59 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.27 1h4b h LYS 82 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1h4b h LYS 82 CO -0.45 0.12 -0.17 0.82 -0.57 0.00 0.00 179.45 179.20 1h4b h ILE 83 N 0.00 1.26 -0.02 1.86 1.08 1.00 -3.52 117.51 119.17 1h4b h ILE 83 Ca -0.00 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1h4b h ILE 83 Cb 0.30 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1h4b h ILE 83 CO 0.02 0.40 0.00 0.49 -0.69 0.00 0.00 178.15 178.36