#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 0.97 -4.59 0.00 8.00 -1.26 -4.77 116.55 114.90 1h4b n ASP 2 Ca 0.00 -1.81 -0.41 0.00 0.71 0.00 0.00 54.79 53.27 1h4b n ASP 2 Cb 0.00 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.25 6.48 0.17 -2.24 2.15 -1.26 -5.05 116.67 115.67 1h4b s ASP 3 Ca 0.21 0.34 0.11 0.00 0.43 0.00 0.00 52.55 53.64 1h4b s ASP 3 Cb 0.10 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 1h4b s ASP 3 CO 0.16 -0.54 -0.21 -2.28 -0.17 0.00 0.00 175.17 172.13 1h4b s HIS 4 N 2.68 2.39 0.42 -5.34 2.46 -1.26 -5.00 115.29 111.64 1h4b s HIS 4 Ca 0.26 -0.33 0.40 0.00 0.47 0.00 0.00 55.06 55.86 1h4b s HIS 4 Cb -0.15 -1.21 1.98 0.00 -0.13 0.00 0.00 32.58 33.08 1h4b s HIS 4 CO 0.13 0.47 2.21 -1.00 -2.47 0.00 0.00 174.74 174.07 1h4b h PRO 5 N 3.31 0.00 -0.86 2.88 0.13 -2.02 -2.40 132.00 133.04 1h4b h PRO 5 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1h4b h PRO 5 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1h4b h PRO 5 CO 0.47 0.00 0.54 1.96 -0.23 0.00 0.00 178.00 180.75 1h4b h GLN 6 N 0.00 0.98 -0.65 0.86 4.20 -2.01 -1.61 115.11 116.88 1h4b h GLN 6 Ca 0.00 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1h4b h GLN 6 Cb 0.22 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1h4b h GLN 6 CO 0.00 0.65 0.41 -0.44 -0.67 0.00 0.00 178.83 178.78 1h4b h ASP 7 N 1.01 0.69 -0.98 1.46 3.32 -1.85 -1.30 116.42 118.77 1h4b h ASP 7 Ca 0.36 -0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.63 1h4b h ASP 7 Cb 0.11 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.42 1h4b h ASP 7 CO -0.15 0.49 0.63 0.11 -1.72 0.00 0.00 179.24 178.60 1h4b h LYS 8 N 0.82 0.49 -0.41 3.56 1.57 -1.42 0.26 116.57 121.44 1h4b h LYS 8 Ca 0.25 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1h4b h LYS 8 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1h4b h LYS 8 CO -0.08 0.32 0.25 0.00 -0.57 0.00 0.00 179.45 179.37 1h4b h ALA 9 N 1.62 0.52 -0.36 3.86 0.00 -1.12 1.13 119.26 124.92 1h4b h ALA 9 Ca 0.55 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.39 1h4b h ALA 9 Cb 1.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1h4b h ALA 9 CO -0.28 -0.07 -0.01 0.93 0.00 0.00 0.00 179.25 179.81 1h4b h GLU 10 N 0.50 0.64 -0.66 0.00 4.39 -0.55 -0.22 114.58 118.68 1h4b h GLU 10 Ca 0.16 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1h4b h GLU 10 Cb -0.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1h4b h GLU 10 CO -0.07 0.76 0.12 0.00 -1.16 0.00 0.00 179.01 178.66 1h4b h ARG 11 N 0.45 1.08 -0.48 2.33 3.08 -0.43 0.02 114.38 120.43 1h4b h ARG 11 Ca 0.10 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1h4b h ARG 11 Cb 0.48 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1h4b h ARG 11 CO 0.02 0.98 -0.00 0.93 -1.07 0.00 0.00 179.97 180.83 1h4b h GLU 12 N 1.02 0.85 -0.52 0.04 5.08 0.15 0.48 114.58 121.69 1h4b h GLU 12 Ca 0.20 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1h4b h GLU 12 Cb 0.