#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhl s GLY 3 N 0.00 1.70 -0.26 3.41 0.00 -1.15 -5.05 107.32 105.98 3hhl s GLY 3 Ca 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 44.72 42.42 3hhl s GLY 3 CO 0.00 -1.62 0.35 0.30 0.00 0.00 0.00 173.10 172.12 3hhl s HIS 4 N -2.82 3.27 -0.10 1.90 3.76 -1.26 -4.87 115.29 115.18 3hhl s HIS 4 Ca 0.64 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.95 3hhl s HIS 4 Cb -0.05 -2.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 3hhl s HIS 4 CO 0.41 -0.16 -0.10 -0.89 -0.85 0.00 0.00 174.74 173.15 3hhl n ILE 5 N 4.90 0.55 -4.39 0.60 5.41 -1.26 -1.33 119.36 123.83 3hhl n ILE 5 Ca -0.09 -0.18 -0.22 0.00 1.00 0.00 0.00 62.75 63.25 3hhl n ILE 5 Cb 0.51 -1.15 -0.11 0.00 -0.71 0.00 0.00 39.64 38.18 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 -5.31 3.01 0.49 4.38 1.01 -1.26 -4.97 116.67 114.02 3hhl s ASP 6 Ca -0.13 -0.95 -0.20 0.00 0.71 0.00 0.00 52.55 51.98 3hhl s ASP 6 Cb 0.04 -0.20 -0.08 0.00 1.01 0.00 0.00 42.92 43.68 3hhl s ASP 6 CO 0.20 -0.03 1.02 -2.16 0.21 0.00 0.00 175.17 174.41 3hhl s PRO 7 N -3.21 3.86 0.54 8.23 0.04 -1.26 -5.06 135.00 138.13 3hhl s PRO 7 Ca 0.22 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 3hhl s PRO 7 Cb -0.04 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hhl s PRO 7 CO 0.09 -0.37 0.92 0.95 0.04 0.00 0.00 177.00 178.63 3hhl s THR 8 N -2.13 4.77 0.21 1.26 -4.23 -1.26 -4.94 115.64 109.32 3hhl s THR 8 Ca 0.65 0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 61.71 3hhl s THR 8 Cb -0.14 -3.84 0.14 0.00 1.34 0.00 0.00 72.50 70.00 3hhl s THR 8 CO 0.21 -0.95 1.76 0.11 -0.54 0.00 0.00 174.62 175.22 3hhl h LYS 9 N 0.13 0.48 -0.24 3.99 1.57 -1.99 -1.49 116.57 119.01 3hhl h LYS 9 Ca -0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 3hhl h LYS 9 Cb 1.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3hhl h LYS 9 CO 0.62 0.32 0.06 0.93 -0.57 0.00 0.00 179.45 180.81 3hhl h GLU 10 N 0.49 0.39 -0.27 3.15 3.07 -1.99 -1.53 114.58 117.88 3hhl h GLU 10 Ca 0.31 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 58.93 3hhl h GLU 10 Cb 0.33 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3hhl h GLU 10 CO -0.27 0.49 -0.44 0.28 -1.40 0.00 0.00 179.01 177.67 3hhl h VAL 11 N 0.22 1.29 -0.03 3.13 2.07 -1.94 -2.30 116.25 118.69 3hhl h VAL 11 Ca 0.08 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 3hhl h VAL 11 Cb 0.27 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hhl h VAL 11 CO 0.00 0.52 -0.21 0.15 0.02 0.00 0.00 177.57 178.05 3hhl h PHE 12 N 0.56 0.05 -0.52 1.57 3.57 -1.12 -1.16 116.94 119.88 3hhl h PHE 12 Ca 0.04 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3hhl h PHE 12 Cb 0.99 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3hhl h PHE 12 CO 0.05 0.26 0.20 0.00 -2.23 0.00 0.00 178.31 176.59 3hhl h ALA 13 N 1.74 0.68 -0.86 2.41 0.00 -0.92 -1.89 119.26 120.42 3hhl h ALA 13 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hhl h ALA 13 Cb 0.40 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3hhl h ALA 13 CO 0.03 0.31 0.57 1.96 0.00 0.00 0.00 179.25 182.12 3hhl h GLN 14 N 0.71 1.14 0.10 0.00 4.20 -0.81 0.14 115.11 120.59 3hhl h GLN 14 Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hhl h GLN 14 Cb 0.22 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3hhl h GLN 14 CO -0.01 0.75 -0.06 0.35 -0.67 0.00 0.00 178.83 179.19 3hhl h PHE 15 N 1.17 -0.14 -0.75 2.96 3.57 -0.87 -2.59 116.94 120.27 3hhl h PHE 15 Ca 0.32 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3hhl h PHE 15 Cb -0.13 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3hhl h PHE 15 CO -0.00 -0.09 0.30 0.00 -2.23 0.00 0.00 178.31 176.29 3hhl h ARG 16 N -0.15 1.12 -0.84 1.11 3.08 -0.99 -2.90 114.38 114.82 3hhl h ARG 16 Ca -0.01 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 59.90 3hhl h ARG 16 Cb 0.12 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3hhl h ARG 16 CO 0.01 0.91 0.55 0.00 -1.07 0.00 0.00 179.97 180.38 3hhl h ALA 17 N 1.22 1.55 -1.89 0.04 0.00 -0.52 -3.29 119.26 116.38 3hhl h ALA 17 Ca 0.25 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.40 3hhl h ALA 17 Cb 0.21 -0.26 -0.19 0.00 0.00 0.00 0.00 17.79 17.56 3hhl h ALA 17 CO -0.02 0.33 1.07 1.21 0.00 0.00 0.00 179.25 181.84 3hhl s ASN 18 N -6.11 6.95 -0.44 0.00 2.47 -1.00 -4.83 114.94 111.99 3hhl s ASN 18 Ca -0.11 -2.76 0.04 0.00 0.42 0.00 0.00 52.86 50.45 3hhl s ASN 18 Cb 0.19 -2.37 0.51 0.00 -1.45 0.00 0.00 41.25 38.13 3hhl s ASN 18 CO 0.79 -0.79 1.67 -0.90 -3.72 0.00 0.00 177.10 174.15 3hhl n ASP 19 N 5.57 4.91 -4.77 -4.21 5.75 -1.24 -4.95 116.55 117.61 3hhl n ASP 19 Ca 0.31 -3.75 -0.40 0.00 -0.01 0.00 0.00 54.79 50.93 3hhl n ASP 19 Cb 0.44 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3hhl n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhl s ARG 20 N -3.53 3.97 0.27 0.11 3.03 -1.26 -4.90 118.95 116.64 3hhl s ARG 20 Ca 0.55 2.44 -0.30 0.00 2.03 0.00 0.00 55.73 60.45 3hhl s ARG 20 Cb 0.45 -2.84 -0.11 0.00 -1.03 0.00 0.00 34.95 31.42 3hhl s ARG 20 CO 0.02 -0.60 1.49 -2.00 -1.13 0.00 0.00 175.30 173.08 3hhl s GLU 21 N -2.21 4.22 0.00 3.89 2.12 -1.26 -4.79 118.70 120.67 3hhl s GLU 21 Ca 0.56 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.29 3hhl s GLU 21 Cb -0.44 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3hhl s GLU 21 CO 0.58 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 3hhl n GLY 22 N 2.03 4.31 3.64 -1.50 0.00 -1.26 -5.09 105.19 107.32 3hhl n GLY 22 Ca 0.07 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 3hhl n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hhl n PRO 23 N -1.90 0.54 -5.28 1.61 -0.02 -1.23 -4.29 135.00 124.42 3hhl n PRO 23 Ca 0.00 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3hhl n PRO 23 Cb 0.00 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.02 3hhl n PRO 23 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hhl s ILE 24 N -1.81 2.02 0.00 4.25 -4.36 -0.83 -4.54 121.20 115.93 3hhl s ILE 24 Ca 0.75 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.05 3hhl s ILE 24 Cb -0.34 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.68 3hhl s ILE 24 CO 0.49 0.57 0.00 1.41 0.24 0.00 0.00 174.94 177.65 3hhl n HIS 25 N 2.56 -1.23 -3.46 1.37 8.25 -0.25 -1.46 115.22 121.00 3hhl n HIS 25 Ca -0.16 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.31 3hhl n HIS 25 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.82 -0.22 2.41 2.96 -0.32 -0.49 118.68 122.20 3hhl s LEU 27 Ca 0.00 1.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3hhl s LEU 27 Cb 0.00 1.90 -0.02 0.00 0.50 0.00 0.00 46.19 48.57 3hhl s LEU 27 CO 0.00 -0.16 0.02 0.20 -1.32 0.00 0.00 176.35 175.09 3hhl s ASN 28 N 2.66 4.83 -0.29 3.68 0.01 0.13 -1.06 114.94 124.90 3hhl s ASN 28 Ca -0.02 -0.25 -0.05 0.00 -0.71 0.00 0.00 52.86 51.83 3hhl s ASN 28 Cb -0.09 -1.84 0.02 0.00 0.41 0.00 0.00 41.25 39.75 3hhl s ASN 28 CO -0.18 0.01 0.04 -0.76 -1.51 0.00 0.00 177.10 174.70 3hhl s LEU 29 N 1.35 3.71 -0.11 0.60 1.43 -0.27 -2.34 118.68 123.05 3hhl s LEU 29 Ca 0.04 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3hhl s LEU 29 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3hhl s LEU 29 CO 0.01 -0.19 -0.20 -0.69 0.23 0.00 0.00 176.35 175.51 3hhl s VAL 30 N 1.43 1.84 -0.22 -1.59 1.01 0.05 -0.70 120.40 122.22 3hhl s VAL 30 Ca 0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hhl s VAL 30 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3hhl s VAL 30 CO 0.00 0.51 -0.02 -0.60 0.00 0.00 0.00 175.10 174.99 3hhl s ARG 31 N 0.66 3.47 0.16 2.72 3.52 0.17 0.16 118.95 129.81 3hhl s ARG 31 Ca -0.12 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.80 3hhl s ARG 31 Cb -0.16 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.10 3hhl s ARG 31 CO 0.03 -0.13 0.49 -0.51 -0.81 0.00 0.00 175.30 174.37 3hhl s LEU 32 N 1.35 4.27 0.38 -0.88 1.43 -1.26 -0.41 118.68 123.55 3hhl s LEU 32 Ca 0.04 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 3hhl s LEU 32 Cb -0.14 -3.36 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 3hhl s LEU 32 CO -0.01 0.05 1.22 -0.13 0.23 0.00 0.00 176.35 177.72 3hhl s ARG 33 N -2.36 4.14 0.11 1.70 0.52 0.32 -4.63 118.95 118.76 3hhl s ARG 33 Ca 0.41 1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 57.36 3hhl s ARG 33 Cb -0.13 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.43 3hhl s ARG 33 CO 0.20 -0.29 1.67 -1.35 0.02 0.00 0.00 175.30 175.56 3hhl h PRO 34 N 2.90 -0.29 -5.22 3.54 0.11 -1.97 -2.42 132.00 128.65 3hhl h PRO 34 Ca -0.49 0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.00 3hhl h PRO 34 Cb 1.23 0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 