#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 1.79 0.06 4.03 2.96 -0.11 -4.96 118.68 122.45 2hlu s LEU 2 Ca 0.00 -1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 52.20 2hlu s LEU 2 Cb 0.00 0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.86 2hlu s LEU 2 CO 0.00 -0.93 0.15 -1.58 -1.32 0.00 0.00 176.35 172.67 2hlu s GLN 3 N -3.71 0.74 0.21 1.98 0.74 -0.84 -1.49 119.66 117.29 2hlu s GLN 3 Ca 0.33 -0.87 -0.07 0.00 0.05 0.00 0.00 55.36 54.80 2hlu s GLN 3 Cb 0.04 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 2hlu s GLN 3 CO 0.19 -0.21 0.29 1.52 -0.55 0.00 0.00 175.29 176.53 2hlu s TYR 4 N -3.34 0.68 -0.03 1.67 -0.85 -0.38 -0.93 117.35 114.16 2hlu s TYR 4 Ca 0.01 -0.99 0.05 0.00 -0.52 0.00 0.00 57.07 55.62 2hlu s TYR 4 Cb 0.03 -0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 2hlu s TYR 4 CO -0.08 -0.79 -0.18 0.50 -1.52 0.00 0.00 175.55 173.47 2hlu s ARG 5 N -4.06 1.67 -0.01 -3.49 3.52 0.00 -1.79 118.95 114.79 2hlu s ARG 5 Ca 0.28 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2hlu s ARG 5 Cb 0.03 -1.54 -0.00 0.00 -1.56 0.00 0.00 34.95 31.88 2hlu s ARG 5 CO 0.08 0.34 -0.08 0.42 -0.81 0.00 0.00 175.30 175.26 2hlu s ILE 6 N -0.25 0.65 -0.04 4.11 1.01 0.38 -0.88 121.20 126.17 2hlu s ILE 6 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.40 2hlu s ILE 6 Cb -0.09 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2hlu s ILE 6 CO 0.01 0.19 -0.18 -0.63 0.00 0.00 0.00 174.94 174.32 2hlu s ILE 7 N -0.04 2.71 -0.02 2.92 -1.09 -0.21 -0.77 121.20 124.70 2hlu s ILE 7 Ca 0.01 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 2hlu s ILE 7 Cb -0.05 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2hlu s ILE 7 CO -0.00 0.59 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.52 2hlu s VAL 8 N -0.65 0.75 0.04 2.92 1.01 -0.09 -0.95 120.40 123.42 2hlu s VAL 8 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2hlu s VAL 8 Cb -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2hlu s VAL 8 CO 0.00 0.24 -0.08 -0.62 0.00 0.00 0.00 175.10 174.63 2hlu s ASP 9 N 0.17 0.95 0.00 3.32 2.15 -0.09 -0.97 116.67 122.21 2hlu s ASP 9 Ca -0.03 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2hlu s ASP 9 Cb -0.08 -0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2hlu s ASP 9 CO 0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2hlu n GLY 10 N 1.75 0.79 3.56 2.66 0.00 -1.26 -0.67 105.19 112.02 2hlu n GLY 10 Ca -0.20 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.48 2.99 -0.01 1.61 6.06 0.12 -4.54 118.95 123.70 2hlu s ARG 11 Ca 0.00 -0.72 0.01 0.00 -2.50 0.00 0.00 55.73 52.52 2hlu s ARG 11 Cb 0.00 -5.20 0.02 0.00 0.06 0.00 0.00 34.95 29.82 2hlu s ARG 11 CO 0.00 -2.94 0.78 1.33 -2.50 0.00 0.00 175.30 171.97 2hlu n VAL 12 N 7.45 0.53 -4.27 7.11 0.24 -1.26 -0.96 118.33 127.16 2hlu n VAL 12 Ca 0.38 -0.55 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 2hlu n VAL 12 Cb 0.48 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.59 1.14 -2.11 7.34 1.11 -1.26 -4.46 119.66 120.83 2hlu s GLN 13 Ca 0.02 -1.51 0.00 0.00 0.01 0.00 0.00 55.36 53.88 2hlu s GLN 13 Cb 0.02 -0.65 0.00 0.00 -1.01 0.00 0.00 33.01 31.37 2hlu s GLN 13 CO 0.00 0.04 0.00 0.41 0.01 0.00 0.00 175.29 175.75 2hlu n GLY 14 N -0.26 1.77 3.21 3.09 0.00 -1.26 -4.97 105.19 106.77 2hlu n GLY 14 Ca -0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.76 0.08 -0.00 