#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlu n LEU 2 N 0.00 0.00 -3.78 4.03 4.77 -0.23 -4.96 117.00 116.84 2hlu n LEU 2 Ca 0.00 -3.17 -0.11 0.00 -0.03 0.00 0.00 56.01 52.71 2hlu n LEU 2 Cb 0.00 1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 42.57 2hlu n LEU 2 CO 0.00 -0.52 -0.00 -1.58 -1.33 0.00 0.00 177.39 173.96 2hlu s GLN 3 N -3.40 0.82 0.21 3.23 0.74 -1.10 -1.39 119.66 118.77 2hlu s GLN 3 Ca 0.36 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 55.06 2hlu s GLN 3 Cb 0.02 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 2hlu s GLN 3 CO 0.26 -0.27 0.32 1.52 -0.55 0.00 0.00 175.29 176.57 2hlu s TYR 4 N -2.95 0.64 -0.02 1.67 -0.85 -0.47 -1.36 117.35 114.02 2hlu s TYR 4 Ca -0.02 -0.96 0.07 0.00 -0.52 0.00 0.00 57.07 55.64 2hlu s TYR 4 Cb 0.01 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.21 2hlu s TYR 4 CO -0.06 -0.82 -0.22 0.50 -1.52 0.00 0.00 175.55 173.43 2hlu s ARG 5 N -4.06 1.80 -0.01 -3.49 3.52 0.03 -1.90 118.95 114.84 2hlu s ARG 5 Ca 0.27 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 2hlu s ARG 5 Cb 0.03 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 2hlu s ARG 5 CO 0.08 0.48 -0.10 0.42 -0.81 0.00 0.00 175.30 175.37 2hlu s ILE 6 N -0.53 0.77 -0.04 4.11 1.01 0.44 -0.53 121.20 126.42 2hlu s ILE 6 Ca 0.09 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2hlu s ILE 6 Cb -0.09 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 2hlu s ILE 6 CO -0.01 0.22 -0.24 -0.63 0.00 0.00 0.00 174.94 174.28 2hlu s ILE 7 N -0.23 2.19 -0.01 2.92 -1.09 -0.17 -0.75 121.20 124.06 2hlu s ILE 7 Ca 0.04 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 2hlu s ILE 7 Cb -0.04 -1.79 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 2hlu s ILE 7 CO -0.00 0.58 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.49 2hlu s VAL 8 N -0.42 0.85 0.06 2.92 1.01 -0.16 -0.83 120.40 123.83 2hlu s VAL 8 Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2hlu s VAL 8 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2hlu s VAL 8 CO 0.01 0.25 -0.09 -0.62 0.00 0.00 0.00 175.10 174.64 2hlu s ASP 9 N -0.18 1.14 0.00 3.32 2.15 -0.16 -0.97 116.67 121.97 2hlu s ASP 9 Ca 0.03 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.37 2hlu s ASP 9 Cb -0.05 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 2hlu s ASP 9 CO -0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2hlu n GLY 10 N 1.16 0.65 3.57 2.66 0.00 -1.26 -0.78 105.19 111.19 2hlu n GLY 10 Ca -0.21 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2hlu n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hlu s ARG 11 N -1.08 3.02 0.00 1.61 3.52 -0.12 -4.51 118.95 121.40 2hlu s ARG 11 Ca 0.00 -1.07 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 2hlu s ARG 11 Cb 0.00 -5.27 0.00 0.00 -1.56 0.00 0.00 34.95 28.12 2hlu s ARG 11 CO 0.00 -3.12 0.00 1.33 -0.81 0.00 0.00 175.30 172.70 2hlu n VAL 12 N 7.37 0.00 0.06 7.11 0.24 -1.26 -1.07 118.33 130.78 