3hhl h PRO 34 CO 0.63 -0.20 -0.67 -0.98 -0.21 0.00 0.00 178.00 176.58 3hhl s ARG 35 N -6.13 3.62 0.29 1.05 1.04 -1.26 -2.42 118.95 115.15 3hhl s ARG 35 Ca -0.15 -0.53 -0.29 0.00 -1.04 0.00 0.00 55.73 53.72 3hhl s ARG 35 Cb 0.08 -2.97 -0.10 0.00 -2.04 0.00 0.00 34.95 29.92 3hhl s ARG 35 CO 0.66 0.13 1.41 0.00 -0.04 0.00 0.00 175.30 177.46 3hhl s ALA 36 N 0.65 3.58 -1.02 7.88 0.00 -0.21 -4.66 121.76 127.99 3hhl s ALA 36 Ca -0.02 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 3hhl s ALA 36 Cb -0.14 -3.54 0.27 0.00 0.00 0.00 0.00 23.12 19.70 3hhl s ALA 36 CO 0.02 -0.76 1.07 0.00 0.00 0.00 0.00 175.76 176.09 3hhl n ALA 37 N 1.56 4.29 -1.95 0.00 0.00 -0.30 -4.68 120.51 119.44 3hhl n ALA 37 Ca 0.04 -4.68 -0.33 0.00 0.00 0.00 0.00 53.44 48.46 3hhl n ALA 37 Cb 0.40 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.70 3.37 0.23 0.00 1.51 -1.26 -4.41 117.35 115.09 3hhl s TYR 38 Ca 0.31 1.47 -0.06 0.00 -1.01 0.00 0.00 57.07 57.77 3hhl s TYR 38 Cb -0.05 -2.73 0.41 0.00 -0.11 0.00 0.00 41.96 39.49 3hhl s TYR 38 CO -0.05 0.00 1.69 -1.35 -1.11 0.00 0.00 175.55 174.74 3hhl h PRO 39 N 2.18 0.27 0.00 -1.71 0.11 -1.97 -1.29 132.00 129.59 3hhl h PRO 39 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hhl h PRO 39 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hhl h PRO 39 CO 0.63 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3hhl n ASP 40 N -5.14 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 108.98 3hhl n ASP 40 Ca 0.13 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 3hhl n ASP 40 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3hhl n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hhl n GLY 41 N 0.24 0.34 3.70 6.12 0.00 -0.49 -4.96 105.19 110.15 3hhl n GLY 41 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3hhl n GLY 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hhl n ARG 42 N -1.91 1.41 -3.30 1.61 0.00 -1.26 -4.94 116.66 108.27 3hhl n ARG 42 Ca 0.00 0.53 -0.42 0.00 -0.00 0.00 0.00 57.85 57.96 3hhl n ARG 42 Cb 0.02 -2.45 -0.08 0.00 0.00 0.00 0.00 32.46 29.95 3hhl n ARG 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3hhl s GLU 43 N -2.87 3.31 0.18 -0.14 1.03 -1.26 -4.67 118.70 114.29 3hhl s GLU 43 Ca 0.74 -0.53 -0.11 0.00 0.03 0.00 0.00 54.97 55.09 3hhl s GLU 43 Cb -0.42 -3.90 -0.00 0.00 -0.80 0.00 0.00 34.13 29.01 3hhl s GLU 43 CO 0.48 -0.76 0.36 0.95 -1.33 0.00 0.00 175.26 174.95 3hhl s THR 44 N 2.24 0.05 0.61 1.83 -4.23 -1.26 -5.07 115.64 109.80 3hhl s THR 44 Ca 0.14 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.27 3hhl s THR 44 Cb -0.16 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 3hhl s THR 44 CO 0.14 -0.22 1.03 0.42 -0.54 0.00 0.00 174.62 175.44 3hhl s THR 45 N -3.95 4.54 0.26 3.99 -4.23 -1.26 -1.04 115.64 113.95 3hhl s THR 45 Ca 0.16 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 3hhl s THR 45 Cb 0.02 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.36 3hhl s THR 45 CO 0.00 -0.98 1.85 1.23 -0.54 0.00 0.00 174.62 176.18 3hhl h GLY 46 N -0.07 1.46 0.66 3.99 0.00 -1.08 -2.09 103.07 105.95 3hhl h GLY 46 Ca -0.45 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.52 3hhl h GLY 46 CO 0.61 0.22 0.05 0.00 0.00 0.00 0.00 176.54 177.43 3hhl h ALA 47 N 1.47 0.30 -0.61 3.60 0.00 -1.86 0.83 119.26 122.98 3hhl h ALA 47 Ca 0.43 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.42 3hhl h ALA 47 Cb 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hhl h ALA 47 CO -0.22 -0.36 0.38 0.93 0.00 0.00 0.00 179.25 179.99 3hhl h GLU 48 N 0.16 0.73 -0.35 0.00 5.08 -1.83 0.67 114.58 119.04 3hhl h GLU 48 Ca 0.13 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 3hhl h GLU 48 Cb 0.14 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hhl h GLU 48 CO -0.18 0.49 -0.41 0.00 -1.00 0.00 0.00 179.01 177.90 3hhl h ALA 49 N 1.26 0.52 -0.60 3.43 0.00 -1.06 -1.79 119.26 121.02 3hhl h ALA 49 Ca 0.24 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hhl h ALA 49 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hhl h ALA 49 CO -0.09 0.65 0.22 -0.92 0.00 0.00 0.00 179.25 179.11 3hhl h TYR 50 N 0.71 0.90 0.02 0.00 5.03 -0.62 -1.26 116.97 121.75 3hhl h TYR 50 Ca 0.05 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.31 3hhl h TYR 50 Cb 1.01 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 