#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhl n GLY 3 N 0.00 0.47 3.61 1.09 0.00 -1.21 -5.06 105.19 104.09 3hhl n GLY 3 Ca 0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 3hhl n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhl s HIS 4 N 0.64 3.26 -0.10 1.61 0.09 -1.26 -4.87 115.29 114.65 3hhl s HIS 4 Ca 0.00 0.20 -0.02 0.00 -0.00 0.00 0.00 55.06 55.24 3hhl s HIS 4 Cb 0.00 -2.37 -0.06 0.00 -0.00 0.00 0.00 32.58 30.15 3hhl s HIS 4 CO 0.00 -0.10 -0.11 -0.89 -0.00 0.00 0.00 174.74 173.64 3hhl n ILE 5 N 4.82 0.58 -4.38 0.60 5.41 -1.26 -1.58 119.36 123.55 3hhl n ILE 5 Ca -0.13 -0.19 -0.22 0.00 1.00 0.00 0.00 62.75 63.20 3hhl n ILE 5 Cb 0.52 -1.15 -0.11 0.00 -0.71 0.00 0.00 39.64 38.19 3hhl n ILE 5 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3hhl s ASP 6 N -5.35 2.96 0.43 4.38 1.01 -1.26 -4.97 116.67 113.88 3hhl s ASP 6 Ca -0.14 -0.95 -0.22 0.00 0.71 0.00 0.00 52.55 51.94 3hhl s ASP 6 Cb 0.04 -0.20 -0.09 0.00 1.01 0.00 0.00 42.92 43.68 3hhl s ASP 6 CO 0.21 -0.04 1.02 -2.16 0.21 0.00 0.00 175.17 174.42 3hhl s PRO 7 N -3.22 4.05 0.58 8.23 0.04 -1.26 -5.05 135.00 138.38 3hhl s PRO 7 Ca 0.22 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3hhl s PRO 7 Cb -0.04 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3hhl s PRO 7 CO 0.09 -0.21 0.99 0.95 0.04 0.00 0.00 177.00 178.86 3hhl s THR 8 N -1.86 4.70 0.27 1.26 -4.23 -1.26 -4.93 115.64 109.59 3hhl s THR 8 Ca 0.62 0.88 0.05 0.00 -1.18 0.00 0.00 61.69 62.06 3hhl s THR 8 Cb -0.18 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.84 3hhl s THR 8 CO 0.22 -1.02 1.66 0.07 -0.54 0.00 0.00 174.62 175.00 3hhl h LYS 9 N -0.00 0.26 -0.16 3.99 2.10 -1.99 -1.36 116.57 119.41 3hhl h LYS 9 Ca -0.45 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.06 3hhl h LYS 9 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3hhl h LYS 9 CO 0.62 0.68 0.08 0.93 -2.00 0.00 0.00 179.45 179.76 3hhl h GLU 10 N 0.22 0.22 -0.21 0.07 3.07 -2.00 -1.56 114.58 114.39 3hhl h GLU 10 Ca 0.01 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 3hhl h GLU 10 Cb 0.90 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3hhl h GLU 10 CO 0.07 0.24 -0.44 0.28 -1.40 0.00 0.00 179.01 177.77 3hhl h VAL 11 N 0.14 1.31 -0.10 3.13 2.07 -1.90 -2.27 116.25 118.63 3hhl h VAL 11 Ca 0.05 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.88 3hhl h VAL 11 Cb 0.09 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hhl h VAL 11 CO -0.01 0.51 -0.23 0.15 0.02 0.00 0.00 177.57 178.01 3hhl h PHE 12 N 0.42 0.19 -0.12 1.57 3.57 -1.13 -1.76 116.94 119.67 3hhl h PHE 12 Ca 0.03 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hhl h PHE 12 Cb 0.94 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3hhl h PHE 12 CO 0.03 0.40 0.08 0.00 -2.23 0.00 0.00 178.31 176.59 3hhl h ALA 13 N 1.61 0.15 -0.95 2.41 0.00 -0.81 -1.70 119.26 119.96 3hhl h ALA 13 Ca 0.03 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.08 3hhl h ALA 13 Cb 0.50 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3hhl h ALA 13 CO 0.03 -0.35 0.60 1.96 0.00 0.00 0.00 179.25 181.50 3hhl h GLN 14 N 0.15 0.71 0.30 0.00 4.20 -0.99 0.15 115.11 119.63 3hhl h GLN 14 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3hhl h GLN 14 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3hhl h GLN 14 CO -0.01 0.47 -0.14 0.35 -0.67 0.00 0.00 178.83 178.83 3hhl h PHE 15 N 0.74 -0.37 -0.62 2.96 3.57 -0.87 -2.59 116.94 119.75 3hhl h PHE 15 Ca 0.50 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 62.02 3hhl h PHE 15 Cb 0.80 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3hhl h PHE 15 CO -0.00 -0.11 0.41 0.00 -2.23 0.00 0.00 178.31 176.38 3hhl h ARG 16 N -0.59 0.74 -0.37 1.11 3.08 -0.98 -2.73 114.38 114.63 3hhl h ARG 16 Ca -0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3hhl h ARG 16 Cb 0.43 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3hhl h ARG 16 CO 0.07 0.49 -0.00 0.00 -1.07 0.00 0.00 179.97 179.45 3hhl h ALA 17 N 1.63 1.32 -2.05 0.04 0.00 -0.43 -3.31 119.26 116.46 3hhl h ALA 17 Ca 0.24 -0.21 -0.75 0.00 0.00 0.00 0.00 54.91 54.19 3hhl h ALA 17 Cb 0.03 -0.16 -0.21 0.00 0.00 0.00 0.00 17.79 17.46 3hhl h ALA 17 CO -0.06 0.47 0.93 1.21 0.00 0.00 0.00 179.25 181.79 3hhl s ASN 18 N -6.72 7.03 -0.39 0.00 2.47 -1.00 -4.83 114.94 111.51 3hhl s ASN 18 Ca -0.08 -2.96 0.06 0.00 0.42 0.00 0.00 52.86 50.30 3hhl s ASN 18 Cb 0.15 -2.34 0.54 0.00 -1.45 0.00 0.00 41.25 38.15 3hhl s ASN 18 CO 0.77 -0.67 1.64 -0.90 -3.72 