#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 1.49 0.01 4.03 2.96 -0.17 -4.95 118.68 122.05 2hlu s LEU 2 Ca 0.00 -1.50 -0.12 0.00 -0.22 0.00 0.00 54.13 52.28 2hlu s LEU 2 Cb 0.00 0.29 0.02 0.00 0.50 0.00 0.00 46.19 47.00 2hlu s LEU 2 CO 0.00 -0.87 0.26 -1.58 -1.32 0.00 0.00 176.35 172.84 2hlu s GLN 3 N -3.92 0.67 0.20 1.98 0.74 -1.11 -1.42 119.66 116.81 2hlu s GLN 3 Ca 0.38 -0.36 -0.07 0.00 0.05 0.00 0.00 55.36 55.36 2hlu s GLN 3 Cb 0.06 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 2hlu s GLN 3 CO 0.16 -0.19 0.29 1.52 -0.55 0.00 0.00 175.29 176.53 2hlu s TYR 4 N -1.77 0.64 -0.03 1.67 -0.85 -0.38 -1.06 117.35 115.57 2hlu s TYR 4 Ca -0.11 -0.96 0.05 0.00 -0.52 0.00 0.00 57.07 55.53 2hlu s TYR 4 Cb -0.04 -0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.14 2hlu s TYR 4 CO 0.01 -0.78 -0.17 0.50 -1.52 0.00 0.00 175.55 173.59 2hlu s ARG 5 N -4.05 1.52 0.01 -3.49 3.52 0.05 -1.72 118.95 114.80 2hlu s ARG 5 Ca 0.26 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 2hlu s ARG 5 Cb 0.03 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 32.01 2hlu s ARG 5 CO 0.07 0.31 -0.08 0.42 -0.81 0.00 0.00 175.30 175.21 2hlu s ILE 6 N -0.20 0.61 0.03 4.11 1.01 0.39 -0.81 121.20 126.34 2hlu s ILE 6 Ca 0.02 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2hlu s ILE 6 Cb -0.09 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 2hlu s ILE 6 CO 0.01 0.03 -0.26 -0.63 0.00 0.00 0.00 174.94 174.08 2hlu s ILE 7 N -0.49 2.10 -0.03 2.92 -1.09 -0.27 -0.62 121.20 123.73 2hlu s ILE 7 Ca -0.00 -1.30 0.01 0.00 -2.23 0.00 0.00 60.65 57.13 2hlu s ILE 7 Cb -0.05 -1.78 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2hlu s ILE 7 CO 0.00 0.43 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.42 2hlu s VAL 8 N -0.74 0.36 0.18 2.92 1.01 -0.38 -1.02 120.40 122.74 2hlu s VAL 8 Ca 0.11 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.13 2hlu s VAL 8 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2hlu s VAL 8 CO 0.01 0.16 -0.22 -0.62 0.00 0.00 0.00 175.10 174.43 2hlu s ASP 9 N 0.66 3.56 0.00 3.32 2.15 -0.09 -1.42 116.67 124.84 2hlu s ASP 9 Ca -0.08 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.10 2hlu s ASP 9 Cb -0.11 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 2hlu s ASP 9 CO -0.01 0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 2hlu n GLY 10 N 0.30 0.70 3.57 2.66 0.00 -1.26 -0.84 105.19 110.32 2hlu n GLY 10 Ca -0.13 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 2hlu n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hlu s ARG 11 N -1.08 3.07 0.00 1.61 3.52 -0.12 -4.53 118.95 121.42 2hlu s ARG 11 Ca 0.00 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.31 2hlu s ARG 11 Cb 0.00 -5.32 0.00 0.00 -1.56 0.00 0.00 34.95 28.07 2hlu s ARG 11 CO 0.00 -3.19 0.68 1.33 -0.81 0.00 0.00 175.30 173.31 2hlu n VAL 12 N 7.29 0.37 -4.11 7.11 0.24 -1.26 -0.75 118.33 127.22 2hlu n VAL 12 Ca 0.44 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 62.27 2hlu n VAL 12 Cb 0.47 