3hhl h TYR 50 CO 0.07 0.71 -0.10 0.00 -1.32 0.00 0.00 178.16 177.52 3hhl h ALA 51 N 1.37 -0.13 -0.48 1.82 0.00 -0.65 -1.30 119.26 119.89 3hhl h ALA 51 Ca 0.20 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3hhl h ALA 51 Cb 0.20 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3hhl h ALA 51 CO -0.02 -0.60 0.21 0.00 0.00 0.00 0.00 179.25 178.84 3hhl h ALA 52 N 0.77 0.60 -0.29 0.00 0.00 -0.87 0.12 119.26 119.60 3hhl h ALA 52 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hhl h ALA 52 Cb 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3hhl h ALA 52 CO -0.08 -0.17 -0.34 -0.92 0.00 0.00 0.00 179.25 177.74 3hhl h TYR 53 N 0.41 -0.95 -0.10 0.00 3.20 -0.99 -1.02 116.97 117.52 3hhl h TYR 53 Ca 0.22 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.19 3hhl h TYR 53 Cb 0.18 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 3hhl h TYR 53 CO -0.13 -0.40 -0.36 0.78 -1.64 0.00 0.00 178.16 176.41 3hhl h GLY 54 N -0.33 -0.56 2.00 1.82 0.00 -0.35 0.15 103.07 105.81 3hhl h GLY 54 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3hhl h GLY 54 CO -0.47 -0.23 0.00 0.07 0.00 0.00 0.00 176.54 175.91 3hhl h ARG 55 N -0.46 0.00 0.00 4.80 0.11 -0.43 -0.09 114.38 118.32 3hhl h ARG 55 Ca 0.08 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.90 3hhl h ARG 55 Cb 0.58 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.62 3hhl h ARG 55 CO -0.35 0.00 -1.68 -0.25 0.10 0.00 0.00 179.97 177.79 3hhl n ASP 56 N -2.78 0.80 0.03 0.08 8.00 -0.42 -4.35 116.55 117.90 3hhl n ASP 56 Ca 0.02 0.37 0.02 0.00 0.71 0.00 0.00 54.79 55.92 3hhl n ASP 56 Cb 0.36 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 3hhl n ASP 56 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hhl n SER 57 N -2.97 0.77 -0.32 -2.24 3.41 0.51 -4.44 113.62 108.34 3hhl n SER 57 Ca -0.16 0.33 -0.02 0.00 -0.26 0.00 0.00 58.87 58.76 3hhl n SER 57 Cb 1.00 0.35 0.03 0.00 -0.26 0.00 0.00 64.21 65.33 3hhl n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hhl h GLY 58 N 3.79 0.02 1.91 5.00 0.00 -1.21 -1.40 103.07 111.18 3hhl h GLY 58 Ca -0.15 0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 3hhl h GLY 58 CO 0.04 -0.21 -0.11 -2.55 0.00 0.00 0.00 176.54 173.70 3hhl h PRO 59 N -0.06 0.12 -0.06 4.80 0.11 -1.82 -0.92 132.00 134.16 3hhl h PRO 59 Ca 0.31 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 3hhl h PRO 59 Cb 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hhl h PRO 59 CO -0.88 0.24 -0.19 0.28 -0.21 0.00 0.00 178.00 177.25 3hhl h VAL 60 N 0.11 1.44 -0.50 3.15 2.07 -1.55 -1.89 116.25 119.09 3hhl h VAL 60 Ca 0.02 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.05 3hhl h VAL 60 Cb 0.28 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 3hhl h VAL 60 CO 0.02 0.44 0.10 -1.28 0.02 0.00 0.00 177.57 176.86 3hhl h SER 61 N -0.28 -0.01 -0.60 0.57 0.87 -1.07 -2.84 113.55 110.19 3hhl h SER 61 Ca -0.01 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3hhl h SER 61 Cb 0.81 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 3hhl h SER 61 CO 0.04 0.02 0.14 -0.08 -0.53 0.00 0.00 176.83 176.43 3hhl h GLU 62 N 0.23 0.96 -0.29 2.24 4.81 -1.07 0.11 114.58 121.57 3hhl h GLU 62 Ca 0.25 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3hhl h GLU 62 Cb 0.34 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3hhl h GLU 62 CO -0.33 0.88 0.08 -0.09 -0.73 0.00 0.00 179.01 178.83 3hhl h ARG 63 N 0.87 0.41 -0.55 1.92 2.43 -1.14 -2.67 114.38 115.65 3hhl h ARG 63 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3hhl h ARG 63 Cb 0.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hhl h ARG 63 CO 0.00 0.37 0.00 1.28 -1.51 0.00 0.00 179.97 180.12 3hhl n LEU 64 N -4.39 3.56 0.00 3.80 4.77 -0.97 -4.95 117.00 118.82 3hhl n LEU 64 Ca 0.01 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3hhl n LEU 64 Cb 0.16 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3hhl n LEU 64 CO 0.37 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3hhl n GLY 65 N 1.56 0.48 3.48 -0.72 0.00 -0.94 -4.67 105.19 104.37 3hhl n GLY 65 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.10 1.51 -0.27 -0.02 0.00 0.33 -4.42 107.32 103.36 3hhl s GLY 66 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 3hhl s GLY 66 CO 0.00 0.36 -0.00 0.14 0.00 0.00 0.00 173.10 173.59 3hhl s