0.00 0.00 177.10 174.22 3hhl n ASP 19 N 4.92 3.79 -4.72 -4.21 5.75 -1.25 -4.96 116.55 115.88 3hhl n ASP 19 Ca 0.29 -3.74 -0.41 0.00 -0.01 0.00 0.00 54.79 50.92 3hhl n ASP 19 Cb 0.43 -0.71 0.01 0.00 -1.03 0.00 0.00 41.12 39.82 3hhl n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3hhl n ARG 20 N -1.06 2.05 -1.91 0.11 0.00 -1.26 -4.91 116.66 109.67 3hhl n ARG 20 Ca 0.46 0.73 -0.41 0.00 -0.00 0.00 0.00 57.85 58.62 3hhl n ARG 20 Cb 1.15 -2.45 -0.02 0.00 -0.00 0.00 0.00 32.46 31.15 3hhl n ARG 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3hhl s GLU 21 N -2.23 4.20 0.00 2.89 2.12 -1.26 -4.78 118.70 119.64 3hhl s GLU 21 Ca 0.60 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.36 3hhl s GLU 21 Cb -0.50 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 30.85 3hhl s GLU 21 CO 0.58 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 3hhl n GLY 22 N 1.54 4.19 3.70 -1.50 0.00 -1.26 -5.10 105.19 106.76 3hhl n GLY 22 Ca 0.05 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 3hhl n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hhl s PRO 23 N -3.35 1.61 -0.00 1.61 0.01 -1.23 -4.29 135.00 129.35 3hhl s PRO 23 Ca 0.00 1.69 0.08 0.00 0.01 0.00 0.00 61.00 62.78 3hhl s PRO 23 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 34.50 32.71 3hhl s PRO 23 CO 0.00 -2.22 -0.25 0.96 0.01 0.00 0.00 177.00 175.49 3hhl s ILE 24 N -2.26 2.00 0.00 2.83 -4.36 -0.61 -4.51 121.20 114.29 3hhl s ILE 24 Ca 0.71 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.96 3hhl s ILE 24 Cb -0.27 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.77 3hhl s ILE 24 CO 0.51 0.50 0.00 1.41 0.24 0.00 0.00 174.94 177.61 3hhl n HIS 25 N 2.29 -1.06 -3.39 1.37 8.25 0.10 -1.57 115.22 121.20 3hhl n HIS 25 Ca -0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.32 3hhl n HIS 25 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3hhl n HIS 25 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hhl s LEU 27 N 0.00 -1.00 -0.24 2.41 2.96 -0.30 -0.28 118.68 122.23 3hhl s LEU 27 Ca 0.00 1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.87 3hhl s LEU 27 Cb 0.00 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 48.66 3hhl s LEU 27 CO 0.00 -0.19 0.09 0.20 -1.32 0.00 0.00 176.35 175.14 3hhl s ASN 28 N 2.79 5.48 -0.26 3.68 0.01 0.98 -0.89 114.94 126.73 3hhl s ASN 28 Ca 0.03 -0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.05 3hhl s ASN 28 Cb -0.11 -1.98 0.00 0.00 0.41 0.00 0.00 41.25 39.57 3hhl s ASN 28 CO -0.18 0.02 0.02 -0.76 -1.51 0.00 0.00 177.10 174.69 3hhl s LEU 29 N 1.28 3.41 -0.10 0.60 1.43 -0.08 -2.25 118.68 122.97 3hhl s LEU 29 Ca 0.05 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3hhl s LEU 29 Cb -0.15 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3hhl s LEU 29 CO 0.04 -0.11 -0.11 -0.69 0.23 0.00 0.00 176.35 175.71 3hhl s VAL 30 N 1.47 1.21 -0.24 -1.59 1.01 0.55 -0.47 120.40 122.34 3hhl s VAL 30 Ca 0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3hhl s VAL 30 Cb -0.16 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3hhl s VAL 30 CO -0.00 0.39 0.06 -0.60 0.00 0.00 0.00 175.10 174.94 3hhl s ARG 31 N 1.20 3.64 0.20 2.72 3.52 -0.18 0.20 118.95 130.25 3hhl s ARG 31 Ca -0.04 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.01 3hhl s ARG 31 Cb -0.14 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3hhl s ARG 31 CO -0.03 -0.17 0.46 -0.51 -0.81 0.00 0.00 175.30 174.24 3hhl s LEU 32 N 1.56 4.20 0.39 -0.88 1.43 -1.26 -0.75 118.68 123.37 3hhl s LEU 32 Ca 0.06 0.72 -0.26 0.00 -1.03 0.00 0.00 54.13 53.62 3hhl s LEU 32 Cb -0.15 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 3hhl s LEU 32 CO 0.03 -0.03 1.19 -0.13 0.23 0.00 0.00 176.35 177.63 3hhl s ARG 33 N -2.88 4.09 0.15 1.70 0.52 0.22 -4.61 118.95 118.14 3hhl s ARG 33 Ca 0.44 1.89 -0.17 0.00 -0.52 0.00 0.00 55.73 57.36 3hhl s ARG 33 Cb -0.12 -2.73 0.06 0.00 0.52 0.00 0.00 34.95 32.68 3hhl s ARG 33 CO 0.24 -0.31 1.70 -1.35 0.02 0.00 0.00 175.30 175.61 3hhl h PRO 34 N 2.73 0.07 -5.17 3.54 0.11 -1.97 -2.41 132.00 128.90 3hhl h PRO 34 Ca -0.49 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.95 3hhl h PRO 34 Cb 1.23 -0.02 -0.34 0.00 0.11 0.00 0.00 31.00 31.99 3hhl h PRO 34 CO 0.63 0.04 -0.86 0.50 -0.21 0.00 0.00 178.00 178.10 3hhl s ARG 35 N -6.19 3.03 0.26 1.05 6.06 -1.26 -2.50 118.95 119.40 3hhl s ARG 35 Ca -0.13 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 51.95 3hhl s ARG 35 Cb 0.13 -2.49 -0.11 0.00 0.06 0.00 0.00 34.95 32.54 3hhl s ARG 35 CO 0.70 -0.06 1.61 0.00 -2.50 0.00 0.00 175.30 175.06 3hhl s ALA 36 N 0.93 3.79 -1.11 6.12 0.00 -0.26 -4.67 121.76 126.56 3hhl s ALA 36 Ca -0.04 1.