#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 1.88 0.03 4.03 2.96 -0.25 -4.96 118.68 122.37 2hlu s LEU 2 Ca 0.00 -1.26 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 2hlu s LEU 2 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 2hlu s LEU 2 CO 0.00 -0.65 -0.04 -1.58 -1.32 0.00 0.00 176.35 172.76 2hlu s GLN 3 N -3.98 0.41 0.16 1.98 -0.44 -0.88 -1.48 119.66 115.43 2hlu s GLN 3 Ca 0.30 -0.74 -0.02 0.00 -2.50 0.00 0.00 55.36 52.39 2hlu s GLN 3 Cb 0.07 0.03 -0.04 0.00 -1.64 0.00 0.00 33.01 31.43 2hlu s GLN 3 CO 0.08 -0.04 0.12 1.52 0.50 0.00 0.00 175.29 177.47 2hlu s TYR 4 N -1.82 0.90 -0.04 1.67 -0.85 -0.36 -0.97 117.35 115.87 2hlu s TYR 4 Ca -0.11 -1.22 0.04 0.00 -0.52 0.00 0.00 57.07 55.26 2hlu s TYR 4 Cb -0.07 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.83 2hlu s TYR 4 CO -0.02 -0.60 -0.16 0.50 -1.52 0.00 0.00 175.55 173.75 2hlu s ARG 5 N -4.08 1.70 0.01 -3.49 3.52 -0.10 -1.63 118.95 114.88 2hlu s ARG 5 Ca 0.29 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 2hlu s ARG 5 Cb 0.07 -1.47 -0.01 0.00 -1.56 0.00 0.00 34.95 31.97 2hlu s ARG 5 CO 0.06 0.20 -0.10 0.42 -0.81 0.00 0.00 175.30 175.07 2hlu s ILE 6 N 0.13 0.76 0.02 4.11 1.01 0.34 -0.78 121.20 126.79 2hlu s ILE 6 Ca -0.05 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.13 2hlu s ILE 6 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2hlu s ILE 6 CO 0.02 0.12 -0.24 -0.63 0.00 0.00 0.00 174.94 174.21 2hlu s ILE 7 N -0.42 1.89 -0.09 2.92 -1.09 -0.12 -0.61 121.20 123.68 2hlu s ILE 7 Ca 0.02 -1.17 -0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2hlu s ILE 7 Cb -0.05 -1.61 0.02 0.00 -1.58 0.00 0.00 42.46 39.25 2hlu s ILE 7 CO -0.00 0.40 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.36 2hlu s VAL 8 N -0.69 0.85 -0.15 2.92 1.01 -0.06 -1.07 120.40 123.22 2hlu s VAL 8 Ca 0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2hlu s VAL 8 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2hlu s VAL 8 CO 0.01 0.33 0.15 -0.62 0.00 0.00 0.00 175.10 174.97 2hlu s ASP 9 N 1.62 6.34 0.00 3.32 2.15 -0.04 -1.37 116.67 128.69 2hlu s ASP 9 Ca 0.02 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2hlu s ASP 9 Cb -0.13 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2hlu s ASP 9 CO -0.06 0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.86 2hlu n GLY 10 N 2.61 -1.95 3.55 2.66 0.00 -1.26 -0.55 105.19 110.25 2hlu n GLY 10 Ca -0.18 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.86 2.71 0.00 1.61 3.52 -0.30 -4.63 118.95 120.00 2hlu s ARG 11 Ca 0.00 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2hlu s ARG 11 Cb 0.00 -4.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 2hlu s ARG 11 CO 0.00 -2.63 0.00 1.33 -0.81 0.00 0.00 175.30 173.19 2hlu n VAL 12 N 7.19 0.00 -0.06 7.11 0.24 -1.26 -1.39 118.33 130.16 2hlu n VAL 12 Ca 0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.38 2hlu n VAL 12 Cb 0.52 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.78 2hlu n VAL 12 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2hlu h GLN 13 N 0.00 -0.01 -0.08 7.34 4.20 -1.84 -1.09 115.11 123.63 2hlu h GLN 13 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2hlu h GLN 13 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2hlu h GLN 13 CO 0.00 0.80 -0.47 0.78 -0.67 0.00 0.00 178.83 179.27 2hlu h GLY 14 N -0.98 0.21 1.67 3.46 0.00 -1.96 -1.71 103.07 103.76 2hlu h GLY 14 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2hlu