#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 0.86 -0.11 4.03 2.96 -0.15 -4.91 118.68 121.36 2hlu s LEU 2 Ca 0.00 -1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 52.52 2hlu s LEU 2 Cb 0.00 1.12 0.03 0.00 0.50 0.00 0.00 46.19 47.84 2hlu s LEU 2 CO 0.00 -1.06 0.33 -1.58 -1.32 0.00 0.00 176.35 172.72 2hlu s GLN 3 N -3.82 0.43 0.18 1.98 0.74 -1.15 -1.51 119.66 116.50 2hlu s GLN 3 Ca 0.31 0.37 -0.04 0.00 0.05 0.00 0.00 55.36 56.05 2hlu s GLN 3 Cb 0.02 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 2hlu s GLN 3 CO 0.14 -0.06 0.18 1.52 -0.55 0.00 0.00 175.29 176.52 2hlu s TYR 4 N -0.04 0.84 -0.01 1.67 -0.85 -0.32 -1.81 117.35 116.82 2hlu s TYR 4 Ca -0.02 -1.15 0.05 0.00 -0.52 0.00 0.00 57.07 55.44 2hlu s TYR 4 Cb -0.03 -0.35 -0.01 0.00 0.38 0.00 0.00 41.96 41.95 2hlu s TYR 4 CO 0.01 -0.67 -0.18 0.50 -1.52 0.00 0.00 175.55 173.70 2hlu s ARG 5 N -4.08 1.42 -0.01 -3.49 3.52 -0.15 -1.71 118.95 114.46 2hlu s ARG 5 Ca 0.29 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 2hlu s ARG 5 Cb 0.05 -1.37 -0.01 0.00 -1.56 0.00 0.00 34.95 32.07 2hlu s ARG 5 CO 0.07 0.38 -0.09 0.42 -0.81 0.00 0.00 175.30 175.27 2hlu s ILE 6 N -0.42 0.68 0.00 4.11 1.01 0.19 -0.41 121.20 126.36 2hlu s ILE 6 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.40 2hlu s ILE 6 Cb -0.07 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 2hlu s ILE 6 CO -0.01 0.19 -0.11 -0.63 0.00 0.00 0.00 174.94 174.39 2hlu s ILE 7 N -0.17 3.31 -0.01 2.92 -1.09 0.01 -0.47 121.20 125.70 2hlu s ILE 7 Ca 0.03 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2hlu s ILE 7 Cb -0.04 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.45 2hlu s ILE 7 CO -0.00 0.42 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.42 2hlu s VAL 8 N -0.92 0.18 0.05 2.92 1.01 -0.25 -1.11 120.40 122.28 2hlu s VAL 8 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2hlu s VAL 8 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2hlu s VAL 8 CO 0.05 0.08 -0.06 -0.62 0.00 0.00 0.00 175.10 174.55 2hlu s ASP 9 N 0.21 0.74 0.00 3.32 2.15 -0.23 -1.54 116.67 121.31 2hlu s ASP 9 Ca -0.02 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.21 2hlu s ASP 9 Cb -0.04 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2hlu s ASP 9 CO -0.01 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2hlu n GLY 10 N 0.82 0.81 3.57 2.66 0.00 -1.26 -0.66 105.19 111.14 2hlu n GLY 10 Ca -0.18 -1.88 -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 -1.60 0.00 0.00 0.00 173.32 171.72 2hlu s ARG 11 N -1.59 2.88 0.00 1.61 3.52 -0.06 -4.54 118.95 120.77 2hlu s ARG 11 Ca 0.00 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 2hlu s ARG 11 Cb 0.00 -5.24 0.00 0.00 -1.56 0.00 0.00 34.95 28.15 2hlu s ARG 11 CO 0.00 -3.30 0.45 1.33 -0.81 0.00 0.00 175.30 172.98 2hlu n VAL 12 N 7.50 0.15 -4.25 7.11 0.24 -1.26 -0.78 118.33 127.04 2hlu n VAL 12 Ca 0.42 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.40 2hlu n VAL 12 Cb 0.47 