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 3hhl s ALA 36 Cb -0.15 -3.65 0.29 0.00 0.00 0.00 0.00 23.12 19.61 3hhl s ALA 36 CO -0.04 -0.94 1.33 0.00 0.00 0.00 0.00 175.76 176.11 3hhl n ALA 37 N 2.74 4.75 -1.89 0.00 0.00 0.07 -4.72 120.51 121.46 3hhl n ALA 37 Ca 0.10 -4.72 -0.32 0.00 0.00 0.00 0.00 53.44 48.49 3hhl n ALA 37 Cb 0.37 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 3hhl n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hhl s TYR 38 N -1.98 3.39 0.09 0.00 1.51 -1.26 -4.34 117.35 114.76 3hhl s TYR 38 Ca 0.31 1.47 -0.34 0.00 -1.01 0.00 0.00 57.07 57.51 3hhl s TYR 38 Cb -0.02 -2.77 -0.15 0.00 -0.11 0.00 0.00 41.96 38.91 3hhl s TYR 38 CO 0.02 -0.20 1.59 -1.35 -1.11 0.00 0.00 175.55 174.50 3hhl h PRO 39 N 1.46 -0.86 -6.48 -1.71 0.11 -1.97 -3.33 132.00 119.22 3hhl h PRO 39 Ca -0.48 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.14 3hhl h PRO 39 Cb 1.18 0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 3hhl h PRO 39 CO 0.62 -0.58 1.08 0.16 -0.21 0.00 0.00 178.00 179.07 3hhl s ASP 40 N -4.45 6.24 0.00 -2.05 1.47 -1.26 -4.87 116.67 111.74 3hhl s ASP 40 Ca -0.18 0.53 -0.02 0.00 1.18 0.00 0.00 52.55 54.07 3hhl s ASP 40 Cb 0.05 -2.54 -0.09 0.00 -0.34 0.00 0.00 42.92 39.99 3hhl s ASP 40 CO 0.62 -1.57 1.76 0.61 0.68 0.00 0.00 175.17 177.27 3hhl n GLY 41 N 5.16 1.87 3.60 2.12 0.00 -1.25 -4.88 105.19 111.81 3hhl n GLY 41 Ca 0.14 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3hhl n GLY 41 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hhl n ARG 42 N 2.40 0.84 -3.47 1.61 1.85 -1.26 -4.93 116.66 113.71 3hhl n ARG 42 Ca 0.15 0.33 -0.41 0.00 -1.00 0.00 0.00 57.85 56.92 3hhl n ARG 42 Cb 0.41 -2.12 -0.10 0.00 -1.05 0.00 0.00 32.46 29.60 3hhl n ARG 42 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3hhl s GLU 43 N -2.70 3.42 0.18 2.89 2.56 -1.26 -4.71 118.70 119.09 3hhl s GLU 43 Ca 0.75 -0.63 -0.18 0.00 0.00 0.00 0.00 54.97 54.92 3hhl s GLU 43 Cb -0.42 -3.84 0.03 0.00 2.00 0.00 0.00 34.13 31.90 3hhl s GLU 43 CO 0.48 -0.54 0.51 -0.08 -0.56 0.00 0.00 175.26 175.07 3hhl s THR 44 N 1.84 0.03 0.56 -1.70 -1.32 -1.26 -5.07 115.64 108.72 3hhl s THR 44 Ca 0.08 -0.68 -0.15 0.00 -1.21 0.00 0.00 61.69 59.73 3hhl s THR 44 Cb -0.17 -1.46 -0.06 0.00 -1.51 0.00 0.00 72.50 69.29 3hhl s THR 44 CO 0.11 -0.14 1.01 0.42 -2.21 0.00 0.00 174.62 173.81 3hhl s THR 45 N -3.85 4.45 0.24 5.08 -4.23 -1.26 -1.10 115.64 114.97 3hhl s THR 45 Ca 0.08 1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.58 3hhl s THR 45 Cb -0.01 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 70.36 3hhl s THR 45 CO -0.05 -0.79 1.69 1.23 -0.54 0.00 0.00 174.62 176.17 3hhl h GLY 46 N 0.46 0.98 0.74 3.99 0.00 -1.12 -1.96 103.07 106.16 3hhl h GLY 46 Ca -0.46 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 46.87 3hhl h GLY 46 CO 0.61 -0.17 0.36 0.00 0.00 0.00 0.00 176.54 177.34 3hhl h ALA 47 N 1.57 0.83 -0.39 3.60 0.00 -1.86 0.13 119.26 123.14 3hhl h ALA 47 Ca 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3hhl h ALA 47 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hhl h ALA 47 CO -0.47 0.05 0.12 0.93 0.00 0.00 0.00 179.25 179.87 3hhl h GLU 48 N 0.67 0.62 -0.55 0.00 5.08 -1.77 -0.78 114.58 117.86 3hhl h GLU 48 Ca 0.27 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3hhl h GLU 48 Cb 0.13 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hhl h GLU 48 CO -0.16 0.63 -0.00 0.00 -1.00 0.00 0.00 179.01 178.48 3hhl h ALA 49 N 0.96 0.74 -0.83 3.43 0.00 -0.99 -1.61 119.26 120.96 3hhl h ALA 49 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hhl h ALA 49 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hhl h ALA 49 CO -0.00 0.57 0.36 -0.92 0.00 0.00 0.00 179.25 179.26 3hhl h TYR 50 N 0.85 1.23 -0.65 0.00 5.03 -0.77 -0.95 116.97 121.70 3hhl h TYR 50 Ca 0.16 -0.08 0.06 0.00 2.58 0.00 0.00 58.73 61.45 3hhl h TYR 50 Cb 0.54 -0.37 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 3hhl h TYR 50 CO 0.04 0.91 0.35 0.00 -1.32 0.00 0.00 178.16 178.14 3hhl h ALA 51 N 1.20 0.87 -0.67 1.82 0.00 -0.78 -1.08 119.26 120.62 3hhl h ALA 51 Ca 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hhl h ALA 51 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hhl h ALA 51 CO -0.03 0.02 0.31 0.00 0.00 0.00 0.00 179.25 179.55 3hhl h ALA 52 N 