#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 0.16 -4.66 0.00 8.00 -1.26 -4.80 116.55 114.00 1h4b n ASP 2 Ca 0.00 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1h4b n ASP 2 Cb 0.00 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.88 6.67 0.43 -2.24 1.01 -1.26 -5.00 116.67 113.40 1h4b s ASP 3 Ca 0.17 2.15 0.07 0.00 0.71 0.00 0.00 52.55 55.65 1h4b s ASP 3 Cb 0.19 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1h4b s ASP 3 CO 0.55 -0.94 0.26 -1.38 0.21 0.00 0.00 175.17 173.87 1h4b s HIS 4 N 4.09 2.54 0.30 4.23 -3.43 -1.26 -5.01 115.29 116.75 1h4b s HIS 4 Ca 0.72 -0.58 0.31 0.00 -0.80 0.00 0.00 55.06 54.70 1h4b s HIS 4 Cb -0.32 -2.02 1.44 0.00 -1.43 0.00 0.00 32.58 30.25 1h4b s HIS 4 CO 0.28 0.03 2.03 -1.00 -2.00 0.00 0.00 174.74 174.08 1h4b h PRO 5 N 1.23 0.00 -0.41 -0.38 0.13 -2.02 -2.61 132.00 127.95 1h4b h PRO 5 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 1h4b h PRO 5 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 5 CO 0.65 0.09 0.04 1.96 -0.23 0.00 0.00 178.00 180.51 1h4b h GLN 6 N 0.00 0.63 -0.45 0.86 4.20 -2.00 -2.59 115.11 115.77 1h4b h GLN 6 Ca -0.00 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1h4b h GLN 6 Cb 0.43 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1h4b h GLN 6 CO 0.01 0.63 0.26 -0.44 -0.67 0.00 0.00 178.83 178.62 1h4b h ASP 7 N 0.61 0.41 -0.99 1.46 3.32 -1.87 -1.29 116.42 118.06 1h4b h ASP 7 Ca 0.13 0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.41 1h4b h ASP 7 Cb 0.32 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 1h4b h ASP 7 CO 0.01 0.29 0.63 0.11 -1.72 0.00 0.00 179.24 178.56 1h4b h LYS 8 N 0.52 0.52 -0.59 3.56 1.57 -1.58 0.33 116.57 120.90 1h4b h LYS 8 Ca 0.18 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1h4b h LYS 8 Cb 0.03 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 1h4b h LYS 8 CO -0.09 0.34 0.28 0.00 -0.57 0.00 0.00 179.45 179.41 1h4b h ALA 9 N 1.63 0.76 -0.31 3.86 0.00 -1.23 1.04 119.26 125.02 1h4b h ALA 9 Ca 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 1h4b h ALA 9 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1h4b h ALA 9 CO -0.31 -0.09 0.04 0.93 0.00 0.00 0.00 179.25 179.82 1h4b h GLU 10 N 0.52 0.52 -0.74 0.00 5.08 -0.36 -0.01 114.58 119.59 1h4b h GLU 10 Ca 0.27 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1h4b h GLU 10 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1h4b h GLU 10 CO -0.21 0.63 0.31 0.00 -1.00 0.00 0.00 179.01 178.73 1h4b h ARG 11 N 0.34 1.10 -0.46 2.33 3.08 -0.25 0.43 114.38 120.95 1h4b h ARG 11 Ca 0.09 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1h4b h ARG 11 Cb 0.37 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1h4b h ARG 11 CO 0.01 0.89 0.09 0.93 -1.07 0.00 0.00 179.97 180.82 1h4b h GLU 12 N 1.06 0.74 -0.55 0.04 5.08 0.13 0.57 114.58 121.66 1h4b h GLU 12 Ca 0.25 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1h4b h GLU 12 Cb 0.