#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 0.77 0.04 4.03 2.96 0.09 -4.83 118.68 121.75 2hlu s LEU 2 Ca 0.00 -0.88 0.03 0.00 -0.22 0.00 0.00 54.13 53.06 2hlu s LEU 2 Cb 0.00 1.34 -0.02 0.00 0.50 0.00 0.00 46.19 48.00 2hlu s LEU 2 CO 0.00 -0.95 -0.09 -1.58 -1.32 0.00 0.00 176.35 172.41 2hlu s GLN 3 N -3.98 0.58 0.21 1.98 -0.44 -0.66 -1.50 119.66 115.85 2hlu s GLN 3 Ca 0.19 -0.72 -0.00 0.00 -2.50 0.00 0.00 55.36 52.32 2hlu s GLN 3 Cb 0.02 -0.43 -0.04 0.00 -1.64 0.00 0.00 33.01 30.93 2hlu s GLN 3 CO 0.02 0.09 0.12 1.52 0.50 0.00 0.00 175.29 177.54 2hlu s TYR 4 N -1.18 1.24 -0.02 1.67 -0.85 -0.21 -1.50 117.35 116.50 2hlu s TYR 4 Ca -0.07 -1.33 0.04 0.00 -0.52 0.00 0.00 57.07 55.19 2hlu s TYR 4 Cb -0.09 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 2hlu s TYR 4 CO 0.01 -0.57 -0.13 0.50 -1.52 0.00 0.00 175.55 173.84 2hlu s ARG 5 N -4.13 1.13 0.01 -3.49 3.52 -0.10 -1.49 118.95 114.40 2hlu s ARG 5 Ca 0.39 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2hlu s ARG 5 Cb 0.07 -1.06 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 2hlu s ARG 5 CO 0.12 0.25 -0.10 0.42 -0.81 0.00 0.00 175.30 175.18 2hlu s ILE 6 N -0.18 0.76 0.01 4.11 1.01 0.17 -0.47 121.20 126.61 2hlu s ILE 6 Ca 0.03 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.11 2hlu s ILE 6 Cb -0.06 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2hlu s ILE 6 CO -0.00 0.07 -0.14 -0.63 0.00 0.00 0.00 174.94 174.24 2hlu s ILE 7 N -0.52 3.08 -0.02 2.92 -1.09 0.02 -0.61 121.20 124.98 2hlu s ILE 7 Ca 0.01 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2hlu s ILE 7 Cb -0.05 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.55 2hlu s ILE 7 CO 0.00 0.41 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.40 2hlu s VAL 8 N -0.90 0.32 0.16 2.92 1.01 -0.52 -1.23 120.40 122.15 2hlu s VAL 8 Ca 0.15 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2hlu s VAL 8 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2hlu s VAL 8 CO 0.05 0.13 -0.18 -0.62 0.00 0.00 0.00 175.10 174.47 2hlu s ASP 9 N 0.36 2.66 0.00 3.32 2.15 -0.12 -1.45 116.67 123.60 2hlu s ASP 9 Ca -0.04 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.08 2hlu s ASP 9 Cb -0.07 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 2hlu s ASP 9 CO -0.01 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 2hlu n GLY 10 N 0.31 0.79 3.56 2.66 0.00 -1.26 -1.01 105.19 110.22 2hlu n GLY 10 Ca -0.13 -1.93 -0.32 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 1.96 0.00 1.61 0.63 -0.00 -4.48 116.66 116.37 2hlu n ARG 11 Ca 0.00 -2.63 0.00 0.00 -0.92 0.00 0.00 57.85 54.30 2hlu n ARG 11 Cb 0.00 -3.65 0.00 0.00 0.45 0.00 0.00 32.46 29.26 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 7.41 0.16 -4.12 5.15 0.24 -1.26 -0.88 118.33 125.04 2hlu n VAL 12 Ca 0.46 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.48 2hlu n VAL 12 Cb 0.46 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.16 1.02 0.00 7.34 -0.21 -1.26 -4.51 119.66 121.87 2hlu s GLN 13 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 53.97 2hlu s GLN 13 Cb 0.00 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.29 2hlu s GLN 13 CO 0.00 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.27 2hlu n GLY 14 N -0.14 1.53 3.72 3.09 0.00 -1.26 -4.91 105.19 107.21 2hlu n GLY 14 Ca -0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 4.79 0.34 1.61 0.24 -1.26 -4.91 118.33 119.14 2hlu n VAL 15 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2hlu n VAL 15 Cb 0.00 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 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 0.93 2.00 0.29 7.63 0.00 -1.26 -4.53 105.19 110.25 2hlu n GLY 16 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.66 0.48 -0.82 1.61 3.57 -1.91 -1.60 116.94 118.93 2hlu h PHE 17 Ca 0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2hlu h PHE 17 Cb 0.90 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2hlu h PHE 17 CO 0.11 0.40 0.54 0.00 -2.23 0.00 0.00 178.31 177.12 2hlu h ARG 18 N 0.49 1.06 -0.37 1.11 3.08 -1.82 0.76 114.38 118.69 2hlu h ARG 18 Ca 0.12 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 2hlu h ARG 18 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2hlu h ARG 18 CO -0.01 0.70 -0.37 -0.92 -1.07 0.00 0.00 179.97 178.30 2hlu h TYR 19 N 1.10 1.06 0.12 3.04 3.20 -1.69 -0.54 116.97 123.25 2hlu h TYR 19 Ca 0.30 -0.31 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2hlu h TYR 19 Cb -0.11 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 2hlu h TYR 19 CO -0.00 1.12 -0.15 0.35 -1.64 0.00 0.00 178.16 177.83 2hlu h PHE 20 N 0.73 -0.40 -0.74 -3.82 3.57 -0.62 -1.23 116.94 114.43 2hlu h PHE 20 Ca 0.06 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2hlu h PHE 20 Cb 0.95 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 2hlu h PHE 20 CO 0.06 -0.23 0.46 0.28 -2.23 0.00 0.00 178.31 176.64 2hlu h VAL 21 N -0.32 1.07 -0.17 1.41 2.07 -0.85 -0.48 116.25 118.98 2hlu h VAL 21 Ca 0.01 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2hlu h VAL 21 Cb 0.32 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2hlu h VAL 21 CO -0.07 0.16 -0.07 -0.61 0.02 0.00 0.00 177.57 177.00 2hlu h GLN 22 N 0.88 -0.04 0.00 1.57 5.75 -0.65 -0.69 115.11 121.92 2hlu h GLN 22 Ca 0.31 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.62 2hlu h GLN 22 Cb 0.07 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2hlu h GLN 22 CO -0.13 -0.03 -0.91 0.52 -2.65 0.00 0.00 178.83 175.63 2hlu h MET 23 N -0.05 0.00 -0.53 1.69 2.86 -0.83 -1.27 114.93 116.79 2hlu h MET 23 Ca 0.09 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 2hlu h MET 23 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2hlu h MET 23 CO -0.21 0.91 -0.13 0.93 1.06 0.00 0.00 176.91 179.47 2hlu h GLU 24 N 0.00 1.03 -0.55 1.72 4.39 -0.97 -0.83 114.58 119.37 2hlu h GLU 24 Ca -0.01 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 2hlu h GLU 24 Cb 1.67 