#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlu s LEU 2 N 0.00 1.72 0.03 4.03 1.43 -0.39 -4.96 118.68 120.54 2hlu s LEU 2 Ca 0.00 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 2hlu s LEU 2 Cb 0.00 0.33 -0.03 0.00 0.03 0.00 0.00 46.19 46.53 2hlu s LEU 2 CO 0.00 -0.98 -0.04 -1.58 0.23 0.00 0.00 176.35 173.98 2hlu s GLN 3 N -3.65 0.44 0.15 1.70 -0.44 -0.78 -1.46 119.66 115.62 2hlu s GLN 3 Ca 0.36 -0.82 -0.02 0.00 -2.50 0.00 0.00 55.36 52.38 2hlu s GLN 3 Cb 0.03 0.07 -0.04 0.00 -1.64 0.00 0.00 33.01 31.44 2hlu s GLN 3 CO 0.21 -0.05 0.11 1.52 0.50 0.00 0.00 175.29 177.58 2hlu s TYR 4 N -2.18 0.85 -0.02 1.67 -0.85 -0.29 -0.74 117.35 115.78 2hlu s TYR 4 Ca -0.08 -1.19 0.07 0.00 -0.52 0.00 0.00 57.07 55.35 2hlu s TYR 4 Cb -0.05 -0.43 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 2hlu s TYR 4 CO -0.03 -0.58 -0.24 0.50 -1.52 0.00 0.00 175.55 173.69 2hlu s ARG 5 N -4.06 1.98 -0.02 -3.49 3.52 0.01 -1.70 118.95 115.19 2hlu s ARG 5 Ca 0.26 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2hlu s ARG 5 Cb 0.07 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.58 2hlu s ARG 5 CO 0.04 0.49 -0.08 0.42 -0.81 0.00 0.00 175.30 175.35 2hlu s ILE 6 N -0.49 0.71 -0.05 4.11 1.01 0.37 -1.03 121.20 125.83 2hlu s ILE 6 Ca 0.07 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2hlu s ILE 6 Cb -0.10 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2hlu s ILE 6 CO -0.00 0.22 -0.07 -0.63 0.00 0.00 0.00 174.94 174.46 2hlu s ILE 7 N 0.12 3.67 -0.01 2.92 -1.09 -0.08 -0.62 121.20 126.11 2hlu s ILE 7 Ca -0.02 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2hlu s ILE 7 Cb -0.07 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 2hlu s ILE 7 CO 0.00 0.54 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.52 2hlu s VAL 8 N -0.86 0.34 0.03 2.92 1.01 -0.27 -1.28 120.40 122.29 2hlu s VAL 8 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2hlu s VAL 8 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2hlu s VAL 8 CO 0.03 0.12 -0.04 -0.62 0.00 0.00 0.00 175.10 174.59 2hlu s ASP 9 N 0.19 0.42 0.00 3.32 2.15 -0.31 -1.37 116.67 121.07 2hlu s ASP 9 Ca -0.02 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.34 2hlu s ASP 9 Cb -0.05 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2hlu s ASP 9 CO -0.00 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2hlu n GLY 10 N 1.24 0.87 3.41 2.66 0.00 -1.26 -0.70 105.19 111.40 2hlu n GLY 10 Ca -0.21 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2hlu n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hlu n ARG 11 N 0.00 2.22 0.00 1.61 0.63 0.26 -4.27 116.66 117.11 2hlu n ARG 11 Ca 0.00 -2.64 0.00 0.00 -0.92 0.00 0.00 57.85 54.29 2hlu n ARG 11 Cb 0.00 -3.48 0.00 0.00 0.45 0.00 0.00 32.46 29.43 2hlu n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2hlu n VAL 12 N 6.77 0.00 0.00 5.15 0.24 -1.26 -0.81 118.33 128.42 2hlu n VAL 12 Ca 0.48 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.65 2hlu n VAL 12 Cb 0.45 1.72 0.00 0.00 -1.47 0.00 0.00 33.84 34.53 2hlu n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hlu n GLN 13 N -0.01 2.05 -0.03 7.34 1.13 -1.26 -4.03 117.38 122.57 2hlu n GLN 13 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 2hlu n GLN 13 Cb 0.18 -0.89 0.40 0.00 0.11 0.00 0.00 30.24 30.05 2hlu n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hlu n GLY 14 N 2.12 -0.56 3.17 1.08 0.00 -1.26 -4.87 105.19 104.88 2hlu n GLY 14 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2hlu n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hlu s VAL 15 N -1.91 0.15 -0.05 1.61 -7.23 -1.26 -5.07 120.40 106.63 2hlu s VAL 15 Ca 0.25 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2hlu s VAL 15 Cb 0.12 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 2hlu s VAL 15 CO 0.19 -0.69 2.22 0.61 -0.31 0.00 0.00 175.10 177.13 2hlu n GLY 16 N -0.03 2.81 0.37 2.32 0.00 -1.26 -4.65 105.19 104.76 2hlu n GLY 16 Ca -0.11 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.71 2hlu n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hlu h PHE 17 N 1.36 0.87 -0.90 1.61 3.57 -1.89 -0.60 116.94 120.96 2hlu h PHE 17 Ca 0.07 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.75 2hlu h PHE 17 Cb 1.05 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 2hlu h PHE 17 CO 0.53 0.26 0.58 0.00 -2.23 0.00 0.00 178.31 177.44 2hlu h ARG 18 N 0.68 0.66 -0.28 1.11 3.08 -1.82 -0.56 114.38 117.25 2hlu h ARG 18 Ca 0.50 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.41 2hlu h ARG 18 Cb 0.87 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2hlu h ARG 18 CO -0.26 0.44 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.91 2hlu h TYR 19 N 0.68 0.78 -0.38 3.04 3.20 -1.50 -0.18 116.97 122.61 2hlu h TYR 19 Ca 0.45 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 62.10 2hlu h TYR 19 Cb 0.75 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2hlu h TYR 19 CO -0.00 0.94 0.25 0.74 -1.64 0.00 0.00 178.16 178.45 2hlu h PHE 20 N 0.39 0.47 -0.65 -3.82 0.04 -1.24 -1.04 116.94 111.09 2hlu h PHE 20 Ca 0.05 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.85 2hlu h PHE 20 Cb 0.80 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 2hlu h PHE 20 CO 0.07 0.29 0.41 0.28 -0.60 0.00 0.00 178.31 178.77 2hlu h VAL 21 N 0.51 1.12 -0.38 -0.55 2.07 -1.10 -0.84 116.25 117.08 2hlu h VAL 21 Ca 0.14 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2hlu h VAL 21 Cb -0.05 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 2hlu h VAL 21 CO -0.04 0.15 0.11 -0.61 0.02 0.00 0.00 177.57 177.21 2hlu h GLN 22 N 0.83 0.25 -0.07 1.57 5.75 -0.32 -0.86 115.11 122.25 2hlu h GLN 22 Ca 0.25 -0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.53 2hlu h GLN 22 Cb -0.04 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.46 2hlu h GLN 22 CO -0.08 0.16 -0.79 0.52 -2.65 0.00 0.00 178.83 175.99 2hlu h MET 23 N 0.25 0.49 -0.02 1.69 2.86 -0.87 -0.73 114.93 118.61 2hlu h MET 23 Ca 0.18 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.29 2hlu h MET 23 Cb 0.18 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2hlu h MET 23 CO -0.20 1.06 -0.44 0.93 1.06 0.00 0.00 176.91 179.32 2hlu h GLU 24 N 0.32 0.04 -0.14 1.72 4.39 -0.95 -0.66 114.58 