#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 1.38 0.05 4.03 0.20 -0.08 -4.91 118.68 119.35 2hlu s LEU 2 Ca 0.00 -1.60 -0.18 0.00 0.69 0.00 0.00 54.13 53.04 2hlu s LEU 2 Cb 0.00 0.91 0.03 0.00 -0.43 0.00 0.00 46.19 46.71 2hlu s LEU 2 CO 0.00 -1.13 0.40 -1.58 -0.29 0.00 0.00 176.35 173.75 2hlu s GLN 3 N -3.38 0.92 0.18 1.98 0.74 -1.10 -1.52 119.66 117.48 2hlu s GLN 3 Ca 0.36 -0.39 -0.10 0.00 0.05 0.00 0.00 55.36 55.29 2hlu s GLN 3 Cb 0.02 0.41 -0.01 0.00 1.10 0.00 0.00 33.01 34.53 2hlu s GLN 3 CO 0.23 -0.31 0.32 1.52 -0.55 0.00 0.00 175.29 176.49 2hlu s TYR 4 N -2.53 0.41 -0.03 1.67 -0.85 -0.39 -1.21 117.35 114.42 2hlu s TYR 4 Ca -0.05 -0.77 0.05 0.00 -0.52 0.00 0.00 57.07 55.78 2hlu s TYR 4 Cb -0.01 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 2hlu s TYR 4 CO -0.03 -0.77 -0.16 0.50 -1.52 0.00 0.00 175.55 173.57 2hlu s ARG 5 N -3.98 2.40 -0.01 -3.49 3.52 -0.21 -1.57 118.95 115.61 2hlu s ARG 5 Ca 0.19 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2hlu s ARG 5 Cb 0.03 -2.31 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 2hlu s ARG 5 CO 0.02 0.60 -0.10 0.42 -0.81 0.00 0.00 175.30 175.43 2hlu s ILE 6 N -0.75 0.81 -0.01 4.11 1.01 0.19 -0.58 121.20 125.97 2hlu s ILE 6 Ca 0.12 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2hlu s ILE 6 Cb -0.11 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2hlu s ILE 6 CO 0.01 0.23 -0.21 -0.63 0.00 0.00 0.00 174.94 174.34 2hlu s ILE 7 N -0.23 2.51 -0.01 2.92 -1.09 -0.25 -0.64 121.20 124.42 2hlu s ILE 7 Ca 0.04 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 2hlu s ILE 7 Cb -0.04 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.88 2hlu s ILE 7 CO -0.00 0.52 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.49 2hlu s VAL 8 N -0.72 0.38 0.05 2.92 1.01 -0.28 -0.89 120.40 122.87 2hlu s VAL 8 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2hlu s VAL 8 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2hlu s VAL 8 CO 0.01 0.12 -0.07 -0.62 0.00 0.00 0.00 175.10 174.54 2hlu s ASP 9 N 0.01 0.82 0.00 3.32 2.15 -0.13 -1.49 116.67 121.35 2hlu s ASP 9 Ca 0.00 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2hlu s ASP 9 Cb -0.03 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2hlu s ASP 9 CO -0.00 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2hlu n GLY 10 N 1.01 0.69 3.58 2.66 0.00 -1.26 -0.76 105.19 111.11 2hlu n GLY 10 Ca -0.20 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.31 3.11 0.00 1.61 3.52 -0.12 -4.54 118.95 121.22 2hlu s ARG 11 Ca 0.00 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.27 2hlu s ARG 11 Cb 0.00 -5.33 0.00 0.00 -1.56 0.00 0.00 34.95 28.06 2hlu s ARG 11 CO 0.00 -3.15 0.71 1.33 -0.81 0.00 0.00 175.30 173.38 2hlu n VAL 12 N 7.25 0.45 -4.10 7.11 0.24 -1.26 -0.59 118.33 127.43 2hlu n VAL 12 Ca 0.44 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 2hlu n VAL 12 Cb 0.47 0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.45 0.62 -0.61 7.34 -0.21 -1.26 -4.54 119.66 120.55 2hlu s GLN 13 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.57 2hlu s GLN 13 Cb 0.00 -0.46 0.00 0.00 1.00 0.00 0.00 33.01 33.55 2hlu s GLN 13 CO 0.00 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 2hlu n GLY 14 N 1.42 0.82 0.61 3.09 0.00 -1.26 -4.90 105.19 104.97 2hlu n GLY 14 Ca -0.22 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.78 