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.58 2hlu n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2hlu s GLN 13 N -0.37 0.99 0.00 7.34 -0.21 -1.26 -4.52 119.66 121.63 2hlu s GLN 13 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.98 2hlu s GLN 13 Cb 0.00 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.28 2hlu s GLN 13 CO 0.00 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 2hlu n GLY 14 N -0.13 1.49 3.71 3.09 0.00 -1.26 -4.91 105.19 107.17 2hlu n GLY 14 Ca -0.05 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2hlu n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hlu n VAL 15 N 0.00 4.61 0.75 1.61 0.24 -1.26 -4.91 118.33 119.38 2hlu n VAL 15 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2hlu n VAL 15 Cb 0.00 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 30.95 2hlu n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hlu n GLY 16 N 0.97 1.90 0.29 7.63 0.00 -1.26 -4.52 105.19 110.21 2hlu n GLY 16 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 0.29 0.34 -0.60 1.61 3.57 -1.91 -1.27 116.94 118.97 2hlu h PHE 17 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 2hlu h PHE 17 Cb 0.92 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 2hlu h PHE 17 CO 0.03 0.22 0.19 0.00 -2.23 0.00 0.00 178.31 176.51 2hlu h ARG 18 N 0.37 0.33 -0.09 1.11 3.08 -1.82 -0.05 114.38 117.31 2hlu h ARG 18 Ca 0.10 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 2hlu h ARG 18 Cb -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2hlu h ARG 18 CO -0.02 0.22 -0.78 1.88 -1.07 0.00 0.00 179.97 180.20 2hlu h TYR 19 N 0.34 0.75 -0.06 3.04 0.05 -1.64 -1.77 116.97 117.70 2hlu h TYR 19 Ca 0.31 -0.34 0.03 0.00 0.05 0.00 0.00 58.73 58.77 2hlu h TYR 19 Cb 0.42 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 2hlu h TYR 19 CO -0.20 1.14 -0.12 0.35 -1.05 0.00 0.00 178.16 178.28 2hlu h PHE 20 N 0.37 -0.30 -0.80 4.88 3.57 -0.62 -0.48 116.94 123.56 2hlu h PHE 20 Ca -0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2hlu h PHE 20 Cb 1.39 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 2hlu h PHE 20 CO 0.06 -0.18 0.44 0.28 -2.23 0.00 0.00 178.31 176.69 2hlu h VAL 21 N -0.18 1.24 -0.27 1.41 2.07 -1.03 -0.66 116.25 118.83 2hlu h VAL 21 Ca 0.06 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2hlu h VAL 21 Cb 0.26 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2hlu h VAL 21 CO -0.16 0.26 0.02 -0.61 0.02 0.00 0.00 177.57 177.10 2hlu h GLN 22 N 1.11 0.11 -0.17 1.57 5.75 -0.68 -0.86 115.11 121.94 2hlu h GLN 22 Ca 0.28 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.58 2hlu h GLN 22 Cb 0.02 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2hlu h GLN 22 CO -0.05 0.07 -0.66 0.52 -2.65 0.00 0.00 178.83 176.06 2hlu h MET 23 N 0.11 0.65 0.00 1.69 2.86 -0.76 -1.10 114.93 118.38 2hlu h MET 23 Ca 0.13 -0.47 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 2hlu h MET 23 Cb 0.16 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hlu h MET 23 CO -0.20 1.09 -0.40 0.93 1.06 0.00 0.00 176.91 179.40 2hlu h GLU 