2hlu n VAL 12 Ca 0.42 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.62 2hlu n VAL 12 Cb 0.47 0.32 -0.13 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.05 -0.40 7.34 4.20 -1.90 -3.40 115.11 121.00 2hlu h GLN 13 Ca 0.00 -0.08 -0.29 0.00 0.06 0.00 0.00 58.65 58.33 2hlu h GLN 13 Cb 0.00 0.03 -0.36 0.00 0.30 0.00 0.00 27.48 27.45 2hlu h GLN 13 CO 0.00 1.00 -0.95 0.41 -0.67 0.00 0.00 178.83 178.62 2hlu n GLY 14 N 1.40 3.42 1.44 3.46 0.00 -1.26 -4.78 105.19 108.88 2hlu n GLY 14 Ca -0.03 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.51 0.54 -0.11 1.61 0.24 -1.26 -4.98 118.33 113.85 2hlu n VAL 15 Ca 0.19 -1.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2hlu n VAL 15 Cb 0.90 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 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 0.11 2.60 0.33 7.63 0.00 -1.26 -4.52 105.19 110.08 2hlu n GLY 16 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.90 -0.90 1.61 3.57 -1.88 -0.61 116.94 119.63 2hlu h PHE 17 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2hlu h PHE 17 Cb 0.00 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.40 2hlu h PHE 17 CO 0.00 0.64 0.59 0.00 -2.23 0.00 0.00 178.31 177.30 2hlu h ARG 18 N 0.92 1.02 0.04 1.11 3.08 -1.88 0.67 114.38 119.34 2hlu h ARG 18 Ca 0.23 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.97 2hlu h ARG 18 Cb 0.05 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 29.88 2hlu h ARG 18 CO -0.04 0.68 -1.04 1.88 -1.07 0.00 0.00 179.97 180.38 2hlu h TYR 19 N 1.05 0.66 -0.10 3.04 0.05 -1.64 -1.80 116.97 118.23 2hlu h TYR 19 Ca 0.38 -0.39 0.04 0.00 0.05 0.00 0.00 58.73 58.80 2hlu h TYR 19 Cb 0.14 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 2hlu h TYR 19 CO -0.00 1.23 -0.14 0.35 -1.05 0.00 0.00 178.16 178.55 2hlu h PHE 20 N 0.22 -0.35 -0.93 4.88 3.57 -0.31 -1.24 116.94 122.78 2hlu h PHE 20 Ca -0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 2hlu h PHE 20 Cb 1.70 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.57 2hlu h PHE 20 CO 0.07 -0.21 0.57 0.28 -2.23 0.00 0.00 178.31 176.79 2hlu h VAL 21 N -0.18 1.25 -0.22 1.41 2.07 -0.91 -0.06 116.25 119.60 2hlu h VAL 21 Ca 0.08 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2hlu h VAL 21 Cb 0.30 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2hlu h VAL 21 CO -0.21 0.26 -0.01 -0.61 0.02 0.00 0.00 177.57 177.01 2hlu h GLN 22 N 1.28 0.05 -0.10 1.57 5.75 -0.62 0.02 115.11 123.05 2hlu h GLN 22 Ca 0.33 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.66 2hlu h GLN 22 Cb -0.07 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2hlu h GLN 22 CO -0.06 0.03 -0.67 0.52 -2.65 0.00 0.00 178.83 176.00 2hlu h MET 23 N 0.05 0.42 0.00 1.69 2.86 -0.91 -1.47 114.93 117.58 2hlu h MET 23 Ca 0.10 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 2hlu h MET 23 Cb 0.14 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2hlu h MET 23 CO -0.19 0.94 -0.28 0.93 1.06 