1.35 0.87 -0.04 0.00 0.00 -0.56 0.98 119.26 121.85 3hhl h ALA 52 Ca 0.29 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hhl h ALA 52 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3hhl h ALA 52 CO -0.19 0.44 -0.25 -0.92 0.00 0.00 0.00 179.25 178.33 3hhl h TYR 53 N 0.93 -0.68 0.25 0.00 3.20 -0.55 -1.55 116.97 118.58 3hhl h TYR 53 Ca 0.23 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3hhl h TYR 53 Cb 0.14 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3hhl h TYR 53 CO 0.01 -0.34 -0.29 0.78 -1.64 0.00 0.00 178.16 176.68 3hhl h GLY 54 N -0.37 -0.63 -0.83 1.82 0.00 -0.86 0.20 103.07 102.41 3hhl h GLY 54 Ca 0.07 0.33 0.13 0.00 0.00 0.00 0.00 47.33 47.87 3hhl h GLY 54 CO -0.25 -0.25 -0.39 -0.09 0.00 0.00 0.00 176.54 175.55 3hhl h ARG 55 N -0.58 -0.05 0.00 4.80 2.43 -0.66 0.06 114.38 120.37 3hhl h ARG 55 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3hhl h ARG 55 Cb 0.55 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3hhl h ARG 55 CO -0.08 -0.03 -0.97 -0.44 -1.51 0.00 0.00 179.97 176.94 3hhl h ASP 56 N -0.05 0.00 1.07 -3.80 3.32 -1.02 -3.32 116.42 112.61 3hhl h ASP 56 Ca 0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hhl h ASP 56 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3hhl h ASP 56 CO -0.90 0.42 -0.94 0.77 -1.72 0.00 0.00 179.24 176.87 3hhl h SER 57 N 0.00 0.00 -0.24 6.45 4.64 -0.31 -3.41 113.55 120.69 3hhl h SER 57 Ca -0.08 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3hhl h SER 57 Cb 1.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 3hhl h SER 57 CO 0.04 0.01 -0.12 1.23 -0.87 0.00 0.00 176.83 177.12 3hhl h GLY 58 N 4.00 0.08 1.46 -0.77 0.00 -1.09 -2.04 103.07 104.69 3hhl h GLY 58 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3hhl h GLY 58 CO 0.00 -0.14 0.30 -2.55 0.00 0.00 0.00 176.54 174.15 3hhl h PRO 59 N -0.10 0.48 -0.13 4.80 0.11 -1.79 -0.21 132.00 135.16 3hhl h PRO 59 Ca 0.13 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 3hhl h PRO 59 Cb 0.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3hhl h PRO 59 CO -0.30 0.32 -0.45 0.28 -0.21 0.00 0.00 178.00 177.63 3hhl h VAL 60 N 0.49 1.36 -0.32 3.15 2.07 -1.71 -2.11 116.25 119.17 3hhl h VAL 60 Ca 0.18 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 3hhl h VAL 60 Cb 0.11 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3hhl h VAL 60 CO -0.04 0.53 0.19 -1.28 0.02 0.00 0.00 177.57 176.98 3hhl h SER 61 N 0.16 0.38 -0.71 0.57 0.87 -0.77 -2.70 113.55 111.35 3hhl h SER 61 Ca -0.02 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 3hhl h SER 61 Cb 1.08 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 3hhl h SER 61 CO 0.10 0.33 0.22 -0.08 -0.53 0.00 0.00 176.83 176.87 3hhl h GLU 62 N 0.41 1.10 -0.03 2.24 4.81 -1.06 0.16 114.58 122.21 3hhl h GLU 62 Ca 0.11 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3hhl h GLU 62 Cb 0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3hhl h GLU 62 CO -0.02 0.95 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.92 3hhl h ARG 63 N 1.05 0.05 -0.53 1.92 2.43 -1.15 -2.66 114.38 115.50 3hhl h ARG 63 Ca 0.23 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hhl h ARG 63 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3hhl h ARG 63 CO -0.01 0.26 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 3hhl n LEU 64 N -4.28 3.55 0.00 3.80 4.77 -0.93 -4.96 117.00 118.95 3hhl n LEU 64 Ca -0.02 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3hhl n LEU 64 Cb 0.28 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hhl n LEU 64 CO 0.37 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3hhl n GLY 65 N 1.55 0.69 3.55 -0.72 0.00 -0.81 -4.69 105.19 104.77 3hhl n GLY 65 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hhl n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhl s GLY 66 N -1.18 1.54 -0.25 -0.02 0.00 0.48 -4.43 107.32 103.46 3hhl s GLY 66 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 3hhl s GLY 66 CO 0.00 0.23 -0.02 0.14 0.00 0.00 0.00 173.10 173.45 3hhl s VAL 68 N -2.75 3.28 -0.66 1.40 1.01 -1.26 -4.35 120.40 117.06 3hhl s VAL 68 Ca 0.68 -0.82 0.22 0.00 0.00 0.00 0.00 61.98 62.06 3hhl s VAL 68 Cb -0.17 -2.64 -0.24 0.00 0.00 0.00 0.00 36.38 33.33 3hhl s VAL 68 CO 0.59 0.22 0.80 1.33 0.00 0.00 0.00 175.10 178.04 3hhl n VAL 69 N 4.75 0.02 -3.62 2.92 0.24 -0.07 -4.95 118.33 117.63 3hhl n VAL 69 Ca -0.16 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 3hhl n VAL 69 Cb 0.48 