119.31 2hlu h GLU 24 Ca -0.05 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2hlu h GLU 24 Cb 1.39 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2hlu h GLU 24 CO 0.14 0.48 -0.42 0.00 -1.16 0.00 0.00 179.01 178.05 2hlu h ALA 25 N 1.52 0.24 -0.64 3.43 0.00 -0.99 -3.27 119.26 119.54 2hlu h ALA 25 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2hlu h ALA 25 Cb 0.80 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2hlu h ALA 25 CO 0.06 0.35 0.14 0.22 0.00 0.00 0.00 179.25 180.03 2hlu h ASP 26 N 0.15 0.99 0.57 0.00 3.58 -0.85 -0.89 116.42 119.96 2hlu h ASP 26 Ca -0.01 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2hlu h ASP 26 Cb 1.04 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2hlu h ASP 26 CO 0.09 0.97 0.00 0.07 -2.88 0.00 0.00 179.24 177.49 2hlu h LYS 27 N 0.96 0.00 -0.04 0.28 5.09 -1.24 0.09 116.57 121.72 2hlu h LYS 27 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 2hlu h LYS 27 Cb 0.38 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.71 2hlu h LYS 27 CO 0.00 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.90 2hlu n ARG 28 N -2.42 2.20 -4.36 0.07 5.12 -0.76 -4.99 116.66 111.52 2hlu n ARG 28 Ca 0.01 -1.88 -0.37 0.00 -1.93 0.00 0.00 57.85 53.67 2hlu n ARG 28 Cb 0.19 -1.44 -0.07 0.00 -1.16 0.00 0.00 32.46 29.98 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hlu n LYS 29 N 1.30 -1.56 -1.04 5.56 4.76 0.02 -4.99 118.16 122.21 2hlu n LYS 29 Ca 0.14 0.20 -0.29 0.00 -2.87 0.00 0.00 58.31 55.49 2hlu n LYS 29 Cb 0.58 -4.51 0.17 0.00 -1.84 0.00 0.00 35.03 29.43 2hlu n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hlu s LEU 30 N -7.26 1.83 0.08 -0.35 1.43 -0.61 -5.00 118.68 108.80 2hlu s LEU 30 Ca 0.53 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.12 2hlu s LEU 30 Cb -0.30 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 2hlu s LEU 30 CO 0.99 -3.11 -0.11 0.00 0.23 0.00 0.00 176.35 174.34 2hlu s ALA 31 N -2.84 1.05 0.00 4.21 0.00 -1.09 -3.46 121.76 119.63 2hlu s ALA 31 Ca 0.65 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2hlu s ALA 31 Cb -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2hlu s ALA 31 CO 0.59 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.81 2hlu n GLY 32 N 1.01 0.77 3.16 0.00 0.00 -0.72 -0.86 105.19 108.55 2hlu n GLY 32 Ca -0.19 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2hlu n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2hlu s TRP 33 N -3.26 0.88 0.02 1.61 -2.14 0.10 -1.00 118.94 115.15 2hlu s TRP 33 Ca 0.00 -1.13 0.05 0.00 2.66 0.00 0.00 56.10 57.68 2hlu s TRP 33 Cb 0.00 -0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 29.83 2hlu s TRP 33 CO 0.00 -0.39 -0.16 0.54 -2.66 0.00 0.00 176.95 174.28 2hlu s VAL 34 N -3.90 1.27 0.14 -0.66 0.11 -0.22 -0.90 120.40 116.25 2hlu s VAL 34 Ca 0.20 -0.90 -0.15 0.00 -2.93 0.00 0.00 61.98 58.19 2hlu s VAL 34 Cb 0.07 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2hlu s VAL 34 CO -0.00 0.18 0.41 -1.59 -3.33 0.00 0.00 175.10 170.77 2hlu s LYS 35 N -0.83 1.14 0.11 1.54 -2.85 0.10 -1.28 119.74 117.67 2hlu s LYS 35 Ca 0.05 -0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 2hlu s LYS 35 Cb -0.07 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 2hlu s LYS 35 CO 0.01 -0.45 1.55 1.21 0.10 0.00 0.00 175.35 177.77 2hlu s ASN 36 N -2.84 6.66 0.36 0.03 2.47 -1.25 -0.96 114.94 119.40 2hlu s ASN 36 Ca 0.06 2.48 -0.08 0.00 0.42 0.00 0.00 52.86 55.74 2hlu s ASN 36 Cb 0.01 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.18 2hlu s ASN 36 CO -0.09 -0.80 0.68 -0.60 -3.72 0.00 0.00 177.10 172.57 2hlu s ARG 37 N 1.74 3.70 0.46 0.43 3.52 0.02 -4.84 118.95 123.97 2hlu s ARG 37 Ca 0.70 0.25 0.14 0.00 -0.13 0.00 0.00 55.73 56.68 2hlu s ARG 37 Cb -0.40 -2.50 1.08 0.00 -1.56 0.00 0.00 34.95 31.57 2hlu s ARG 37 CO 0.31 0.06 2.05 0.22 -0.81 0.00 0.00 175.30 177.13 2hlu h ASP 38 N 1.37 0.27 0.65 -2.12 3.58 -1.96 0.11 116.42 118.31 2hlu h ASP 38 Ca -0.47 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2hlu h ASP 38 Cb 1.19 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2hlu h ASP 38 CO 0.65 0.18 0.00 -0.78 -2.88 0.00 0.00 179.24 176.40 2hlu h ASP 39 N 0.31 0.00 0.00 2.28 3.58 -2.03 -3.46 116.42 117.10 2hlu h ASP 39 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2hlu h ASP 39 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2hlu h ASP 39 CO -0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 2hlu n GLY 40 N -0.32 0.58 3.88 -0.78 0.00 0.03 -5.10 105.19 103.48 2hlu n GLY 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2hlu n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hlu s ARG 41 N -0.99 0.85 0.05 1.61 1.81 -1.26 -4.84 118.95 116.18 2hlu s ARG 41 Ca 0.00 -0.19 -0.08 0.00 -1.72 0.00 0.00 55.73 53.73 2hlu s ARG 41 Cb 0.00 -1.85 -0.05 0.00 -0.45 0.00 0.00 34.95 32.60 2hlu s ARG 41 CO 0.00 -2.30 0.34 0.08 -0.68 0.00 0.00 175.30 172.74 2hlu s VAL 42 N -3.69 5.18 -0.03 3.52 1.01 -0.47 -0.80 120.40 125.12 2hlu s VAL 42 Ca 0.70 0.34 0.06 0.00 0.00 0.00 0.00 61.98 63.07 2hlu s VAL 42 Cb -0.07 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2hlu s VAL 42 CO 0.52 0.33 -0.21 -0.70 0.00 0.00 0.00 175.10 175.04 2hlu s GLU 43 N -1.82 1.96 0.01 2.72 2.12 -0.14 -1.11 118.70 122.44 2hlu s GLU 43 Ca 0.30 -0.77 0.09 0.00 0.36 0.00 0.00 54.97 54.95 2hlu s GLU 43 Cb -0.14 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 2hlu s GLU 43 CO 0.17 0.39 -0.26 0.42 -0.54 0.00 0.00 175.26 175.44 2hlu s ILE 44 N -0.29 2.11 -0.07 -3.70 1.01 0.21 -0.72 121.20 119.74 2hlu s ILE 44 Ca 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 2hlu s ILE 44 Cb -0.10 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2hlu s ILE 44 CO 0.01 0.48 0.14 -0.22 0.00 0.00 0.00 174.94 175.35 2hlu s LEU 45 N -0.91 0.11 0.02 2.97 0.20 -0.08 -0.48 118.68 120.51 2hlu s LEU 45 Ca 0.11 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.23 2hlu s LEU 45 Cb -0.10 0.24 -0.02 0.00 -0.43 0.00 0.00 46.19 45.88 2hlu s LEU 45 CO 0.00 -0.23 -0.04 0.00 -0.29 0.00 0.00 176.35 175.80 2hlu s ALA 46 N 2.06 0.24 0.15 5.97 0.00 -0.69 -0.72 121.76 128.76 2hlu s ALA 46 Ca 0.01 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.51 2hlu s ALA 46 Cb -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2hlu s ALA 46 CO -0.05 -0.09 -0.20 -1.83 0.00 0.00 0.00 175.76 173.58 2hlu s GLU 47 N -1.26 1.25 0.00 0.00 -1.05 -0.04 -1.14 118.70 116.47 2hlu s GLU 47 Ca -0.12 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 2hlu s GLU 47 Cb -0.08 -1.42 0.00 0.00 -0.44 0.00 0.00 34.13 32.19 2hlu s GLU 47 CO -0.00 0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.92 2hlu n GLY 48 N 0.57 -1.42 3.65 -3.83 0.00 -0.54 -2.66 105.19 100.97 2hlu n GLY 48 Ca -0.15 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 2hlu n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hlu n PRO 49 N -0.02 1.01 -0.19 1.61 -0.02 -1.26 -1.27 135.00 134.86 2hlu n PRO 49 Ca 0.00 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2hlu n PRO 49 Cb 0.00 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2hlu n PRO 49 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hlu h GLU 50 N 0.58 0.71 -0.61 -0.52 4.81 -1.94 -0.89 114.58 116.73 2hlu h GLU 50 Ca -0.49 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2hlu h GLU 50 Cb 1.35 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2hlu h GLU 50 CO 0.52 0.47 0.28 -0.97 -0.73 0.00 0.00 179.01 178.58 2hlu h ASN 51 N 0.73 0.81 -0.34 1.04 -0.73 -1.99 0.27 115.58 115.37 2hlu h ASN 51 Ca 0.21 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2hlu h ASN 51 Cb -0.06 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 2hlu h ASN 51 CO -0.06 0.73 0.09 0.00 -0.37 0.00 0.00 177.43 177.82 2hlu h ALA 52 N 1.11 0.45 -0.24 1.57 0.00 -1.85 -0.73 119.26 119.57 2hlu h ALA 52 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2hlu h ALA 52 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hlu h ALA 52 CO -0.02 0.10 0.11 -0.07 0.00 0.00 0.00 179.25 179.37 2hlu h LEU 53 N 0.40 0.32 -0.44 0.00 3.38 -0.95 -0.59 115.31 117.44 2hlu h LEU 53 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2hlu h LEU 53 Cb 0.28 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2hlu h LEU 53 CO -0.00 0.38 0.25 1.56 0.09 0.00 0.00 178.44 180.72 2hlu h GLN 54 N 0.25 0.60 -0.68 1.13 4.20 -0.84 -0.46 115.11 119.30 2hlu h GLN 54 Ca 0.08 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2hlu h GLN 54 Cb 0.15 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2hlu h GLN 54 CO -0.01 0.46 0.45 0.77 -0.67 0.00 0.00 178.83 179.83 2hlu h SER 55 N 0.57 0.76 0.39 1.46 0.02 -0.98 -1.29 113.55 114.49 2hlu h SER 55 Ca 0.16 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 2hlu h SER 55 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2hlu h SER 55 CO -0.03 0.55 -0.58 0.15 -1.14 0.00 0.00 176.83 175.78 2hlu h PHE 56 N 0.90 0.24 -0.46 3.45 3.57 -0.33 -0.58 116.94 123.74 2hlu h PHE 56 Ca 0.26 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2hlu h PHE 56 Cb -0.06 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2hlu h PHE 56 CO -0.00 0.72 0.22 0.28 -2.23 0.00 0.00 178.31 177.30 2hlu h VAL 57 N 0.14 1.19 -0.48 1.41 2.07 -0.25 -0.31 116.25 120.01 2hlu h VAL 57 Ca -0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2hlu h VAL 57 Cb 1.06 