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1h4b h GLU 12 CO 0.01 0.90 -0.08 0.00 -1.00 0.00 0.00 179.01 178.84 1h4b h ARG 13 N 0.71 0.97 -0.19 2.33 3.08 -0.78 0.44 114.38 120.94 1h4b h ARG 13 Ca 0.14 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 1h4b h ARG 13 Cb 0.51 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1h4b h ARG 13 CO 0.03 1.02 -0.24 0.82 -1.07 0.00 0.00 179.97 180.53 1h4b h ILE 14 N 0.84 1.33 -0.31 2.04 2.04 -0.80 -2.21 117.51 120.43 1h4b h ILE 14 Ca 0.14 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 1h4b h ILE 14 Cb 0.64 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1h4b h ILE 14 CO 0.04 0.44 -0.19 0.15 0.00 0.00 0.00 178.15 178.59 1h4b h PHE 15 N 0.17 0.63 -0.10 1.37 3.04 0.08 -2.18 116.94 119.96 1h4b h PHE 15 Ca 0.03 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 1h4b h PHE 15 Cb 0.80 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1h4b h PHE 15 CO 0.08 0.72 -0.17 0.87 -2.02 0.00 0.00 178.31 177.80 1h4b h LYS 16 N 0.52 0.15 -0.13 1.11 1.57 0.02 -1.37 116.57 118.43 1h4b h LYS 16 Ca 0.08 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 1h4b h LYS 16 Cb 0.61 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1h4b h LYS 16 CO 0.04 0.33 -0.66 0.00 -0.57 0.00 0.00 179.45 178.59 1h4b h ARG 17 N 0.15 0.51 -0.23 3.15 3.08 -0.78 -3.20 114.38 117.06 1h4b h ARG 17 Ca 0.03 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1h4b h ARG 17 Cb 0.39 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1h4b h ARG 17 CO 0.02 1.00 -0.14 0.74 -1.07 0.00 0.00 179.97 180.53 1h4b h PHE 18 N 0.37 0.58 -1.91 3.04 0.04 -0.98 -3.40 116.94 114.68 1h4b h PHE 18 Ca -0.02 -0.15 -0.51 0.00 2.80 0.00 0.00 57.97 60.09 1h4b h PHE 18 Cb 1.23 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1h4b h PHE 18 CO 0.05 0.79 1.50 0.34 -0.60 0.00 0.00 178.31 180.38 1h4b s ASP 19 N -6.20 5.00 0.02 2.17 -1.08 -0.58 -4.42 116.67 111.58 1h4b s ASP 19 Ca -0.13 1.09 -0.25 0.00 -0.52 0.00 0.00 52.55 52.74 1h4b s ASP 19 Cb 0.07 -2.51 -0.18 0.00 -1.46 0.00 0.00 42.92 38.84 1h4b s ASP 19 CO 0.77 -2.44 1.40 0.00 0.52 0.00 0.00 175.17 175.42 1h4b h ALA 20 N 16.82 -0.11 0.00 3.66 0.00 -1.84 -3.29 119.26 134.50 1h4b h ALA 20 Ca -0.29 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1h4b h ALA 20 Cb 1.23 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1h4b h ALA 20 CO 1.12 -0.41 -1.44 -2.95 0.00 0.00 0.00 179.25 175.56 1h4b h ASN 21 N -0.42 0.00 -0.29 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 0.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 1h4b h ASN 21 CO 0.02 0.73 0.00 0.61 0.07 0.00 0.00 177.43 178.86 1h4b n GLY 22 N 1.44 1.07 0.53 9.14 0.00 -1.24 -4.96 105.19 111.16 1h4b n GLY 22 Ca -0.11 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.86 1.61 0.00 1.61 5.75 -1.26 -4.88 116.55 120.24 1h4b n ASP 23 Ca 0.00 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1h4b n ASP 23 Cb 0.25 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.13 0.68 3.07 6.12 0.00 -1.26 -5.04 105.19 109.89 1h4b n GLY 24 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.76 0.78 -0.10 1.61 -2.85 -1.26 -3.87 119.74 113.28 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 -0.74 -0.03 0.00 -2.06 0.00 0.00 37.83 35.01 1h4b s LYS 25 CO 0.00 0.19 -0.08 0.42 0.10 0.00 0.00 175.35 175.97 1h4b s ILE 26 N -0.61 3.52 0.36 3.79 1.01 -0.51 -4.79 121.20 123.97 1h4b s ILE 26 Ca 0.01 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1h4b s ILE 26 Cb -0.06 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1h4b s ILE 26 CO 0.00 0.55 0.28 -0.94 0.00 0.00 0.00 174.94 174.83 1h4b s SER 27 N -0.23 5.07 0.24 3.58 1.04 -1.26 -1.59 113.70 120.56 1h4b s SER 27 Ca 0.02 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 1h4b s SER 27 Cb -0.13 -0.81 0.45 0.00 0.10 0.00 0.00 66.02 65.63 1h4b s SER 27 CO 0.03 -0.42 1.69 0.00 0.98 0.00 0.00 173.24 175.52 1h4b h ALA 28 N 1.27 0.95 -0.92 5.32 0.00 -1.92 0.56 119.26 124.51 1h4b h ALA 28 Ca -0.44 0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 28 Cb 1.26 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1h4b h ALA 28 CO 0.60 -0.32 0.60 0.00 0.00 0.00 0.00 179.25 180.13 1h4b h ALA 29 N 1.59 1.48 0.09 0.00 0.00 -1.96 2.16 119.26 122.62 1h4b h ALA 29 Ca 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1h4b h ALA 29 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1h4b h ALA 29 CO -0.48 0.39 -0.04 0.93 0.00 0.00 0.00 179.25 180.05 1h4b h GLU 30 N 1.07 -0.12 -0.67 0.00 5.08 -0.57 0.37 114.58 119.73 1h4b h GLU 30 Ca 0.39 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.70 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 -0.14 0.38 0.19 1.25 -1.00 0.00 0.00 179.01 179.69 1h4b h LEU 31 N -0.90 0.98 -0.22 1.33 5.85 0.05 -1.37 115.31 121.03 1h4b h LEU 31 Ca -0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1h4b h LEU 31 Cb 0.56 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1h4b h LEU 31 CO 0.02 0.93 0.01 1.23 -0.34 0.00 0.00 178.44 180.29 1h4b h GLY 32 N 1.07 0.42 0.73 3.75 0.00 0.35 0.67 103.07 110.05 1h4b h GLY 32 Ca 0.22 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.30 1h4b h GLY 32 CO -0.00 0.28 0.46 0.83 0.00 0.00 0.00 176.54 178.10 1h4b h GLU 33 N 0.16 0.83 -0.14 4.80 4.39 -0.60 0.33 114.58 124.34 1h4b h GLU 33 Ca 0.06 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 1h4b h GLU 33 Cb 0.39 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1h4b h GLU 33 CO 0.01 0.55 -0.78 0.00 -1.16 0.00 0.00 179.01 177.62 1h4b h ALA 34 N 1.37 0.29 -0.29 3.43 0.00 -1.06 -3.04 119.26 119.96 1h4b h ALA 34 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1h4b h ALA 34 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h4b h ALA 34 CO -0.16 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 179.87 1h4b h LEU 35 N 0.51 0.33 -1.50 0.00 3.38 0.13 -1.49 115.31 116.67 1h4b h LEU 35 Ca -0.06 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.14 1h4b h LEU 35 Cb 1.42 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1h4b h LEU 35 CO 0.16 0.24 0.90 0.50 0.09 0.00 0.00 178.44 180.33 1h4b h LYS 36 N 0.39 0.00 -0.34 1.13 3.64 -0.25 0.60 116.57 121.74 1h4b h LYS 36 Ca 0.11 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1h4b h LYS 36 Cb -0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1h4b h