VAL 68 N -2.55 3.32 -0.67 1.40 1.01 -1.26 -4.35 120.40 117.31 3hhl s VAL 68 Ca 0.68 -0.88 0.22 0.00 0.00 0.00 0.00 61.98 62.00 3hhl s VAL 68 Cb -0.20 -2.69 -0.24 0.00 0.00 0.00 0.00 36.38 33.25 3hhl s VAL 68 CO 0.61 0.16 0.81 1.33 0.00 0.00 0.00 175.10 178.01 3hhl n VAL 69 N 4.75 0.02 -3.59 2.92 0.24 -0.33 -4.96 118.33 117.38 3hhl n VAL 69 Ca -0.16 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 3hhl n VAL 69 Cb 0.47 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 -0.64 -0.18 6.34 -0.00 -1.19 -4.99 118.94 115.10 3hhl s TRP 70 Ca 0.03 1.29 -0.16 0.00 -0.00 0.00 0.00 56.10 57.25 3hhl s TRP 70 Cb 0.15 0.32 0.05 0.00 -0.00 0.00 0.00 33.47 33.99 3hhl s TRP 70 CO 0.87 -0.49 0.48 -1.14 -0.00 0.00 0.00 176.95 176.67 3hhl s GLN 71 N -0.62 0.56 0.01 5.86 0.74 -1.26 -1.08 119.66 123.86 3hhl s GLN 71 Ca -0.07 0.69 -0.02 0.00 0.05 0.00 0.00 55.36 56.01 3hhl s GLN 71 Cb -0.02 0.25 -0.01 0.00 1.10 0.00 0.00 33.01 34.33 3hhl s GLN 71 CO 0.06 -0.07 0.01 0.20 -0.55 0.00 0.00 175.29 174.94 3hhl s GLY 72 N 0.34 0.18 -0.17 2.59 0.00 -0.67 -5.01 107.32 104.58 3hhl s GLY 72 Ca -0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 3hhl s GLY 72 CO -0.00 -0.51 0.58 1.62 0.00 0.00 0.00 173.10 174.78 3hhl s GLN 73 N -1.33 4.25 0.15 2.90 0.74 -1.26 -3.91 119.66 121.20 3hhl s GLN 73 Ca -0.14 0.56 -0.31 0.00 0.05 0.00 0.00 55.36 55.52 3hhl s GLN 73 Cb -0.09 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.39 3hhl s GLN 73 CO -0.00 -0.12 1.63 0.12 -0.55 0.00 0.00 175.29 176.36 3hhl s PHE 74 N 1.52 2.83 -0.03 1.67 5.36 -1.26 -4.89 117.98 123.18 3hhl s PHE 74 Ca 0.28 0.47 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 3hhl s PHE 74 Cb -0.16 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.51 3hhl s PHE 74 CO 0.11 -3.77 -0.02 0.39 -1.46 0.00 0.00 175.22 170.48 3hhl n GLU 75 N 4.45 1.25 0.00 10.12 1.02 -1.26 -5.06 120.64 131.15 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 0.38 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.43 0.00 0.00 -4.62 7.94 -1.26 -5.20 117.00 111.43 3hhl n LEU 76 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3hhl n LEU 76 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 3hhl n LEU 76 CO 0.04 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.21 3hhl n LEU 78 N 0.00 0.00 -3.97 -1.96 7.94 -1.26 -5.14 117.00 112.62 3hhl n LEU 78 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 3hhl n LEU 78 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 3hhl n LEU 78 CO 0.00 -0.00 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.19 3hhl s ILE 79 N -1.00 1.18 0.00 1.96 1.01 -1.26 -5.07 121.20 118.02 3hhl s ILE 79 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3hhl s ILE 79 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3hhl s ILE 79 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3hhl n GLY 80 N 4.55 1.40 3.76 6.18 0.00 -1.26 -5.11 105.19 114.71 3hhl n GLY 80 Ca -0.16 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.37 4.78 0.58 1.61 0.04 -1.26 -4.96 135.00 134.42 3hhl s PRO 81 Ca 0.00 1.52 0.36 0.00 0.04 0.00 0.00 61.00 62.93 3hhl s PRO 81 Cb 0.00 -3.19 1.71 0.00 0.04 0.00 0.00 34.50 33.05 3hhl s PRO 81 CO 0.00 0.43 2.11 1.96 0.04 0.00 0.00 177.00 181.54 3hhl h GLN 82 N 3.95 0.00 0.00 4.56 1.08 -2.01 -1.94 115.11 120.75 3hhl h GLN 82 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3hhl h GLN 82 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3hhl h GLN 82 CO 0.67 0.02 0.00 0.38 -0.95 0.00 0.00 178.83 178.95 3hhl h ASP 83 N 0.00 0.00 -3.14 1.46 2.03 -2.06 -3.41 116.42 111.30 3hhl h ASP 83 Ca -0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 3hhl h ASP 83 Cb 0.34 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.77 3hhl h ASP 83 CO 0.00 0.00 0.71 -1.61 -1.03 0.00 0.00 179.24 177.31 3hhl s GLU 84 N -3.39 4.23 0.04 4.15 2.02 -0.73 -5.02 118.70 120.02 3hhl s GLU 84 Ca 0.04 1.24 -0.09 0.00 0.02 0.00 0.00 54.97 56.18 3hhl s GLU 84 Cb 0.09 -3.64 -0.00 0.00 0.10 0.00 0.00 34.13 30.68 3hhl s GLU 84 CO 0.42 -0.60 0.17 -3.38 0.02 0.00 0.00 175.26 171.89 3hhl s HIS 85 N 3.11 0.10 -0.01 1.61 -3.43 -1.26 -4.93 115.29 110.47 3hhl s HIS 85 Ca 0.42 -0.36 0.03 0.00 -0.80 0.00 0.00 55.06 54.35 3hhl s HIS 85 Cb -0.15 -0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 3hhl s HIS 85 CO 