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.24 2hlu h GLU 24 CO 0.12 1.08 0.18 0.00 -1.16 0.00 0.00 179.01 179.23 2hlu h ALA 25 N 0.92 0.71 -0.36 3.43 0.00 -0.99 -2.10 119.26 120.89 2hlu h ALA 25 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2hlu h ALA 25 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hlu h ALA 25 CO 0.05 0.37 0.16 0.22 0.00 0.00 0.00 179.25 180.06 2hlu h ASP 26 N 0.76 0.47 0.63 0.00 3.58 -1.03 -0.90 116.42 119.93 2hlu h ASP 26 Ca 0.18 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2hlu h ASP 26 Cb 0.27 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2hlu h ASP 26 CO -0.01 0.48 -0.29 0.07 -2.88 0.00 0.00 179.24 176.61 2hlu h LYS 27 N 0.43 0.00 -0.03 0.28 5.09 -1.13 -0.08 116.57 121.13 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 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 2hlu h LYS 27 CO -0.01 0.29 0.00 0.54 -2.09 0.00 0.00 179.45 178.18 2hlu n ARG 28 N -3.66 1.13 -2.91 0.07 5.12 -0.79 -4.93 116.66 110.69 2hlu n ARG 28 Ca -0.01 -0.20 -0.17 0.00 -1.93 0.00 0.00 57.85 55.54 2hlu n ARG 28 Cb 0.41 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 -0.56 -2.92 -1.79 5.56 5.02 -0.04 -4.93 118.16 118.50 2hlu n LYS 29 Ca 0.13 0.50 -0.30 0.00 -2.02 0.00 0.00 58.31 56.63 2hlu n LYS 29 Cb 0.11 -5.16 0.07 0.00 -0.02 0.00 0.00 35.03 30.03 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 -6.03 2.72 0.09 -0.35 1.43 -0.46 -4.95 118.68 111.12 2hlu s LEU 30 Ca 0.20 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2hlu s LEU 30 Cb -0.11 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2hlu s LEU 30 CO 0.25 -1.64 -0.12 0.00 0.23 0.00 0.00 176.35 175.07 2hlu s ALA 31 N -3.34 1.17 0.00 4.21 0.00 -0.89 -3.93 121.76 118.98 2hlu s ALA 31 Ca 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2hlu s ALA 31 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2hlu s ALA 31 CO 0.52 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2hlu n GLY 32 N 0.94 0.62 3.32 0.00 0.00 -0.41 -0.78 105.19 108.88 2hlu n GLY 32 Ca -0.19 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.44 0.62 0.04 1.61 -2.14 0.09 -0.59 118.94 115.12 2hlu s TRP 33 Ca 0.00 -0.96 0.04 0.00 2.66 0.00 0.00 56.10 57.84 2hlu s TRP 33 Cb 0.00 -0.19 -0.02 0.00 -3.10 0.00 0.00 33.47 30.16 2hlu s TRP 33 CO 0.00 -0.71 -0.11 0.54 -2.66 0.00 0.00 176.95 174.01 2hlu s VAL 34 N -4.03 0.83 0.15 -0.66 0.11 -0.17 -0.99 120.40 115.64 2hlu s VAL 34 Ca 0.23 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 58.22 2hlu s VAL 34 Cb 0.04 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2hlu s VAL 34 CO 0.04 -0.11 0.38 -1.59 -3.33 0.00 0.00 175.10 170.49 2hlu s LYS 35 N -1.16 1.15 0.13 1.54 -2.85 0.02 -1.29 119.74 117.28 2hlu s LYS 35 Ca -0.02 -0.90 -0.31 0.00 -1.00 0.00 0.00 55.97 53.74 2hlu s LYS 35 Cb -0.08 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 2hlu s LYS 35 CO 0.01 -0.45 1.65 1.21 0.10 0.00 0.00 175.35 177.87 2hlu s ASN 36 N -2.87 6.55 0.30 0.03 