LYS 36 CO -0.02 0.00 0.53 0.00 -2.27 0.00 0.00 179.45 177.69 1h4b h THR 37 N 0.00 0.20 -0.23 1.00 1.03 -1.45 0.59 112.91 114.06 1h4b h THR 37 Ca 0.39 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.76 1h4b h THR 37 Cb 2.18 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 1h4b h THR 37 CO -0.00 0.00 0.03 -0.07 -0.01 0.00 0.00 175.52 175.47 1h4b h LEU 38 N 0.00 0.29 0.00 0.00 3.38 -0.02 -3.45 115.31 115.51 1h4b h LEU 38 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h4b h LEU 38 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.90 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 -1.18 0.31 2.63 0.83 0.00 0.21 -4.78 105.19 103.20 1h4b n GLY 39 Ca 0.00 0.00 -0.10 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 -0.35 -1.42 -3.67 1.61 7.64 -1.26 -5.13 113.62 111.03 1h4b n SER 40 Ca 0.00 -3.20 -0.15 0.00 1.01 0.00 0.00 58.87 56.53 1h4b n SER 40 Cb 0.18 1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 64.39 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 -0.45 0.00 0.29 0.44 2.07 -1.26 -5.18 121.20 117.11 1h4b s ILE 41 Ca 0.25 -1.88 0.06 0.00 -1.41 0.00 0.00 60.65 57.68 1h4b s ILE 41 Cb 0.34 -2.50 -0.06 0.00 0.13 0.00 0.00 42.46 40.37 1h4b s ILE 41 CO -0.06 0.00 -0.04 0.42 -1.91 0.00 0.00 174.94 173.35 1h4b s THR 42 N -3.66 1.60 0.26 4.00 -4.23 -1.26 -5.03 115.64 107.32 1h4b s THR 42 Ca 0.37 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1h4b s THR 42 Cb 0.03 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1h4b s THR 42 CO 0.20 -0.25 1.65 1.55 -0.54 0.00 0.00 174.62 177.23 1h4b h PRO 43 N 2.23 0.36 0.00 3.99 0.13 -2.00 -2.72 132.00 134.00 1h4b h PRO 43 Ca -0.40 -0.18 -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 0.68 0.72 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.65 1h4b h ASP 44 N 0.30 0.00 0.25 1.44 3.32 -1.99 -1.29 116.42 118.45 1h4b h ASP 44 Ca 0.02 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.73 1h4b h ASP 44 Cb 0.87 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.44 1h4b h ASP 44 CO 0.07 0.08 -1.62 -0.33 -1.72 0.00 0.00 179.24 175.73 1h4b h GLU 45 N 0.00 0.45 -0.38 3.56 5.08 -1.90 -2.74 114.58 118.65 1h4b h GLU 45 Ca -0.00 -0.76 -0.08 0.00 -1.00 0.00 0.00 59.36 57.51 1h4b h GLU 45 Cb 0.42 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1h4b h GLU 45 CO 0.01 1.36 -0.11 0.28 -1.00 0.00 0.00 179.01 179.55 1h4b h VAL 46 N 0.12 1.25 -0.52 3.13 2.07 -1.34 -0.90 116.25 120.06 1h4b h VAL 46 Ca -0.30 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 1h4b h VAL 46 Cb 2.12 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1h4b h VAL 46 CO 0.22 0.37 -0.15 0.11 0.02 0.00 0.00 177.57 178.14 1h4b h LYS 47 N 0.60 1.02 -0.62 1.57 1.57 -1.31 -2.45 116.57 116.96 1h4b h LYS 47 Ca 0.11 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 1h4b h LYS 47 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1h4b h LYS 47 CO 0.03 1.09 0.04 1.25 -0.57 0.00 0.00 179.45 181.29 1h4b h HIS 48 N 0.90 1.13 -0.56 -1.35 2.76 -1.13 -1.52 115.15 115.38 1h4b h HIS 48 Ca 0.13 -0.18 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1h4b