h GLY 14 CO 0.00 0.20 0.00 3.33 0.00 0.00 0.00 176.54 180.07 2hlu n VAL 15 N -3.98 0.42 -2.59 4.60 0.24 -1.25 -4.92 118.33 110.86 2hlu n VAL 15 Ca -0.02 0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.30 2hlu n VAL 15 Cb 0.51 -0.76 0.02 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.49 0.18 0.36 7.63 0.00 -0.64 -4.93 105.19 108.28 2hlu n GLY 16 Ca 0.09 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.60 0.97 -0.99 1.61 3.57 -1.41 -0.75 116.94 119.34 2hlu h PHE 17 Ca -0.22 0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.57 2hlu h PHE 17 Cb 1.15 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 2hlu h PHE 17 CO 0.22 0.13 0.67 0.07 -2.23 0.00 0.00 178.31 177.17 2hlu h ARG 18 N 0.62 0.25 -0.20 1.11 0.11 -1.91 -0.28 114.38 114.07 2hlu h ARG 18 Ca 0.61 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.49 2hlu h ARG 18 Cb 1.14 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.17 2hlu h ARG 18 CO -0.41 0.16 -0.60 1.88 0.10 0.00 0.00 179.97 181.11 2hlu h TYR 19 N 0.25 0.99 -0.32 4.08 0.05 -1.51 0.28 116.97 120.79 2hlu h TYR 19 Ca 0.52 -0.40 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 2hlu h TYR 19 Cb 1.56 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 39.12 2hlu h TYR 19 CO -0.00 1.21 0.19 0.74 -1.05 0.00 0.00 178.16 179.24 2hlu h PHE 20 N 0.49 0.43 -0.65 4.88 -1.00 -1.20 -1.42 116.94 118.47 2hlu h PHE 20 Ca -0.02 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.80 2hlu h PHE 20 Cb 1.22 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 40.60 2hlu h PHE 20 CO 0.09 0.33 0.39 0.28 -1.61 0.00 0.00 178.31 177.78 2hlu h VAL 21 N 0.40 1.03 -0.16 -0.55 2.07 -1.08 -0.50 116.25 117.46 2hlu h VAL 21 Ca 0.11 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2hlu h VAL 21 Cb 0.03 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2hlu h VAL 21 CO -0.02 0.13 -0.04 -0.61 0.02 0.00 0.00 177.57 177.06 2hlu h GLN 22 N 0.74 0.01 -0.28 1.57 5.75 -0.42 -0.59 115.11 121.88 2hlu h GLN 22 Ca 0.28 -0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.62 2hlu h GLN 22 Cb 0.09 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2hlu h GLN 22 CO -0.14 0.00 -0.46 0.52 -2.65 0.00 0.00 178.83 176.10 2hlu h MET 23 N 0.01 0.74 -0.12 1.69 2.86 -0.89 -1.10 114.93 118.12 2hlu h MET 23 Ca 0.08 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.19 2hlu h MET 23 Cb 0.12 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2hlu h MET 23 CO -0.16 1.04 -0.41 0.93 1.06 0.00 0.00 176.91 179.37 2hlu h GLU 24 N 0.59 0.27 -0.20 1.72 4.39 -0.90 -0.90 114.58 119.56 2hlu h GLU 24 Ca 0.03 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2hlu h GLU 24 Cb 1.03 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2hlu h GLU 24 CO 0.10 0.64 -0.18 0.00 -1.16 0.00 0.00 179.01 178.40 2hlu h ALA 25 N 1.35 0.29 -0.34 3.43 0.00 -0.94 -3.18 119.26 119.88 2hlu h ALA 25 Ca 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2hlu h ALA 25 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hlu h ALA 25 CO 0.06 0.20 0.10 0.22 0.00 0.00 0.00 179.25 179.83 2hlu h ASP 26 N 0.14 0.50 0.39 0.00 3.58 -0.94 -1.25 116.42 118.84 2hlu h ASP 26 Ca 0.03 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2hlu h ASP 26 Cb 0.72 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2hlu h ASP 26 CO 0.05 0.58 -0.03 0.07 -2.88 0.00 0.00 179.24 177.03 2hlu h LYS 27 N 0.39 0.00 -0.65 0.28 5.09 -1.28 -0.63 116.57 119.76 2hlu h LYS 27 