2.47 -1.26 -1.32 114.94 118.85 2hlu s ASN 36 Ca 0.08 2.61 -0.20 0.00 0.42 0.00 0.00 52.86 55.78 2hlu s ASN 36 Cb 0.02 -2.58 -0.09 0.00 -1.45 0.00 0.00 41.25 37.15 2hlu s ASN 36 CO -0.06 -0.89 0.80 -0.60 -3.72 0.00 0.00 177.10 172.64 2hlu s ARG 37 N 1.92 4.24 0.51 0.43 3.52 0.35 -4.80 118.95 125.11 2hlu s ARG 37 Ca 0.73 0.94 0.19 0.00 -0.13 0.00 0.00 55.73 57.46 2hlu s ARG 37 Cb -0.43 -2.63 1.26 0.00 -1.56 0.00 0.00 34.95 31.59 2hlu s ARG 37 CO 0.32 0.24 2.06 0.22 -0.81 0.00 0.00 175.30 177.33 2hlu h ASP 38 N 2.82 0.08 1.31 -2.12 3.58 -1.95 -0.14 116.42 120.01 2hlu h ASP 38 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2hlu h ASP 38 Cb 1.19 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2hlu h ASP 38 CO 0.65 0.05 0.00 -2.24 -2.88 0.00 0.00 179.24 174.82 2hlu h ASP 39 N 0.09 0.00 0.00 2.28 2.03 -2.04 -3.47 116.42 115.32 2hlu h ASP 39 Ca 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 2hlu h ASP 39 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2hlu h ASP 39 CO -0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.81 2hlu n GLY 40 N 0.87 1.31 3.61 7.15 0.00 -0.06 -5.12 105.19 112.95 2hlu n GLY 40 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.19 -0.63 -0.05 1.61 3.00 -1.25 -4.80 118.95 116.63 2hlu s ARG 41 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 55.73 55.88 2hlu s ARG 41 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 34.95 33.27 2hlu s ARG 41 CO 0.00 -3.38 0.18 0.08 0.00 0.00 0.00 175.30 172.19 2hlu s VAL 42 N -2.94 5.43 -0.05 3.52 1.01 -0.53 -0.50 120.40 126.34 2hlu s VAL 42 Ca 0.68 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.80 2hlu s VAL 42 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2hlu s VAL 42 CO 0.57 0.46 -0.21 -0.70 0.00 0.00 0.00 175.10 175.22 2hlu s GLU 43 N -1.50 2.17 0.02 2.72 2.12 -0.43 -1.44 118.70 122.35 2hlu s GLU 43 Ca 0.22 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.84 2hlu s GLU 43 Cb -0.13 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 2hlu s GLU 43 CO 0.12 0.32 -0.15 0.42 -0.54 0.00 0.00 175.26 175.43 2hlu s ILE 44 N -0.07 1.18 -0.12 -3.70 1.01 0.22 -0.80 121.20 118.92 2hlu s ILE 44 Ca -0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2hlu s ILE 44 Cb -0.13 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.37 2hlu s ILE 44 CO 0.03 0.18 0.26 -0.22 0.00 0.00 0.00 174.94 175.18 2hlu s LEU 45 N -0.76 -0.04 -0.01 2.97 0.20 -0.16 -0.66 118.68 120.22 2hlu s LEU 45 Ca 0.04 0.57 -0.06 0.00 0.69 0.00 0.00 54.13 55.37 2hlu s LEU 45 Cb -0.07 0.72 0.00 0.00 -0.43 0.00 0.00 46.19 46.42 2hlu s LEU 45 CO 0.00 -0.21 0.12 0.00 -0.29 0.00 0.00 176.35 175.98 2hlu s ALA 46 N 1.98 -0.29 0.14 5.97 0.00 -0.55 -0.73 121.76 128.27 2hlu s ALA 46 Ca -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 51.95 2hlu s ALA 46 Cb -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2hlu s ALA 46 CO -0.09 -0.17 -0.15 -1.83 0.00 0.00 0.00 175.76 173.52 2hlu s GLU 47 N -1.04 1.12 0.00 