0.00 0.00 176.91 179.37 2hlu h GLU 24 N 0.30 0.00 -0.01 1.72 4.39 -0.70 -0.24 114.58 120.04 2hlu h GLU 24 Ca -0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2hlu h GLU 24 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2hlu h GLU 24 CO 0.12 0.28 -0.23 0.00 -1.16 0.00 0.00 179.01 178.02 2hlu h ALA 25 N 1.72 0.04 -0.83 3.43 0.00 -0.86 -3.36 119.26 119.40 2hlu h ALA 25 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2hlu h ALA 25 Cb 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2hlu h ALA 25 CO 0.04 0.07 0.55 0.22 0.00 0.00 0.00 179.25 180.13 2hlu h ASP 26 N -0.49 0.93 0.12 0.00 3.58 -0.94 -1.12 116.42 118.50 2hlu h ASP 26 Ca -0.03 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2hlu h ASP 26 Cb 0.97 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2hlu h ASP 26 CO 0.05 0.67 0.00 2.29 -2.88 0.00 0.00 179.24 179.36 2hlu n LYS 27 N -4.42 0.40 0.00 0.28 -0.00 -0.13 -0.87 118.16 113.42 2hlu n LYS 27 Ca 0.10 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2hlu n LYS 27 Cb 0.05 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 2hlu n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hlu n ARG 28 N -1.11 2.18 -3.60 -1.58 1.74 -0.53 -5.01 116.66 108.75 2hlu n ARG 28 Ca 0.10 -1.26 -0.26 0.00 -0.77 0.00 0.00 57.85 55.66 2hlu n ARG 28 Cb 0.08 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hlu n LYS 29 N -0.39 -2.82 -1.22 5.56 5.02 -0.05 -4.98 118.16 119.29 2hlu n LYS 29 Ca 0.00 0.34 -0.30 0.00 -2.02 0.00 0.00 58.31 56.32 2hlu n LYS 29 Cb 0.23 -5.00 0.12 0.00 -0.02 0.00 0.00 35.03 30.36 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 -6.55 2.57 -0.01 -0.35 1.43 -0.56 -4.96 118.68 110.25 2hlu s LEU 30 Ca 0.48 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 55.17 2hlu s LEU 30 Cb -0.26 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2hlu s LEU 30 CO 0.59 -2.41 0.10 0.00 0.23 0.00 0.00 176.35 174.86 2hlu s ALA 31 N -2.92 -0.23 0.00 4.21 0.00 -1.18 -4.17 121.76 117.48 2hlu s ALA 31 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2hlu s ALA 31 Cb -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2hlu s ALA 31 CO 0.57 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2hlu n GLY 32 N 2.13 0.67 3.21 0.00 0.00 -0.48 -1.22 105.19 109.51 2hlu n GLY 32 Ca -0.19 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.64 0.90 0.02 1.61 -2.14 -0.02 -1.20 118.94 114.46 2hlu s TRP 33 Ca 0.00 -1.21 0.03 0.00 2.66 0.00 0.00 56.10 57.58 2hlu s TRP 33 Cb 0.00 -0.43 -0.01 0.00 -3.10 0.00 0.00 33.47 29.92 2hlu s TRP 33 CO 0.00 -0.61 -0.10 0.54 -2.66 0.00 0.00 176.95 174.12 2hlu s VAL 34 N -4.08 0.79 0.08 -0.66 0.11 -0.25 -1.27 120.40 115.12 2hlu s VAL 34 Ca 0.29 -0.69 -0.17 0.00 -2.93 0.00 0.00 61.98 58.48 2hlu s VAL 34 Cb 0.06 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2hlu s VAL 34 CO 0.06 0.04 0.39 -1.59 -3.33 0.00 0.00 175.10 170.67 2hlu s LYS 35 N -0.73 0.97 0.76 1.54 -2.85 -0.02 -1.07 