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 2hlu h LYS 27 Cb 0.27 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.60 2hlu h LYS 27 CO -0.00 0.03 0.00 -2.13 -2.09 0.00 0.00 179.45 175.26 2hlu n ARG 28 N -3.25 2.68 -3.30 0.07 3.00 -0.83 -4.98 116.66 110.05 2hlu n ARG 28 Ca -0.02 -2.58 -0.22 0.00 -0.00 0.00 0.00 57.85 55.03 2hlu n ARG 28 Cb 0.18 -1.56 -0.01 0.00 0.00 0.00 0.00 32.46 31.08 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 1.61 -3.21 -1.45 -0.14 5.02 -0.25 -4.95 118.16 114.80 2hlu n LYS 29 Ca 0.23 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 2hlu n LYS 29 Cb 0.62 -5.14 0.11 0.00 -0.02 0.00 0.00 35.03 30.60 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 -6.39 2.43 0.04 -0.35 1.43 -0.60 -4.98 118.68 110.26 2hlu s LEU 30 Ca 0.37 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2hlu s LEU 30 Cb -0.20 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 2hlu s LEU 30 CO 0.45 -2.24 -0.10 0.00 0.23 0.00 0.00 176.35 174.70 2hlu s ALA 31 N -3.10 0.76 0.00 4.21 0.00 -0.91 -3.86 121.76 118.86 2hlu s ALA 31 Ca 0.62 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2hlu s ALA 31 Cb -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2hlu s ALA 31 CO 0.55 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2hlu n GLY 32 N 1.68 0.75 3.22 0.00 0.00 -0.44 -0.56 105.19 109.84 2hlu n GLY 32 Ca -0.21 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.69 0.78 0.05 1.61 -2.14 -0.01 -1.00 118.94 114.54 2hlu s TRP 33 Ca 0.00 -1.12 0.05 0.00 2.66 0.00 0.00 56.10 57.69 2hlu s TRP 33 Cb 0.00 -0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 29.98 2hlu s TRP 33 CO 0.00 -0.61 -0.15 0.54 -2.66 0.00 0.00 176.95 174.06 2hlu s VAL 34 N -4.05 1.23 0.05 -0.66 0.11 -0.31 -0.97 120.40 115.80 2hlu s VAL 34 Ca 0.25 -1.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.04 2hlu s VAL 34 Cb 0.06 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2hlu s VAL 34 CO 0.03 -0.04 0.23 -1.59 -3.33 0.00 0.00 175.10 170.40 2hlu s LYS 35 N -1.37 0.75 0.83 1.54 -2.85 0.41 -0.98 119.74 118.07 2hlu s LYS 35 Ca 0.02 -0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 54.22 2hlu s LYS 35 Cb -0.09 0.32 0.09 0.00 -2.06 0.00 0.00 37.83 36.09 2hlu s LYS 35 CO 0.02 -0.23 1.09 0.54 0.10 0.00 0.00 175.35 176.87 2hlu s ASN 36 N -2.22 4.10 0.04 0.03 4.22 -1.25 -0.94 114.94 118.93 2hlu s ASN 36 Ca -0.03 1.48 0.08 0.00 -2.14 0.00 0.00 52.86 52.25 2hlu s ASN 36 Cb -0.00 -2.20 -0.03 0.00 1.28 0.00 0.00 41.25 40.31 2hlu s ASN 36 CO -0.05 -2.24 -0.23 -0.13 -2.04 0.00 0.00 177.10 172.41 2hlu s ARG 37 N -5.01 1.53 0.45 3.55 0.52 -0.06 -4.72 118.95 115.21 2hlu s ARG 37 Ca 0.62 -0.99 0.13 0.00 -0.52 0.00 0.00 55.73 54.97 2hlu s ARG 37 Cb -0.16 -1.66 1.01 0.00 0.52 0.00 0.00 34.95 34.65 2hlu s ARG 37 CO 0.56 0.43 2.03 0.22 0.02 0.00 0.00 175.30 178.55 2hlu h ASP 38 N 4.88 0.12 0.45 0.23 3.58 -1.92 -1.31 116.42 122.45 2hlu h ASP 38 Ca -0.44 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2hlu h ASP 38 Cb 1.15 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2hlu h ASP 38 CO 0.44 0.20 0.00 -0.90 -2.88 0.00 0.00 179.24 176.10 2hlu n ASP 39 N -4.40 0.07 0.00 2.28 5.68 -1.26 -4.88 116.55 114.04 2hlu n ASP 39 Ca -0.01 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2hlu n ASP 39 Cb 0.18 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 2hlu n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hlu n GLY 40 N -0.21 1.98 3.66 6.12 0.00 -0.49 -5.10 