0.31 -1.03 1.61 0.24 -1.26 -5.01 118.33 110.41 2hlu n VAL 15 Ca -0.06 -0.56 -0.01 0.00 -2.04 0.00 0.00 64.34 61.68 2hlu n VAL 15 Cb 0.21 0.46 -0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.14 0.32 0.30 7.63 0.00 -1.26 -4.57 105.19 107.48 2hlu n GLY 16 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.80 -0.96 1.61 3.57 -1.95 -1.44 116.94 118.57 2hlu h PHE 17 Ca -0.02 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2hlu h PHE 17 Cb 0.56 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 2hlu h PHE 17 CO 0.34 0.66 0.62 0.00 -2.23 0.00 0.00 178.31 177.70 2hlu h ARG 18 N 0.77 1.18 -0.39 1.11 3.08 -1.90 -0.04 114.38 118.18 2hlu h ARG 18 Ca 0.18 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 2hlu h ARG 18 Cb 0.24 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2hlu h ARG 18 CO -0.01 0.78 -0.33 1.88 -1.07 0.00 0.00 179.97 181.22 2hlu h TYR 19 N 1.21 1.06 0.13 3.04 0.05 -1.70 -0.52 116.97 120.24 2hlu h TYR 19 Ca 0.38 -0.29 0.01 0.00 0.05 0.00 0.00 58.73 58.87 2hlu h TYR 19 Cb -0.01 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 2hlu h TYR 19 CO -0.01 1.10 -0.17 0.35 -1.05 0.00 0.00 178.16 178.38 2hlu h PHE 20 N 0.75 -0.44 -0.90 4.88 3.57 -0.52 -1.07 116.94 123.20 2hlu h PHE 20 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2hlu h PHE 20 Cb 0.91 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 2hlu h PHE 20 CO 0.05 -0.25 0.59 0.28 -2.23 0.00 0.00 178.31 176.75 2hlu h VAL 21 N -0.34 1.16 -0.16 1.41 2.07 -0.97 -0.95 116.25 118.47 2hlu h VAL 21 Ca 0.01 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2hlu h VAL 21 Cb 0.34 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2hlu h VAL 21 CO -0.07 0.21 -0.04 -0.61 0.02 0.00 0.00 177.57 177.08 2hlu h GLN 22 N 1.14 0.01 -0.17 1.57 5.75 -0.58 -0.64 115.11 122.19 2hlu h GLN 22 Ca 0.36 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.68 2hlu h GLN 22 Cb -0.01 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 2hlu h GLN 22 CO -0.11 0.00 -0.63 0.52 -2.65 0.00 0.00 178.83 175.96 2hlu h MET 23 N 0.01 0.61 0.00 1.69 2.86 -0.72 -1.09 114.93 118.29 2hlu h MET 23 Ca 0.08 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 2hlu h MET 23 Cb 0.11 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2hlu h MET 23 CO -0.16 1.05 -0.47 0.93 1.06 0.00 0.00 176.91 179.32 2hlu h GLU 24 N 0.45 0.00 -0.15 1.72 4.39 -1.05 -0.43 114.58 119.51 2hlu h GLU 24 Ca -0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2hlu h GLU 24 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2hlu h GLU 24 CO 0.12 0.47 -0.31 0.00 -1.16 0.00 0.00 179.01 178.13 2hlu h ALA 25 N 1.53 0.25 -0.43 3.43 0.00 -0.93 -3.23 119.26 119.88 2hlu h ALA 25 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2hlu h ALA 25 Cb 0.94 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2hlu h ALA 25 CO 0.06 0.27 0.09 0.22 0.00 0.00 0.00 179.25 179.90 2hlu h ASP 26 N 0.10 0.66 0.09 0.00 3.58 -0.93 -1.13 116.42 118.79 2hlu h ASP 26 Ca 0.01 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2hlu h ASP 26 Cb 0.90 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 2hlu h ASP 26 CO 0.07 0.73 -0.03 0.07 -2.88 0.00 0.00 179.24 177.19 2hlu h LYS 27 N 0.56 0.00 -0.51 0.28 5.09 -1.20 -0.74 116.57 120.05 2hlu h LYS 27 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 