0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 3hhl n VAL 69 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3hhl s TRP 70 N -3.18 -0.65 -0.12 6.34 -0.00 -1.17 -4.99 118.94 115.16 3hhl s TRP 70 Ca 0.03 1.43 -0.12 0.00 -0.00 0.00 0.00 56.10 57.44 3hhl s TRP 70 Cb 0.15 0.28 0.03 0.00 -0.00 0.00 0.00 33.47 33.94 3hhl s TRP 70 CO 0.87 -0.43 0.34 -1.14 -0.00 0.00 0.00 176.95 176.59 3hhl s GLN 71 N -0.26 0.42 0.02 5.86 0.74 -1.26 -0.81 119.66 124.36 3hhl s GLN 71 Ca -0.04 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 55.81 3hhl s GLN 71 Cb -0.03 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 3hhl s GLN 71 CO 0.04 -0.06 -0.03 0.20 -0.55 0.00 0.00 175.29 174.90 3hhl s GLY 72 N 0.10 0.23 -0.17 2.59 0.00 -0.71 -5.01 107.32 104.34 3hhl s GLY 72 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 44.72 43.94 3hhl s GLY 72 CO 0.01 -0.64 0.58 1.62 0.00 0.00 0.00 173.10 174.67 3hhl s GLN 73 N -1.41 4.24 0.13 2.90 0.74 -1.26 -3.98 119.66 121.02 3hhl s GLN 73 Ca -0.15 0.56 -0.31 0.00 0.05 0.00 0.00 55.36 55.50 3hhl s GLN 73 Cb -0.10 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.38 3hhl s GLN 73 CO -0.01 -0.13 1.62 0.12 -0.55 0.00 0.00 175.29 176.35 3hhl s PHE 74 N 1.54 2.76 -0.04 1.67 5.36 -1.26 -4.89 117.98 123.12 3hhl s PHE 74 Ca 0.28 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 3hhl s PHE 74 Cb -0.16 -3.97 -0.03 0.00 -0.34 0.00 0.00 43.02 38.52 3hhl s PHE 74 CO 0.11 -3.73 -0.01 0.39 -1.46 0.00 0.00 175.22 170.52 3hhl n GLU 75 N 4.67 1.99 0.00 10.12 1.02 -1.26 -5.06 120.64 132.13 3hhl n GLU 75 Ca 0.15 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3hhl n GLU 75 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3hhl n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hhl n LEU 76 N -2.34 0.00 0.00 -4.62 7.94 -1.26 -5.20 117.00 111.52 3hhl n LEU 76 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3hhl n LEU 76 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3hhl n LEU 76 CO 0.06 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.23 3hhl n LEU 78 N 0.00 0.00 -4.16 -1.96 7.94 -1.26 -5.14 117.00 112.42 3hhl n LEU 78 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3hhl n LEU 78 Cb 0.00 0.15 -0.17 0.00 0.53 0.00 0.00 43.42 43.93 3hhl n LEU 78 CO 0.00 -0.15 -0.54 -0.63 -1.11 0.00 0.00 177.39 174.97 3hhl s ILE 79 N -1.35 1.95 0.00 1.96 1.01 -1.26 -5.06 121.20 118.45 3hhl s ILE 79 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3hhl s ILE 79 Cb 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3hhl s ILE 79 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3hhl n GLY 80 N 4.00 1.66 3.77 6.18 0.00 -1.26 -5.09 105.19 114.44 3hhl n GLY 80 Ca -0.20 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 3hhl n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hhl s PRO 81 N -1.31 4.43 0.54 1.61 0.04 -1.26 -4.96 135.00 134.09 3hhl s PRO 81 Ca 0.00 1.61 0.31 0.00 0.04 0.00 0.00 61.00 62.97 3hhl s PRO 81 Cb 0.00 -2.87 1.43 0.00 0.04 0.00 0.00 34.50 33.10 3hhl s PRO 81 CO 0.00 0.07 2.02 1.96 0.04 0.00 0.00 177.00 181.10 3hhl h GLN 82 N 3.19 0.00 0.00 4.56 1.08 -2.00 -2.25 115.11 119.68 3hhl h GLN 82 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3hhl h GLN 82 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3hhl h GLN 82 CO 0.65 0.08 0.00 -0.40 -0.95 0.00 0.00 178.83 178.21 3hhl n ASP 83 N -3.29 0.00 -4.67 1.46 5.68 -1.26 -4.60 116.55 109.86 3hhl n ASP 83 Ca -0.01 -0.88 -0.38 0.00 -0.50 0.00 0.00 54.79 53.02 3hhl n ASP 83 Cb 0.28 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.19 3hhl n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3hhl s GLU 84 N -2.00 4.15 0.00 0.11 2.12 -0.85 -5.04 118.70 117.20 3hhl s GLU 84 Ca 0.38 0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.54 3hhl s GLU 84 Cb 0.17 -3.54 0.07 0.00 0.26 0.00 0.00 34.13 31.10 3hhl s GLU 84 CO 0.29 -0.03 0.68 -3.38 -0.54 0.00 0.00 175.26 172.29 3hhl s HIS 85 N 1.28 -0.60 0.01 5.30 -3.43 -1.26 -4.94 115.29 111.65 3hhl s HIS 85 Ca 0.17 0.87 0.03 0.00 -0.80 0.00 0.00 55.06 55.33 3hhl s HIS 85 Cb -0.15 0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 31.45 3hhl s HIS 85 CO 0.07 -0.66 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.47 3hhl s TRP 86 N -1.92 0.92 -0.11 0.38 0.52 -1.26 -4.66 118.94 112.82 3hhl s TRP 86 Ca -0.07 -0.26 0.13 0.00 0.02 0.00 0.00 56.10 55.92 3hhl s TRP 86 Cb -0.00 -0.57 -0.24 0.00 -1.15 0.00 0.00 33.47 31.51 3hhl s TRP 86 CO 0.03 -0.01 0.42 -0.25 0.02 0.00 0.00 