105.19 111.14 2hlu n GLY 40 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.41 -0.27 0.10 1.61 0.52 -1.26 -4.72 118.95 114.52 2hlu s ARG 41 Ca 0.00 0.18 0.09 0.00 -0.52 0.00 0.00 55.73 55.48 2hlu s ARG 41 Cb 0.00 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 2hlu s ARG 41 CO 0.00 -3.13 -0.19 0.08 0.02 0.00 0.00 175.30 172.08 2hlu s VAL 42 N -3.06 2.78 -0.00 3.52 1.01 -0.47 -0.88 120.40 123.30 2hlu s VAL 42 Ca 0.68 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2hlu s VAL 42 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2hlu s VAL 42 CO 0.56 0.16 -0.11 -0.70 0.00 0.00 0.00 175.10 175.01 2hlu s GLU 43 N -1.97 0.85 -0.00 2.72 2.12 -0.11 -0.88 118.70 121.43 2hlu s GLU 43 Ca 0.17 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2hlu s GLU 43 Cb -0.10 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.46 2hlu s GLU 43 CO 0.09 0.22 -0.07 0.42 -0.54 0.00 0.00 175.26 175.38 2hlu s ILE 44 N -0.32 0.51 -0.11 -3.70 1.01 0.22 -0.45 121.20 118.36 2hlu s ILE 44 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2hlu s ILE 44 Cb -0.04 -0.44 0.06 0.00 0.01 0.00 0.00 42.46 42.05 2hlu s ILE 44 CO -0.00 0.13 0.22 -0.22 0.00 0.00 0.00 174.94 175.07 2hlu s LEU 45 N -0.19 -0.21 0.01 2.97 0.20 -0.15 -0.51 118.68 120.80 2hlu s LEU 45 Ca 0.02 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.31 2hlu s LEU 45 Cb -0.03 0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 46.25 2hlu s LEU 45 CO -0.00 -0.24 0.01 0.00 -0.29 0.00 0.00 176.35 175.82 2hlu s ALA 46 N 2.37 0.00 0.01 5.97 0.00 -0.65 -0.83 121.76 128.64 2hlu s ALA 46 Ca 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.74 2hlu s ALA 46 Cb -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2hlu s ALA 46 CO -0.07 -0.12 -0.21 -2.00 0.00 0.00 0.00 175.76 173.36 2hlu s GLU 47 N -0.97 1.59 0.00 0.00 2.12 0.27 -1.22 118.70 120.49 2hlu s GLU 47 Ca -0.11 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.38 2hlu s GLU 47 Cb -0.07 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2hlu s GLU 47 CO -0.00 0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2hlu n GLY 48 N 2.25 -1.41 3.77 -1.50 0.00 -0.55 -2.14 105.19 105.61 2hlu n GLY 48 Ca -0.16 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 2hlu n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hlu s PRO 49 N -1.07 3.20 0.29 1.61 0.04 -1.26 -1.09 135.00 136.73 2hlu s PRO 49 Ca 0.00 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2hlu s PRO 49 Cb 0.00 -1.99 0.43 0.00 0.04 0.00 0.00 34.50 32.99 2hlu s PRO 49 CO 0.00 -0.96 1.95 1.49 0.04 0.00 0.00 177.00 179.52 2hlu h GLU 50 N 0.93 1.11 -0.47 4.56 4.81 -1.95 -1.38 114.58 122.18 2hlu h GLU 50 Ca -0.49 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.63 2hlu h GLU 50 Cb 1.26 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2hlu h GLU 50 CO 0.56 0.73 0.15 -0.97 -0.73 0.00 0.00 179.01 178.76 2hlu h ASN 51 N 1.14 0.67 -0.41 1.04 -0.73 -1.99 0.12 115.58 115.42 2hlu h ASN 51 Ca 0.33 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2hlu h ASN 51 Cb -0.06 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 2hlu h ASN 51 CO -0.09 0.69 0.13 0.00 -0.37 0.00 0.00 177.43 177.80 2hlu h ALA 52 N 1.01 0.54 -0.39 1.57 0.00 -1.82 -1.60 119.26 118.57 2hlu h ALA 52 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hlu h ALA 52 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2hlu h ALA 52 CO -0.01 0.19 0.19 -0.07 0.00 0.00 0.00 179.25 179.55 2hlu