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 0.00 0.03 0.00 -2.13 -2.09 0.00 0.00 179.45 175.27 2hlu n ARG 28 N -3.80 2.58 -3.16 0.07 3.00 -0.82 -4.97 116.66 109.56 2hlu n ARG 28 Ca -0.03 -2.42 -0.20 0.00 -0.00 0.00 0.00 57.85 55.21 2hlu n ARG 28 Cb 0.12 -1.54 -0.01 0.00 0.00 0.00 0.00 32.46 31.04 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 1.56 -3.02 -1.47 -0.14 5.02 -0.28 -4.98 118.16 114.84 2hlu n LYS 29 Ca 0.21 0.44 -0.30 0.00 -2.02 0.00 0.00 58.31 56.64 2hlu n LYS 29 Cb 0.61 -5.10 0.11 0.00 -0.02 0.00 0.00 35.03 30.63 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 -6.22 2.44 0.06 -0.35 1.43 -0.60 -5.02 118.68 110.42 2hlu s LEU 30 Ca 0.31 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2hlu s LEU 30 Cb -0.16 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 2hlu s LEU 30 CO 0.38 -2.20 -0.16 0.00 0.23 0.00 0.00 176.35 174.59 2hlu s ALA 31 N -3.12 1.35 0.00 4.21 0.00 -1.03 -3.78 121.76 119.39 2hlu s ALA 31 Ca 0.62 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2hlu s ALA 31 Cb -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2hlu s ALA 31 CO 0.55 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.97 2hlu n GLY 32 N 1.64 0.54 3.26 0.00 0.00 -0.83 -0.92 105.19 108.88 2hlu n GLY 32 Ca -0.19 -1.58 -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 -3.36 0.78 0.00 1.61 -2.14 0.03 -1.01 118.94 114.86 2hlu s TRP 33 Ca 0.00 -1.10 0.02 0.00 2.66 0.00 0.00 56.10 57.68 2hlu s TRP 33 Cb 0.00 -0.32 -0.01 0.00 -3.10 0.00 0.00 33.47 30.04 2hlu s TRP 33 CO 0.00 -0.66 -0.06 0.54 -2.66 0.00 0.00 176.95 174.11 2hlu s VAL 34 N -4.06 0.46 0.26 -0.66 0.11 -0.41 -1.31 120.40 114.79 2hlu s VAL 34 Ca 0.27 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 2hlu s VAL 34 Cb 0.05 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2hlu s VAL 34 CO 0.05 0.05 0.52 -1.59 -3.33 0.00 0.00 175.10 170.80 2hlu s LYS 35 N -0.34 1.62 0.78 1.54 -2.85 0.07 -0.93 119.74 119.64 2hlu s LYS 35 Ca 0.00 -1.26 -0.12 0.00 -1.00 0.00 0.00 55.97 53.59 2hlu s LYS 35 Cb -0.03 0.49 0.07 0.00 -2.06 0.00 0.00 37.83 36.30 2hlu s LYS 35 CO -0.00 -0.69 1.15 1.21 0.10 0.00 0.00 175.35 177.12 2hlu s ASN 36 N -3.02 4.04 -0.06 0.03 3.84 -1.26 -0.84 114.94 117.66 2hlu s ASN 36 Ca 0.21 2.12 0.04 0.00 0.21 0.00 0.00 52.86 55.44 2hlu s ASN 36 Cb -0.01 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2hlu s ASN 36 CO 0.10 -2.36 -0.18 -0.60 -2.79 0.00 0.00 177.10 171.26 2hlu s ARG 37 N -4.40 2.12 0.57 0.43 3.52 0.06 -4.58 118.95 116.66 2hlu s ARG 37 Ca 0.68 -0.66 0.29 0.00 -0.13 0.00 0.00 55.73 55.91 2hlu s ARG 37 Cb -0.23 -1.75 1.71 0.00 -1.56 0.00 0.00 34.95 33.12 2hlu s ARG 37 CO 0.51 0.20 2.21 0.22 -0.81 0.00 0.00 175.30 177.63 2hlu h ASP 38 N 6.48 0.00 0.14 -2.12 3.58 -1.98 -0.13 116.42 122.39 2hlu h ASP 38 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2hlu h ASP 38 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2hlu h ASP 38 CO 0.47 0.03 0.00 -0.78 -2.88 0.00 0.00 179.24 176.09 2hlu h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.04 -3.45 116.42 116.80 2hlu h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hlu h ASP 39 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2hlu h ASP 39 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2hlu n GLY 40 N -0.93 1.94 3.55 -0.78 0.00 -0.14 -5.15 105.19 103.68 2hlu n GLY 40 