1.61 -7.23 -1.26 -5.07 120.40 105.76 2hlu s VAL 15 Ca 0.00 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2hlu s VAL 15 Cb 0.00 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.24 2hlu s VAL 15 CO 0.00 -0.35 1.51 0.61 -0.31 0.00 0.00 175.10 176.56 2hlu n GLY 16 N 1.05 2.27 0.36 2.32 0.00 -1.26 -4.61 105.19 105.32 2hlu n GLY 16 Ca -0.21 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 0.51 0.96 -0.98 1.61 3.57 -1.98 -0.89 116.94 119.74 2hlu h PHE 17 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2hlu h PHE 17 Cb 1.00 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 2hlu h PHE 17 CO 0.12 0.56 0.64 0.00 -2.23 0.00 0.00 178.31 177.41 2hlu h ARG 18 N 1.00 1.18 -0.27 1.11 3.08 -1.85 0.04 114.38 118.67 2hlu h ARG 18 Ca 0.32 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.12 2hlu h ARG 18 Cb 0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2hlu h ARG 18 CO -0.09 0.78 -0.53 1.88 -1.07 0.00 0.00 179.97 180.94 2hlu h TYR 19 N 1.22 1.00 0.07 3.04 0.05 -1.58 -0.55 116.97 120.22 2hlu h TYR 19 Ca 0.40 -0.35 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2hlu h TYR 19 Cb 0.05 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2hlu h TYR 19 CO -0.00 1.15 -0.16 0.35 -1.05 0.00 0.00 178.16 178.45 2hlu h PHE 20 N 0.62 -0.42 -0.86 4.88 3.57 -0.46 -0.98 116.94 123.28 2hlu h PHE 20 Ca 0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2hlu h PHE 20 Cb 1.12 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.99 2hlu h PHE 20 CO 0.06 -0.24 0.55 0.28 -2.23 0.00 0.00 178.31 176.74 2hlu h VAL 21 N -0.31 1.14 -0.10 1.41 2.07 -1.00 -1.10 116.25 118.36 2hlu h VAL 21 Ca 0.03 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2hlu h VAL 21 Cb 0.33 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2hlu h VAL 21 CO -0.10 0.20 -0.07 -0.61 0.02 0.00 0.00 177.57 177.00 2hlu h GLN 22 N 1.08 -0.07 -0.20 1.57 5.75 -0.46 -0.70 115.11 122.08 2hlu h GLN 22 Ca 0.34 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.68 2hlu h GLN 22 Cb 0.01 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 2hlu h GLN 22 CO -0.12 -0.05 -0.55 0.52 -2.65 0.00 0.00 178.83 175.98 2hlu h MET 23 N -0.07 0.60 -0.04 1.69 2.86 -0.85 -1.01 114.93 118.09 2hlu h MET 23 Ca 0.07 -0.38 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 2hlu h MET 23 Cb 0.17 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2hlu h MET 23 CO -0.15 0.99 -0.38 0.93 1.06 0.00 0.00 176.91 179.36 2hlu h GLU 24 N 0.46 0.09 -0.11 1.72 4.39 -0.99 -0.64 114.58 119.49 2hlu h GLU 24 Ca 0.01 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 2hlu h GLU 24 Cb 1.11 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2hlu h GLU 24 CO 0.11 0.46 -0.54 0.00 -1.16 0.00 0.00 179.01 177.87 2hlu h ALA 25 N 1.54 0.22 -0.35 3.43 0.00 -0.92 -3.26 119.26 119.92 2hlu h ALA 25 Ca 0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2hlu h ALA 25 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hlu h ALA 25 CO 0.05 0.43 0.02 0.22 0.00 0.00 0.00 179.25 179.97 2hlu h ASP 26 N 0.18 0.59 0.29 0.00 3.58 -0.87 -1.21 116.42 118.99 2hlu h ASP 26 Ca -0.04 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2hlu h ASP 26 Cb 1.18 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2hlu h ASP 26 CO 0.11 0.74 0.00 0.07 -2.88 0.00 0.00 179.24 177.28 2hlu h LYS 27 N 0.42 0.00 -0.45 0.28 5.09 -1.26 -0.72 116.57 119.94 2hlu