h LEU 53 N 0.53 0.51 -0.49 0.00 3.38 -0.93 -0.11 115.31 118.20 2hlu h LEU 53 Ca 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2hlu h LEU 53 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2hlu h LEU 53 CO -0.00 0.49 0.16 1.56 0.09 0.00 0.00 178.44 180.73 2hlu h GLN 54 N 0.49 0.75 -0.98 1.13 1.08 -0.71 0.05 115.11 116.93 2hlu h GLN 54 Ca 0.13 -0.16 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2hlu h GLN 54 Cb 0.11 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2hlu h GLN 54 CO -0.02 0.70 0.63 0.77 -0.95 0.00 0.00 178.83 179.97 2hlu h SER 55 N 0.65 1.01 0.40 1.46 0.02 -1.08 -1.36 113.55 114.66 2hlu h SER 55 Ca 0.16 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 2hlu h SER 55 Cb 0.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2hlu h SER 55 CO -0.01 0.66 -0.51 0.15 -1.14 0.00 0.00 176.83 175.98 2hlu h PHE 56 N 1.15 0.15 -0.41 3.45 3.57 -0.32 -1.07 116.94 123.47 2hlu h PHE 56 Ca 0.42 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2hlu h PHE 56 Cb 0.15 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2hlu h PHE 56 CO -0.00 0.61 0.20 0.28 -2.23 0.00 0.00 178.31 177.17 2hlu h VAL 57 N 0.10 1.17 -0.55 1.41 2.07 -0.03 0.78 116.25 121.20 2hlu h VAL 57 Ca 0.00 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2hlu h VAL 57 Cb 0.93 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2hlu h VAL 57 CO 0.07 0.19 0.31 -0.33 0.02 0.00 0.00 177.57 177.83 2hlu h GLU 58 N 0.53 0.74 0.12 1.57 5.08 -0.75 0.81 114.58 122.68 2hlu h GLU 58 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2hlu h GLU 58 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hlu h GLU 58 CO -0.02 0.54 -0.06 0.00 -1.00 0.00 0.00 179.01 178.47 2hlu h ALA 59 N 1.59 -0.16 -0.58 3.43 0.00 -0.96 -3.34 119.26 119.24 2hlu h ALA 59 Ca 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2hlu h ALA 59 Cb -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2hlu h ALA 59 CO -0.03 -0.43 0.22 0.28 0.00 0.00 0.00 179.25 179.28 2hlu h VAL 60 N -0.48 1.23 0.00 0.00 2.07 -0.04 -2.78 116.25 116.25 2hlu h VAL 60 Ca -0.02 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2hlu h VAL 60 Cb 0.38 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2hlu h VAL 60 CO 0.03 0.28 0.00 0.07 0.02 0.00 0.00 177.57 177.97 2hlu h LYS 61 N 0.81 0.00 0.00 1.57 2.10 -0.99 -0.46 116.57 119.59 2hlu h LYS 61 Ca 0.19 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.78 2hlu h LYS 61 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2hlu h LYS 61 CO -0.01 0.00 -0.28 -0.97 -2.00 0.00 0.00 179.45 176.19 2hlu h ASN 62 N 0.00 0.00 -2.62 7.07 -1.24 -1.61 -3.47 115.58 113.71 2hlu h ASN 62 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2hlu h ASN 62 Cb 0.19 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2hlu h ASN 62 CO 0.00 0.28 -0.09 0.61 -1.29 0.00 0.00 177.43 176.94 2hlu n GLY 63 N -0.42 -1.60 3.72 1.57 0.00 -0.18 -4.70 105.19 103.58 2hlu n GLY 63 Ca -0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.32 3.65 0.00 1.61 1.04 -1.26 -4.87 113.70 109.56 2hlu s SER 64 Ca 0.00 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2hlu s SER 64 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2hlu s SER 64 CO 0.00 -2.57 0.60 -0.81 0.98 0.00 0.00 173.24 171.44 2hlu n PRO 65 N -3.86 0.00 -0.00 4.02 -0.04 -1.26 -1.28 135.00 132.57 2hlu n PRO 65 Ca 0.09 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.69 2hlu n PRO 65 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2hlu