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1h4b h GLU 12 CO -0.02 0.75 0.02 0.00 -1.00 0.00 0.00 179.01 178.76 1h4b h ARG 13 N 0.61 0.95 -0.21 2.33 3.08 -0.68 0.45 114.38 120.90 1h4b h ARG 13 Ca 0.14 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1h4b h ARG 13 Cb 0.35 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h4b h ARG 13 CO 0.01 0.95 -0.21 0.82 -1.07 0.00 0.00 179.97 180.46 1h4b h ILE 14 N 0.83 1.32 -0.34 2.04 2.04 -0.68 -2.26 117.51 120.47 1h4b h ILE 14 Ca 0.16 -1.37 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 1h4b h ILE 14 Cb 0.50 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1h4b h ILE 14 CO 0.02 0.42 -0.18 0.15 0.00 0.00 0.00 178.15 178.56 1h4b h PHE 15 N 0.20 0.70 -0.18 1.37 3.04 0.28 -2.34 116.94 120.01 1h4b h PHE 15 Ca 0.03 -0.14 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 1h4b h PHE 15 Cb 0.76 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1h4b h PHE 15 CO 0.08 0.78 -0.09 0.87 -2.02 0.00 0.00 178.31 177.92 1h4b h LYS 16 N 0.57 0.28 -0.23 1.11 1.79 0.01 -1.24 116.57 118.86 1h4b h LYS 16 Ca 0.09 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 1h4b h LYS 16 Cb 0.63 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1h4b h LYS 16 CO 0.04 0.39 -0.52 0.00 -1.08 0.00 0.00 179.45 178.29 1h4b h ARG 17 N 0.27 0.65 -0.14 3.15 3.08 -0.89 -3.20 114.38 117.30 1h4b h ARG 17 Ca 0.06 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1h4b h ARG 17 Cb 0.34 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1h4b h ARG 17 CO 0.02 1.01 -0.07 0.74 -1.07 0.00 0.00 179.97 180.59 1h4b h PHE 18 N 0.50 0.35 -1.88 3.04 0.04 -1.00 -3.40 116.94 114.59 1h4b h PHE 18 Ca 0.02 -0.09 -0.51 0.00 2.80 0.00 0.00 57.97 60.19 1h4b h PHE 18 Cb 1.07 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 1h4b h PHE 18 CO 0.05 0.63 1.52 0.34 -0.60 0.00 0.00 178.31 180.25 1h4b s ASP 19 N -5.96 4.96 -0.02 2.17 2.15 -0.53 -4.47 116.67 114.97 1h4b s ASP 19 Ca -0.14 1.18 -0.25 0.00 0.43 0.00 0.00 52.55 53.76 1h4b s ASP 19 Cb 0.05 -2.51 -0.19 0.00 -0.30 0.00 0.00 42.92 39.97 1h4b s ASP 19 CO 0.73 -2.46 1.25 0.00 -0.17 0.00 0.00 175.17 174.52 1h4b h ALA 20 N 17.09 -0.07 0.02 3.66 0.00 -1.83 -3.32 119.26 134.81 1h4b h ALA 20 Ca -0.29 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1h4b h ALA 20 Cb 1.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1h4b h ALA 20 CO 1.11 -0.31 -1.48 -2.95 0.00 0.00 0.00 179.25 175.62 1h4b h ASN 21 N -0.53 0.06 -0.20 0.00 -1.07 -1.92 -3.48 115.58 108.45 1h4b h ASN 21 Ca -0.01 -0.10 0.00 0.00 0.07 0.00 0.00 56.30 56.26 1h4b h ASN 21 Cb 0.47 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.70 1h4b h ASN 21 CO 0.01 1.09 0.00 0.61 0.07 0.00 0.00 177.43 179.21 1h4b n GLY 22 N 1.52 1.17 0.68 9.14 0.00 -1.25 -4.97 105.19 111.48 1h4b n GLY 22 Ca -0.12 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.51 2.04 0.00 1.61 5.75 -1.26 -4.89 116.55 120.31 1h4b n ASP 23 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1h4b n ASP 23 Cb 0.15 -0.12 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 1.21 0.83 3.09 6.12 0.00 -1.26 -5.04 105.19 110.14 1h4b n GLY 24 Ca 0.17 0.00 -0.19 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 -0.69 0.88 -0.11 1.61 -2.85 -1.26 -3.77 119.74 113.54 1h4b s LYS 25 Ca 0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1h4b