1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.15 1.12 0.00 7.34 -0.21 -1.26 -4.52 119.66 121.97 2hlu s GLN 13 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.85 2hlu s GLN 13 Cb 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.67 2hlu s GLN 13 CO 0.00 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2hlu n GLY 14 N -0.25 1.49 3.73 3.09 0.00 -1.26 -4.92 105.19 107.07 2hlu n GLY 14 Ca -0.07 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.00 -0.01 1.61 -7.23 -1.26 -4.91 120.40 110.61 2hlu s VAL 15 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2hlu s VAL 15 Cb 0.00 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.97 2hlu s VAL 15 CO 0.00 -0.00 1.72 0.61 -0.31 0.00 0.00 175.10 177.12 2hlu n GLY 16 N 0.90 2.40 0.32 2.32 0.00 -1.26 -4.61 105.19 105.26 2hlu n GLY 16 Ca 0.16 -0.02 0.04 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 0.73 0.55 -0.65 1.61 3.57 -1.91 -1.03 116.94 119.81 2hlu h PHE 17 Ca 0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2hlu h PHE 17 Cb 1.00 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 2hlu h PHE 17 CO 0.18 0.34 0.24 0.00 -2.23 0.00 0.00 178.31 176.84 2hlu h ARG 18 N 0.58 0.40 -0.23 1.11 3.08 -1.85 -0.28 114.38 117.20 2hlu h ARG 18 Ca 0.17 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 2hlu h ARG 18 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2hlu h ARG 18 CO -0.04 0.27 -0.52 1.88 -1.07 0.00 0.00 179.97 180.49 2hlu h TYR 19 N 0.41 0.80 0.23 3.04 0.05 -1.59 -1.05 116.97 118.86 2hlu h TYR 19 Ca 0.34 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2hlu h TYR 19 Cb 0.45 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2hlu h TYR 19 CO -0.17 1.02 -0.18 0.35 -1.05 0.00 0.00 178.16 178.13 2hlu h PHE 20 N 0.50 -0.48 -0.99 4.88 3.57 -0.87 -1.06 116.94 122.49 2hlu h PHE 20 Ca 0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2hlu h PHE 20 Cb 1.07 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 2hlu h PHE 20 CO 0.05 -0.28 0.65 0.28 -2.23 0.00 0.00 178.31 176.78 2hlu h VAL 21 N -0.43 1.18 -0.18 1.41 2.07 -1.02 -0.95 116.25 118.33 2hlu h VAL 21 Ca -0.01 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2hlu h VAL 21 Cb 0.38 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 2hlu h VAL 21 CO -0.01 0.23 -0.02 -0.61 0.02 0.00 0.00 177.57 177.18 2hlu h GLN 22 N 1.26 0.04 -0.17 1.57 5.75 -0.74 -0.57 115.11 122.24 2hlu h GLN 22 Ca 0.39 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.71 2hlu h GLN 22 Cb -0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 2hlu h GLN 22 CO -0.12 0.02 -0.63 0.52 -2.65 0.00 0.00 178.83 175.97 2hlu h MET 23 N 0.04 0.62 0.00 1.69 2.86 -0.62 -0.36 114.93 119.16 2hlu h MET 23 Ca 0.09 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 2hlu h MET 23 Cb 0.12 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2hlu h MET 23 CO -0.16 1.05 -0.31 0.93 1.06 0.00 0.00 176.91 179.48 2hlu h GLU 24 N 0.45 0.00 -0.03 1.72 4.39 -1.05 -0.58 114.58 119.48 2hlu h GLU 24 Ca -0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2hlu h GLU 24 Cb 1.