119.74 118.34 2hlu s LYS 35 Ca 0.01 -0.52 -0.11 0.00 -1.00 0.00 0.00 55.97 54.35 2hlu s LYS 35 Cb -0.06 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.19 2hlu s LYS 35 CO 0.00 -0.35 1.08 0.54 0.10 0.00 0.00 175.35 176.73 2hlu s ASN 36 N -2.34 4.67 -0.07 0.03 2.20 -1.25 -0.73 114.94 117.45 2hlu s ASN 36 Ca -0.02 1.75 0.05 0.00 -0.94 0.00 0.00 52.86 53.70 2hlu s ASN 36 Cb 0.00 -2.49 -0.01 0.00 -2.00 0.00 0.00 41.25 36.76 2hlu s ASN 36 CO -0.06 -1.92 -0.24 -0.13 -2.94 0.00 0.00 177.10 171.80 2hlu s ARG 37 N -4.95 2.73 0.59 3.55 0.52 0.10 -4.47 118.95 117.01 2hlu s ARG 37 Ca 0.60 -0.89 0.30 0.00 -0.52 0.00 0.00 55.73 55.23 2hlu s ARG 37 Cb -0.16 -2.20 1.81 0.00 0.52 0.00 0.00 34.95 34.92 2hlu s ARG 37 CO 0.56 0.30 2.24 0.22 0.02 0.00 0.00 175.30 178.64 2hlu h ASP 38 N 6.33 0.00 0.19 0.23 3.58 -1.94 -0.43 116.42 124.38 2hlu h ASP 38 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2hlu h ASP 38 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2hlu h ASP 38 CO 0.47 0.01 0.00 -0.78 -2.88 0.00 0.00 179.24 176.06 2hlu h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.04 -3.45 116.42 116.79 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 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 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 -0.92 1.68 2.86 -0.78 0.00 -0.21 -5.14 105.19 102.69 2hlu n GLY 40 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 0.99 -4.65 1.61 5.12 -1.00 -4.60 116.66 114.13 2hlu n ARG 41 Ca 0.00 -2.81 -0.26 0.00 -1.93 0.00 0.00 57.85 52.85 2hlu n ARG 41 Cb 0.00 0.62 -0.14 0.00 -1.16 0.00 0.00 32.46 31.78 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 -2.32 1.75 -0.04 1.55 1.01 -0.15 -0.72 120.40 121.48 2hlu s VAL 42 Ca 0.07 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.86 2hlu s VAL 42 Cb -0.01 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2hlu s VAL 42 CO 0.05 0.20 -0.23 -0.70 0.00 0.00 0.00 175.10 174.42 2hlu s GLU 43 N -1.26 2.32 -0.02 2.72 2.12 0.10 -0.99 118.70 123.69 2hlu s GLU 43 Ca 0.08 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2hlu s GLU 43 Cb -0.09 -2.15 -0.00 0.00 0.26 0.00 0.00 34.13 32.15 2hlu s GLU 43 CO 0.02 0.53 -0.11 0.42 -0.54 0.00 0.00 175.26 175.58 2hlu s ILE 44 N -0.52 0.91 -0.15 -3.70 1.01 0.07 -0.84 121.20 118.00 2hlu s ILE 44 Ca 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2hlu s ILE 44 Cb -0.11 -0.79 0.07 0.00 0.01 0.00 0.00 42.46 41.64 2hlu s ILE 44 CO 0.00 0.27 0.31 -0.22 0.00 0.00 0.00 174.94 175.30 2hlu s LEU 45 N 0.01 -0.27 0.17 2.97 0.20 -0.39 -0.42 118.68 120.94 2hlu s LEU 45 Ca -0.00 0.70 -0.15 0.00 0.69 0.00 0.00 54.13 55.36 2hlu s LEU 45 Cb -0.07 0.91 0.02 0.00 -0.43 0.00 0.00 46.19 46.62 2hlu s LEU 45 CO 0.00 -0.22 0.43 0.00 -0.29 0.00 0.00 176.35 176.27 2hlu s ALA 46 N 2.23 -0.74 0.04 5.97 0.00 -0.80 -0.84 121.76 127.62 2hlu s ALA 46 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2hlu s ALA 46 Cb -0.11 