s LYS 25 Cb 0.00 -0.85 -0.02 0.00 -2.06 0.00 0.00 37.83 34.90 1h4b s LYS 25 CO 0.00 0.22 -0.09 0.42 0.10 0.00 0.00 175.35 176.00 1h4b s ILE 26 N -0.57 3.42 0.38 3.79 1.01 -0.56 -4.81 121.20 123.86 1h4b s ILE 26 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1h4b s ILE 26 Cb -0.06 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1h4b s ILE 26 CO 0.00 0.54 0.34 -0.94 0.00 0.00 0.00 174.94 174.89 1h4b s SER 27 N -0.06 5.14 0.23 3.58 1.04 -1.26 -1.74 113.70 120.62 1h4b s SER 27 Ca -0.01 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 1h4b s SER 27 Cb -0.14 -0.73 0.38 0.00 0.10 0.00 0.00 66.02 65.63 1h4b s SER 27 CO 0.03 -0.53 1.69 0.00 0.98 0.00 0.00 173.24 175.42 1h4b h ALA 28 N 1.12 0.83 -0.93 5.32 0.00 -1.93 0.84 119.26 124.50 1h4b h ALA 28 Ca -0.43 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1h4b h ALA 28 Cb 1.26 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1h4b h ALA 28 CO 0.58 -0.32 0.58 0.00 0.00 0.00 0.00 179.25 180.09 1h4b h ALA 29 N 1.55 1.33 0.11 0.00 0.00 -1.96 2.08 119.26 122.37 1h4b h ALA 29 Ca 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1h4b h ALA 29 Cb 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h4b h ALA 29 CO -0.46 0.29 -0.05 0.93 0.00 0.00 0.00 179.25 179.96 1h4b h GLU 30 N 1.02 -0.14 -0.47 0.00 5.08 -0.79 0.61 114.58 119.88 1h4b h GLU 30 Ca 0.43 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1h4b h GLU 30 Cb 0.27 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1h4b h GLU 30 CO -0.21 0.33 0.30 1.25 -1.00 0.00 0.00 179.01 179.68 1h4b h LEU 31 N -0.91 0.55 -0.40 1.33 6.46 0.73 -0.45 115.31 122.62 1h4b h LEU 31 Ca -0.01 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1h4b h LEU 31 Cb 0.53 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1h4b h LEU 31 CO 0.02 0.41 0.16 1.23 -0.62 0.00 0.00 178.44 179.65 1h4b h GLY 32 N 0.63 0.64 0.72 3.75 0.00 0.33 0.48 103.07 109.62 1h4b h GLY 32 Ca 0.17 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.21 1h4b h GLY 32 CO -0.03 0.33 0.45 0.83 0.00 0.00 0.00 176.54 178.12 1h4b h GLU 33 N 0.50 0.81 -0.18 4.80 5.08 -0.36 0.19 114.58 125.42 1h4b h GLU 33 Ca 0.13 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 1h4b h GLU 33 Cb 0.19 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1h4b h GLU 33 CO -0.01 0.54 -0.74 0.00 -1.00 0.00 0.00 179.01 177.79 1h4b h ALA 34 N 1.37 0.34 -0.37 3.43 0.00 -0.73 -3.01 119.26 120.29 1h4b h ALA 34 Ca 0.33 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1h4b h ALA 34 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h4b h ALA 34 CO -0.17 0.68 0.24 -0.07 0.00 0.00 0.00 179.25 179.94 1h4b h LEU 35 N 0.57 0.34 -1.50 0.00 3.38 0.90 -1.44 115.31 117.56 1h4b h LEU 35 Ca -0.04 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.20 1h4b h LEU 35 Cb 1.37 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1h4b h LEU 35 CO 0.15 0.24 0.98 0.11 0.09 0.00 0.00 178.44 180.01 1h4b h LYS 36 N 0.40 0.00 -0.38 1.13 1.57 -0.53 0.82 116.57 119.59 1h4b h LYS 36 Ca 0.15 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 1h4b h LYS 36 