0.00 -1.05 0.04 -1.05 118.70 116.72 2hlu s GLU 47 Ca -0.11 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.38 2hlu s GLU 47 Cb -0.06 -1.02 0.00 0.00 -0.44 0.00 0.00 34.13 32.61 2hlu s GLU 47 CO 0.01 0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.82 2hlu n GLY 48 N 0.35 -0.49 3.71 -3.83 0.00 -0.57 -2.09 105.19 102.29 2hlu n GLY 48 Ca -0.14 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 2.59 0.14 1.61 -0.02 -1.26 -0.73 135.00 137.33 2hlu n PRO 49 Ca 0.00 0.93 0.16 0.00 -2.02 0.00 0.00 63.50 62.57 2hlu n PRO 49 Cb 0.00 -2.73 0.72 0.00 -0.02 0.00 0.00 33.50 31.47 2hlu n PRO 49 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2hlu h GLU 50 N 5.96 0.00 -0.18 -0.52 9.09 -1.88 0.14 114.58 127.20 2hlu h GLU 50 Ca -0.44 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.83 2hlu h GLU 50 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.31 2hlu h GLU 50 CO 0.89 0.00 -0.45 -0.97 0.05 0.00 0.00 179.01 178.53 2hlu h ASN 51 N 0.00 0.49 0.20 3.06 -0.73 -1.99 -1.47 115.58 115.13 2hlu h ASN 51 Ca 0.13 -0.23 -0.21 0.00 1.87 0.00 0.00 56.30 57.86 2hlu h ASN 51 Cb 0.55 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.01 2hlu h ASN 51 CO -0.00 0.87 -0.83 0.00 -0.37 0.00 0.00 177.43 177.10 2hlu h ALA 52 N 1.14 0.44 0.13 1.57 0.00 -1.13 -1.55 119.26 119.86 2hlu h ALA 52 Ca 0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2hlu h ALA 52 Cb 0.94 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2hlu h ALA 52 CO 0.08 0.76 -0.08 -0.07 0.00 0.00 0.00 179.25 179.94 2hlu h LEU 53 N 0.31 -0.20 -0.53 0.00 4.07 -1.20 0.14 115.31 117.90 2hlu h LEU 53 Ca -0.06 0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.95 2hlu h LEU 53 Cb 1.44 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 43.20 2hlu h LEU 53 CO 0.15 -0.13 0.30 1.56 -1.08 0.00 0.00 178.44 179.24 2hlu h GLN 54 N -0.20 0.57 -0.78 1.13 4.20 -1.15 0.72 115.11 119.60 2hlu h GLN 54 Ca -0.01 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2hlu h GLN 54 Cb 0.17 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2hlu h GLN 54 CO 0.01 0.38 0.52 0.77 -0.67 0.00 0.00 178.83 179.84 2hlu h SER 55 N 0.59 0.90 0.35 1.46 0.02 -1.17 -1.16 113.55 114.55 2hlu h SER 55 Ca 0.22 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2hlu h SER 55 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2hlu h SER 55 CO -0.12 0.65 -0.45 0.15 -1.14 0.00 0.00 176.83 175.92 2hlu h PHE 56 N 1.06 0.14 -0.44 3.45 3.57 0.35 -1.36 116.94 123.71 2hlu h PHE 56 Ca 0.29 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2hlu h PHE 56 Cb -0.12 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2hlu h PHE 56 CO 0.00 0.55 0.20 0.28 -2.23 0.00 0.00 178.31 177.11 2hlu h VAL 57 N 0.10 1.19 -0.99 1.41 2.07 0.25 0.12 116.25 120.40 2hlu h VAL 57 Ca 0.01 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.01 2hlu h VAL 57 Cb 0.83 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2hlu h VAL 57 CO 0.06 0.21 0.65 -0.33 0.02 0.00 