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2hlu s ALA 46 CO -0.10 -0.72 -0.17 -2.00 0.00 0.00 0.00 175.76 172.77 2hlu s GLU 47 N -3.87 1.14 0.00 0.00 2.12 -0.35 -1.36 118.70 116.38 2hlu s GLU 47 Ca 0.09 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2hlu s GLU 47 Cb 0.01 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.18 2hlu s GLU 47 CO -0.05 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 2hlu n GLY 48 N 1.82 -1.65 3.68 -1.50 0.00 -0.49 -3.10 105.19 103.96 2hlu n GLY 48 Ca -0.18 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.24 1.88 0.13 1.61 -0.02 -1.26 -1.07 135.00 136.03 2hlu n PRO 49 Ca 0.00 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 2hlu n PRO 49 Cb 0.00 -2.26 0.40 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.20 0.22 -0.24 -0.52 4.11 -1.92 -0.22 114.58 118.20 2hlu h GLU 50 Ca -0.46 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 58.76 2hlu h GLU 50 Cb 1.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2hlu h GLU 50 CO 0.61 0.36 -0.48 -0.97 0.07 0.00 0.00 179.01 178.59 2hlu h ASN 51 N 0.21 0.85 -0.52 3.06 -1.24 -1.99 -0.93 115.58 115.02 2hlu h ASN 51 Ca 0.04 -0.54 -0.04 0.00 0.71 0.00 0.00 56.30 56.47 2hlu h ASN 51 Cb 0.37 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2hlu h ASN 51 CO 0.02 1.23 0.16 0.00 -1.29 0.00 0.00 177.43 177.56 2hlu h ALA 52 N 0.64 0.68 -0.20 1.57 0.00 -1.82 -1.20 119.26 118.92 2hlu h ALA 52 Ca 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hlu h ALA 52 Cb 1.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2hlu h ALA 52 CO 0.11 0.33 0.11 -0.07 0.00 0.00 0.00 179.25 179.73 2hlu h LEU 53 N 0.71 0.25 -0.79 0.00 3.38 -1.03 -0.12 115.31 117.70 2hlu h LEU 53 Ca 0.17 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2hlu h LEU 53 Cb 0.28 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2hlu h LEU 53 CO -0.01 0.26 0.52 1.56 0.09 0.00 0.00 178.44 180.86 2hlu h GLN 54 N 0.22 1.01 -0.64 1.13 4.20 -0.99 -0.03 115.11 120.01 2hlu h GLN 54 Ca 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2hlu h GLN 54 Cb 0.06 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 2hlu h GLN 54 CO -0.01 0.67 0.30 0.77 -0.67 0.00 0.00 178.83 179.89 2hlu h SER 55 N 1.05 0.83 -0.17 1.46 0.02 -0.98 -1.29 113.55 114.45 2hlu h SER 55 Ca 0.30 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2hlu h SER 55 Cb -0.09 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2hlu h SER 55 CO -0.08 0.71 -0.17 0.15 -1.14 0.00 0.00 176.83 176.30 2hlu h PHE 56 N 0.91 0.64 -0.45 3.45 3.57 0.06 -1.35 116.94 123.77 2hlu h PHE 56 Ca 0.22 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2hlu h PHE 56 Cb 0.11 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2hlu h PHE 56 CO 0.01 0.72 0.25 0.28 -2.23 0.00 0.00 178.31 177.34 2hlu h VAL 57 N 0.53 1.15 -0.83 1.41 2.07 -0.14 0.81 116.25 121.25 2hlu h VAL 57 Ca 0.09 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2hlu h VAL 57 Cb 