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1h4b h LYS 36 CO -0.03 0.00 0.43 0.00 -0.57 0.00 0.00 179.45 179.27 1h4b h THR 37 N 0.00 0.36 -0.22 -0.16 1.03 -1.44 0.37 112.91 112.86 1h4b h THR 37 Ca 0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.84 1h4b h THR 37 Cb 2.40 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 1h4b h THR 37 CO -0.00 0.00 0.07 -0.07 -0.01 0.00 0.00 175.52 175.51 1h4b h LEU 38 N 0.00 0.27 0.00 0.00 3.38 0.45 -3.45 115.31 115.96 1h4b h LEU 38 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1h4b h LEU 38 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1h4b h LEU 38 CO -0.00 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1h4b n GLY 39 N -1.31 0.14 2.69 0.83 0.00 0.13 -4.75 105.19 102.91 1h4b n GLY 39 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.72 -1.39 -3.67 1.61 7.64 -1.26 -5.13 113.62 110.70 1h4b n SER 40 Ca 0.00 -2.65 -0.17 0.00 1.01 0.00 0.00 58.87 57.06 1h4b n SER 40 Cb 0.36 0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 64.32 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 -0.35 0.00 0.29 0.44 2.07 -1.26 -5.18 121.20 117.21 1h4b s ILE 41 Ca 0.23 -2.00 0.04 0.00 -1.41 0.00 0.00 60.65 57.52 1h4b s ILE 41 Cb 0.40 -2.50 -0.06 0.00 0.13 0.00 0.00 42.46 40.43 1h4b s ILE 41 CO -0.07 0.00 0.01 0.42 -1.91 0.00 0.00 174.94 173.39 1h4b s THR 42 N -3.71 1.28 0.26 4.00 -4.23 -1.26 -5.04 115.64 106.94 1h4b s THR 42 Ca 0.40 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1h4b s THR 42 Cb 0.04 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1h4b s THR 42 CO 0.22 -0.17 1.65 1.55 -0.54 0.00 0.00 174.62 177.33 1h4b h PRO 43 N 2.25 0.43 0.00 3.99 0.13 -1.99 -2.68 132.00 134.13 1h4b h PRO 43 Ca -0.40 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.75 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.67 1h4b h ASP 44 N 0.36 0.00 0.33 1.44 3.32 -1.99 0.72 116.42 120.60 1h4b h ASP 44 Ca 0.04 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 44 Cb 0.83 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.41 1h4b h ASP 44 CO 0.07 0.08 -1.48 -0.33 -1.72 0.00 0.00 179.24 175.87 1h4b h GLU 45 N 0.00 0.46 -0.54 3.56 5.08 -1.90 -2.57 114.58 118.67 1h4b h GLU 45 Ca -0.00 -0.79 -0.05 0.00 -1.00 0.00 0.00 59.36 57.52 1h4b h GLU 45 Cb 0.16 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1h4b h GLU 45 CO 0.01 1.37 0.13 0.28 -1.00 0.00 0.00 179.01 179.80 1h4b h VAL 46 N 0.13 1.22 -0.27 3.13 2.07 -1.07 0.07 116.25 121.53 1h4b h VAL 46 Ca -0.25 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.31 1h4b h VAL 46 Cb 2.12 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1h4b h VAL 46 CO 0.25 0.30 -0.46 0.11 0.02 0.00 0.00 177.57 177.79 1h4b h LYS 47 N 0.80 0.69 -0.42 1.57 1.57 -0.92 -2.60 116.57 117.26 1h4b h LYS 47 Ca 0.18 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1h4b h LYS 47 Cb 0.29 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1h4b h LYS 47 CO -0.00 1.00 -0.19 1.25 -0.57 0.00 0.00 179.45 180.94 1h4b h HIS 48 N 0.55 0.91 -0.31 -1.35 2.76 -0.98 -1.36 115.15 115.37 1h4b h HIS 48 Ca 0.03 