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 0.67 -4.22 1.61 5.12 -0.74 -4.87 116.66 114.23 2hlu n ARG 41 Ca 0.00 -3.63 -0.31 0.00 -1.93 0.00 0.00 57.85 51.97 2hlu n ARG 41 Cb 0.00 1.42 -0.09 0.00 -1.16 0.00 0.00 32.46 32.64 2hlu n ARG 41 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hlu s VAL 42 N -2.97 4.03 -0.03 1.55 1.01 -0.56 -0.76 120.40 122.67 2hlu s VAL 42 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2hlu s VAL 42 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2hlu s VAL 42 CO 0.07 0.25 -0.06 -0.70 0.00 0.00 0.00 175.10 174.65 2hlu s GLU 43 N -1.92 0.80 0.04 2.72 2.12 -0.02 -1.12 118.70 121.32 2hlu s GLU 43 Ca 0.22 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.40 2hlu s GLU 43 Cb -0.12 -0.78 -0.02 0.00 0.26 0.00 0.00 34.13 33.48 2hlu s GLU 43 CO 0.14 0.04 -0.13 0.42 -0.54 0.00 0.00 175.26 175.19 2hlu s ILE 44 N 0.41 1.03 -0.07 -3.70 1.01 0.19 -0.75 121.20 119.32 2hlu s ILE 44 Ca -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2hlu s ILE 44 Cb -0.10 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.46 2hlu s ILE 44 CO 0.00 -0.06 0.15 -0.22 0.00 0.00 0.00 174.94 174.82 2hlu s LEU 45 N -1.22 0.63 0.03 2.97 0.20 -0.42 -0.64 118.68 120.23 2hlu s LEU 45 Ca 0.00 0.32 -0.02 0.00 0.69 0.00 0.00 54.13 55.11 2hlu s LEU 45 Cb -0.08 0.38 -0.02 0.00 -0.43 0.00 0.00 46.19 46.03 2hlu s LEU 45 CO 0.01 -0.16 0.02 0.00 -0.29 0.00 0.00 176.35 175.93 2hlu s ALA 46 N 1.27 0.15 -0.02 5.97 0.00 -0.61 -0.79 121.76 127.74 2hlu s ALA 46 Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2hlu s ALA 46 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2hlu s ALA 46 CO -0.06 -0.27 0.07 -2.00 0.00 0.00 0.00 175.76 173.50 2hlu s GLU 47 N -2.49 0.12 0.00 0.00 -6.30 -0.10 -1.26 118.70 108.67 2hlu s GLU 47 Ca -0.06 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.44 2hlu s GLU 47 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 34.13 34.16 2hlu s GLU 47 CO -0.04 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2hlu n GLY 48 N 2.86 -1.27 3.62 -1.50 0.00 -0.57 -2.45 105.19 105.87 2hlu n GLY 48 Ca -0.14 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 1.24 -0.17 1.61 -0.02 -1.26 -0.90 135.00 135.50 2hlu n PRO 49 Ca 0.00 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.87 2hlu n PRO 49 Cb 0.00 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 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 1.18 0.65 -0.52 -0.52 4.81 -1.91 -0.82 114.58 117.44 2hlu h GLU 50 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2hlu h GLU 50 Cb 1.34 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2hlu h GLU 50 CO 0.55 0.43 0.23 -0.97 -0.73 0.00 0.00 179.01 178.51 2hlu h ASN 51 N 0.67 0.70 -0.42 1.04 -0.73 -1.99 0.32 115.58 115.17 2hlu h ASN 51 Ca 0.19 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.21 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 -0.05 0.66 0.28 0.00 -0.37 0.00 0.00 177.43 177.95 2hlu h ALA 52 N 1.07 0.53 -0.77 1.57 0.00 -1.88 -1.76 119.26 118.03 2hlu h ALA 52 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2hlu h ALA 52 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2hlu h ALA 52 CO -0.02 -0.01 0.31 -0.07 0.00 0.00 0.00 179.25 179.46 2hlu h LEU 53 N 0.57 1.05 -0.24 0.00 3.38 -0.71 -1.08 115.31 118.27 2hlu h LEU 53 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hlu