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2hlu h VAL 57 CO 0.09 0.20 0.26 -0.33 0.02 0.00 0.00 177.57 177.81 2hlu h GLU 58 N 0.59 0.65 0.29 1.57 5.08 -0.81 0.33 114.58 122.29 2hlu h GLU 58 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2hlu h GLU 58 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2hlu h GLU 58 CO -0.02 0.48 -0.14 0.00 -1.00 0.00 0.00 179.01 178.33 2hlu h ALA 59 N 1.63 -0.40 -0.69 3.43 0.00 -0.87 -3.28 119.26 119.08 2hlu h ALA 59 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hlu h ALA 59 Cb 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2hlu h ALA 59 CO -0.03 -0.58 0.43 0.28 0.00 0.00 0.00 179.25 179.35 2hlu h VAL 60 N -0.67 1.19 0.00 0.00 2.07 -0.39 -2.24 116.25 116.21 2hlu h VAL 60 Ca -0.04 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2hlu h VAL 60 Cb 0.47 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2hlu h VAL 60 CO 0.07 0.19 0.00 2.29 0.02 0.00 0.00 177.57 180.14 2hlu n LYS 61 N -4.57 0.17 0.24 1.57 2.85 0.04 -1.09 118.16 117.37 2hlu n LYS 61 Ca 0.06 0.48 0.08 0.00 -1.05 0.00 0.00 58.31 57.88 2hlu n LYS 61 Cb 0.04 -1.88 0.60 0.00 -0.65 0.00 0.00 35.03 33.14 2hlu n LYS 61 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2hlu h ASN 62 N 0.00 0.00 0.00 -5.58 -0.73 -1.46 -3.47 115.58 104.34 2hlu h ASN 62 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2hlu h ASN 62 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hlu h ASN 62 CO 0.00 0.16 0.00 0.61 -0.37 0.00 0.00 177.43 177.83 2hlu n GLY 63 N -0.87 0.89 3.65 1.57 0.00 -0.25 -4.68 105.19 105.49 2hlu n GLY 63 Ca -0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2hlu n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hlu s SER 64 N -4.00 -0.15 0.63 1.61 0.01 -0.21 -4.68 113.70 106.90 2hlu s SER 64 Ca 0.00 -0.79 0.23 0.00 1.31 0.00 0.00 55.95 56.70 2hlu s SER 64 Cb 0.00 0.62 1.09 0.00 0.21 0.00 0.00 66.02 67.94 2hlu s SER 64 CO 0.00 -1.18 1.59 -0.65 0.41 0.00 0.00 173.24 173.41 2hlu h PRO 65 N 2.19 0.00 -0.15 12.44 0.11 -2.00 -1.44 132.00 143.15 2hlu h PRO 65 Ca -0.25 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.68 2hlu h PRO 65 Cb 1.25 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.04 2hlu h PRO 65 CO 0.33 0.00 -0.94 1.19 -0.21 0.00 0.00 178.00 178.37 2hlu n PHE 66 N -3.10 0.48 -3.72 0.65 3.72 -1.26 -5.08 117.46 109.15 2hlu n PHE 66 Ca 0.06 -1.17 -0.14 0.00 -0.05 0.00 0.00 57.45 56.16 2hlu n PHE 66 Cb 0.83 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 39.09 2hlu n PHE 66 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hlu s SER 67 N -2.74 -0.26 -0.27 4.37 0.01 -0.54 -4.72 113.70 109.55 2hlu s SER 67 Ca 0.35 0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 2hlu s SER 67 Cb 0.37 0.36 0.09 0.00 0.21 0.00 0.00 66.02 67.05 2hlu s SER 67 CO -0.11 -0.50 0.08 -0.75 0.41 0.00 0.00 173.24 172.37 2hlu s LYS 68 N -1.52 0.62 0.34 12.44 2.20 0.01 -1.04 119.74 132.79 2hlu s LYS 68 Ca -0.12 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 2hlu s LYS 68 Cb -0.04 -1.90 -0.11 0.00 -1.51 0.00 0.00 37.83 34.28 2hlu s LYS 68 CO 0.04 -0.88 1.49 0.54 -0.36 0.00 0.00 175.35 