h LYS 27 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 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 -2.65 2.58 -3.05 0.07 3.00 -0.74 -4.99 116.66 110.88 2hlu n ARG 28 Ca -0.01 -2.21 -0.19 0.00 -0.00 0.00 0.00 57.85 55.44 2hlu n ARG 28 Cb 0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 32.46 31.18 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 1.04 -2.99 -1.59 -0.14 5.02 -0.28 -4.98 118.16 114.24 2hlu n LYS 29 Ca 0.17 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.62 2hlu n LYS 29 Cb 0.50 -5.12 0.10 0.00 -0.02 0.00 0.00 35.03 30.49 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 -6.13 2.49 0.05 -0.35 1.43 -0.62 -5.00 118.68 110.56 2hlu s LEU 30 Ca 0.26 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 2hlu s LEU 30 Cb -0.14 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2hlu s LEU 30 CO 0.32 -2.04 -0.12 0.00 0.23 0.00 0.00 176.35 174.74 2hlu s ALA 31 N -3.22 0.94 0.00 4.21 0.00 -1.12 -3.03 121.76 119.55 2hlu s ALA 31 Ca 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2hlu s ALA 31 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2hlu s ALA 31 CO 0.54 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.82 2hlu n GLY 32 N 1.49 0.45 3.18 0.00 0.00 -1.20 -0.96 105.19 108.15 2hlu n GLY 32 Ca -0.21 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.84 0.93 0.01 1.61 -2.14 0.11 -0.53 118.94 116.09 2hlu s TRP 33 Ca 0.00 -1.04 0.04 0.00 2.66 0.00 0.00 56.10 57.76 2hlu s TRP 33 Cb 0.00 -0.54 -0.01 0.00 -3.10 0.00 0.00 33.47 29.81 2hlu s TRP 33 CO 0.00 -0.28 -0.12 0.54 -2.66 0.00 0.00 176.95 174.43 2hlu s VAL 34 N -3.77 0.93 0.05 -0.66 0.11 -0.21 -1.13 120.40 115.72 2hlu s VAL 34 Ca 0.17 -0.65 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 2hlu s VAL 34 Cb 0.06 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2hlu s VAL 34 CO -0.02 0.15 0.43 -1.59 -3.33 0.00 0.00 175.10 170.75 2hlu s LYS 35 N -0.57 0.95 0.76 1.54 -2.85 -0.20 -1.34 119.74 118.04 2hlu s LYS 35 Ca 0.03 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.97 54.52 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 -0.33 1.09 1.21 0.10 0.00 0.00 175.35 177.42 2hlu s ASN 36 N -2.06 4.58 -0.08 0.03 2.47 -1.26 -0.67 114.94 117.95 2hlu s ASN 36 Ca -0.05 1.83 0.05 0.00 0.42 0.00 0.00 52.86 55.12 2hlu s ASN 36 Cb -0.01 -2.52 -0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2hlu s ASN 36 CO -0.03 -1.98 -0.24 -0.13 -3.72 0.00 0.00 177.10 170.99 2hlu s ARG 37 N -4.84 2.76 0.58 0.43 0.52 0.41 -4.73 118.95 114.08 2hlu s ARG 37 Ca 0.62 -0.88 0.28 0.00 -0.52 0.00 0.00 55.73 55.23 2hlu s ARG 37 Cb -0.17 -2.20 1.77 0.00 0.52 0.00 0.00 34.95 34.87 2hlu s ARG 37 CO 0.55 0.27 2.25 0.22 0.02 0.00 0.00 175.30 178.61 2hlu h ASP 38 N 6.40 0.00 0.12 0.23 3.58 -1.98 -0.29 116.42 124.48 2hlu h ASP 38 Ca -0.25 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2hlu h ASP 38 Cb 1.