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1h4b h HIS 48 Cb 1.00 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 1h4b h HIS 48 CO 0.05 0.93 0.18 0.52 -1.30 0.00 0.00 177.93 178.31 1h4b h MET 49 N 0.71 0.42 -0.21 5.26 2.86 -0.83 -1.08 114.93 122.06 1h4b h MET 49 Ca 0.10 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1h4b h MET 49 Cb 0.70 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1h4b h MET 49 CO 0.05 0.33 0.11 0.52 1.06 0.00 0.00 176.91 178.98 1h4b h MET 50 N 0.39 0.30 0.00 1.72 2.07 -1.28 0.70 114.93 118.83 1h4b h MET 50 Ca 0.11 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1h4b h MET 50 Cb 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.69 1h4b h MET 50 CO -0.02 0.29 0.05 0.00 1.07 0.00 0.00 176.91 178.29 1h4b h ALA 51 N 1.00 1.05 0.02 6.32 0.00 -0.90 1.51 119.26 128.25 1h4b h ALA 51 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 1h4b h ALA 51 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1h4b h ALA 51 CO -0.01 -0.05 -2.28 0.39 0.00 0.00 0.00 179.25 177.30 1h4b n GLU 52 N -2.99 0.68 0.06 0.00 1.02 -0.35 -4.36 120.64 114.71 1h4b n GLU 52 Ca -0.03 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 1h4b n GLU 52 Cb 0.11 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.46 -1.59 -3.67 2.04 0.13 -3.43 117.51 112.47 1h4b h ILE 53 Ca -0.51 -3.13 -0.48 0.00 1.00 0.00 0.00 64.86 61.74 1h4b h ILE 53 Cb 2.04 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.94 1h4b h ILE 53 CO -0.00 0.87 1.62 -0.67 0.00 0.00 0.00 178.15 179.97 1h4b n ASP 54 N -3.39 2.36 -0.06 1.72 -0.08 0.51 -4.80 116.55 112.80 1h4b n ASP 54 Ca -0.07 -0.39 -0.13 0.00 -1.51 0.00 0.00 54.79 52.69 1h4b n ASP 54 Cb 1.00 -1.56 -0.07 0.00 2.34 0.00 0.00 41.12 42.83 1h4b n ASP 54 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1h4b h THR 55 N 7.65 1.34 0.13 5.18 1.35 -1.87 -3.32 112.91 123.37 1h4b h THR 55 Ca -0.25 -1.28 -0.34 0.00 -0.55 0.00 0.00 66.41 63.99 1h4b h THR 55 Cb 1.27 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1h4b h THR 55 CO 1.14 0.38 -1.80 -2.24 -0.25 0.00 0.00 175.52 172.75 1h4b h ASP 56 N 0.00 0.44 0.00 5.36 2.03 -1.92 -3.49 116.42 118.85 1h4b h ASP 56 Ca 0.03 -0.77 0.00 0.00 -0.73 0.00 0.00 57.03 55.55 1h4b h ASP 56 Cb 0.66 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1h4b h ASP 56 CO 0.03 1.67 0.00 0.61 -1.03 0.00 0.00 179.24 180.53 1h4b n GLY 57 N 1.84 1.80 0.00 7.15 0.00 -1.25 -4.97 105.19 109.77 1h4b n GLY 57 Ca -0.25 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 1h4b n ASP 58 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.05 0.35 3.16 6.12 0.00 -1.26 -5.06 105.19 109.56 1h4b n GLY 59 Ca 0.20 0.00 -0.12 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 -2.09 0.94 -0.17 1.61 0.08 -1.26 -4.42 117.98 112.68 1h4b s PHE 60 Ca 0.00 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.23 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 -0.08 -0.02 0.42 -0.10 0.00 0.00 175.22 175.44 1h4b s ILE 61 N -3.00 3.96 0.52 0.64 -1.09 -0.71 -4.77 121.20 116.76 1h4b s ILE 61 Ca 0.08 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1h4b s ILE 61 Cb 0.01 