176.18 2hlu s VAL 69 N 1.77 2.18 0.00 4.02 0.11 -1.26 -0.58 120.40 126.64 2hlu s VAL 69 Ca 0.06 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2hlu s VAL 69 Cb -0.17 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2hlu s VAL 69 CO -0.22 0.04 0.00 0.35 -3.33 0.00 0.00 175.10 171.94 2hlu n THR 70 N 1.17 0.00 -3.73 5.04 -2.24 0.12 -4.89 114.28 109.75 2hlu n THR 70 Ca 0.03 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 2hlu n THR 70 Cb 0.39 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 2hlu n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hlu s ASP 71 N -1.11 -0.37 -0.01 3.42 2.15 -0.89 -4.99 116.67 114.87 2hlu s ASP 71 Ca 0.00 0.57 -0.05 0.00 0.43 0.00 0.00 52.55 53.50 2hlu s ASP 71 Cb 0.00 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2hlu s ASP 71 CO 0.00 -0.28 0.11 -0.51 -0.17 0.00 0.00 175.17 174.32 2hlu s ILE 72 N -0.42 0.06 0.03 4.11 2.07 -1.26 -1.16 121.20 124.63 2hlu s ILE 72 Ca -0.05 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 58.72 2hlu s ILE 72 Cb -0.03 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 2hlu s ILE 72 CO 0.03 -0.26 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.32 2hlu s SER 73 N -0.87 0.42 0.00 4.50 0.01 -0.41 -4.99 113.70 112.37 2hlu s SER 73 Ca -0.10 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 2hlu s SER 73 Cb -0.06 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2hlu s SER 73 CO 0.01 -0.33 0.01 -0.69 0.41 0.00 0.00 173.24 172.65 2hlu s VAL 74 N -1.84 0.06 -0.04 3.43 1.01 -1.26 -0.90 120.40 120.85 2hlu s VAL 74 Ca -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2hlu s VAL 74 Cb -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2hlu s VAL 74 CO -0.02 -0.26 -0.04 -0.89 0.00 0.00 0.00 175.10 173.89 2hlu s THR 75 N -0.79 0.47 0.06 3.92 2.01 -0.20 -5.01 115.64 116.12 2hlu s THR 75 Ca -0.09 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.85 2hlu s THR 75 Cb -0.05 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2hlu s THR 75 CO -0.00 0.21 0.08 -1.83 -0.69 0.00 0.00 174.62 172.39 2hlu s GLU 76 N 0.92 2.94 -0.08 4.92 4.04 -1.26 -0.81 118.70 129.36 2hlu s GLU 76 Ca -0.11 -0.64 -0.07 0.00 0.04 0.00 0.00 54.97 54.19 2hlu s GLU 76 Cb -0.14 -2.76 0.03 0.00 0.02 0.00 0.00 34.13 31.27 2hlu s GLU 76 CO -0.00 0.58 0.21 -1.12 -1.84 0.00 0.00 175.26 173.09 2hlu s SER 77 N -2.26 -0.22 -0.52 0.83 0.01 0.08 -4.97 113.70 106.65 2hlu s SER 77 Ca 0.28 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.93 2hlu s SER 77 Cb -0.12 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.55 2hlu s SER 77 CO 0.21 -0.10 2.82 0.54 0.41 0.00 0.00 173.24 177.12 2hlu n ARG 78 N 3.30 2.62 -3.32 12.44 3.00 -1.26 -1.86 116.66 131.58 2hlu n ARG 78 Ca -0.16 -2.34 -0.23 0.00 -0.01 0.00 0.00 57.85 55.11 2hlu n ARG 78 Cb 0.57 -2.19 -0.09 0.00 0.00 0.00 0.00 32.46 30.75 2hlu n ARG 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2hlu s SER 79 N 0.53 1.25 0.51 0.55 0.01 -1.26 -5.02 113.70 110.28 2hlu s SER 79 Ca 0.59 -2.60 -0.22 0.00 1.31 0.00 0.00 55.95 55.03 2hlu s SER 79 Cb 0.35 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.51 