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2hlu h ASP 38 CO 0.47 0.00 -0.01 -0.78 -2.88 0.00 0.00 179.24 176.04 2hlu h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.05 -3.45 116.42 116.78 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 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2hlu h ASP 39 CO -0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2hlu n GLY 40 N -0.99 1.60 3.73 -0.78 0.00 -0.14 -5.14 105.19 103.46 2hlu n GLY 40 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 0.71 -4.74 1.61 5.12 -1.08 -4.71 116.66 113.58 2hlu n ARG 41 Ca 0.00 -3.50 -0.29 0.00 -1.93 0.00 0.00 57.85 52.12 2hlu n ARG 41 Cb 0.00 0.57 -0.14 0.00 -1.16 0.00 0.00 32.46 31.73 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 -2.75 2.14 -0.03 1.55 1.01 -0.14 -0.45 120.40 121.72 2hlu s VAL 42 Ca 0.21 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.78 2hlu s VAL 42 Cb -0.02 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2hlu s VAL 42 CO 0.13 0.27 -0.25 -0.70 0.00 0.00 0.00 175.10 174.55 2hlu s GLU 43 N -1.47 2.23 -0.00 2.72 2.12 0.16 -0.92 118.70 123.53 2hlu s GLU 43 Ca 0.12 -0.90 0.05 0.00 0.36 0.00 0.00 54.97 54.60 2hlu s GLU 43 Cb -0.10 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 2hlu s GLU 43 CO 0.03 0.48 -0.15 0.42 -0.54 0.00 0.00 175.26 175.50 2hlu s ILE 44 N -0.42 1.15 -0.07 -3.70 1.01 0.05 -1.03 121.20 118.19 2hlu s ILE 44 Ca 0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2hlu s ILE 44 Cb -0.11 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.43 2hlu s ILE 44 CO 0.01 0.27 0.15 -0.22 0.00 0.00 0.00 174.94 175.15 2hlu s LEU 45 N -0.48 0.31 0.02 2.97 0.20 -0.28 -0.47 118.68 120.94 2hlu s LEU 45 Ca 0.05 0.31 -0.04 0.00 0.69 0.00 0.00 54.13 55.14 2hlu s LEU 45 Cb -0.06 0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.98 2hlu s LEU 45 CO -0.00 -0.20 0.06 0.00 -0.29 0.00 0.00 176.35 175.92 2hlu s ALA 46 N 1.77 -0.07 0.13 5.97 0.00 -0.74 -0.71 121.76 128.10 2hlu s ALA 46 Ca -0.03 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.56 2hlu s ALA 46 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2hlu s ALA 46 CO -0.06 -0.22 -0.14 -1.83 0.00 0.00 0.00 175.76 173.52 2hlu s GLU 47 N -1.76 1.04 0.00 0.00 -1.05 -0.13 -1.25 118.70 115.55 2hlu s GLU 47 Ca -0.12 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 53.43 2hlu s GLU 47 Cb -0.07 -0.91 0.00 0.00 -0.44 0.00 0.00 34.13 32.71 2hlu s GLU 47 CO -0.01 0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.78 2hlu n GLY 48 N 0.47 -1.40 3.66 -3.83 0.00 -0.55 -2.78 105.19 100.76 2hlu n GLY 48 Ca -0.15 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.01 1.79 0.23 1.61 -0.02 -1.26 -0.93 135.00 136.41 2hlu n PRO 49 Ca 0.00 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 2hlu n PRO 49 Cb 0.00 -2.18 0.51 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.17 0.00 -0.13 -0.52 4.11 -1.93 -0.72 114.58 117.56 2hlu h GLU 50 Ca -0.45 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 2hlu h GLU 50 Cb 1.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2hlu h GLU 50 CO 0.61 0.17 -0.03 -0.97 0.07 0.00 0.00 179.01 178.85 2hlu h ASN 51 N 0.00 0.25 -0.56 3.06 -0.73 -1.99 -1.07 115.58 114.54 2hlu h ASN 51 Ca -0.00 -0.37 0.01 0.00 1.87 0.00 0.00 56.30 57.81 2hlu h ASN 51 Cb 0.29 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 2hlu h ASN 51 CO 0.02 0.56 0.37 0.00 -0.37 0.00 0.00 177.43 178.01 2hlu h ALA 52 N 0.70 0.72 -0.63 1.57 0.00 -1.82 -1.71 119.26 118.09 2hlu h ALA 52 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2hlu h ALA 52 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2hlu h ALA 52 CO 0.01 0.14 0.33 -0.07 0.00 0.00 0.00 179.25 179.66 2hlu h LEU 53 N 0.75 0.80 -0.32 0.00 3.38 -1.11 -0.89 115.31 117.93 2hlu h LEU 53 Ca 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2hlu h LEU 53 