24 N 0.47 0.00 -0.08 1.72 4.39 -0.93 -0.42 114.58 119.72 2hlu h GLU 24 Ca -0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2hlu h GLU 24 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2hlu h GLU 24 CO 0.13 0.40 -0.36 0.00 -1.16 0.00 0.00 179.01 178.02 2hlu h ALA 25 N 1.60 0.16 -0.39 3.43 0.00 -1.01 -3.30 119.26 119.76 2hlu h ALA 25 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2hlu h ALA 25 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2hlu h ALA 25 CO 0.05 0.24 0.07 0.22 0.00 0.00 0.00 179.25 179.83 2hlu h ASP 26 N -0.07 0.60 0.17 0.00 3.58 -0.85 -1.25 116.42 118.60 2hlu h ASP 26 Ca -0.02 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2hlu h ASP 26 Cb 1.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2hlu h ASP 26 CO 0.07 0.70 0.00 0.07 -2.88 0.00 0.00 179.24 177.20 2hlu h LYS 27 N 0.48 0.00 -0.26 0.28 5.09 -1.23 -1.20 116.57 119.72 2hlu h LYS 27 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.86 2hlu h LYS 27 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 2hlu h LYS 27 CO 0.01 0.00 0.00 -2.13 -2.09 0.00 0.00 179.45 175.24 2hlu n ARG 28 N -2.48 2.24 -2.97 0.07 3.00 -0.67 -4.99 116.66 110.86 2hlu n ARG 28 Ca -0.01 -1.82 -0.17 0.00 -0.00 0.00 0.00 57.85 55.85 2hlu n ARG 28 Cb 0.09 -1.26 -0.01 0.00 0.00 0.00 0.00 32.46 31.28 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hlu n LYS 29 N 0.57 -2.87 -1.48 -0.14 5.02 -0.46 -4.98 118.16 113.83 2hlu n LYS 29 Ca 0.10 0.44 -0.30 0.00 -2.02 0.00 0.00 58.31 56.54 2hlu n LYS 29 Cb 0.39 -5.08 0.11 0.00 -0.02 0.00 0.00 35.03 30.43 2hlu n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hlu s LEU 30 N -6.01 2.41 0.03 -0.35 1.43 -0.60 -4.99 118.68 110.59 2hlu s LEU 30 Ca 0.22 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2hlu s LEU 30 Cb -0.12 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2hlu s LEU 30 CO 0.28 -2.22 -0.04 0.00 0.23 0.00 0.00 176.35 174.60 2hlu s ALA 31 N -3.13 0.23 0.00 4.21 0.00 -1.09 -3.91 121.76 118.06 2hlu s ALA 31 Ca 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2hlu s ALA 31 Cb -0.15 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2hlu s ALA 31 CO 0.55 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2hlu n GLY 32 N 1.43 0.64 3.16 0.00 0.00 -0.69 -0.93 105.19 108.81 2hlu n GLY 32 Ca -0.23 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.94 0.82 -0.00 1.61 -2.14 0.16 -1.00 118.94 114.45 2hlu s TRP 33 Ca 0.00 -1.20 0.04 0.00 2.66 0.00 0.00 56.10 57.60 2hlu s TRP 33 Cb 0.00 -0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 29.91 2hlu s TRP 33 CO 0.00 -0.53 -0.11 0.54 -2.66 0.00 0.00 176.95 174.19 2hlu s VAL 34 N -4.04 0.90 0.07 -0.66 0.11 -0.20 -1.04 120.40 115.55 2hlu s VAL 34 Ca 0.23 -0.56 -0.18 0.00 -2.93 0.00 0.00 61.98 58.54 2hlu s VAL 34 Cb 0.07 -0.77 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2hlu s VAL 34 CO 0.01 0.20 0.42 -1.59 -3.33 0.00 0.00 175.10 170.81 2hlu s LYS 35 N -0.41 0.99 0.53 1.54 -2.85 0.27 -1.18 119.74 118.63 2hlu s LYS 35 Ca 0.04 -0.48 -0.22 0.00 -1.00 0.00 0.00 55.97 54.31 2hlu s LYS 35 Cb -0.05 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 2hlu s LYS 35 CO -0.00 -0.36 1.31 1.21 0.10 0.00 0.00 175.35 177.61 2hlu s ASN 36 N -2.30 5.44 -0.05 0.03 2.47 -1.21 -1.06 114.94 118.27 2hlu s ASN 36 Ca -0.02 2.66 0.04 0.00 0.42 0.00 0.00 52.86 55.96 2hlu s ASN 36 Cb 0.00 -2.63 -0.02 0.00 -1.45 0.00 0.00 41.25 37.15 2hlu s ASN 36 CO -0.06 -1.44 -0.17 -0.13 -3.72 0.00 0.00 177.10 171.58 2hlu s ARG 37 N -2.88 2.46 0.58 0.43 0.52 -0.21 -4.48 118.95 115.37 2hlu s ARG 37 Ca 0.70 -0.74 0.27 0.00 -0.52 0.00 0.00 55.73 55.44 2hlu s ARG 37 Cb -0.38 -2.32 1.69 0.00 0.52 0.00 0.00 34.95 34.47 2hlu s ARG 37 CO 0.45 0.59 2.19 0.22 0.02 0.00 0.00 175.30 178.77 2hlu h ASP 38 N 5.43 0.00 -0.75 0.23 3.58 -1.90 -0.09 116.42 122.91 2hlu h ASP 38 Ca -0.45 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.18 2hlu h ASP 38 Cb 1.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 2hlu h ASP 38 CO 0.50 0.00 0.51 -0.78 -2.88 0.00 0.00 179.24 176.59 2hlu h ASP 39 N 0.00 0.26 0.00 2.28 1.82 -2.02 -3.46 116.42 115.30 2hlu h ASP 39 Ca 0.03 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2hlu h ASP 39 Cb 0.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2hlu h ASP 39 CO -0.00 0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 2hlu n GLY 40 N -1.57 0.66 3.50 -0.78 0.00 -0.05 -5.12 105.19 101.83 2hlu n GLY 40 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2hlu n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hlu n ARG 41 N 0.00 -1.48 -4.41 1.61 1.74 -1.25 -4.75 116.66 108.12 2hlu n ARG 41 Ca 0.00 -0.39 -0.30 0.00 -0.77 0.00 0.00 57.85 56.39 2hlu n ARG 41 Cb 0.00 -2.12 -0.11 0.00 -1.02 0.00 0.00 32.46 29.21 2hlu n ARG 41 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hlu s VAL 42 N -2.45 3.13 -0.02 1.55 1.01 -0.51 -1.05 120.40 122.07 2hlu s VAL 42 Ca 0.65 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2hlu s VAL 42 Cb -0.22 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2hlu s VAL 42 CO 0.63 0.22 -0.20 -0.70 0.00 0.00 0.00 175.10 175.05 2hlu s GLU 43 N -1.84 2.24 0.03 2.72 2.12 -0.22 -1.25 118.70 122.50 2hlu s GLU 43 Ca 0.18 -0.86 0.05 0.00 0.36 0.00 0.00 54.97 54.70 2hlu s GLU 43 Cb -0.11 -2.20 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 2hlu s GLU 43 CO 0.09 0.58 -0.15 0.42 -0.54 0.00 0.00 175.26 175.66 2hlu s ILE 44 N -0.73 1.23 -0.07 -3.70 1.01 0.21 -0.56 121.20 118.58 2hlu s ILE 44 Ca 0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2hlu s ILE 44 Cb -0.10 -1.09 0.04 0.00 0.01 0.00 0.00 42.46 41.31 2hlu s ILE 44 CO 0.01 0.08 0.16 -0.22 0.00 0.00 0.00 174.94 174.97 2hlu s LEU 45 N -1.06 0.54 0.03 2.97 0.20 -0.20 -0.46 118.68 120.69 2hlu s LEU 45 Ca 0.03 0.34 -0.04 0.00 0.69 0.00 0.00 54.13 55.15 2hlu s LEU 45 Cb -0.08 0.40 -0.01 0.00 -0.43 0.00 0.00 46.19 46.07 2hlu s LEU 45 CO 0.01 -0.17 0.06 0.00 -0.29 0.00 0.00 176.35 175.97 2hlu s ALA 46 N 1.38 -0.04 0.16 5.97 0.00 -0.70 -0.67 121.76 127.87 2hlu s ALA 46 Ca -0.07 