0.59 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2hlu h VAL 57 CO 0.04 0.16 0.55 -0.33 0.02 0.00 0.00 177.57 178.01 2hlu h GLU 58 N 0.59 1.02 0.03 1.57 4.39 -0.81 -0.06 114.58 121.30 2hlu h GLU 58 Ca 0.16 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2hlu h GLU 58 Cb 0.04 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2hlu h GLU 58 CO -0.03 0.67 -0.02 0.00 -1.16 0.00 0.00 179.01 178.48 2hlu h ALA 59 N 1.51 -0.04 -0.57 3.43 0.00 -0.94 -3.35 119.26 119.29 2hlu h ALA 59 Ca 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2hlu h ALA 59 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2hlu h ALA 59 CO -0.09 -0.36 0.28 0.28 0.00 0.00 0.00 179.25 179.36 2hlu h VAL 60 N -0.38 1.20 0.00 0.00 2.07 -0.03 -2.63 116.25 116.48 2hlu h VAL 60 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2hlu h VAL 60 Cb 0.35 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2hlu h VAL 60 CO 0.01 0.23 0.00 0.07 0.02 0.00 0.00 177.57 177.90 2hlu h LYS 61 N 0.78 0.00 0.00 1.57 2.10 -1.17 -0.73 116.57 119.12 2hlu h LYS 61 Ca 0.20 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 2hlu h LYS 61 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2hlu h LYS 61 CO -0.03 0.00 -0.28 -0.97 -2.00 0.00 0.00 179.45 176.18 2hlu h ASN 62 N 0.00 0.00 -2.59 7.07 -1.24 -1.60 -3.47 115.58 113.76 2hlu h ASN 62 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 2hlu h ASN 62 Cb 0.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2hlu h ASN 62 CO 0.00 0.28 -0.05 0.61 -1.29 0.00 0.00 177.43 176.97 2hlu n GLY 63 N -0.64 -1.57 3.75 1.57 0.00 -0.28 -4.69 105.19 103.33 2hlu n GLY 63 Ca -0.02 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.17 4.12 0.65 1.61 1.04 -1.26 -4.89 113.70 110.80 2hlu s SER 64 Ca 0.00 1.71 0.20 0.00 0.48 0.00 0.00 55.95 58.34 2hlu s SER 64 Cb 0.00 -2.40 1.02 0.00 0.10 0.00 0.00 66.02 64.74 2hlu s SER 64 CO 0.00 -2.27 1.56 -0.65 0.98 0.00 0.00 173.24 172.87 2hlu h PRO 65 N -1.29 0.00 0.00 4.02 0.11 -1.90 -0.96 132.00 131.98 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2hlu h PRO 65 CO 0.52 0.00 -1.29 1.19 -0.21 0.00 0.00 178.00 178.21 2hlu n PHE 66 N -2.91 0.08 -1.43 0.65 3.72 -1.26 -4.99 117.46 111.32 2hlu n PHE 66 Ca 0.02 0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 2hlu n PHE 66 Cb 0.73 -0.28 0.15 0.00 -0.94 0.00 0.00 39.48 39.14 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 -3.71 3.22 -0.34 4.37 0.01 -0.37 -4.98 113.70 111.90 2hlu s SER 67 Ca 0.02 1.02 -0.01 0.00 1.31 0.00 0.00 55.95 58.29 2hlu s SER 67 Cb 0.15 -1.62 0.12 0.00 0.21 0.00 0.00 66.02 64.87 2hlu s SER 67 CO 0.86 -2.74 0.17 -0.75 0.41 0.00 0.00 173.24 171.19 2hlu s LYS 68 N -5.19 0.56 0.28 12.44 2.20 -0.23 -4.88 119.74 124.93 2hlu s LYS 68 Ca 0.64 -1.11 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2hlu s LYS 68 Cb -0.16 -1.53 -0.11 0.00 -1.51 0.00 0.00 37.83 34.52 2hlu s LYS 68 CO 0.55 -1.10 1.55 0.08 -0.36 0.00 0.00 175.35 