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2hlu h LEU 53 CO -0.05 0.68 0.14 1.56 0.09 0.00 0.00 178.44 180.86 2hlu h GLN 54 N 0.86 0.47 -0.72 1.13 4.20 -0.79 -0.28 115.11 119.97 2hlu h GLN 54 Ca 0.22 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.90 2hlu h GLN 54 Cb 0.07 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2hlu h GLN 54 CO -0.03 0.46 0.48 0.77 -0.67 0.00 0.00 178.83 179.83 2hlu h SER 55 N 0.37 0.71 0.23 1.46 0.02 -1.14 -1.36 113.55 113.83 2hlu h SER 55 Ca 0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2hlu h SER 55 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2hlu h SER 55 CO -0.01 0.47 -0.46 0.15 -1.14 0.00 0.00 176.83 175.84 2hlu h PHE 56 N 0.81 0.33 -0.50 3.45 3.57 -0.43 -0.74 116.94 123.43 2hlu h PHE 56 Ca 0.30 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2hlu h PHE 56 Cb 0.16 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2hlu h PHE 56 CO -0.00 0.69 0.22 0.28 -2.23 0.00 0.00 178.31 177.27 2hlu h VAL 57 N 0.23 1.20 -0.50 1.41 2.07 -0.13 0.26 116.25 120.78 2hlu h VAL 57 Ca 0.01 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2hlu h VAL 57 Cb 0.90 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2hlu h VAL 57 CO 0.07 0.23 0.33 -0.33 0.02 0.00 0.00 177.57 177.89 2hlu h GLU 58 N 0.66 0.67 0.16 1.57 5.08 -0.69 0.13 114.58 122.16 2hlu h GLU 58 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2hlu h GLU 58 Cb 0.15 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hlu h GLU 58 CO -0.02 0.45 -0.08 0.00 -1.00 0.00 0.00 179.01 178.36 2hlu h ALA 59 N 1.68 -0.22 -0.58 3.43 0.00 -0.89 -3.33 119.26 119.35 2hlu h ALA 59 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2hlu h ALA 59 Cb -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2hlu h ALA 59 CO -0.04 -0.44 0.26 0.28 0.00 0.00 0.00 179.25 179.31 2hlu h VAL 60 N -0.60 1.22 0.00 0.00 2.07 -0.18 -2.80 116.25 115.96 2hlu h VAL 60 Ca -0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2hlu h VAL 60 Cb 0.45 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2hlu h VAL 60 CO 0.04 0.25 0.00 0.07 0.02 0.00 0.00 177.57 177.95 2hlu h LYS 61 N 0.79 0.00 0.00 1.57 2.10 -0.91 -0.29 116.57 119.83 2hlu h LYS 61 Ca 0.20 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.79 2hlu h LYS 61 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2hlu h LYS 61 CO -0.02 0.00 -0.25 -0.97 -2.00 0.00 0.00 179.45 176.21 2hlu h ASN 62 N 0.00 0.00 -3.44 7.07 -1.24 -1.60 -3.48 115.58 112.90 2hlu h ASN 62 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 56.30 57.22 2hlu h ASN 62 Cb 0.25 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 2hlu h ASN 62 CO 0.00 0.25 -0.28 0.61 -1.29 0.00 0.00 177.43 176.73 2hlu n GLY 63 N -0.08 -1.99 3.76 1.57 0.00 -0.12 -4.73 105.19 103.60 2hlu n GLY 63 Ca -0.01 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.94 4.40 0.58 1.61 1.04 -1.26 -4.86 113.70 110.26 2hlu s SER 64 Ca 0.00 1.88 0.32 0.00 0.48 0.00 0.00 55.95 58.63 2hlu s SER 64 Cb 0.00 -2.53 1.39 0.00 0.10 0.00 0.00 66.02 64.98 2hlu s SER 64 CO 0.00 -2.11 1.71 -0.65 0.98 0.00 0.00 173.24 173.17 2hlu h PRO 65 N -1.10 0.00 0.00 4.02 0.11 -1.99 -0.27 132.00 132.77 2hlu h PRO 65 Ca -0.44 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 2hlu h PRO 65 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2hlu h PRO 65 CO 0.51 0.00 -1.10 0.74 -0.21 0.00 0.00 