h HIS 48 Cb 0.73 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1h4b h HIS 48 CO 0.05 0.98 0.34 0.52 -1.30 0.00 0.00 177.93 178.52 1h4b h MET 49 N 0.97 0.64 -0.17 5.26 2.86 -0.93 -1.35 114.93 122.22 1h4b h MET 49 Ca 0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1h4b h MET 49 Cb 0.51 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1h4b h MET 49 CO 0.02 0.42 0.08 0.52 1.06 0.00 0.00 176.91 179.02 1h4b h MET 50 N 0.66 0.24 -0.01 1.72 2.07 -1.11 0.75 114.93 119.26 1h4b h MET 50 Ca 0.23 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1h4b h MET 50 Cb 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1h4b h MET 50 CO -0.11 0.28 0.15 0.00 1.07 0.00 0.00 176.91 178.30 1h4b h ALA 51 N 0.95 1.17 0.02 6.32 0.00 -0.69 1.83 119.26 128.85 1h4b h ALA 51 Ca 0.06 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 1h4b h ALA 51 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1h4b h ALA 51 CO -0.01 -0.15 -2.28 0.39 0.00 0.00 0.00 179.25 177.21 1h4b n GLU 52 N -3.02 0.68 0.06 0.00 1.02 -0.33 -4.35 120.64 114.70 1h4b n GLU 52 Ca -0.02 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1h4b n GLU 52 Cb 0.21 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.50 -1.67 -3.67 2.04 0.18 -3.43 117.51 112.48 1h4b h ILE 53 Ca -0.51 -3.19 -0.48 0.00 1.00 0.00 0.00 64.86 61.68 1h4b h ILE 53 Cb 2.04 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 40.94 1h4b h ILE 53 CO -0.00 0.88 1.61 -0.62 0.00 0.00 0.00 178.15 180.02 1h4b s ASP 54 N -6.76 4.57 0.03 1.72 2.15 0.61 -4.81 116.67 114.19 1h4b s ASP 54 Ca -0.02 1.16 -0.19 0.00 0.43 0.00 0.00 52.55 53.92 1h4b s ASP 54 Cb 0.09 -2.50 -0.17 0.00 -0.30 0.00 0.00 42.92 40.04 1h4b s ASP 54 CO 0.84 -2.76 1.26 0.71 -0.17 0.00 0.00 175.17 175.04 1h4b h THR 55 N 7.61 1.38 0.15 1.71 1.35 -1.86 -3.33 112.91 119.91 1h4b h THR 55 Ca -0.26 -1.62 -0.35 0.00 -0.55 0.00 0.00 66.41 63.63 1h4b h THR 55 Cb 1.26 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1h4b h THR 55 CO 1.14 0.48 -1.82 -2.24 -0.25 0.00 0.00 175.52 172.83 1h4b h ASP 56 N 0.01 0.49 0.00 5.36 2.03 -1.92 -3.49 116.42 118.90 1h4b h ASP 56 Ca -0.01 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 1h4b h ASP 56 Cb 0.93 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1h4b h ASP 56 CO 0.07 1.73 0.00 0.61 -1.03 0.00 0.00 179.24 180.62 1h4b n GLY 57 N 1.87 1.94 0.05 7.15 0.00 -1.25 -4.98 105.19 109.97 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 0.21 0.00 1.61 5.75 -1.26 -4.86 116.55 118.00 1h4b n ASP 58 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 1h4b n ASP 58 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.23 0.43 3.11 6.12 0.00 -1.26 -5.06 105.19 109.76 1h4b n GLY 59 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.72 -0.19 1.61 0.40 -1.26 -4.45 117.98 112.74 1h4b s PHE 60 Ca 0.00 -0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 55.47 1h4b s PHE 60 Cb 0.00 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 43.06 1h4b s PHE 60 CO 0.00 -0.17 0.02 0.42 0.70 0.00 0.00 175.22 176.18 1h4b s ILE 61 N -2.91 