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.46 2hlu s ALA 46 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2hlu s ALA 46 CO -0.06 -0.25 -0.18 -1.83 0.00 0.00 0.00 175.76 173.43 2hlu s GLU 47 N -2.11 1.26 0.00 0.00 -1.05 -0.10 -1.26 118.70 115.44 2hlu s GLU 47 Ca -0.09 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 2hlu s GLU 47 Cb -0.04 -1.31 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 2hlu s GLU 47 CO -0.03 0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.86 2hlu n GLY 48 N 0.32 -1.11 3.69 -3.83 0.00 -0.51 -2.69 105.19 101.07 2hlu n GLY 48 Ca -0.13 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 1.66 -0.03 1.61 -0.02 -1.26 -1.00 135.00 135.96 2hlu n PRO 49 Ca 0.00 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 2hlu n PRO 49 Cb 0.00 -2.37 0.32 0.00 -0.02 0.00 0.00 33.50 31.43 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 1.63 0.60 -0.16 -0.52 4.81 -1.92 -0.11 114.58 118.91 2hlu h GLU 50 Ca -0.48 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.62 2hlu h GLU 50 Cb 1.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2hlu h GLU 50 CO 0.57 0.53 -0.03 -0.97 -0.73 0.00 0.00 179.01 178.38 2hlu h ASN 51 N 0.60 0.30 -0.42 1.04 -0.73 -2.00 -1.51 115.58 112.86 2hlu h ASN 51 Ca 0.14 -0.35 0.01 0.00 1.87 0.00 0.00 56.30 57.97 2hlu h ASN 51 Cb 0.18 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2hlu h ASN 51 CO -0.01 0.58 0.26 0.00 -0.37 0.00 0.00 177.43 177.90 2hlu h ALA 52 N 0.73 0.53 -0.79 1.57 0.00 -1.84 -1.87 119.26 117.58 2hlu h ALA 52 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2hlu h ALA 52 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2hlu h ALA 52 CO 0.01 -0.05 0.39 -0.07 0.00 0.00 0.00 179.25 179.54 2hlu h LEU 53 N 0.53 1.03 -0.14 0.00 3.38 -1.01 -0.96 115.31 118.14 2hlu h LEU 53 Ca 0.16 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hlu h LEU 53 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2hlu h LEU 53 CO -0.05 0.87 0.07 1.56 0.09 0.00 0.00 178.44 180.98 2hlu h GLN 54 N 1.12 0.21 -0.43 1.13 4.20 -0.85 -0.41 115.11 120.08 2hlu h GLN 54 Ca 0.27 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.99 2hlu h GLN 54 Cb 0.11 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2hlu h GLN 54 CO -0.04 0.25 0.28 0.66 -0.67 0.00 0.00 178.83 179.32 2hlu h SER 55 N 0.11 0.39 0.23 1.46 4.64 -1.11 -1.36 113.55 117.90 2hlu h SER 55 Ca 0.05 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 2hlu h SER 55 Cb 0.11 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2hlu h SER 55 CO -0.01 0.27 -0.56 0.15 -0.87 0.00 0.00 176.83 175.81 2hlu h PHE 56 N 0.45 0.44 -0.46 4.77 3.57 -0.53 -0.61 116.94 124.56 2hlu h PHE 56 Ca 0.17 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2hlu h PHE 56 Cb 0.13 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2hlu h PHE 56 CO -0.00 0.83 0.23 0.28 -2.23 0.00 0.00 178.31 177.41 2hlu h VAL 57 N 0.27 1.18 -0.43 1.41 2.07 -0.15 0.12 116.25 120.72 2hlu h VAL 57 Ca 0.00 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2hlu h VAL 57 Cb 1.