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2hlu h GLU 24 CO 0.12 0.31 -0.54 0.00 -1.16 0.00 0.00 179.01 177.74 2hlu h ALA 25 N 1.69 0.11 -0.48 3.43 0.00 -0.85 -3.32 119.26 119.83 2hlu h ALA 25 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2hlu h ALA 25 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2hlu h ALA 25 CO 0.04 0.33 0.05 0.22 0.00 0.00 0.00 179.25 179.90 2hlu h ASP 26 N -0.07 0.79 -0.00 0.00 3.58 -0.78 -0.87 116.42 119.07 2hlu h ASP 26 Ca -0.06 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2hlu h ASP 26 Cb 1.23 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2hlu h ASP 26 CO 0.11 0.87 0.01 0.07 -2.88 0.00 0.00 179.24 177.42 2hlu h LYS 27 N 0.69 0.00 -0.32 0.28 5.09 -1.26 -0.99 116.57 120.05 2hlu h LYS 27 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.88 2hlu h LYS 27 Cb 0.43 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.76 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 -3.35 2.32 -3.71 0.07 3.00 -0.73 -4.99 116.66 109.27 2hlu n ARG 28 Ca -0.03 -1.95 -0.27 0.00 -0.00 0.00 0.00 57.85 55.59 2hlu n ARG 28 Cb 0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.20 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 0.77 -2.56 -1.25 -0.14 5.02 -0.38 -4.97 118.16 114.65 2hlu n LYS 29 Ca 0.13 0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 56.41 2hlu n LYS 29 Cb 0.44 -4.94 0.13 0.00 -0.02 0.00 0.00 35.03 30.64 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 -6.60 2.26 0.05 -0.35 1.43 -0.60 -5.01 118.68 109.85 2hlu s LEU 30 Ca 0.52 1.43 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 2hlu s LEU 30 Cb -0.29 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 2hlu s LEU 30 CO 0.64 -2.58 -0.14 0.00 0.23 0.00 0.00 176.35 174.50 2hlu s ALA 31 N -2.97 1.14 0.00 4.21 0.00 -1.13 -3.79 121.76 119.22 2hlu s ALA 31 Ca 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2hlu s ALA 31 Cb -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2hlu s ALA 31 CO 0.57 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.93 2hlu n GLY 32 N 1.69 0.74 3.45 0.00 0.00 -0.59 -1.16 105.19 109.32 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 -3.94 0.36 -0.02 1.61 -2.14 -0.05 -0.63 118.94 114.13 2hlu s TRP 33 Ca 0.00 -0.71 0.03 0.00 2.66 0.00 0.00 56.10 58.09 2hlu s TRP 33 Cb 0.00 0.07 -0.00 0.00 -3.10 0.00 0.00 33.47 30.43 2hlu s TRP 33 CO 0.00 -0.84 -0.11 0.54 -2.66 0.00 0.00 176.95 173.88 2hlu s VAL 34 N -3.98 0.92 0.13 -0.66 0.11 -0.22 -1.25 120.40 115.45 2hlu s VAL 34 Ca 0.19 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 58.68 2hlu s VAL 34 Cb 0.01 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2hlu s VAL 34 CO 0.04 0.27 0.26 -1.59 -3.33 0.00 0.00 175.10 170.75 2hlu s LYS 35 N -0.01 1.04 0.78 1.54 -2.85 0.38 -0.74 119.74 119.88 2hlu s LYS 35 Ca -0.00 -1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 53.80 2hlu s LYS 35 Cb -0.07 