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.16 1h4b s ILE 61 CO -0.02 0.47 0.73 -0.44 -1.23 0.00 0.00 174.94 174.45 1h4b s SER 62 N 0.57 5.39 0.22 3.58 0.01 -1.26 -1.50 113.70 120.71 1h4b s SER 62 Ca -0.02 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 1h4b s SER 62 Cb -0.14 -0.88 0.30 0.00 0.21 0.00 0.00 66.02 65.51 1h4b s SER 62 CO 0.02 -1.04 1.81 0.15 0.41 0.00 0.00 173.24 174.60 1h4b h PHE 63 N 0.20 0.78 -0.44 2.43 3.57 -1.98 0.23 116.94 121.74 1h4b h PHE 63 Ca -0.42 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1h4b h PHE 63 Cb 1.29 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1h4b h PHE 63 CO 0.38 0.36 0.20 0.37 -2.23 0.00 0.00 178.31 177.39 1h4b h GLN 64 N 0.76 0.64 -0.22 1.11 5.75 -1.93 0.13 115.11 121.34 1h4b h GLN 64 Ca 0.34 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1h4b h GLN 64 Cb 0.23 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1h4b h GLN 64 CO -0.20 0.55 0.11 0.93 -2.65 0.00 0.00 178.83 177.57 1h4b h GLU 65 N 0.57 0.32 -0.52 1.69 5.08 -1.62 0.75 114.58 120.85 1h4b h GLU 65 Ca 0.15 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1h4b h GLU 65 Cb 0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1h4b h GLU 65 CO -0.02 0.32 0.18 0.35 -1.00 0.00 0.00 179.01 178.85 1h4b h PHE 66 N 0.24 0.76 -0.14 4.33 3.04 -0.34 -1.25 116.94 123.58 1h4b h PHE 66 Ca 0.08 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1h4b h PHE 66 Cb 0.10 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 1h4b h PHE 66 CO -0.03 0.60 -0.07 1.15 -2.02 0.00 0.00 178.31 177.95 1h4b h THR 67 N 0.74 1.32 -0.72 4.41 2.02 -0.24 0.41 112.91 120.85 1h4b h THR 67 Ca 0.17 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1h4b h THR 67 Cb 0.18 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1h4b h THR 67 CO -0.01 0.32 0.47 0.44 0.37 0.00 0.00 175.52 177.11 1h4b h ASP 68 N -0.06 0.75 0.36 4.18 3.32 -0.53 -1.41 116.42 123.04 1h4b h ASP 68 Ca 0.03 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.82 1h4b h ASP 68 Cb 0.53 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1h4b h ASP 68 CO 0.02 0.52 -1.08 0.15 -1.72 0.00 0.00 179.24 177.13 1h4b h PHE 69 N 0.88 0.67 -0.24 4.55 3.04 -1.05 -3.11 116.94 121.68 1h4b h PHE 69 Ca 0.28 -0.41 0.06 0.00 3.98 0.00 0.00 57.97 61.88 1h4b h PHE 69 Cb 0.04 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1h4b h PHE 69 CO -0.00 1.25 0.17 0.78 -2.02 0.00 0.00 178.31 178.49 1h4b h GLY 70 N 1.12 0.07 1.93 2.40 0.00 0.85 0.14 103.07 109.59 1h4b h GLY 70 Ca -0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1h4b h GLY 70 CO 0.19 0.02 -0.45 3.21 0.00 0.00 0.00 176.54 179.51 1h4b h ARG 71 N 0.06 0.07 0.00 4.80 3.08 -1.27 0.61 114.38 121.74 1h4b h ARG 71 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1h4b h ARG 71 Cb 0.36 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1h4b h ARG 71 CO -0.01 0.51 -0.08 0.00 -1.07 0.00 0.00 179.97 179.32 1h4b h ALA 72 N 1.49 1.03 -0.80 0.04 0.00 -0.76 -3.32 119.26 116.94 1h4b h ALA 72 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 1h4b h ALA 72 Cb 0.82 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.33 