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2hlu h VAL 57 CO 0.09 0.20 0.24 -0.33 0.02 0.00 0.00 177.57 177.79 2hlu h GLU 58 N 0.60 0.58 0.26 1.57 5.08 -0.82 0.11 114.58 121.96 2hlu h GLU 58 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2hlu h GLU 58 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2hlu h GLU 58 CO -0.02 0.42 -0.12 0.00 -1.00 0.00 0.00 179.01 178.29 2hlu h ALA 59 N 1.68 -0.35 -0.68 3.43 0.00 -0.88 -3.32 119.26 119.14 2hlu h ALA 59 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hlu h ALA 59 Cb 0.01 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2hlu h ALA 59 CO -0.03 -0.50 0.42 0.28 0.00 0.00 0.00 179.25 179.42 2hlu h VAL 60 N -0.74 1.19 0.00 0.00 2.07 -0.30 -2.62 116.25 115.85 2hlu h VAL 60 Ca -0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2hlu h VAL 60 Cb 0.49 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2hlu h VAL 60 CO 0.06 0.20 0.00 0.07 0.02 0.00 0.00 177.57 177.92 2hlu h LYS 61 N 0.92 0.00 0.00 1.57 2.10 -0.93 -0.15 116.57 120.08 2hlu h LYS 61 Ca 0.24 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.87 2hlu h LYS 61 Cb -0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2hlu h LYS 61 CO -0.05 0.00 -0.13 -0.97 -2.00 0.00 0.00 179.45 176.30 2hlu h ASN 62 N 0.00 0.00 -2.24 7.07 -0.73 -1.56 -3.45 115.58 114.67 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 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2hlu h ASN 62 CO 0.00 0.13 0.00 0.61 -0.37 0.00 0.00 177.43 177.80 2hlu n GLY 63 N 0.25 -1.40 3.74 1.57 0.00 -0.07 -4.59 105.19 104.70 2hlu n GLY 63 Ca 0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2hlu n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hlu s SER 64 N -4.00 3.97 0.59 1.61 1.04 -1.26 -4.79 113.70 110.85 2hlu s SER 64 Ca 0.00 1.62 0.31 0.00 0.48 0.00 0.00 55.95 58.36 2hlu s SER 64 Cb 0.00 -2.31 1.36 0.00 0.10 0.00 0.00 66.02 65.16 2hlu s SER 64 CO 0.00 -2.34 1.71 -0.65 0.98 0.00 0.00 173.24 172.94 2hlu h PRO 65 N -1.34 0.00 0.00 4.02 0.11 -1.98 -0.46 132.00 132.35 2hlu h PRO 65 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2hlu h PRO 65 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2hlu h PRO 65 CO 0.53 0.00 -1.02 0.74 -0.21 0.00 0.00 178.00 178.04 2hlu h PHE 66 N 0.00 0.00 -3.92 0.65 0.04 -1.94 -3.48 116.94 108.30 2hlu h PHE 66 Ca 0.38 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.70 2hlu h PHE 66 Cb 1.94 0.00 0.16 0.00 2.20 0.00 0.00 35.95 40.24 2hlu h PHE 66 CO 0.00 0.39 0.22 -1.12 -0.60 0.00 0.00 178.31 177.20 2hlu s SER 67 N -5.87 2.59 -0.31 2.17 0.01 -0.18 -4.99 113.70 107.12 2hlu s SER 67 Ca -0.00 1.00 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 2hlu s SER 67 Cb 0.08 -1.57 0.11 0.00 0.21 0.00 0.00 66.02 64.85 2hlu s SER 67 CO 0.78 -3.13 0.14 -0.75 0.41 0.00 0.00 173.24 170.69 2hlu s LYS 68 N -5.14 0.35 0.26 12.44 2.20 0.07 -4.84 119.74 125.09 2hlu s LYS 68 Ca 0.66 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 2hlu s LYS 68 Cb -0.16 -1.34 -0.10 0.00 -1.51 0.00 0.00 37.83 34.71 