178.00 177.94 2hlu h PHE 66 N 0.00 0.00 -4.03 0.65 0.04 -1.96 -3.47 116.94 108.17 2hlu h PHE 66 Ca 0.43 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.74 2hlu h PHE 66 Cb 2.08 0.00 0.15 0.00 2.20 0.00 0.00 35.95 40.37 2hlu h PHE 66 CO 0.00 0.76 0.24 -1.12 -0.60 0.00 0.00 178.31 177.59 2hlu s SER 67 N -6.30 3.04 -0.40 2.17 0.01 -0.11 -5.00 113.70 107.10 2hlu s SER 67 Ca -0.00 1.13 0.02 0.00 1.31 0.00 0.00 55.95 58.41 2hlu s SER 67 Cb 0.09 -1.77 0.16 0.00 0.21 0.00 0.00 66.02 64.70 2hlu s SER 67 CO 0.80 -2.87 0.29 -0.75 0.41 0.00 0.00 173.24 171.12 2hlu s LYS 68 N -5.08 0.84 0.30 12.44 2.20 -0.14 -4.81 119.74 125.50 2hlu s LYS 68 Ca 0.64 -1.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.11 2hlu s LYS 68 Cb -0.17 -1.49 -0.12 0.00 -1.51 0.00 0.00 37.83 34.54 2hlu s LYS 68 CO 0.56 -1.30 1.58 1.55 -0.36 0.00 0.00 175.35 177.38 2hlu n VAL 69 N 3.31 1.12 0.00 4.02 3.14 -1.26 -0.71 118.33 127.96 2hlu n VAL 69 Ca 0.22 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2hlu n VAL 69 Cb 0.43 -1.96 -0.00 0.00 -1.06 0.00 0.00 33.84 31.25 2hlu n VAL 69 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2hlu n THR 70 N 1.96 0.00 -3.64 1.55 -2.24 0.16 -4.93 114.28 107.14 2hlu n THR 70 Ca 0.08 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 2hlu n THR 70 Cb 0.37 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.81 -0.42 -0.03 3.42 2.15 -0.99 -5.00 116.67 113.99 2hlu s ASP 71 Ca -0.00 0.37 -0.08 0.00 0.43 0.00 0.00 52.55 53.26 2hlu s ASP 71 Cb 0.00 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 2hlu s ASP 71 CO 0.02 -0.55 0.19 -0.51 -0.17 0.00 0.00 175.17 174.16 2hlu s ILE 72 N -1.39 0.05 0.02 4.11 2.07 -1.26 -0.91 121.20 123.88 2hlu s ILE 72 Ca -0.12 -0.38 0.01 0.00 -1.41 0.00 0.00 60.65 58.76 2hlu s ILE 72 Cb -0.02 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2hlu s ILE 72 CO 0.06 -0.21 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.40 2hlu s SER 73 N -0.76 0.47 0.01 4.50 0.01 -0.12 -5.00 113.70 112.81 2hlu s SER 73 Ca -0.08 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2hlu s SER 73 Cb -0.05 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2hlu s SER 73 CO 0.01 -0.10 -0.04 -0.69 0.41 0.00 0.00 173.24 172.83 2hlu s VAL 74 N -0.74 0.31 -0.14 3.43 1.01 -1.26 -1.04 120.40 121.97 2hlu s VAL 74 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2hlu s VAL 74 Cb -0.06 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2hlu s VAL 74 CO -0.00 -0.13 0.03 -0.89 0.00 0.00 0.00 175.10 174.11 2hlu s THR 75 N -0.61 0.37 0.43 3.92 2.01 -0.06 -5.01 115.64 116.69 2hlu s THR 75 Ca -0.04 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 2hlu s THR 75 Cb -0.05 -0.74 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 2hlu s THR 75 CO -0.00 -0.01 1.00 -1.83 -0.69 0.00 0.00 174.62 173.09 2hlu s GLU 76 N 1.95 4.12 0.23 4.92 -1.05 -1.26 -0.82 118.70 126.79 2hlu s GLU 76 Ca 0.02 1.32 -0.13 0.00 -0.15 0.00 0.00 54.97 56.03 2hlu s GLU 76 Cb -0.15 -2.31 -0.00 0.00 -0.44 0.00 0.00 34.13 31.23 2hlu s GLU 76 CO -0.07 -0.15 0.46 -1.12 0.95 0.00 0.00 175.26 175.33 2hlu s SER 77 N -1.90 -0.09 0.00 0.83 0.01 -0.11 -4.93 113.70 107.51 2hlu s SER 77 Ca 0.61 -0.89 0.22 0.00 1.31 0.00 0.00 55.95 57.20 2hlu s SER 77 Cb -0.16 0.57 0.36 0.00 0.21 0.00 0.00 66.02 67.00 2hlu s SER 77 CO 0.20 -1.11 1.14 -1.14 0.41 0.00 0.00 173.24 172.74 2hlu n ARG 78 N -0.36 0.00 -1.79 12.44 0.63 -1.26 -1.99 116.66 124.32 2hlu n ARG 78 Ca -0.03 -1.84 -0.40 0.00 -0.92 0.00 0.00 57.85 54.67 2hlu n ARG 78 Cb 0.62 -0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.51 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 0.42 8.27 -4.63 6.15 7.64 -1.26 -4.98 113.62 125.24 2hlu n SER 79 Ca 0.03 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.51 2hlu n SER 79 Cb 1.08 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 2.26 2.71 -0.01 -3.43 4.77 -1.26 -4.94 117.00 117.11 2hlu n LEU 80 Ca 0.67 1.11 0.06 0.00 -0.03 0.00 0.00 56.01 57.83 2hlu n LEU 80 Cb 0.24 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 39.86 2hlu n LEU 80 CO 0.74 -1.18 -0.62 -1.84 -1.33 0.00 0.00 177.39 173.15 2hlu n GLU 81 N 0.37 0.43 -1.12 3.23 -0.00 -1.26 -5.03 120.64 117.26 2hlu n GLU 81 Ca 0.08 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.16 57.09 2hlu n GLU 81 Cb 0.37 -1.27 -0.02 0.00 -0.00 0.00 0.00 31.44 30.52 2hlu n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hlu n GLY 82 N 1.82 0.69 3.72 -1.84 0.00 -1.26 -5.02 105.19 103.30 2hlu n GLY 82 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.03 2.28 -2.09 1.61 3.76 -1.26 -4.99 115.29 112.57 2hlu s HIS 83 Ca 0.00 1.36 0.19 0.00 -0.15 0.00 0.00 55.06 56.46 2hlu s HIS 83 Cb 0.00 -3.14 0.08 0.00 1.11 0.00 0.00 32.58 30.63 2hlu s HIS 83 CO 0.00 -2.36 1.03 -2.39 -0.85 0.00 0.00 174.74 170.18 2hlu n HIS 84 N -3.87 0.00 -3.76 1.40 1.44 -1.26 -4.80 115.22 104.36 2hlu n HIS 84 Ca 0.08 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.69 2hlu n HIS 84 Cb 0.54 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 2hlu n HIS 84 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2hlu s ARG 85 N -1.81 1.18 0.58 -1.40 3.03 -1.26 -4.89 118.95 114.38 2hlu s ARG 85 Ca 0.19 -0.89 -0.13 0.00 2.03 0.00 0.00 55.73 56.93 2hlu s ARG 85 Cb 0.15 0.46 -0.05 0.00 -1.03 0.00 0.00 34.95 34.48 2hlu s ARG 85 CO 0.33 -0.47 1.01 0.12 -1.13 0.00 0.00 175.30 175.17 2hlu s PHE 86 N -3.87 3.54 0.03 5.89 5.36 -1.17 -3.20 117.98 124.56 2hlu s PHE 86 Ca 0.08 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2hlu s PHE 86 Cb 0.01 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2hlu s PHE 86 CO -0.06 -0.59 -0.06 -1.12 -1.46 0.00 0.00 175.22 171.93 2hlu s SER 87 N -3.72 0.62 -0.13 6.13 0.01 0.31 -4.87 113.70 112.05 2hlu s SER 87 Ca 0.57 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.28 2hlu s SER 87 Cb -0.11 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2hlu s SER 87 CO 0.45 -0.22 0.05 -0.63 0.41 0.00 0.00 173.24 173.30 2hlu s ILE 88 N -1.32 4.67 0.03 1.44 1.01 -1.26 -1.05 121.20 124.72 2hlu s ILE 88 Ca -0.11 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2hlu s ILE 88 Cb -0.09 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2hlu s ILE 88 CO -0.00 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 2hlu s VAL 89 N -0.40 1.01 0.00 2.92 1.01 -0.45 -4.93 120.40 119.56 2hlu s VAL 89 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2hlu s VAL 89 Cb -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2hlu s VAL 89 CO 0.02 -0.01 0.18 0.00 0.00 0.00 0.00 175.10 175.29 2hlu n TYR 90 N 1.96 0.00 0.00 5.22 0.18 -1.26 -4.26 117.16 119.00 2hlu n TYR 90 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 2hlu n TYR 90 Cb 0.55 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21