176.95 177.16 3hhl n ASP 87 N 2.37 0.67 -3.95 2.95 8.00 0.13 -4.57 116.55 122.16 3hhl n ASP 87 Ca -0.16 0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 3hhl n ASP 87 Cb 0.56 0.24 -0.16 0.00 -0.02 0.00 0.00 41.12 41.74 3hhl n ASP 87 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hhl s HIS 88 N -2.56 0.89 -0.09 1.24 3.76 -0.59 -4.79 115.29 113.16 3hhl s HIS 88 Ca -0.08 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3hhl s HIS 88 Cb 0.07 -0.71 0.04 0.00 1.11 0.00 0.00 32.58 33.09 3hhl s HIS 88 CO 0.82 -0.17 0.07 0.08 -0.85 0.00 0.00 174.74 174.68 3hhl s VAL 89 N 0.62 -0.06 0.23 -0.90 1.01 -1.26 -0.33 120.40 119.72 3hhl s VAL 89 Ca -0.09 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3hhl s VAL 89 Cb -0.13 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3hhl s VAL 89 CO 0.01 0.03 0.64 0.72 0.00 0.00 0.00 175.10 176.50 3hhl s PHE 90 N 2.14 -0.25 -0.11 5.22 -0.71 -0.95 -1.75 117.98 121.57 3hhl s PHE 90 Ca 0.04 -0.12 0.03 0.00 -1.04 0.00 0.00 56.93 55.84 3hhl s PHE 90 Cb -0.13 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.27 3hhl s PHE 90 CO -0.05 -1.06 -0.20 0.42 -1.34 0.00 0.00 175.22 172.99 3hhl s ILE 91 N -3.87 1.81 -0.11 -4.49 1.01 0.00 -0.01 121.20 115.54 3hhl s ILE 91 Ca 0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3hhl s ILE 91 Cb -0.03 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3hhl s ILE 91 CO -0.00 0.50 -0.09 0.00 0.00 0.00 0.00 174.94 175.35 3hhl s ALA 92 N 0.64 2.81 -0.13 9.38 0.00 -1.26 -0.89 121.76 132.32 3hhl s ALA 92 Ca -0.13 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 3hhl s ALA 92 Cb -0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3hhl s ALA 92 CO 0.03 0.35 0.12 -2.00 0.00 0.00 0.00 175.76 174.26 3hhl s GLU 93 N -0.04 3.47 0.08 0.00 2.12 -1.26 -4.34 118.70 118.73 3hhl s GLU 93 Ca -0.01 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.20 3hhl s GLU 93 Cb -0.14 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3hhl s GLU 93 CO 0.03 0.70 -0.19 0.71 -0.54 0.00 0.00 175.26 175.98 3hhl s TYR 94 N -0.82 1.60 -0.68 5.30 1.51 -0.61 -4.14 117.35 119.51 3hhl s TYR 94 Ca 0.14 -0.41 0.25 0.00 -1.01 0.00 0.00 57.07 56.04 3hhl s TYR 94 Cb -0.12 -0.90 0.87 0.00 -0.11 0.00 0.00 41.96 41.70 3hhl s TYR 94 CO 0.03 0.13 1.76 -0.35 -1.11 0.00 0.00 175.55 176.01 3hhl n PRO 95 N 1.39 0.23 -3.58 -1.71 -0.04 -1.26 -1.58 135.00 128.45 3hhl n PRO 95 Ca -0.19 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 3hhl n PRO 95 Cb 0.54 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 3hhl n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hhl s SER 96 N -4.39 -0.43 0.20 3.54 1.04 -1.26 -3.56 113.70 108.85 3hhl s SER 96 Ca 0.09 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.25 3hhl s SER 96 Cb 0.12 0.61 0.15 0.00 0.10 0.00 0.00 66.02 66.99 3hhl s SER 96 CO 0.54 -1.04 1.62 0.58 0.98 0.00 0.00 173.24 175.92 3hhl h VAL 97 N 2.00 1.27 -0.40 5.02 2.07 -1.86 -2.76 116.25 121.59 3hhl h VAL 97 Ca -0.28 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 3hhl h VAL 97 Cb 1.28 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3hhl h VAL 97 CO 0.32 0.44 0.23 0.00 0.02 0.00 0.00 177.57 178.58 3hhl h ALA 98 N 1.04 1.66 -0.51 1.67 0.00 -1.95 -1.30 119.26 119.86 3hhl h ALA 98 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hhl h ALA 98 Cb 0.71 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hhl h ALA 98 CO 0.05 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.78 3hhl h ALA 99 N 1.71 0.66 -0.54 0.00 0.00 -1.82 -0.94 119.26 118.33 3hhl h ALA 99 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3hhl h ALA 99 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hhl h ALA 99 CO -0.03 0.30 -0.11 0.35 0.00 0.00 0.00 179.25 179.77 3hhl h PHE 100 N 0.68 1.13 -0.43 0.00 3.57 -1.31 -2.69 116.94 117.89 3hhl h PHE 100 Ca 0.17 -0.23 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 3hhl h PHE 100 Cb 0.25 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hhl h PHE 100 CO 0.01 1.04 -0.14 0.28 -2.23 0.00 0.00 178.31 177.27 3hhl h VAL 101 N 0.90 1.26 0.00 1.41 2.07 -1.06 -2.25 116.25 118.58 3hhl h VAL 101 Ca 0.14 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hhl h VAL 101 Cb 0.67 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3hhl h VAL 101 CO 0.05 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.43 3hhl n GLU 102 N -4.15 0.29 0.00 1.57 -0.58 -0.38 -1.21 120.64 116.19 3hhl n GLU 102 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3hhl