0.00 177.57 178.18 2hlu h GLU 58 N 0.58 1.19 -0.06 1.57 4.39 -0.84 0.12 114.58 121.52 2hlu h GLU 58 Ca 0.15 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2hlu h GLU 58 Cb 0.14 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2hlu h GLU 58 CO -0.02 0.79 0.01 0.00 -1.16 0.00 0.00 179.01 178.63 2hlu h ALA 59 N 1.43 0.08 -0.14 3.43 0.00 -0.90 -3.24 119.26 119.92 2hlu h ALA 59 Ca 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2hlu h ALA 59 Cb 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2hlu h ALA 59 CO -0.13 -0.27 -0.05 0.28 0.00 0.00 0.00 179.25 179.08 2hlu h VAL 60 N -0.16 1.30 0.00 0.00 2.07 -0.14 -3.13 116.25 116.20 2hlu h VAL 60 Ca 0.02 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2hlu h VAL 60 Cb 0.30 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2hlu h VAL 60 CO 0.00 0.30 -0.10 0.07 0.02 0.00 0.00 177.57 177.86 2hlu h LYS 61 N -0.05 0.00 0.00 1.57 2.10 -0.91 -0.63 116.57 118.65 2hlu h LYS 61 Ca 0.03 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2hlu h LYS 61 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2hlu h LYS 61 CO 0.02 0.10 -0.23 -0.97 -2.00 0.00 0.00 179.45 176.37 2hlu h ASN 62 N 0.00 0.00 -3.58 7.07 -1.24 -1.56 -3.45 115.58 112.81 2hlu h ASN 62 Ca -0.00 0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.13 2hlu h ASN 62 Cb 0.24 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2hlu h ASN 62 CO 0.01 0.23 -0.17 0.61 -1.29 0.00 0.00 177.43 176.82 2hlu n GLY 63 N -0.76 -2.05 3.75 1.57 0.00 -0.24 -4.60 105.19 102.85 2hlu n GLY 63 Ca -0.02 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.99 4.11 0.61 1.61 1.04 -1.26 -4.84 113.70 110.98 2hlu s SER 64 Ca 0.00 1.81 0.14 0.00 0.48 0.00 0.00 55.95 58.39 2hlu s SER 64 Cb 0.00 -2.47 0.79 0.00 0.10 0.00 0.00 66.02 64.44 2hlu s SER 64 CO 0.00 -2.29 1.42 -0.65 0.98 0.00 0.00 173.24 172.70 2hlu h PRO 65 N -1.30 0.00 0.00 4.02 0.11 -1.98 -0.93 132.00 131.92 2hlu h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hlu h PRO 65 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2hlu h PRO 65 CO 0.51 0.00 -1.50 1.19 -0.21 0.00 0.00 178.00 177.99 2hlu n PHE 66 N -2.58 0.13 -1.87 0.65 3.72 -1.26 -5.00 117.46 111.25 2hlu n PHE 66 Ca -0.01 0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 2hlu n PHE 66 Cb 0.65 -0.41 0.14 0.00 -0.94 0.00 0.00 39.48 38.92 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 -4.12 3.68 -0.32 4.37 0.01 -0.36 -5.00 113.70 111.96 2hlu s SER 67 Ca -0.01 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.77 2hlu s SER 67 Cb 0.14 -0.83 0.12 0.00 0.21 0.00 0.00 66.02 65.67 2hlu s SER 67 CO 0.87 -2.41 0.17 -0.75 0.41 0.00 0.00 173.24 171.53 2hlu s LYS 68 N -5.70 0.37 0.32 12.44 2.20 -0.05 -4.85 119.74 124.46 2hlu s LYS 68 Ca 0.68 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 2hlu s LYS 68 Cb -0.08 -1.22 -0.11 0.00 -1.51 0.00 0.00 37.83 34.91 2hlu s LYS 68 CO 0.51 -1.12 1.50 0.08 -0.36 0.00 0.00 175.35 175.97 2hlu s VAL 