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.13 2hlu s LYS 35 CO 0.00 -0.37 1.11 1.21 0.10 0.00 0.00 175.35 177.40 2hlu s ASN 36 N -2.91 4.31 -0.00 0.03 2.47 -1.25 -0.82 114.94 116.77 2hlu s ASN 36 Ca 0.11 1.93 0.08 0.00 0.42 0.00 0.00 52.86 55.40 2hlu s ASN 36 Cb 0.04 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.28 2hlu s ASN 36 CO -0.05 -2.17 -0.26 -0.60 -3.72 0.00 0.00 177.10 170.31 2hlu s ARG 37 N -4.72 1.98 0.49 0.43 3.52 0.02 -4.61 118.95 116.06 2hlu s ARG 37 Ca 0.63 -0.96 0.19 0.00 -0.13 0.00 0.00 55.73 55.46 2hlu s ARG 37 Cb -0.19 -1.98 1.22 0.00 -1.56 0.00 0.00 34.95 32.45 2hlu s ARG 37 CO 0.54 0.53 2.02 0.22 -0.81 0.00 0.00 175.30 177.80 2hlu h ASP 38 N 5.30 0.15 0.13 -2.12 3.58 -1.87 0.13 116.42 121.73 2hlu h ASP 38 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 2hlu h ASP 38 Cb 1.13 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 2hlu h ASP 38 CO 0.46 0.09 -0.03 -0.78 -2.88 0.00 0.00 179.24 176.10 2hlu h ASP 39 N 0.17 0.00 0.00 2.28 3.58 -1.96 -3.46 116.42 117.03 2hlu h ASP 39 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2hlu h ASP 39 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2hlu h ASP 39 CO -0.03 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2hlu n GLY 40 N -1.05 1.02 3.95 -0.78 0.00 0.46 -5.13 105.19 103.65 2hlu n GLY 40 Ca -0.03 0.00 -0.27 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 -0.04 1.35 0.02 1.61 1.81 -1.19 -4.85 118.95 117.66 2hlu s ARG 41 Ca 0.00 -0.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.41 2hlu s ARG 41 Cb 0.00 -2.08 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 2hlu s ARG 41 CO 0.00 -1.83 0.17 0.08 -0.68 0.00 0.00 175.30 173.04 2hlu s VAL 42 N -3.50 5.25 -0.02 3.52 1.01 -0.59 -0.80 120.40 125.27 2hlu s VAL 42 Ca 0.68 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2hlu s VAL 42 Cb -0.06 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2hlu s VAL 42 CO 0.48 0.25 -0.08 -0.70 0.00 0.00 0.00 175.10 175.06 2hlu s GLU 43 N -2.13 0.79 0.02 2.72 2.12 0.00 -1.09 118.70 121.13 2hlu s GLU 43 Ca 0.29 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.41 2hlu s GLU 43 Cb -0.13 -0.76 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 2hlu s GLU 43 CO 0.21 0.10 -0.12 0.42 -0.54 0.00 0.00 175.26 175.33 2hlu s ILE 44 N 0.16 0.96 -0.06 -3.70 1.01 0.38 -0.47 121.20 119.48 2hlu s ILE 44 Ca -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2hlu s ILE 44 Cb -0.07 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.58 2hlu s ILE 44 CO 0.00 0.06 0.11 -0.22 0.00 0.00 0.00 174.94 174.89 2hlu s LEU 45 N -0.83 0.52 0.03 2.97 0.20 -0.38 -0.64 118.68 120.55 2hlu s LEU 45 Ca 0.02 0.21 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 2hlu s LEU 45 Cb -0.07 0.16 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 2hlu s LEU 45 CO 0.01 -0.18 0.03 0.00 -0.29 0.00 0.00 176.35 175.91 2hlu s ALA 46 N 1.58 0.06 0.09 5.97 0.00 -0.69 -0.87 121.76 127.89 2hlu s ALA 46 Ca -0.04 