h LEU 53 Cb -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2hlu h LEU 53 CO -0.03 0.93 0.09 1.56 0.09 0.00 0.00 178.44 181.08 2hlu h GLN 54 N 1.11 0.37 -0.75 1.13 1.08 -0.63 -0.12 115.11 117.31 2hlu h GLN 54 Ca 0.26 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 2hlu h GLN 54 Cb 0.21 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 2hlu h GLN 54 CO -0.02 0.43 0.49 0.77 -0.95 0.00 0.00 178.83 179.54 2hlu h SER 55 N 0.24 0.70 0.28 1.46 0.02 -1.15 -1.44 113.55 113.66 2hlu h SER 55 Ca 0.08 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 2hlu h SER 55 Cb 0.20 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2hlu h SER 55 CO -0.01 0.45 -0.51 0.15 -1.14 0.00 0.00 176.83 175.78 2hlu h PHE 56 N 0.79 0.32 -0.42 3.45 3.57 -0.54 -0.67 116.94 123.44 2hlu h PHE 56 Ca 0.32 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2hlu h PHE 56 Cb 0.24 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2hlu h PHE 56 CO -0.00 0.72 0.22 0.28 -2.23 0.00 0.00 178.31 177.30 2hlu h VAL 57 N 0.21 1.17 -0.42 1.41 2.07 -0.09 0.44 116.25 121.02 2hlu h VAL 57 Ca 0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hlu h VAL 57 Cb 0.97 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2hlu h VAL 57 CO 0.08 0.18 0.23 -0.33 0.02 0.00 0.00 177.57 177.75 2hlu h GLU 58 N 0.55 0.58 0.20 1.57 5.08 -0.80 0.49 114.58 122.25 2hlu h GLU 58 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2hlu h GLU 58 Cb 0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hlu h GLU 58 CO -0.02 0.42 -0.10 0.00 -1.00 0.00 0.00 179.01 178.32 2hlu h ALA 59 N 1.67 -0.27 -0.59 3.43 0.00 -0.86 -3.33 119.26 119.32 2hlu h ALA 59 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hlu h ALA 59 Cb 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2hlu h ALA 59 CO -0.03 -0.46 0.34 0.28 0.00 0.00 0.00 179.25 179.39 2hlu h VAL 60 N -0.65 1.18 0.00 0.00 2.07 -0.23 -2.58 116.25 116.04 2hlu h VAL 60 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2hlu h VAL 60 Cb 0.47 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2hlu h VAL 60 CO 0.05 0.19 0.00 0.07 0.02 0.00 0.00 177.57 177.90 2hlu h LYS 61 N 0.80 0.00 0.00 1.57 2.10 -1.06 -0.62 116.57 119.36 2hlu h LYS 61 Ca 0.21 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 2hlu h LYS 61 Cb 0.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2hlu h LYS 61 CO -0.04 0.00 -0.16 -0.97 -2.00 0.00 0.00 179.45 176.28 2hlu h ASN 62 N 0.00 0.00 -2.44 7.07 -0.73 -1.57 -3.45 115.58 114.46 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 0.20 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 2hlu h ASN 62 CO 0.00 0.16 -0.00 0.61 -0.37 0.00 0.00 177.43 177.83 2hlu n GLY 63 N -0.11 -1.49 3.74 1.57 0.00 -0.24 -4.63 105.19 104.03 2hlu n GLY 63 Ca -0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 3.99 0.60 1.61 1.04 -1.26 -4.85 113.70 110.82 2hlu s SER 64 Ca 0.00 1.66 0.29 0.00 0.48 0.00 0.00 55.95 58.37 2hlu s SER 64 Cb 0.00 -2.34 1.31 0.00 0.10 0.00 0.00 66.02 65.09 2hlu s SER 64 CO 0.00 -2.34 1.70 -0.65 0.98 0.00 0.00 173.24 172.93 2hlu h PRO 65 N -1.34 0.00 0.00 4.02 0.11 -1.91 -0.61 132.00 132.28 2hlu h PRO 65 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hlu h PRO 65 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2hlu h PRO 65 CO 0.53 0.00 -1.02 1.19 -0.21 0.00 0.00 178.00 178.49 2hlu n PHE 66 