176.07 2hlu s VAL 69 N 1.41 2.26 -0.01 4.02 1.01 -1.26 -0.95 120.40 126.89 2hlu s VAL 69 Ca 0.13 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2hlu s VAL 69 Cb -0.20 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2hlu s VAL 69 CO -0.17 0.03 0.06 0.35 0.00 0.00 0.00 175.10 175.38 2hlu n THR 70 N 2.29 0.02 -3.57 3.92 -2.24 0.04 -4.94 114.28 109.80 2hlu n THR 70 Ca 0.08 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2hlu n THR 70 Cb 0.38 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.49 -0.42 -0.06 3.42 2.15 -1.11 -5.00 116.67 113.16 2hlu s ASP 71 Ca -0.01 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.95 2hlu s ASP 71 Cb 0.02 0.50 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2hlu s ASP 71 CO 0.13 -0.76 0.26 -0.51 -0.17 0.00 0.00 175.17 174.12 2hlu s ILE 72 N -2.77 0.03 0.02 4.11 2.07 -1.26 -0.99 121.20 122.41 2hlu s ILE 72 Ca -0.03 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 2hlu s ILE 72 Cb -0.00 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 2hlu s ILE 72 CO -0.04 -0.15 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.36 2hlu s SER 73 N -0.57 0.46 0.02 4.50 0.01 -0.01 -5.01 113.70 113.10 2hlu s SER 73 Ca -0.07 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2hlu s SER 73 Cb -0.04 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2hlu s SER 73 CO 0.02 -0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 172.72 2hlu s VAL 74 N -1.07 0.52 -0.16 3.43 1.01 -1.26 -1.00 120.40 121.86 2hlu s VAL 74 Ca -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2hlu s VAL 74 Cb -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.83 2hlu s VAL 74 CO -0.00 -0.14 -0.02 -0.89 0.00 0.00 0.00 175.10 174.05 2hlu s THR 75 N -0.79 0.85 0.44 3.92 2.01 0.30 -5.00 115.64 117.37 2hlu s THR 75 Ca -0.04 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2hlu s THR 75 Cb -0.06 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2hlu s THR 75 CO 0.00 0.04 1.10 -1.83 -0.69 0.00 0.00 174.62 173.24 2hlu s GLU 76 N 1.74 3.94 0.09 4.92 -1.05 -1.26 -0.79 118.70 126.28 2hlu s GLU 76 Ca 0.01 1.62 -0.07 0.00 -0.15 0.00 0.00 54.97 56.37 2hlu s GLU 76 Cb -0.16 -2.44 -0.01 0.00 -0.44 0.00 0.00 34.13 31.09 2hlu s GLU 76 CO -0.07 -0.36 0.15 -1.12 0.95 0.00 0.00 175.26 174.81 2hlu s SER 77 N -1.51 0.19 0.00 0.83 0.01 -0.47 -4.89 113.70 107.87 2hlu s SER 77 Ca 0.61 -0.75 0.16 0.00 1.31 0.00 0.00 55.95 57.28 2hlu s SER 77 Cb -0.25 0.32 0.26 0.00 0.21 0.00 0.00 66.02 66.56 2hlu s SER 77 CO 0.30 -0.71 1.09 -1.14 0.41 0.00 0.00 173.24 173.18 2hlu n ARG 78 N -0.04 0.00 -1.64 12.44 0.63 -1.26 -2.72 116.66 124.06 2hlu n ARG 78 Ca -0.14 -1.57 -0.40 0.00 -0.92 0.00 0.00 57.85 54.82 2hlu n ARG 78 Cb 0.62 0.13 -0.02 0.00 0.45 0.00 0.00 32.46 33.65 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 0.30 7.42 -4.62 6.15 7.64 -1.26 -4.97 113.62 124.28 2hlu n SER 79 Ca -0.05 -2.81 -0.38 0.00 1.01 0.00 0.00 58.87 56.64 2hlu