0.07 -0.43 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.70 3hhl s TRP 86 N -2.73 0.90 -0.09 0.38 0.52 -1.26 -4.69 118.94 111.97 3hhl s TRP 86 Ca -0.04 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 55.95 3hhl s TRP 86 Cb -0.00 -0.58 -0.24 0.00 -1.15 0.00 0.00 33.47 31.50 3hhl s TRP 86 CO -0.05 -0.01 0.50 -0.25 0.02 0.00 0.00 176.95 177.15 3hhl n ASP 87 N 2.81 1.38 -4.06 2.95 8.00 0.12 -4.59 116.55 123.15 3hhl n ASP 87 Ca -0.14 0.30 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 3hhl n ASP 87 Cb 0.57 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.58 1.43 -0.08 1.24 3.76 -0.78 -4.77 115.29 113.51 3hhl s HIS 88 Ca -0.13 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.32 3hhl s HIS 88 Cb 0.07 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.80 3hhl s HIS 88 CO 0.80 -0.18 0.05 0.08 -0.85 0.00 0.00 174.74 174.64 3hhl s VAL 89 N 0.27 0.03 0.21 -0.90 1.01 -1.25 -0.77 120.40 119.00 3hhl s VAL 89 Ca -0.07 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 3hhl s VAL 89 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.93 3hhl s VAL 89 CO 0.02 0.09 0.57 0.72 0.00 0.00 0.00 175.10 176.49 3hhl s PHE 90 N 2.10 -0.15 -0.13 5.22 -0.71 -0.99 -1.67 117.98 121.66 3hhl s PHE 90 Ca 0.04 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 3hhl s PHE 90 Cb -0.13 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3hhl s PHE 90 CO -0.05 -0.97 -0.21 0.42 -1.34 0.00 0.00 175.22 173.07 3hhl s ILE 91 N -3.88 1.96 -0.14 -4.49 1.01 -0.24 0.22 121.20 115.63 3hhl s ILE 91 Ca 0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3hhl s ILE 91 Cb -0.02 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3hhl s ILE 91 CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.46 3hhl s ALA 92 N 0.74 3.20 -0.11 9.38 0.00 -1.26 -1.19 121.76 132.52 3hhl s ALA 92 Ca -0.10 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3hhl s ALA 92 Cb -0.16 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3hhl s ALA 92 CO 0.01 0.31 0.14 -2.00 0.00 0.00 0.00 175.76 174.22 3hhl s GLU 93 N 0.01 3.43 0.11 0.00 2.12 -1.26 -4.35 118.70 118.77 3hhl s GLU 93 Ca 0.03 -0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.28 3hhl s GLU 93 Cb -0.13 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 3hhl s GLU 93 CO 0.02 0.77 -0.18 0.71 -0.54 0.00 0.00 175.26 176.04 3hhl s TYR 94 N -1.05 1.63 -0.88 5.30 1.51 -0.54 -4.15 117.35 119.18 3hhl s TYR 94 Ca 0.16 -0.46 0.27 0.00 -1.01 0.00 0.00 57.07 56.03 3hhl s TYR 94 Cb -0.12 -0.87 1.04 0.00 -0.11 0.00 0.00 41.96 41.90 3hhl s TYR 94 CO 0.05 0.20 1.85 -0.35 -1.11 0.00 0.00 175.55 176.19 3hhl n PRO 95 N 0.86 0.11 -3.61 -1.71 -0.04 -1.26 -1.98 135.00 127.38 3hhl n PRO 95 Ca -0.18 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 3hhl n PRO 95 Cb 0.55 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.67 -0.37 0.20 3.54 1.04 -1.26 -3.55 113.70 109.62 3hhl s SER 96 Ca 0.12 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 3hhl s SER 96 Cb 0.16 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.95 3hhl s SER 96 CO 0.55 -0.95 1.73 0.58 0.98 0.00 0.00 173.24 176.13 3hhl h VAL 97 N 2.00 1.26 -0.41 5.02 2.07 -1.87 -2.87 116.25 121.45 3hhl h VAL 97 Ca -0.26 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3hhl h VAL 97 Cb 1.26 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3hhl h VAL 97 CO 0.30 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.42 3hhl h ALA 98 N 1.10 1.56 -0.65 1.67 0.00 -1.95 -1.23 119.26 119.76 3hhl h ALA 98 Ca 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hhl h ALA 98 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hhl h ALA 98 CO -0.01 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.73 3hhl h ALA 99 N 1.63 0.86 -0.33 0.00 0.00 -1.84 -0.81 119.26 118.78 3hhl h ALA 99 Ca 0.14 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3hhl h ALA 99 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hhl h ALA 99 CO -0.02 0.60 -0.38 0.35 0.00 0.00 0.00 179.25 179.80 3hhl h PHE 100 N 0.98 0.93 -0.62 0.00 3.57 -1.25 -2.83 116.94 117.73 3hhl h PHE 100 Ca 0.20 -0.27 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 3hhl h PHE 100 Cb 0.40 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3hhl h PHE 100 CO 0.03 1.04 0.03 0.28 -2.23 0.00 0.00 178.31 177.47 3hhl h VAL 