N -3.54 0.80 -1.42 0.65 3.72 -1.26 -4.96 117.46 111.44 2hlu n PHE 66 Ca 0.13 0.23 -0.29 0.00 -0.05 0.00 0.00 57.45 57.48 2hlu n PHE 66 Cb 0.96 -0.85 0.16 0.00 -0.94 0.00 0.00 39.48 38.81 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 -5.03 3.06 -0.31 4.37 0.01 -0.24 -4.96 113.70 110.60 2hlu s SER 67 Ca 0.00 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.20 2hlu s SER 67 Cb 0.11 -1.52 0.11 0.00 0.21 0.00 0.00 66.02 64.93 2hlu s SER 67 CO 0.79 -2.83 0.14 -0.75 0.41 0.00 0.00 173.24 171.00 2hlu s LYS 68 N -5.23 0.41 0.27 12.44 2.20 0.24 -4.85 119.74 125.23 2hlu s LYS 68 Ca 0.65 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 2hlu s LYS 68 Cb -0.15 -1.42 -0.10 0.00 -1.51 0.00 0.00 37.83 34.65 2hlu s LYS 68 CO 0.55 -1.05 1.48 0.08 -0.36 0.00 0.00 175.35 176.05 2hlu s VAL 69 N 1.75 2.46 -0.01 4.02 1.01 -1.26 -0.94 120.40 127.43 2hlu s VAL 69 Ca 0.11 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2hlu s VAL 69 Cb -0.18 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2hlu s VAL 69 CO -0.27 0.07 0.02 0.35 0.00 0.00 0.00 175.10 175.27 2hlu n THR 70 N 2.14 0.00 -3.60 3.92 -2.24 0.06 -4.94 114.28 109.62 2hlu n THR 70 Ca 0.07 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 2hlu n THR 70 Cb 0.39 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.97 -0.42 -0.03 3.42 2.15 -1.06 -4.99 116.67 113.76 2hlu s ASP 71 Ca -0.00 0.22 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 2hlu s ASP 71 Cb 0.01 0.47 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 2hlu s ASP 71 CO 0.03 -0.66 0.24 -0.51 -0.17 0.00 0.00 175.17 174.10 2hlu s ILE 72 N -2.13 0.05 0.02 4.11 2.07 -1.26 -0.95 121.20 123.10 2hlu s ILE 72 Ca -0.07 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.76 2hlu s ILE 72 Cb -0.01 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 2hlu s ILE 72 CO 0.01 -0.23 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.33 2hlu s SER 73 N -0.95 0.34 0.01 4.50 0.01 -0.07 -5.00 113.70 112.55 2hlu s SER 73 Ca -0.10 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2hlu s SER 73 Cb -0.05 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 2hlu s SER 73 CO 0.02 -0.16 -0.05 -0.69 0.41 0.00 0.00 173.24 172.77 2hlu s VAL 74 N -0.92 0.38 -0.36 3.43 1.01 -1.26 -1.08 120.40 121.60 2hlu s VAL 74 Ca -0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2hlu s VAL 74 Cb -0.07 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.08 2hlu s VAL 74 CO -0.00 -0.02 0.19 -0.89 0.00 0.00 0.00 175.10 174.38 2hlu s THR 75 N -0.41 0.48 0.35 3.92 2.01 0.25 -5.00 115.64 117.24 2hlu s THR 75 Ca -0.01 -1.71 -0.28 0.00 0.31 0.00 0.00 61.69 59.99 2hlu s THR 75 Cb -0.04 -1.36 -0.11 0.00 0.01 0.00 0.00 72.50 71.01 2hlu s THR 75 CO -0.00 -0.89 1.41 -1.61 -0.69 0.00 0.00 174.62 172.84 2hlu s GLU 76 N 1.14 4.23 0.16 4.92 2.02 -1.26 -1.04 118.70 128.87 2hlu s GLU 76 Ca 0.15 2.40 -0.07 0.00 0.02 0.00 0.00 54.97 57.48 2hlu s GLU 76 Cb -0.22 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 2hlu s GLU 76 CO -0.08 -0.37 0.23 -1.12 0.02 0.00 0.00 175.26 173.93 2hlu s SER 77 N -0.26 0.11 0.00 -0.19 0.01 -0.35 -4.93 113.70 108.08 2hlu s SER 77 Ca 0.51 -1.00 0.05 0.00 1.31 0.00 0.00 55.95 56.82 2hlu s SER 77 Cb -0.43 0.41 0.07 0.00 0.21 0.00 0.00 66.02 66.28 2hlu s SER 77 CO 0.57 -0.87 0.94 -1.14 0.41 0.00 0.00 173.24 173.15 2hlu n ARG 78 N -0.20 0.00 -1.94 12.44 0.63 -1.26 -2.72 116.66 123.61 2hlu n ARG 78 Ca -0.06 -0.99 -0.41 0.00 -0.92 0.00 0.00 57.85 55.48 2hlu n ARG 78 Cb 0.63 -0.27 -0.01 0.00 0.45 0.00 0.00 32.46 33.27 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 0.09 7.27 -4.59 6.15 7.64 -1.26 -4.99 113.62 123.93 2hlu n SER 79 Ca -0.00 -3.02 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2hlu n SER 79 Cb 0.74 -1.44 0.01 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.76 2.36 -0.12 -3.43 4.77 -1.26 -4.90 117.00 117.18 2hlu n LEU 80 Ca 0.59 1.00 -0.02 0.00 -0.03 0.00 0.00 56.01 57.56 2hlu n LEU 80 Cb 0.28 -1.32 0.22 0.00 -2.33 0.00 0.00 43.42 40.26 2hlu n LEU 80 CO 0.76 -1.69 1.01 -0.33 -1.33 0.00 0.00 177.39 175.80 2hlu h GLU 81 N 1.36 0.80 -0.15 3.23 4.39 -1.94 -3.46 114.58 118.81 2hlu h GLU 81 Ca -0.44 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.05 2hlu h GLU 81 Cb 1.35 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2hlu h GLU 81 CO 0.56 0.70 -0.06 0.41 -1.16 0.00 0.00 179.01 179.46 2hlu n GLY 82 N -0.95 0.37 3.83 -3.84 0.00 -1.26 -4.99 105.19 98.35 2hlu n GLY 82 Ca 0.04 -0.03 -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 -1.41 2.83 -0.00 1.61 3.76 -1.26 -5.03 115.29 115.79 2hlu s HIS 83 Ca 0.00 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 2hlu s HIS 83 Cb 0.00 -3.26 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2hlu s HIS 83 CO 0.00 -1.86 0.80 0.72 -0.85 0.00 0.00 174.74 173.55 2hlu n HIS 84 N -3.45 0.00 -3.99 1.40 8.25 -1.26 -4.88 115.22 111.29 2hlu n HIS 84 Ca 0.07 -0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.13 2hlu n HIS 84 Cb 0.58 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.62 1.21 0.12 -0.41 1.70 -1.26 -4.98 118.95 114.70 2hlu s ARG 85 Ca 0.01 -1.23 0.02 0.00 -0.47 0.00 0.00 55.73 54.05 2hlu s ARG 85 Cb 0.00 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2hlu s ARG 85 CO 0.00 -0.44 0.26 0.12 -1.08 0.00 0.00 175.30 174.16 2hlu s PHE 86 N -3.99 3.49 0.02 5.89 5.36 -1.25 -1.97 117.98 125.54 2hlu s PHE 86 Ca 0.20 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.33 2hlu s PHE 86 Cb 0.03 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 41.00 2hlu s PHE 86 CO 0.02 0.54 -0.04 -1.12 -1.46 0.00 0.00 175.22 173.16 2hlu s SER 87 N -3.04 0.37 -0.10 6.13 0.01 -0.18 -4.90 113.70 112.00 2hlu s SER 87 Ca 0.35 -0.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 2hlu s SER 87 Cb -0.12 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2hlu s SER 87 CO 0.28 -0.24 0.52 -0.63 0.41 0.00 0.00 173.24 173.58 2hlu s ILE 88 N -1.26 5.14 0.11 1.44 1.01 -1.26 -1.29 121.20 125.09 2hlu s ILE 88 Ca -0.13 1.05 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2hlu s ILE 88 Cb -0.09 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2hlu s ILE 88 CO -0.01 0.33 -0.11 -0.69 0.00 0.00 0.00 174.94 174.47 2hlu s VAL 89 N 0.54 1.04 0.00 2.92 1.01 -0.10 -4.94 120.40 120.87 2hlu s VAL 89 Ca 0.28 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2hlu s VAL 89 Cb -0.16 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2hlu s VAL 89 CO 0.12 -0.57 0.10 0.00 0.00 0.00 0.00 175.10 174.75 2hlu n TYR 90 N 0.41 0.00 0.00 5.22 0.18 -1.26 -4.13 117.16 117.58 2hlu n TYR 90 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2hlu n TYR 90 Cb 0.58 0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21