2hlu s LYS 68 CO 0.56 -1.05 1.47 0.08 -0.36 0.00 0.00 175.35 176.05 2hlu s VAL 69 N 1.83 2.52 -0.01 4.02 1.01 -1.26 -0.94 120.40 127.56 2hlu s VAL 69 Ca 0.11 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2hlu s VAL 69 Cb -0.17 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 2hlu s VAL 69 CO -0.29 0.07 0.09 0.35 0.00 0.00 0.00 175.10 175.32 2hlu n THR 70 N 2.20 0.04 -3.54 3.92 -2.24 -0.02 -4.94 114.28 109.70 2hlu n THR 70 Ca 0.07 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2hlu n THR 70 Cb 0.40 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.68 -0.47 -0.03 3.42 2.15 -1.19 -5.00 116.67 112.87 2hlu s ASP 71 Ca -0.02 0.12 -0.10 0.00 0.43 0.00 0.00 52.55 52.98 2hlu s ASP 71 Cb 0.03 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2hlu s ASP 71 CO 0.19 -0.79 0.22 -0.51 -0.17 0.00 0.00 175.17 174.11 2hlu s ILE 72 N -2.83 0.05 0.02 4.11 2.07 -1.26 -0.92 121.20 122.44 2hlu s ILE 72 Ca -0.03 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.82 2hlu s ILE 72 Cb -0.00 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 2hlu s ILE 72 CO -0.05 -0.22 -0.06 -0.44 -1.91 0.00 0.00 174.94 172.27 2hlu s SER 73 N -0.87 0.62 0.01 4.50 0.01 -0.19 -4.99 113.70 112.79 2hlu s SER 73 Ca -0.10 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2hlu s SER 73 Cb -0.05 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2hlu s SER 73 CO 0.02 -0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 172.85 2hlu s VAL 74 N -0.79 0.23 -0.15 3.43 1.01 -1.26 -1.11 120.40 121.76 2hlu s VAL 74 Ca -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2hlu s VAL 74 Cb -0.06 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.12 2hlu s VAL 74 CO -0.00 -0.09 0.06 -0.89 0.00 0.00 0.00 175.10 174.18 2hlu s THR 75 N -0.46 0.18 0.71 3.92 2.01 0.01 -5.00 115.64 117.02 2hlu s THR 75 Ca -0.03 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2hlu s THR 75 Cb -0.04 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2hlu s THR 75 CO -0.00 -0.13 1.10 -1.83 -0.69 0.00 0.00 174.62 173.07 2hlu s GLU 76 N 2.03 2.53 0.17 4.92 -1.05 -1.26 -0.77 118.70 125.27 2hlu s GLU 76 Ca 0.02 1.29 -0.18 0.00 -0.15 0.00 0.00 54.97 55.95 2hlu s GLU 76 Cb -0.15 -1.92 0.04 0.00 -0.44 0.00 0.00 34.13 31.65 2hlu s GLU 76 CO -0.07 -1.45 0.51 -1.12 0.95 0.00 0.00 175.26 174.08 2hlu s SER 77 N -2.95 -0.32 -0.27 0.83 0.01 -0.23 -4.87 113.70 105.90 2hlu s SER 77 Ca 0.64 -0.34 0.22 0.00 1.31 0.00 0.00 55.95 57.78 2hlu s SER 77 Cb -0.19 0.56 0.50 0.00 0.21 0.00 0.00 66.02 67.10 2hlu s SER 77 CO 0.48 -0.99 1.08 0.54 0.41 0.00 0.00 173.24 174.77 2hlu n ARG 78 N -0.32 1.60 -3.15 12.44 1.74 -1.26 -2.74 116.66 124.97 2hlu n ARG 78 Ca -0.13 -3.42 -0.20 0.00 -0.77 0.00 0.00 57.85 53.33 2hlu n ARG 78 Cb 0.63 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2hlu n SER 79 N -0.50 1.48 -4.59 0.55 7.64 -1.26 -5.08 113.62 111.86 2hlu n SER 79 Ca 0.07 -3.13 -0.36 0.00 1.01 0.00 0.00 58.87 56.47 2hlu n SER 79 Cb 0.81 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2hlu