101 N 0.64 1.26 0.00 1.41 2.07 -0.96 -2.20 116.25 118.48 3hhl h VAL 101 Ca 0.06 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3hhl h VAL 101 Cb 0.94 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hhl h VAL 101 CO 0.09 0.41 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 3hhl n GLU 102 N -4.19 0.16 0.00 1.57 -0.58 -0.34 -0.88 120.64 116.38 3hhl n GLU 102 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3hhl n GLU 102 Cb 0.33 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.78 0.00 0.64 -3.67 5.41 -0.83 -1.56 119.36 120.13 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 0.07 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.17 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 0.24 -2.01 0.38 1.74 -0.06 -4.56 116.66 112.39 3hhl n ARG 105 Ca 0.00 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3hhl n ARG 105 Cb 0.00 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 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 -3.98 6.66 0.36 0.55 2.15 -0.60 -4.83 116.67 116.97 3hhl s ASP 106 Ca 0.07 2.56 0.03 0.00 0.43 0.00 0.00 52.55 55.64 3hhl s ASP 106 Cb 0.14 -2.60 0.67 0.00 -0.30 0.00 0.00 42.92 40.83 3hhl s ASP 106 CO 0.72 -0.74 2.01 1.55 -0.17 0.00 0.00 175.17 178.54 3hhl h PRO 107 N 6.24 0.80 -0.66 4.34 0.13 -1.91 0.23 132.00 141.16 3hhl h PRO 107 Ca -0.44 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3hhl h PRO 107 Cb 1.21 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 3hhl h PRO 107 CO 0.86 0.53 0.11 0.28 -0.23 0.00 0.00 178.00 179.55 3hhl h VAL 108 N 0.82 1.26 -0.41 1.56 2.07 -1.97 -2.66 116.25 116.93 3hhl h VAL 108 Ca 0.24 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3hhl h VAL 108 Cb -0.04 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3hhl h VAL 108 CO -0.06 0.38 -0.05 0.22 0.02 0.00 0.00 177.57 178.09 3hhl h TYR 109 N 1.02 0.84 -0.19 1.57 3.20 -1.41 -1.93 116.97 120.06 3hhl h TYR 109 Ca 0.20 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3hhl h TYR 109 Cb 0.43 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3hhl h TYR 109 CO 0.03 0.86 0.15 0.00 -1.64 0.00 0.00 178.16 177.56 3hhl h ARG 110 N 0.58 0.00 0.11 1.82 3.08 -0.50 -0.36 114.38 119.10 3hhl h ARG 110 Ca 0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3hhl h ARG 110 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.63 3hhl h ARG 110 CO 0.03 0.00 -0.66 0.93 -1.07 0.00 0.00 179.97 179.20 3hhl h GLU 111 N 0.00 0.26 -0.87 0.04 4.39 -1.34 -3.35 114.58 113.71 3hhl h GLU 111 Ca 0.09 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.45 3hhl h GLU 111 Cb 0.38 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 3hhl h GLU 111 CO -0.00 1.19 0.56 0.00 -1.16 0.00 0.00 179.01 179.60 3hhl h ALA 112 N 0.09 1.59 0.00 3.43 0.00 -0.48 -3.35 119.26 120.54 3hhl h ALA 112 Ca -0.11 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 3hhl h ALA 112 Cb 1.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hhl h ALA 112 CO 0.12 0.27 1.47 1.55 0.00 0.00 0.00 179.25 182.66 3hhl n VAL 113 N -4.50 1.66 0.00 0.00 3.14 -0.24 -3.64 118.33 114.75 3hhl n VAL 113 Ca 0.14 -0.94 0.00 0.00 -2.96 0.00 0.00 64.34 60.57 3hhl n VAL 113 Cb 0.24 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 3hhl n VAL 113 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3hhl n HIS 115 N 3.80 0.00 -0.19 1.45 8.25 -1.26 -1.08 115.22 126.20 3hhl n HIS 115 Ca 0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.67 3hhl n HIS 115 Cb 0.21 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.33 3hhl n HIS 115 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3hhl h ARG 116 N 0.00 0.78 -0.77 -0.41 2.43 -1.81 -0.70 114.38 113.91 3hhl h ARG 116 Ca 0.00 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3hhl h ARG 116 Cb 0.00 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 3hhl h ARG 116 CO 0.00 0.67 0.50 1.96 -1.51 0.00 0.00 179.97 181.60 3hhl h GLN 117 N 0.71 0.85 0.00 0.20 4.20 -1.44 -0.58 115.11 119.05 3hhl h GLN 117 Ca 0.18 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.67 3hhl h GLN 117 Cb 0.17 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3hhl h GLN 117 CO -0.02 0.56 -0.81 0.00 -0.67 0.00 0.00 178.83 177.90 3hhl h ALA 118 N 1.57 0.66 0.19 3.87 0.00 -1.65 -3.36 119.26 120.53 3hhl h ALA 118 Ca 0.32 -0.73 