n PRO 65 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2hlu n PHE 66 N -1.10 0.00 -1.39 0.54 3.72 -1.26 -5.05 117.46 112.92 2hlu n PHE 66 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2hlu n PHE 66 Cb 0.00 -0.02 0.16 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.79 2.89 -0.33 4.37 0.01 -0.41 -4.98 113.70 113.47 2hlu s SER 67 Ca 0.02 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 2hlu s SER 67 Cb 0.05 -1.50 0.12 0.00 0.21 0.00 0.00 66.02 64.90 2hlu s SER 67 CO 0.27 -2.93 0.17 -0.75 0.41 0.00 0.00 173.24 170.41 2hlu s LYS 68 N -5.22 0.44 0.22 12.44 2.20 -0.48 -4.85 119.74 124.49 2hlu s LYS 68 Ca 0.66 -1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2hlu s LYS 68 Cb -0.15 -1.32 -0.10 0.00 -1.51 0.00 0.00 37.83 34.74 2hlu s LYS 68 CO 0.55 -1.12 1.48 0.08 -0.36 0.00 0.00 175.35 175.98 2hlu s VAL 69 N 1.48 2.64 -0.01 4.02 1.01 -1.26 -1.15 120.40 127.13 2hlu s VAL 69 Ca 0.14 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2hlu s VAL 69 Cb -0.20 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2hlu s VAL 69 CO -0.16 0.07 0.07 0.35 0.00 0.00 0.00 175.10 175.44 2hlu n THR 70 N 2.82 0.01 -3.48 3.92 -2.24 0.29 -4.94 114.28 110.66 2hlu n THR 70 Ca 0.09 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2hlu n THR 70 Cb 0.40 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.43 -0.50 -0.01 3.42 2.15 -1.01 -5.00 116.67 113.28 2hlu s ASP 71 Ca -0.01 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 52.83 2hlu s ASP 71 Cb 0.02 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 2hlu s ASP 71 CO 0.14 -0.98 0.09 -0.51 -0.17 0.00 0.00 175.17 173.74 2hlu s ILE 72 N -3.77 0.06 0.02 4.11 2.07 -1.26 -0.86 121.20 121.56 2hlu s ILE 72 Ca 0.02 -0.46 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 2hlu s ILE 72 Cb -0.01 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 2hlu s ILE 72 CO -0.11 -0.25 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.18 2hlu s SER 73 N -0.81 0.47 0.00 4.50 0.01 -0.23 -4.99 113.70 112.65 2hlu s SER 73 Ca -0.09 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2hlu s SER 73 Cb -0.05 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2hlu s SER 73 CO 0.00 -0.16 0.01 -0.69 0.41 0.00 0.00 173.24 172.82 2hlu s VAL 74 N -0.98 0.06 -0.01 3.43 1.01 -1.26 -0.94 120.40 121.70 2hlu s VAL 74 Ca -0.08 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2hlu s VAL 74 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 2hlu s VAL 74 CO -0.00 -0.26 -0.09 -0.89 0.00 0.00 0.00 175.10 173.86 2hlu s THR 75 N -0.78 0.72 0.01 3.92 2.01 0.04 -5.00 115.64 116.55 2hlu s THR 75 Ca -0.09 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2hlu s THR 75 Cb -0.05 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2hlu s THR 75 CO -0.00 0.21 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.28 2hlu s GLU 76 N -0.14 2.02 -0.10 4.92 2.02 -1.26 -0.92 118.70 125.24 2hlu s GLU 76 Ca 0.02 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 2hlu s GLU 76 Cb -0.04 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.17 2hlu s GLU 76 CO -0.00 0.55 0.25 -1.12 0.02 0.00 0.00 175.26 174.95 2hlu s SER 77 N -0.92 -0.26 -0.74 -0.19 0.01 -0.14 -4.98 113.70 106.47 2hlu s SER 77 Ca 0.11 0.52 -0.06 0.00 1.31 0.00 0.00 55.95 57.83 2hlu s SER 77 Cb -0.10 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 2hlu s SER 77 CO 0.01 -0.13 2.91 0.54 0.41 0.00 0.00 173.24 176.97 2hlu