4.23 0.49 0.64 -1.09 -0.62 -4.77 121.20 117.17 1h4b s ILE 61 Ca 0.03 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1h4b s ILE 61 Cb 0.01 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.00 1h4b s ILE 61 CO -0.04 0.45 0.70 -0.94 -1.23 0.00 0.00 174.94 173.88 1h4b s SER 62 N 0.70 5.55 0.24 3.58 1.04 -1.26 -1.42 113.70 122.11 1h4b s SER 62 Ca 0.01 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 1h4b s SER 62 Cb -0.14 -1.11 0.37 0.00 0.10 0.00 0.00 66.02 65.23 1h4b s SER 62 CO 0.02 -0.91 1.80 0.15 0.98 0.00 0.00 173.24 175.28 1h4b h PHE 63 N 0.28 0.76 -0.07 5.02 3.57 -1.97 0.29 116.94 124.82 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 39.79 1h4b h PHE 63 CO 0.41 0.30 0.04 0.37 -2.23 0.00 0.00 178.31 177.20 1h4b h GLN 64 N 0.72 0.09 -0.33 1.11 5.75 -1.93 0.31 115.11 120.83 1h4b h GLN 64 Ca 0.37 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.89 1h4b h GLN 64 Cb 0.35 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1h4b h GLN 64 CO -0.25 0.10 0.16 0.93 -2.65 0.00 0.00 178.83 177.12 1h4b h GLU 65 N 0.06 0.33 -0.72 1.69 5.08 -1.60 0.12 114.58 119.53 1h4b h GLU 65 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1h4b h GLU 65 Cb 0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1h4b h GLU 65 CO -0.00 0.22 0.38 0.35 -1.00 0.00 0.00 179.01 178.95 1h4b h PHE 66 N 0.34 0.99 -0.15 4.33 3.04 -0.14 -0.59 116.94 124.77 1h4b h PHE 66 Ca 0.14 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1h4b h PHE 66 Cb 0.06 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1h4b h PHE 66 CO -0.10 0.70 0.01 1.15 -2.02 0.00 0.00 178.31 178.05 1h4b h THR 67 N 1.01 1.24 -0.87 4.41 2.02 0.62 0.99 112.91 122.34 1h4b h THR 67 Ca 0.25 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1h4b h THR 67 Cb 0.05 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1h4b h THR 67 CO -0.04 0.23 0.55 0.44 0.37 0.00 0.00 175.52 177.07 1h4b h ASP 68 N 0.01 1.02 0.14 4.18 3.32 -0.41 -1.57 116.42 123.11 1h4b h ASP 68 Ca 0.04 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 1h4b h ASP 68 Cb 0.34 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1h4b h ASP 68 CO 0.01 0.76 -1.03 0.15 -1.72 0.00 0.00 179.24 177.41 1h4b h PHE 69 N 1.19 0.88 -0.28 4.55 3.04 -0.88 -3.04 116.94 122.40 1h4b h PHE 69 Ca 0.32 -0.49 0.08 0.00 3.98 0.00 0.00 57.97 61.86 1h4b h PHE 69 Cb -0.10 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1h4b h PHE 69 CO 0.00 1.32 0.22 0.78 -2.02 0.00 0.00 178.31 178.61 1h4b h GLY 70 N 0.72 0.00 2.00 2.40 0.00 0.17 0.30 103.07 108.66 1h4b h GLY 70 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1h4b h GLY 70 CO 0.19 0.00 -0.50 3.21 0.00 0.00 0.00 176.54 179.44 1h4b h ARG 71 N 0.00 0.00 0.00 4.80 3.08 -1.19 0.47 114.38 121.55 1h4b h ARG 71 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1h4b h ARG 71 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1h4b h ARG 71 CO -0.00 0.50 -0.16 0.00 -1.07 0.00 0.00 179.97 179.24 1h4b h ALA 72 N 1.50 1.07 -1.01 0.04 0.00 -0.44 -3.32 119.26 117.09 1h4b h ALA 72 Ca -0.01 -0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.39 