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 3hhl h ALA 118 Cb 0.15 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hhl h ALA 118 CO -0.10 1.01 -1.53 0.00 0.00 0.00 0.00 179.25 178.62 3hhl h ALA 119 N 1.19 0.05 -2.70 0.00 0.00 0.33 -0.77 119.26 117.36 3hhl h ALA 119 Ca -0.01 -0.99 -0.58 0.00 0.00 0.00 0.00 54.91 53.33 3hhl h ALA 119 Cb 1.44 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 3hhl h ALA 119 CO 0.10 0.92 0.03 0.08 0.00 0.00 0.00 179.25 180.38 3hhl s VAL 120 N -2.61 5.08 -0.02 0.00 1.01 -0.47 -0.52 120.40 122.87 3hhl s VAL 120 Ca -0.10 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 3hhl s VAL 120 Cb 0.05 -3.92 -0.29 0.00 0.00 0.00 0.00 36.38 32.22 3hhl s VAL 120 CO 0.89 0.20 0.77 -0.08 0.00 0.00 0.00 175.10 176.88 3hhl h GLU 121 N 7.15 0.32 -1.79 2.72 4.81 -0.99 -3.44 114.58 123.36 3hhl h GLU 121 Ca -0.36 -0.55 0.02 0.00 -0.13 0.00 0.00 59.36 58.34 3hhl h GLU 121 Cb 1.16 0.21 -0.21 0.00 0.63 0.00 0.00 28.75 30.54 3hhl h GLU 121 CO 0.76 1.21 0.40 0.34 -0.73 0.00 0.00 179.01 180.99 3hhl s ASP 122 N -7.13 -0.49 0.21 1.04 2.15 -1.09 -2.93 116.67 108.43 3hhl s ASP 122 Ca -0.12 0.51 -0.22 0.00 0.43 0.00 0.00 52.55 53.14 3hhl s ASP 122 Cb 0.06 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 43.14 3hhl s ASP 122 CO 0.86 -0.47 0.66 -0.94 -0.17 0.00 0.00 175.17 175.11 3hhl s SER 123 N -1.22 -0.43 0.03 -0.34 1.04 -0.45 -0.66 113.70 111.68 3hhl s SER 123 Ca -0.05 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.18 3hhl s SER 123 Cb -0.00 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3hhl s SER 123 CO 0.04 -1.12 -0.17 -0.13 0.98 0.00 0.00 173.24 172.85 3hhl s ARG 124 N -3.80 1.18 -0.23 4.02 1.81 0.12 -4.51 118.95 117.53 3hhl s ARG 124 Ca 0.05 -0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 53.24 3hhl s ARG 124 Cb -0.03 -1.23 0.07 0.00 -0.45 0.00 0.00 34.95 33.32 3hhl s ARG 124 CO -0.04 0.31 0.06 -1.17 -0.68 0.00 0.00 175.30 173.77 3hhl s LEU 125 N -1.03 1.47 -0.18 2.53 2.96 -1.26 -1.11 118.68 122.07 3hhl s LEU 125 Ca 0.05 -1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 52.82 3hhl s LEU 125 Cb -0.08 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 3hhl s LEU 125 CO 0.01 -0.34 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.06 3hhl s ILE 126 N 1.79 4.04 -0.16 6.68 1.01 -0.23 -4.95 121.20 129.38 3hhl s ILE 126 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3hhl s ILE 126 Cb -0.17 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3hhl s ILE 126 CO -0.15 0.46 0.36 -0.60 0.00 0.00 0.00 174.94 175.01 3hhl s ARG 127 N 0.63 4.25 0.00 2.79 3.52 -1.26 -1.17 118.95 127.70 3hhl s ARG 127 Ca -0.01 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 3hhl s ARG 127 Cb -0.14 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3hhl s ARG 127 CO 0.02 0.15 0.00 1.28 -0.81 0.00 0.00 175.30 175.94 3hhl n LEU 128 N 3.84 0.00 -4.29 -0.88 4.32 0.36 -5.00 117.00 115.35 3hhl n LEU 128 Ca -0.10 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.58 3hhl n LEU 128 Cb 0.52 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.15 3hhl n LEU 128 CO 0.41 0.00 -0.56 -2.84 -1.22 0.00 0.00 177.39 173.17 3hhl s PRO 130 N 4.45 2.35 0.16 3.23 0.02 -1.26 -1.09 135.00 142.86 3hhl s PRO 130 Ca 0.00 -0.91 0.09 0.00 0.02 0.00 0.00 61.00 60.20 3hhl s PRO 130 Cb 0.00 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3hhl s PRO 130 CO 0.00 0.47 -0.14 -0.51 -0.33 0.00 0.00 177.00 176.49 3hhl s LEU 131 N -0.38 2.83 -0.01 -5.54 1.43 -1.26 -5.09 118.68 110.65 3hhl s LEU 131 Ca 0.03 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3hhl s LEU 131 Cb -0.12 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 3hhl s LEU 131 CO 0.01 0.13 1.88 -0.54 0.23 0.00 0.00 176.35 178.07 3hhl s LYS 132 N -2.58 4.08 0.00 1.70 1.02 -1.26 -4.84 119.74 117.86 3hhl s LYS 132 Ca 0.22 2.43 -0.12 0.00 0.02 0.00 0.00 55.97 58.51 3hhl s LYS 132 Cb -0.09 -4.12 -0.15 0.00 -0.52 0.00 0.00 37.83 32.94 3hhl s LYS 132 CO 0.13 -1.00 1.12 -0.35 -0.92 0.00 0.00 175.35 174.33 3hhl n PRO 133 N 7.50 0.00 0.00 -1.68 -0.04 -1.26 -5.41 135.00 134.11 3hhl n PRO 133 Ca 0.20 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 3hhl n PRO 133 Cb 0.42 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3hhl n PRO 133 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87