n ARG 78 N 3.72 3.05 -3.55 12.44 1.74 -1.26 -2.07 116.66 130.73 2hlu n ARG 78 Ca -0.20 -2.28 -0.29 0.00 -0.77 0.00 0.00 57.85 54.30 2hlu n ARG 78 Cb 0.55 -2.33 -0.14 0.00 -1.02 0.00 0.00 32.46 29.52 2hlu n ARG 78 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2hlu s SER 79 N 1.02 3.43 0.41 0.55 0.01 -1.26 -5.03 113.70 112.83 2hlu s SER 79 Ca 0.61 -1.71 -0.25 0.00 1.31 0.00 0.00 55.95 55.92 2hlu s SER 79 Cb 0.29 -0.48 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 2hlu s SER 79 CO -0.11 -0.38 1.14 -0.76 0.41 0.00 0.00 173.24 173.54 2hlu s LEU 80 N 1.59 4.16 0.27 2.44 2.01 -1.26 -4.67 118.68 123.22 2hlu s LEU 80 Ca 0.13 2.28 0.23 0.00 0.01 0.00 0.00 54.13 56.77 2hlu s LEU 80 Cb -0.19 -4.08 0.13 0.00 0.01 0.00 0.00 46.19 42.05 2hlu s LEU 80 CO -0.21 -0.68 1.23 -0.33 1.01 0.00 0.00 176.35 177.37 2hlu h GLU 81 N 2.53 0.00 -0.47 1.70 4.39 -1.96 -3.48 114.58 117.29 2hlu h GLU 81 Ca -0.49 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.01 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 0.62 0.00 -0.18 0.41 -1.16 0.00 0.00 179.01 178.70 2hlu n GLY 82 N 1.17 1.04 3.77 -3.84 0.00 -1.26 -4.99 105.19 101.08 2hlu n GLY 82 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.09 2.67 0.00 1.61 3.76 -1.26 -5.01 115.29 114.98 2hlu s HIS 83 Ca 0.00 1.32 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 2hlu s HIS 83 Cb 0.00 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.62 2hlu s HIS 83 CO 0.00 -1.87 0.71 1.58 -0.85 0.00 0.00 174.74 174.31 2hlu n HIS 84 N -3.53 0.00 -3.94 1.40 -0.00 -1.26 -4.88 115.22 103.01 2hlu n HIS 84 Ca 0.08 -0.21 -0.10 0.00 0.46 0.00 0.00 57.72 57.95 2hlu n HIS 84 Cb 0.55 -0.02 -0.07 0.00 -0.12 0.00 0.00 29.99 30.33 2hlu n HIS 84 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2hlu s ARG 85 N -0.42 1.18 0.14 1.57 1.70 -1.26 -5.00 118.95 116.87 2hlu s ARG 85 Ca 0.00 -1.15 -0.03 0.00 -0.47 0.00 0.00 55.73 54.08 2hlu s ARG 85 Cb 0.00 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 2hlu s ARG 85 CO 0.00 -0.44 0.35 0.12 -1.08 0.00 0.00 175.30 174.25 2hlu s PHE 86 N -3.96 3.48 0.10 5.89 5.36 -1.25 -1.33 117.98 126.27 2hlu s PHE 86 Ca 0.16 0.47 0.01 0.00 -0.96 0.00 0.00 56.93 56.61 2hlu s PHE 86 Cb 0.03 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2hlu s PHE 86 CO -0.00 0.45 -0.03 -1.12 -1.46 0.00 0.00 175.22 173.06 2hlu s SER 87 N -2.57 0.84 -0.10 6.13 0.01 -0.17 -4.90 113.70 112.94 2hlu s SER 87 Ca 0.40 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 2hlu s SER 87 Cb -0.12 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2hlu s SER 87 CO 0.26 -0.56 -0.05 -0.63 0.41 0.00 0.00 173.24 172.67 2hlu s ILE 88 N -3.78 3.82 0.07 1.44 1.01 -1.26 -1.16 121.20 121.35 2hlu s ILE 88 Ca 0.14 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.40 2hlu s ILE 88 Cb 0.07 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 2hlu s ILE 88 CO -0.04 0.56 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 2hlu s VAL 89 N -0.42 0.79 0.00 2.92 1.01 -0.15 -4.94 120.40 119.61 2hlu s VAL 89 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2hlu s VAL 89 Cb -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2hlu s VAL 89 CO 0.02 -0.43 0.58 -1.22 0.00 0.00 0.00 175.10 174.05 2hlu n TYR 90 N 1.05 0.00 0.00 5.22 4.01 -1.26 -3.75 117.16 122.43 2hlu n TYR 90 Ca -0.20 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2hlu n TYR 90 Cb 0.56 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83