69 N 1.59 2.24 -0.01 4.02 1.01 -1.26 -0.82 120.40 127.17 2hlu s VAL 69 Ca 0.14 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2hlu s VAL 69 Cb -0.19 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2hlu s VAL 69 CO -0.18 0.04 0.05 0.35 0.00 0.00 0.00 175.10 175.37 2hlu n THR 70 N 1.51 0.05 -3.54 3.92 -2.24 -0.18 -4.93 114.28 108.87 2hlu n THR 70 Ca 0.05 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 2hlu n THR 70 Cb 0.39 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.62 -0.63 0.14 3.42 2.15 -1.17 -5.01 116.67 112.96 2hlu s ASP 71 Ca -0.01 0.69 0.05 0.00 0.43 0.00 0.00 52.55 53.70 2hlu s ASP 71 Cb 0.02 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.13 2hlu s ASP 71 CO 0.13 -0.60 -0.10 0.27 -0.17 0.00 0.00 175.17 174.70 2hlu s ILE 72 N -1.18 1.18 0.04 4.11 -4.36 -1.26 -0.95 121.20 118.77 2hlu s ILE 72 Ca -0.11 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.24 2hlu s ILE 72 Cb -0.00 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2hlu s ILE 72 CO 0.10 -0.72 -0.01 -0.44 0.24 0.00 0.00 174.94 174.11 2hlu s SER 73 N -3.10 0.35 0.01 4.36 0.01 -0.37 -4.98 113.70 109.99 2hlu s SER 73 Ca 0.16 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 2hlu s SER 73 Cb 0.02 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 2hlu s SER 73 CO 0.01 -0.49 0.01 -0.69 0.41 0.00 0.00 173.24 172.48 2hlu s VAL 74 N -2.93 0.07 0.02 3.43 1.01 -1.26 -0.80 120.40 119.93 2hlu s VAL 74 Ca -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2hlu s VAL 74 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2hlu s VAL 74 CO -0.06 -0.30 -0.13 -0.89 0.00 0.00 0.00 175.10 173.72 2hlu s THR 75 N -0.89 1.01 -0.01 3.92 2.01 0.38 -4.99 115.64 117.06 2hlu s THR 75 Ca -0.10 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2hlu s THR 75 Cb -0.06 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 2hlu s THR 75 CO -0.00 0.10 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.36 2hlu s GLU 76 N -0.77 0.51 -0.14 4.92 2.02 -1.26 -0.92 118.70 123.05 2hlu s GLU 76 Ca 0.02 -0.22 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 2hlu s GLU 76 Cb -0.06 -0.49 0.04 0.00 0.10 0.00 0.00 34.13 33.72 2hlu s GLU 76 CO 0.00 0.13 0.35 -1.12 0.02 0.00 0.00 175.26 174.65 2hlu s SER 77 N -0.14 -0.39 -0.61 -0.19 0.01 -0.56 -5.00 113.70 106.83 2hlu s SER 77 Ca 0.02 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 2hlu s SER 77 Cb -0.03 0.70 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 2hlu s SER 77 CO -0.00 -0.14 2.95 -1.14 0.41 0.00 0.00 173.24 175.32 2hlu n ARG 78 N 3.26 2.84 -3.59 12.44 0.63 -1.26 -1.66 116.66 129.32 2hlu n ARG 78 Ca -0.16 -2.18 -0.28 0.00 -0.92 0.00 0.00 57.85 54.31 2hlu n ARG 78 Cb 0.57 -2.26 -0.16 0.00 0.45 0.00 0.00 32.46 31.06 2hlu n ARG 78 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2hlu s SER 79 N 0.98 3.17 0.49 6.15 0.01 -1.26 -4.98 113.70 118.25 2hlu s SER 79 Ca 0.61 -1.08 -0.20 0.00 1.31 0.00 0.00 55.95 56.59 2hlu s SER 79 