1h4b h ALA 72 Cb 0.91 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.38 1h4b h ALA 72 CO 0.07 0.21 -0.86 0.09 0.00 0.00 0.00 179.25 178.75 1h4b n ASN 73 N -3.39 -0.48 -0.21 0.00 3.02 -0.89 -4.94 115.26 108.37 1h4b n ASN 73 Ca -0.00 -3.19 0.28 0.00 -0.03 0.00 0.00 54.58 51.64 1h4b n ASN 73 Cb 0.36 0.44 0.70 0.00 -0.61 0.00 0.00 39.78 40.67 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 2.92 0.06 -0.06 3.52 3.08 -0.18 0.98 114.38 124.70 1h4b h ARG 74 Ca -0.02 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1h4b h ARG 74 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1h4b h ARG 74 CO 0.32 0.04 -0.23 0.78 -1.07 0.00 0.00 179.97 179.82 1h4b h GLY 75 N 0.06 0.11 0.94 0.04 0.00 -1.92 -2.15 103.07 100.16 1h4b h GLY 75 Ca 0.46 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 1h4b h GLY 75 CO -0.04 0.07 -0.03 1.41 0.00 0.00 0.00 176.54 177.95 1h4b h LEU 76 N 0.09 0.68 -1.23 3.11 3.38 0.67 -1.60 115.31 120.42 1h4b h LEU 76 Ca 0.02 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1h4b h LEU 76 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1h4b h LEU 76 CO 0.03 0.84 -0.31 -0.07 0.09 0.00 0.00 178.44 179.03 1h4b h LEU 77 N 0.51 0.00 -0.08 1.67 3.38 -1.37 0.28 115.31 119.70 1h4b h LEU 77 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1h4b h LEU 77 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1h4b h LEU 77 CO 0.02 0.31 -0.44 0.11 0.09 0.00 0.00 178.44 178.53 1h4b h LYS 78 N 0.00 0.00 0.05 1.13 1.57 -1.08 -2.47 116.57 115.77 1h4b h LYS 78 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1h4b h LYS 78 Cb 0.72 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1h4b h LYS 78 CO 0.04 0.44 -1.80 -0.25 -0.57 0.00 0.00 179.45 177.31 1h4b n ASP 79 N -3.23 1.99 -0.18 0.86 8.00 -0.63 -3.89 116.55 119.47 1h4b n ASP 79 Ca 0.02 0.28 -0.07 0.00 0.71 0.00 0.00 54.79 55.73 1h4b n ASP 79 Cb 0.70 -0.86 0.02 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 -0.48 1.16 -1.00 2.53 3.04 -0.57 -2.01 116.25 118.92 1h4b h VAL 80 Ca -0.44 -0.39 0.19 0.00 -1.01 0.00 0.00 66.70 65.05 1h4b h VAL 80 Cb 1.68 0.49 -0.10 0.00 -2.01 0.00 0.00 31.29 31.35 1h4b h VAL 80 CO -0.10 0.17 0.61 0.00 -1.01 0.00 0.00 177.57 177.24 1h4b h ALA 81 N 1.14 1.68 -0.11 3.17 0.00 -1.62 0.40 119.26 123.91 1h4b h ALA 81 Ca 0.18 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1h4b h ALA 81 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h4b h ALA 81 CO -0.03 -0.04 0.08 0.87 0.00 0.00 0.00 179.25 180.12 1h4b h LYS 82 N 0.77 0.10 -0.29 0.00 1.57 -1.47 -0.77 116.57 116.48 1h4b h LYS 82 Ca 0.57 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.36 1h4b h LYS 82 Cb 0.88 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1h4b h LYS 82 CO -0.37 0.07 0.20 0.82 -0.57 0.00 0.00 179.45 179.60 1h4b h ILE 83 N 0.11 1.03 -0.02 1.86 2.04 -0.16 -3.52 117.51 118.84 1h4b h ILE 83 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1h4b h ILE 83 Cb 0.05 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1h4b h ILE 83 CO -0.01 0.06 0.00 0.49 0.00 0.00 0.00 178.15 178.69