n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hlu n LEU 80 N 0.21 3.09 0.02 -3.43 4.32 -1.26 -4.95 117.00 115.00 2hlu n LEU 80 Ca 0.26 0.66 -0.14 0.00 -0.02 0.00 0.00 56.01 56.77 2hlu n LEU 80 Cb 0.61 -1.38 -0.02 0.00 -1.62 0.00 0.00 43.42 41.01 2hlu n LEU 80 CO 0.23 -2.20 0.29 -0.33 -1.22 0.00 0.00 177.39 174.17 2hlu h GLU 81 N -0.26 0.58 -1.40 3.23 4.39 -1.97 -3.47 114.58 115.68 2hlu h GLU 81 Ca -0.47 -0.49 -0.30 0.00 0.34 0.00 0.00 59.36 58.44 2hlu h GLU 81 Cb 1.34 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 30.03 2hlu h GLU 81 CO 0.46 1.12 -0.33 0.41 -1.16 0.00 0.00 179.01 179.51 2hlu n GLY 82 N 0.66 0.65 3.75 -3.84 0.00 -1.26 -4.97 105.19 100.18 2hlu n GLY 82 Ca -0.06 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2hlu n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hlu n HIS 83 N -3.28 2.89 0.50 1.61 -0.00 -1.26 -4.91 115.22 110.77 2hlu n HIS 83 Ca -0.16 0.23 0.13 0.00 0.46 0.00 0.00 57.72 58.37 2hlu n HIS 83 Cb 0.56 -2.61 0.30 0.00 -0.12 0.00 0.00 29.99 28.12 2hlu n HIS 83 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2hlu h HIS 84 N 4.98 0.00 -3.54 1.57 3.86 -1.95 -3.44 115.15 116.64 2hlu h HIS 84 Ca -0.47 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.65 2hlu h HIS 84 Cb 1.22 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.63 2hlu h HIS 84 CO 0.59 0.00 0.00 -0.98 0.86 0.00 0.00 177.93 178.40 2hlu s ARG 85 N -3.14 1.86 0.12 2.45 1.70 -1.26 -5.06 118.95 115.62 2hlu s ARG 85 Ca 0.09 -1.41 -0.17 0.00 -0.47 0.00 0.00 55.73 53.77 2hlu s ARG 85 Cb 0.11 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.94 2hlu s ARG 85 CO 0.64 -0.81 0.57 0.12 -1.08 0.00 0.00 175.30 174.74 2hlu s PHE 86 N -3.30 3.69 0.14 5.89 5.36 -1.25 -1.70 117.98 126.81 2hlu s PHE 86 Ca 0.22 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 2hlu s PHE 86 Cb -0.02 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 2hlu s PHE 86 CO 0.13 0.49 0.02 -1.12 -1.46 0.00 0.00 175.22 173.28 2hlu s SER 87 N -1.47 0.72 -0.05 6.13 0.01 -0.17 -4.89 113.70 113.98 2hlu s SER 87 Ca 0.35 -1.17 0.03 0.00 1.31 0.00 0.00 55.95 56.46 2hlu s SER 87 Cb -0.17 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2hlu s SER 87 CO 0.19 -0.65 -0.12 -0.63 0.41 0.00 0.00 173.24 172.45 2hlu s ILE 88 N -3.87 3.29 0.12 1.44 1.01 -1.26 -1.03 121.20 120.91 2hlu s ILE 88 Ca 0.22 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.26 2hlu s ILE 88 Cb 0.07 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2hlu s ILE 88 CO 0.02 0.58 -0.11 -0.69 0.00 0.00 0.00 174.94 174.73 2hlu s VAL 89 N -0.77 1.14 -0.20 2.92 1.01 -0.32 -4.94 120.40 119.23 2hlu s VAL 89 Ca 0.12 -1.80 0.15 0.00 0.00 0.00 0.00 61.98 60.46 2hlu s VAL 89 Cb -0.11 -1.57 0.45 0.00 0.00 0.00 0.00 36.38 35.16 2hlu s VAL 89 CO 0.01 -0.57 1.18 -1.22 0.00 0.00 0.00 175.10 174.50 2hlu n TYR 90 N 0.31 1.01 0.00 5.22 4.01 -1.26 -3.32 117.16 123.13 2hlu n TYR 90 Ca -0.14 -1.61 0.00 0.00 -0.16 0.00 0.00 57.90 55.99 2hlu n TYR 90 Cb 0.58 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83