2hlu s SER 79 CO -0.19 -0.19 1.32 -0.76 0.41 0.00 0.00 173.24 173.84 2hlu s LEU 80 N 0.47 3.93 0.19 2.44 1.02 -1.26 -4.67 118.68 120.79 2hlu s LEU 80 Ca 0.28 2.68 0.16 0.00 0.02 0.00 0.00 54.13 57.28 2hlu s LEU 80 Cb -0.03 -4.22 -0.02 0.00 0.02 0.00 0.00 46.19 41.95 2hlu s LEU 80 CO -0.13 -1.37 1.17 -0.33 0.02 0.00 0.00 176.35 175.71 2hlu h GLU 81 N 1.72 0.00 -2.21 1.70 4.39 -1.96 -3.49 114.58 114.74 2hlu h GLU 81 Ca -0.50 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.87 2hlu h GLU 81 Cb 1.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2hlu h GLU 81 CO 0.58 0.37 -0.41 0.41 -1.16 0.00 0.00 179.01 178.81 2hlu n GLY 82 N 1.29 -0.17 3.74 -3.84 0.00 -1.26 -5.03 105.19 99.93 2hlu n GLY 82 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2hlu n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hlu s HIS 83 N -2.80 2.39 0.00 1.61 3.76 -1.26 -5.03 115.29 113.96 2hlu s HIS 83 Ca 0.00 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 2hlu s HIS 83 Cb 0.00 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.39 2hlu s HIS 83 CO 0.00 -2.49 0.38 0.72 -0.85 0.00 0.00 174.74 172.50 2hlu n HIS 84 N -3.88 0.00 -4.00 1.40 8.25 -1.26 -4.91 115.22 110.81 2hlu n HIS 84 Ca 0.06 -0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 2hlu n HIS 84 Cb 0.58 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 2hlu n HIS 84 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2hlu s ARG 85 N -0.04 1.44 0.18 -0.41 1.70 -1.26 -5.01 118.95 115.55 2hlu s ARG 85 Ca 0.00 -1.26 -0.10 0.00 -0.47 0.00 0.00 55.73 53.90 2hlu s ARG 85 Cb 0.00 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 2hlu s ARG 85 CO 0.00 -0.58 0.51 0.12 -1.08 0.00 0.00 175.30 174.27 2hlu s PHE 86 N -4.02 3.49 0.07 5.89 5.36 -1.22 -1.75 117.98 125.79 2hlu s PHE 86 Ca 0.23 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2hlu s PHE 86 Cb 0.01 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 2hlu s PHE 86 CO 0.07 0.36 -0.05 -1.12 -1.46 0.00 0.00 175.22 173.02 2hlu s SER 87 N -2.16 0.79 -0.15 6.13 0.01 -0.17 -4.89 113.70 113.27 2hlu s SER 87 Ca 0.43 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2hlu s SER 87 Cb -0.12 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2hlu s SER 87 CO 0.21 -0.51 0.05 -0.63 0.41 0.00 0.00 173.24 172.77 2hlu s ILE 88 N -3.59 4.72 0.03 1.44 1.01 -1.26 -1.06 121.20 122.49 2hlu s ILE 88 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.69 2hlu s ILE 88 Cb 0.05 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2hlu s ILE 88 CO -0.07 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.60 2hlu s VAL 89 N -0.18 0.80 0.00 2.92 1.01 -0.40 -4.94 120.40 119.60 2hlu s VAL 89 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2hlu s VAL 89 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2hlu s VAL 89 CO 0.01 -0.10 0.19 0.00 0.00 0.00 0.00 175.10 175.21 2hlu n TYR 90 N 1.96 0.00 0.00 5.22 0.18 -1.26 -3.89 117.16 119.37 2hlu n TYR 90 Ca -0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.59 2hlu n TYR 90 Cb 0.55 0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21