n GLU 102 Cb 0.39 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3hhl n GLU 102 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3hhl n ILE 104 N 0.99 0.00 1.03 -3.67 5.41 -0.85 -1.88 119.36 120.40 3hhl n ILE 104 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3hhl n ILE 104 Cb 0.14 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.39 3hhl n ILE 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hhl n ARG 105 N 0.00 0.10 -2.11 0.38 1.74 -0.35 -4.59 116.66 111.84 3hhl n ARG 105 Ca 0.00 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 3hhl n ARG 105 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 3hhl n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hhl s ASP 106 N -2.94 6.76 0.32 0.55 2.15 -0.79 -4.85 116.67 117.88 3hhl s ASP 106 Ca 0.13 2.39 0.02 0.00 0.43 0.00 0.00 52.55 55.52 3hhl s ASP 106 Cb 0.18 -2.59 0.55 0.00 -0.30 0.00 0.00 42.92 40.77 3hhl s ASP 106 CO 0.66 -0.71 1.90 1.55 -0.17 0.00 0.00 175.17 178.40 3hhl h PRO 107 N 6.94 0.69 -0.99 4.34 0.13 -1.91 0.27 132.00 141.47 3hhl h PRO 107 Ca -0.42 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3hhl h PRO 107 Cb 1.21 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 3hhl h PRO 107 CO 0.88 0.61 0.65 0.28 -0.23 0.00 0.00 178.00 180.19 3hhl h VAL 108 N 0.68 1.25 -0.38 1.56 2.07 -1.97 -2.53 116.25 116.94 3hhl h VAL 108 Ca 0.16 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 3hhl h VAL 108 Cb 0.21 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3hhl h VAL 108 CO -0.01 0.24 -0.15 0.22 0.02 0.00 0.00 177.57 177.89 3hhl h TYR 109 N 1.33 0.88 -0.08 1.57 3.20 -1.36 -2.19 116.97 120.32 3hhl h TYR 109 Ca 0.36 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3hhl h TYR 109 Cb -0.15 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 3hhl h TYR 109 CO -0.00 0.94 0.08 0.00 -1.64 0.00 0.00 178.16 177.54 3hhl h ARG 110 N 0.57 0.00 0.18 1.82 3.08 -0.34 -0.08 114.38 119.62 3hhl h ARG 110 Ca 0.09 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.89 3hhl h ARG 110 Cb 0.69 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.77 3hhl h ARG 110 CO 0.05 0.00 -1.08 0.93 -1.07 0.00 0.00 179.97 178.80 3hhl h GLU 111 N 0.00 0.41 -0.73 0.04 4.39 -1.36 -3.37 114.58 113.96 3hhl h GLU 111 Ca 0.04 -0.68 -0.01 0.00 0.34 0.00 0.00 59.36 59.04 3hhl h GLU 111 Cb 0.20 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3hhl h GLU 111 CO -0.00 1.32 0.41 0.00 -1.16 0.00 0.00 179.01 179.58 3hhl h ALA 112 N 0.12 1.33 0.00 3.43 0.00 -0.51 -2.76 119.26 120.87 3hhl h ALA 112 Ca -0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3hhl h ALA 112 Cb 1.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3hhl h ALA 112 CO 0.20 0.55 -0.18 -0.24 0.00 0.00 0.00 179.25 179.58 3hhl h VAL 113 N 1.02 0.70 -1.01 0.00 3.04 -1.23 0.14 116.25 118.91 3hhl h VAL 113 Ca 0.26 -0.76 0.26 0.00 -1.01 0.00 0.00 66.70 65.45 3hhl h VAL 113 Cb 0.02 1.47 -0.08 0.00 -2.01 0.00 0.00 31.29 30.69 3hhl h VAL 113 CO -0.04 0.18 0.67 0.11 -1.01 0.00 0.00 177.57 177.47 3hhl h LYS 114 N 0.00 0.34 -0.35 4.17 1.57 -1.64 0.15 116.57 120.82 3hhl h LYS 114 Ca -0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3hhl h LYS 114 Cb 0.46 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hhl h LYS 114 CO 0.02 0.22 -0.29 0.45 -0.57 0.00 0.00 179.45 179.29 3hhl h HIS 115 N 0.35 0.84 -0.59 -1.35 3.86 -1.11 -2.21 115.15 114.94 3hhl h HIS 115 Ca 0.55 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3hhl h HIS 115 Cb 1.49 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 3hhl h HIS 115 CO -0.00 0.93 0.34 -0.09 0.86 0.00 0.00 177.93 179.97 3hhl h ARG 116 N 0.62 0.81 -0.76 2.45 2.43 -0.85 -1.62 114.38 117.47 3hhl h ARG 116 Ca 0.08 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hhl h ARG 116 Cb 0.80 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3hhl h ARG 116 CO 0.07 0.59 0.47 1.96 -1.51 0.00 0.00 179.97 181.55 3hhl h GLN 117 N 0.80 1.01 0.00 0.20 4.20 -0.74 0.41 115.11 120.99 3hhl h GLN 117 Ca 0.21 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3hhl h GLN 117 Cb 0.00 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3hhl h GLN 117 CO -0.04 0.70 -0.42 0.00 -0.67 0.00 0.00 178.83 178.40 3hhl h ALA 118 N 1.48 0.90 0.16 3.87 0.00 -1.12 -3.36 119.26 121.18 3hhl h ALA 118 Ca 0.27 -0.38 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 3hhl h ALA 118 Cb -0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hhl h ALA 118 CO -0.05 0.52 -1.88 0.00 0.00 0.00 0.00 179.25 177.84 3hhl h ALA 119 N 1.58 0.30 -2.60 0.00 0.00 0.02 0.23 119.26 118.79 3hhl h ALA 119 Ca -0.00 -1.