1h4b h ALA 72 CO 0.06 0.10 -0.78 0.09 0.00 0.00 0.00 179.25 178.72 1h4b n ASN 73 N -3.24 -0.70 -0.32 0.00 3.02 -0.82 -4.95 115.26 108.25 1h4b n ASN 73 Ca 0.00 -3.14 0.21 0.00 -0.03 0.00 0.00 54.58 51.62 1h4b n ASN 73 Cb 0.33 0.60 0.48 0.00 -0.61 0.00 0.00 39.78 40.58 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 2.84 0.43 -0.04 3.52 0.11 0.09 1.19 114.38 122.53 1h4b h ARG 74 Ca -0.06 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.99 1h4b h ARG 74 Cb 1.10 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.08 1h4b h ARG 74 CO 0.27 0.29 0.01 0.78 0.10 0.00 0.00 179.97 181.42 1h4b h GLY 75 N 0.44 0.05 0.82 0.08 0.00 -1.93 -2.03 103.07 100.51 1h4b h GLY 75 Ca 0.59 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 1h4b h GLY 75 CO -0.32 0.02 -0.10 1.41 0.00 0.00 0.00 176.54 177.55 1h4b h LEU 76 N 0.05 0.46 -2.10 3.11 3.38 0.11 -2.62 115.31 117.71 1h4b h LEU 76 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1h4b h LEU 76 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h4b h LEU 76 CO -0.00 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.23 1h4b h LEU 77 N 0.15 0.00 -0.07 1.67 3.38 -1.19 -1.22 115.31 118.03 1h4b h LEU 77 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1h4b h LEU 77 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1h4b h LEU 77 CO 0.03 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.57 1h4b h LYS 78 N 0.00 0.00 0.14 1.13 1.57 -1.05 -1.99 116.57 116.38 1h4b h LYS 78 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1h4b h LYS 78 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1h4b h LYS 78 CO 0.00 0.10 -1.84 -0.44 -0.57 0.00 0.00 179.45 176.70 1h4b h ASP 79 N 0.00 0.48 -0.12 0.86 3.32 -1.10 -3.34 116.42 116.52 1h4b h ASP 79 Ca -0.00 -0.93 -0.19 0.00 0.02 0.00 0.00 57.03 55.93 1h4b h ASP 79 Cb 1.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1h4b h ASP 79 CO 0.01 1.81 -0.62 1.62 -1.72 0.00 0.00 179.24 180.34 1h4b h VAL 80 N 0.02 1.30 0.00 -1.35 3.04 -1.53 -2.66 116.25 115.07 1h4b h VAL 80 Ca -0.38 -1.84 0.00 0.00 -1.01 0.00 0.00 66.70 63.46 1h4b h VAL 80 Cb 2.02 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 33.08 1h4b h VAL 80 CO 0.11 0.59 0.01 0.00 -1.01 0.00 0.00 177.57 177.26 1h4b n ALA 81 N -2.56 1.03 -0.09 3.17 0.00 -0.75 -1.20 120.51 120.12 1h4b n ALA 81 Ca -0.05 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 1h4b n ALA 81 Cb 0.66 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 1h4b n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h4b n LYS 82 N -2.25 0.68 0.05 0.00 5.02 -1.03 -4.17 118.16 116.46 1h4b n LYS 82 Ca -0.01 0.05 0.17 0.00 -2.02 0.00 0.00 58.31 56.50 1h4b n LYS 82 Cb 0.04 -1.57 0.66 0.00 -0.02 0.00 0.00 35.03 34.14 1h4b n LYS 82 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h4b h ILE 83 N 0.00 0.81 -0.03 -0.18 2.04 -0.86 -3.52 117.51 115.77 1h4b h ILE 83 Ca -0.50 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1h4b h ILE 83 Cb 2.19 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1h4b h ILE 83 CO 0.03 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.68