n SER 79 Cb 0.96 -1.52 0.05 0.00 -1.01 0.00 0.00 64.21 62.69 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 3.58 3.62 0.00 -3.43 4.77 -1.26 -4.96 117.00 119.32 2hlu n LEU 80 Ca 0.67 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 57.48 2hlu n LEU 80 Cb 0.27 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2hlu n LEU 80 CO 0.82 -1.78 -0.14 -1.84 -1.33 0.00 0.00 177.39 173.12 2hlu n GLU 81 N -0.87 4.67 -1.43 3.23 0.28 -1.26 -5.03 120.64 120.22 2hlu n GLU 81 Ca 0.13 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.98 2hlu n GLU 81 Cb 0.46 -0.61 -0.06 0.00 1.43 0.00 0.00 31.44 32.66 2hlu n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hlu n GLY 82 N 1.34 1.44 3.75 -1.84 0.00 -1.26 -4.94 105.19 103.68 2hlu n GLY 82 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.32 2.36 -0.12 1.61 3.76 -1.26 -4.96 115.29 114.36 2hlu s HIS 83 Ca 0.00 1.51 0.15 0.00 -0.15 0.00 0.00 55.06 56.57 2hlu s HIS 83 Cb 0.00 -3.52 0.34 0.00 1.11 0.00 0.00 32.58 30.51 2hlu s HIS 83 CO 0.00 -2.31 1.16 0.72 -0.85 0.00 0.00 174.74 173.46 2hlu n HIS 84 N -1.59 0.00 -3.65 1.40 8.25 -1.26 -4.78 115.22 113.60 2hlu n HIS 84 Ca 0.14 -0.96 -0.14 0.00 -0.26 0.00 0.00 57.72 56.49 2hlu n HIS 84 Cb 0.49 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.99 0.90 0.11 -0.41 1.70 -1.26 -5.04 118.95 112.96 2hlu s ARG 85 Ca 0.31 -0.15 0.06 0.00 -0.47 0.00 0.00 55.73 55.48 2hlu s ARG 85 Cb 0.31 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 35.05 2hlu s ARG 85 CO -0.06 -0.29 -0.04 0.12 -1.08 0.00 0.00 175.30 173.95 2hlu s PHE 86 N -1.84 2.86 0.08 5.89 5.36 -1.26 -1.38 117.98 127.68 2hlu s PHE 86 Ca -0.09 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 2hlu s PHE 86 Cb -0.02 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.16 2hlu s PHE 86 CO 0.02 0.46 -0.07 -1.12 -1.46 0.00 0.00 175.22 173.06 2hlu s SER 87 N -2.38 1.06 -0.12 6.13 0.01 -0.34 -4.92 113.70 113.13 2hlu s SER 87 Ca 0.24 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 2hlu s SER 87 Cb -0.11 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2hlu s SER 87 CO 0.16 -0.40 0.07 -0.63 0.41 0.00 0.00 173.24 172.85 2hlu s ILE 88 N -3.04 4.87 0.10 1.44 1.01 -1.26 -1.09 121.20 123.24 2hlu s ILE 88 Ca 0.06 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.76 2hlu s ILE 88 Cb 0.01 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2hlu s ILE 88 CO -0.03 0.58 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 2hlu s VAL 89 N -0.63 1.52 -0.57 2.92 1.01 -0.24 -4.94 120.40 119.47 2hlu s VAL 89 Ca 0.11 -1.54 0.06 0.00 0.00 0.00 0.00 61.98 60.62 2hlu s VAL 89 Cb -0.12 -1.45 0.25 0.00 0.00 0.00 0.00 36.38 35.06 2hlu s VAL 89 CO 0.02 -0.17 0.67 -1.22 0.00 0.00 0.00 175.10 174.41 2hlu n TYR 90 N 1.00 2.50 0.00 5.22 4.01 -1.26 -3.92 117.16 124.70 2hlu n TYR 90 Ca -0.19 -3.99 0.00 0.00 -0.16 0.00 0.00 57.90 53.56 2hlu n TYR 90 Cb 0.54 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83