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.37 2hlu s ALA 46 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2hlu s ALA 46 CO -0.05 -0.23 -0.10 -1.83 0.00 0.00 0.00 175.76 173.55 2hlu s GLU 47 N -2.03 0.80 0.00 0.00 -1.05 -0.31 -1.18 118.70 114.93 2hlu s GLU 47 Ca -0.10 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 2hlu s GLU 47 Cb -0.05 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.12 2hlu s GLU 47 CO -0.03 0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.68 2hlu n GLY 48 N 0.74 -1.54 3.65 -3.83 0.00 -0.57 -2.82 105.19 100.82 2hlu n GLY 48 Ca -0.17 -1.18 -0.39 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 -0.11 1.29 0.08 1.61 -0.02 -1.26 -0.98 135.00 135.61 2hlu n PRO 49 Ca 0.00 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 2hlu n PRO 49 Cb 0.00 -2.24 0.28 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.12 0.31 -0.24 -0.52 4.11 -1.92 -0.49 114.58 116.95 2hlu h GLU 50 Ca -0.48 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 58.74 2hlu h GLU 50 Cb 1.34 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2hlu h GLU 50 CO 0.55 0.54 -0.28 -0.97 0.07 0.00 0.00 179.01 178.91 2hlu h ASN 51 N 0.28 0.66 -0.41 3.06 -0.73 -1.99 -0.96 115.58 115.49 2hlu h ASN 51 Ca 0.05 -0.49 0.00 0.00 1.87 0.00 0.00 56.30 57.73 2hlu h ASN 51 Cb 0.58 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 2hlu h ASN 51 CO 0.04 1.02 0.27 0.00 -0.37 0.00 0.00 177.43 178.39 2hlu h ALA 52 N 0.66 0.52 -0.41 1.57 0.00 -1.88 -1.13 119.26 118.58 2hlu h ALA 52 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2hlu h ALA 52 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2hlu h ALA 52 CO 0.07 -0.02 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 2hlu h LEU 53 N 0.56 0.60 -0.57 0.00 3.38 -1.05 -0.30 115.31 117.94 2hlu h LEU 53 Ca 0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2hlu h LEU 53 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2hlu h LEU 53 CO -0.03 0.65 0.20 1.56 0.09 0.00 0.00 178.44 180.91 2hlu h GLN 54 N 0.53 0.86 -0.91 1.13 4.20 -0.99 0.45 115.11 120.37 2hlu h GLN 54 Ca 0.13 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2hlu h GLN 54 Cb 0.26 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2hlu h GLN 54 CO -0.00 0.77 0.60 0.77 -0.67 0.00 0.00 178.83 180.29 2hlu h SER 55 N 0.79 0.98 0.53 1.46 0.02 -1.05 -1.22 113.55 115.05 2hlu h SER 55 Ca 0.19 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2hlu h SER 55 Cb 0.25 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2hlu h SER 55 CO -0.01 0.67 -0.51 0.15 -1.14 0.00 0.00 176.83 175.98 2hlu h PHE 56 N 1.13 0.00 -0.41 3.45 3.57 -0.25 -1.05 116.94 123.38 2hlu h PHE 56 Ca 0.37 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 2hlu h PHE 56 Cb 0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2hlu h PHE 56 CO -0.00 0.51 0.20 0.28 -2.23 0.00 0.00 178.31 177.07 2hlu h VAL 57 N 0.00 1.18 -0.75 1.41 2.07 0.18 0.65 116.25 120.98 2hlu h VAL 57 Ca -0.01 