Cb 0.31 -0.38 -0.08 0.00 0.21 0.00 0.00 66.02 66.08 2hlu s SER 79 CO -0.12 -0.40 1.06 -0.76 0.41 0.00 0.00 173.24 173.43 2hlu s LEU 80 N 2.05 3.86 0.17 2.44 1.02 -1.26 -4.65 118.68 122.31 2hlu s LEU 80 Ca 0.06 2.00 0.24 0.00 0.02 0.00 0.00 54.13 56.45 2hlu s LEU 80 Cb -0.16 -4.52 0.28 0.00 0.02 0.00 0.00 46.19 41.81 2hlu s LEU 80 CO -0.25 -0.85 1.30 -0.33 0.02 0.00 0.00 176.35 176.24 2hlu h GLU 81 N 1.58 0.00 -2.14 1.70 4.39 -1.96 -3.48 114.58 114.67 2hlu h GLU 81 Ca -0.50 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 58.79 2hlu h GLU 81 Cb 1.23 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.80 2hlu h GLU 81 CO 0.59 0.00 -0.47 0.41 -1.16 0.00 0.00 179.01 178.38 2hlu n GLY 82 N 1.27 0.53 3.77 -3.84 0.00 -1.26 -5.00 105.19 100.67 2hlu n GLY 82 Ca 0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.92 2.57 -0.02 1.61 3.76 -1.26 -5.02 115.29 114.01 2hlu s HIS 83 Ca 0.00 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.98 2hlu s HIS 83 Cb 0.00 -3.24 0.03 0.00 1.11 0.00 0.00 32.58 30.49 2hlu s HIS 83 CO 0.00 -2.19 0.86 0.72 -0.85 0.00 0.00 174.74 173.27 2hlu n HIS 84 N -3.70 0.00 -3.90 1.40 8.25 -1.26 -4.91 115.22 111.11 2hlu n HIS 84 Ca 0.07 -0.36 -0.09 0.00 -0.26 0.00 0.00 57.72 57.07 2hlu n HIS 84 Cb 0.57 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.82 1.28 0.27 -0.41 1.70 -1.26 -5.05 118.95 114.66 2hlu s ARG 85 Ca 0.04 -1.09 -0.05 0.00 -0.47 0.00 0.00 55.73 54.16 2hlu s ARG 85 Cb 0.03 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2hlu s ARG 85 CO 0.00 -0.50 0.54 0.12 -1.08 0.00 0.00 175.30 174.38 2hlu s PHE 86 N -3.95 3.47 0.06 5.89 5.36 -1.25 -1.29 117.98 126.26 2hlu s PHE 86 Ca 0.15 0.65 0.04 0.00 -0.96 0.00 0.00 56.93 56.81 2hlu s PHE 86 Cb 0.01 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2hlu s PHE 86 CO 0.00 0.20 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.73 2hlu s SER 87 N -3.05 1.27 -0.18 6.13 0.01 0.24 -4.88 113.70 113.24 2hlu s SER 87 Ca 0.44 -0.57 -0.09 0.00 1.31 0.00 0.00 55.95 57.04 2hlu s SER 87 Cb -0.11 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 2hlu s SER 87 CO 0.29 -0.13 0.11 -0.63 0.41 0.00 0.00 173.24 173.29 2hlu s ILE 88 N -1.30 5.27 0.30 1.44 1.01 -1.26 -1.00 121.20 125.67 2hlu s ILE 88 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.77 2hlu s ILE 88 Cb -0.10 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2hlu s ILE 88 CO 0.01 0.48 0.28 0.54 0.00 0.00 0.00 174.94 176.25 2hlu s VAL 89 N 0.07 0.00 0.00 2.92 0.11 -0.41 -4.95 120.40 118.15 2hlu s VAL 89 Ca 0.08 -1.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.20 2hlu s VAL 89 Cb -0.11 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 2hlu s VAL 89 CO -0.00 0.00 0.32 -1.22 -3.33 0.00 0.00 175.10 170.86 2hlu n TYR 90 N -0.54 0.00 0.00 1.54 4.01 -1.26 -4.13 117.16 116.78 2hlu n TYR 90 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2hlu n TYR 90 Cb 0.63 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83