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.06 3hhl h ALA 119 Cb 1.03 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 3hhl h ALA 119 CO 0.05 1.17 0.15 0.08 0.00 0.00 0.00 179.25 180.71 3hhl s VAL 120 N -2.57 5.01 -0.06 0.00 1.01 -0.49 -0.61 120.40 122.69 3hhl s VAL 120 Ca -0.19 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 3hhl s VAL 120 Cb 0.06 -4.01 -0.30 0.00 0.00 0.00 0.00 36.38 32.13 3hhl s VAL 120 CO 0.81 0.16 0.67 -0.08 0.00 0.00 0.00 175.10 176.66 3hhl h GLU 121 N 7.14 0.36 -2.54 2.72 4.81 -1.19 -3.44 114.58 122.44 3hhl h GLU 121 Ca -0.35 -0.62 -0.03 0.00 -0.13 0.00 0.00 59.36 58.23 3hhl h GLU 121 Cb 1.16 0.23 -0.15 0.00 0.63 0.00 0.00 28.75 30.62 3hhl h GLU 121 CO 0.78 1.30 0.22 0.34 -0.73 0.00 0.00 179.01 180.92 3hhl s ASP 122 N -7.23 -0.59 0.01 1.04 2.15 -1.03 -3.32 116.67 107.69 3hhl s ASP 122 Ca -0.16 0.30 -0.28 0.00 0.43 0.00 0.00 52.55 52.83 3hhl s ASP 122 Cb 0.05 0.56 0.09 0.00 -0.30 0.00 0.00 42.92 43.32 3hhl s ASP 122 CO 0.84 -0.80 0.82 -0.94 -0.17 0.00 0.00 175.17 174.91 3hhl s SER 123 N -2.08 -0.44 0.03 -0.34 1.04 -0.61 -1.01 113.70 110.29 3hhl s SER 123 Ca -0.04 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.58 3hhl s SER 123 Cb -0.01 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3hhl s SER 123 CO -0.03 -0.67 -0.22 -0.13 0.98 0.00 0.00 173.24 173.16 3hhl s ARG 124 N -2.88 1.58 -0.23 4.02 1.81 0.38 -4.57 118.95 119.06 3hhl s ARG 124 Ca 0.02 -0.95 -0.02 0.00 -1.72 0.00 0.00 55.73 53.06 3hhl s ARG 124 Cb -0.01 -1.67 0.07 0.00 -0.45 0.00 0.00 34.95 32.89 3hhl s ARG 124 CO -0.07 0.44 0.03 -1.17 -0.68 0.00 0.00 175.30 173.85 3hhl s LEU 125 N -1.05 1.75 -0.19 2.53 2.96 -1.26 -0.90 118.68 122.51 3hhl s LEU 125 Ca 0.09 -1.12 -0.05 0.00 -0.22 0.00 0.00 54.13 52.83 3hhl s LEU 125 Cb -0.09 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 3hhl s LEU 125 CO 0.01 -0.32 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.09 3hhl s ILE 126 N 1.70 3.99 -0.13 6.68 1.01 -0.07 -4.96 121.20 129.42 3hhl s ILE 126 Ca 0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 3hhl s ILE 126 Cb -0.17 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3hhl s ILE 126 CO -0.12 0.44 0.52 -0.60 0.00 0.00 0.00 174.94 175.18 3hhl s ARG 127 N 0.85 4.32 0.07 2.79 3.52 -1.26 -1.15 118.95 128.08 3hhl s ARG 127 Ca 0.01 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 56.16 3hhl s ARG 127 Cb -0.14 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3hhl s ARG 127 CO 0.02 0.07 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.92 3hhl s LEU 128 N 0.91 2.28 -0.20 -0.88 1.02 0.61 -4.99 118.68 117.43 3hhl s LEU 128 Ca 0.27 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.60 3hhl s LEU 128 Cb -0.15 -0.51 -0.03 0.00 0.02 0.00 0.00 46.19 45.52 3hhl s LEU 128 CO 0.11 -0.08 0.57 -0.75 0.02 0.00 0.00 176.35 176.22 3hhl s LYS 129 N -1.78 4.19 0.32 1.70 2.20 -1.26 -0.73 119.74 124.38 3hhl s LYS 129 Ca -0.02 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.80 3hhl s LYS 129 Cb -0.10 -3.58 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 3hhl s LYS 129 CO 0.02 -0.21 1.56 -2.14 -0.36 0.00 0.00 175.35 174.22 3hhl s PRO 130 N 1.83 4.11 0.18 4.03 0.02 -1.26 -4.97 135.00 138.94 3hhl s PRO 130 Ca 0.26 2.58 0.08 0.00 0.02 0.00 0.00 61.00 63.94 3hhl s PRO 130 Cb -0.16 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3hhl s PRO 130 CO 0.10 -0.61 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.62 3hhl s LEU 131 N -1.06 3.18 -0.23 -5.54 1.43 -1.26 -5.08 118.68 110.13 3hhl s LEU 131 Ca 0.60 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3hhl s LEU 131 Cb -0.48 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 3hhl s LEU 131 CO 0.53 0.09 1.40 -0.75 0.23 0.00 0.00 176.35 177.86 3hhl s LYS 132 N -2.90 3.98 0.00 1.70 2.36 -1.26 -4.84 119.74 118.78 3hhl s LYS 132 Ca 0.26 1.53 -0.12 0.00 -2.55 0.00 0.00 55.97 55.09 3hhl s LYS 132 Cb -0.09 -3.90 -0.14 0.00 -1.05 0.00 0.00 37.83 32.64 3hhl s LYS 132 CO 0.17 -1.05 0.97 -2.30 1.55 0.00 0.00 175.35 174.70 3hhl n PRO 133 N 7.22 0.00 0.00 4.03 -0.02 -1.26 -5.34 135.00 139.63 3hhl n PRO 133 Ca 0.16 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 3hhl n PRO 133 Cb 0.46 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3hhl n PRO 133 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89