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2hlu h VAL 57 Cb 0.92 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2hlu h VAL 57 CO 0.07 0.19 0.48 -0.33 0.02 0.00 0.00 177.57 178.00 2hlu h GLU 58 N 0.53 1.00 -0.03 1.57 5.08 -0.71 0.10 114.58 122.12 2hlu h GLU 58 Ca 0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2hlu h GLU 58 Cb 0.12 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2hlu h GLU 58 CO -0.02 0.68 0.01 0.00 -1.00 0.00 0.00 179.01 178.68 2hlu h ALA 59 N 1.50 0.04 -0.24 3.43 0.00 -0.94 -3.27 119.26 119.77 2hlu h ALA 59 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2hlu h ALA 59 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2hlu h ALA 59 CO -0.06 -0.32 0.03 0.28 0.00 0.00 0.00 179.25 179.19 2hlu h VAL 60 N -0.19 1.23 0.00 0.00 2.07 -0.16 -3.08 116.25 116.13 2hlu h VAL 60 Ca 0.01 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2hlu h VAL 60 Cb 0.26 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2hlu h VAL 60 CO 0.00 0.25 -0.08 0.07 0.02 0.00 0.00 177.57 177.83 2hlu h LYS 61 N 0.21 0.00 0.00 1.57 2.10 -0.93 -0.50 116.57 119.02 2hlu h LYS 61 Ca 0.07 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.67 2hlu h LYS 61 Cb 0.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2hlu h LYS 61 CO 0.01 0.08 -0.26 -0.97 -2.00 0.00 0.00 179.45 176.30 2hlu h ASN 62 N 0.00 0.00 -3.43 7.07 -1.24 -1.59 -3.45 115.58 112.94 2hlu h ASN 62 Ca -0.00 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.13 2hlu h ASN 62 Cb 0.29 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 2hlu h ASN 62 CO 0.01 0.26 -0.16 0.61 -1.29 0.00 0.00 177.43 176.86 2hlu n GLY 63 N -0.63 -1.97 3.74 1.57 0.00 -0.20 -4.53 105.19 103.18 2hlu n GLY 63 Ca -0.02 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.16 4.06 0.58 1.61 1.04 -1.26 -4.86 113.70 110.71 2hlu s SER 64 Ca 0.00 1.94 0.33 0.00 0.48 0.00 0.00 55.95 58.70 2hlu s SER 64 Cb 0.00 -2.54 1.40 0.00 0.10 0.00 0.00 66.02 64.99 2hlu s SER 64 CO 0.00 -2.34 1.70 -0.65 0.98 0.00 0.00 173.24 172.94 2hlu h PRO 65 N -1.31 0.00 0.00 4.02 0.11 -1.98 -0.08 132.00 132.76 2hlu h PRO 65 Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2hlu h PRO 65 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2hlu h PRO 65 CO 0.49 0.00 -0.91 0.74 -0.21 0.00 0.00 178.00 178.11 2hlu h PHE 66 N 0.00 0.00 -3.93 0.65 0.04 -1.95 -3.47 116.94 108.27 2hlu h PHE 66 Ca 0.46 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.78 2hlu h PHE 66 Cb 2.17 0.00 0.16 0.00 2.20 0.00 0.00 35.95 40.47 2hlu h PHE 66 CO 0.00 0.71 0.22 -1.12 -0.60 0.00 0.00 178.31 177.52 2hlu s SER 67 N -6.39 2.64 -0.37 2.17 0.01 -0.04 -4.99 113.70 106.73 2hlu s SER 67 Ca 0.01 1.02 0.02 0.00 1.31 0.00 0.00 55.95 58.30 2hlu s SER 67 Cb 0.09 -1.59 0.15 0.00 0.21 0.00 0.00 66.02 64.87 2hlu s SER 67 CO 0.79 -3.10 0.28 -0.75 0.41 0.00 0.00 173.24 170.87 2hlu s LYS 68 N -5.13 0.63 0.29 12.44 2.36 0.04 -4.83 119.74 125.54 2hlu s LYS 68 Ca 0.66 -1.33 -0.30 0.00 -2.55 0.00 0.00 55.97 52.45 2hlu s LYS 68 Cb -0.16 -1.15 -0.11 0.00 -1.05 0.00 0.00 37.83 35.36 2hlu s LYS 68 CO 0.56 -1.24 1.51 0.08 1.55 0.00 0.00 175.35 177.81 2hlu s VAL 69 N 1.00 2.31 -0.07 4.02 1.01 -1.26 -0.89 120.40 126.52 2hlu s VAL 69 Ca 0.20 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.54 2hlu s VAL 69 Cb -0.17 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 2hlu s VAL 69 CO -0.03 0.05 0.09 0.35 0.00 0.00 0.00 175.10 175.56 2hlu n THR 70 N 1.95 0.46 -3.55 3.92 -2.24 0.16 -4.92 114.28 110.07 2hlu n THR 70 Ca 0.06 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2hlu n THR 70 Cb 0.39 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.88 -0.64 0.16 3.42 2.15 -1.12 -5.01 116.67 111.76 2hlu s ASP 71 Ca -0.04 0.75 0.05 0.00 0.43 0.00 0.00 52.55 53.73 2hlu s ASP 71 Cb 0.04 0.61 -0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2hlu s ASP 71 CO 0.40 -0.56 -0.09 0.27 -0.17 0.00 0.00 175.17 175.02 2hlu s ILE 72 N -1.04 1.18 0.05 4.11 -4.36 -1.26 -1.07 121.20 118.81 2hlu s ILE 72 Ca -0.10 -2.07 -0.03 0.00 -0.26 0.00 0.00 60.65 58.19 2hlu s ILE 72 Cb -0.01 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 2hlu s ILE 72 CO 0.09 -0.68 0.02 -0.44 0.24 0.00 0.00 174.94 174.17 2hlu s SER 73 N -3.20 0.35 0.02 4.36 0.01 -0.27 -4.98 113.70 110.00 2hlu s SER 73 Ca 0.19 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2hlu s SER 73 Cb 0.03 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 2hlu s SER 73 CO 0.02 -0.56 -0.03 -0.69 0.41 0.00 0.00 173.24 172.39 2hlu s VAL 74 N -3.37 0.13 0.06 3.43 1.01 -1.26 -0.81 120.40 119.58 2hlu s VAL 74 Ca 0.02 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2hlu s VAL 74 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 2hlu s VAL 74 CO -0.08 -0.33 -0.13 -0.89 0.00 0.00 0.00 175.10 173.67 2hlu s THR 75 N -1.00 1.03 0.07 3.92 2.01 0.46 -4.99 115.64 117.13 2hlu s THR 75 Ca -0.10 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 60.78 2hlu s THR 75 Cb -0.07 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2hlu s THR 75 CO -0.01 -0.16 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.04 2hlu s GLU 76 N -1.50 0.74 0.25 4.92 2.02 -1.26 -0.98 118.70 122.90 2hlu s GLU 76 Ca -0.02 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 53.79 2hlu s GLU 76 Cb -0.09 -0.58 0.03 0.00 0.10 0.00 0.00 34.13 33.59 2hlu s GLU 76 CO 0.02 0.11 0.73 -1.12 0.02 0.00 0.00 175.26 175.02 2hlu s SER 77 N -1.92 -0.28 -0.38 -0.19 0.01 -0.75 -4.98 113.70 105.20 2hlu s SER 77 Ca -0.02 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 56.82 2hlu s SER 77 Cb -0.08 0.69 0.31 0.00 0.21 0.00 0.00 66.02 67.16 2hlu s SER 77 CO 0.01 -1.26 0.66 -1.14 0.41 0.00 0.00 173.24 171.92 2hlu n ARG 78 N -0.45 0.87 -3.15 12.44 0.63 -1.26 -2.91 116.66 122.83 2hlu n ARG 78 Ca -0.06 -3.27 -0.21 0.00 -0.92 0.00 0.00 57.85 53.39 2hlu n ARG 78 Cb 0.60 -1.51 -0.04 0.00 0.45 0.00 0.00 32.46 31.96 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2hlu n SER 79 N 0.71 1.64 -4.58 6.15 7.64 -1.26 -5.09 113.62 118.85 2hlu n SER 79 Ca 0.23 -3.13 -0.38 0.00 1.01 0.00 0.00 58.87 56.60 2hlu n SER 79 Cb 0.61 -0.61 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.36 2.90 0.16 -3.43 7.99 -1.26 -4.93 117.00 118.79 2hlu n LEU 80 Ca 0.26 0.79 0.01 0.00 -0.01 0.00 0.00 56.01 57.06 2hlu n LEU 80 Cb 0.57 -1.33 0.26 0.00 -0.11 0.00 0.00 43.42 42.81 2hlu n LEU 80 CO 0.24 -2.17 0.60 -0.33 -1.51 0.00 0.00 177.39 174.23 2hlu h GLU 81 N 0.44 0.00 -3.44 3.23 4.39 -1.97 -3.47 114.58 113.76 2hlu h GLU 81 Ca -0.48 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.83 2hlu h GLU 81 Cb 1.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2hlu h GLU 81 CO 0.50 0.50 -0.53 0.41 -1.16 0.00 0.00 179.01 178.73 2hlu n GLY 82 N -0.06 -0.50 3.92 -3.84 0.00 -1.26 -4.99 105.19 98.46 2hlu n GLY 82 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.03 3.05 -0.00 1.61 3.76 -1.26 -5.04 115.29 114.38 2hlu s HIS 83 Ca 0.07 0.56 0.01 0.00 -0.15 0.00 0.00 55.06 55.55 2hlu s HIS 83 Cb -0.03 -3.06 0.01 0.00 1.11 0.00 0.00 32.58 30.61 2hlu s HIS 83 CO 0.09 -1.23 0.77 0.72 -0.85 0.00 0.00 174.74 174.24 2hlu n HIS 84 N -2.84 0.00 -3.87 1.40 8.25 -1.26 -4.88 115.22 112.02 2hlu n HIS 84 Ca 0.07 -0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.17 2hlu n HIS 84 Cb 0.59 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.56 0.95 0.17 -0.41 1.70 -1.26 -4.98 118.95 114.56 2hlu s ARG 85 Ca 0.01 -1.00 0.03 0.00 -0.47 0.00 0.00 55.73 54.31 2hlu s ARG 85 Cb 0.01 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 2hlu s ARG 85 CO 0.00 -0.32 0.29 0.12 -1.08 0.00 0.00 175.30 174.30 2hlu s PHE 86 N -3.89 3.44 0.06 5.89 5.36 -1.25 -1.55 117.98 126.05 2hlu s PHE 86 Ca 0.08 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 2hlu s PHE 86 Cb 0.04 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 2hlu s PHE 86 CO -0.08 0.50 -0.04 -1.12 -1.46 0.00 0.00 175.22 173.02 2hlu s SER 87 N -3.41 0.67 0.01 6.13 0.01 0.20 -4.89 113.70 112.42 2hlu s SER 87 Ca 0.34 -0.94 0.06 0.00 1.31 0.00 0.00 55.95 56.72 2hlu s SER 87 Cb -0.10 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 2hlu s SER 87 CO 0.28 -0.52 -0.17 -0.63 0.41 0.00 0.00 173.24 172.62 2hlu s ILE 88 N -3.50 2.89 0.13 1.44 1.01 -1.26 -1.06 121.20 120.85 2hlu s ILE 88 Ca 0.05 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2hlu s ILE 88 Cb 0.05 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2hlu s ILE 88 CO -0.07 0.43 -0.07 -0.69 0.00 0.00 0.00 174.94 174.53 2hlu s VAL 89 N -0.86 0.87 -0.01 2.92 1.01 0.09 -4.92 120.40 119.50 2hlu s VAL 89 Ca 0.14 -1.99 0.01 0.00 0.00 0.00 0.00 61.98 60.14 2hlu s VAL 89 Cb -0.11 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2hlu s VAL 89 CO 0.04 -0.77 0.78 -1.22 0.00 0.00 0.00 175.10 173.93 2hlu n TYR 90 N -0.13 0.00 -0.94 5.22 4.01 -1.26 -3.84 117.16 120.22 2hlu n TYR 90 Ca -0.11 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 2hlu n TYR 90 Cb 0.61 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83