#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlu s LEU 2 N 0.00 0.54 0.04 4.03 2.96 -0.19 -4.92 118.68 121.14 2hlu s LEU 2 Ca 0.00 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 2hlu s LEU 2 Cb 0.00 1.60 -0.03 0.00 0.50 0.00 0.00 46.19 48.26 2hlu s LEU 2 CO 0.00 -1.01 -0.06 -1.58 -1.32 0.00 0.00 176.35 172.38 2hlu s GLN 3 N -3.96 0.52 0.12 1.98 -0.44 -0.76 -1.51 119.66 115.61 2hlu s GLN 3 Ca 0.17 -0.82 -0.02 0.00 -2.50 0.00 0.00 55.36 52.19 2hlu s GLN 3 Cb 0.01 -0.17 -0.04 0.00 -1.64 0.00 0.00 33.01 31.17 2hlu s GLN 3 CO 0.02 0.01 0.06 1.52 0.50 0.00 0.00 175.29 177.40 2hlu s TYR 4 N -1.80 0.76 -0.04 1.67 -0.85 -0.39 -1.01 117.35 115.69 2hlu s TYR 4 Ca -0.08 -1.17 0.04 0.00 -0.52 0.00 0.00 57.07 55.35 2hlu s TYR 4 Cb -0.07 -0.43 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 2hlu s TYR 4 CO -0.01 -0.51 -0.16 0.50 -1.52 0.00 0.00 175.55 173.85 2hlu s ARG 5 N -4.02 2.42 -0.02 -3.49 3.52 0.05 -1.44 118.95 115.97 2hlu s ARG 5 Ca 0.20 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2hlu s ARG 5 Cb 0.07 -2.32 -0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2hlu s ARG 5 CO -0.01 0.61 -0.10 0.42 -0.81 0.00 0.00 175.30 175.41 2hlu s ILE 6 N -0.73 0.85 -0.03 4.11 1.01 0.47 -0.85 121.20 126.03 2hlu s ILE 6 Ca 0.11 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2hlu s ILE 6 Cb -0.10 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2hlu s ILE 6 CO 0.01 0.25 -0.13 -0.63 0.00 0.00 0.00 174.94 174.44 2hlu s ILE 7 N 0.02 3.18 -0.00 2.92 -1.09 -0.19 -0.67 121.20 125.36 2hlu s ILE 7 Ca -0.00 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 2hlu s ILE 7 Cb -0.07 -2.29 -0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2hlu s ILE 7 CO 0.00 0.52 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.50 2hlu s VAL 8 N -0.82 0.32 0.03 2.92 1.01 -0.42 -1.08 120.40 122.37 2hlu s VAL 8 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2hlu s VAL 8 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2hlu s VAL 8 CO 0.03 0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 2hlu s ASP 9 N -0.06 0.28 0.00 3.32 2.15 -0.10 -1.45 116.67 120.82 2hlu s ASP 9 Ca 0.01 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.37 2hlu s ASP 9 Cb -0.02 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2hlu s ASP 9 CO -0.00 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 2hlu n GLY 10 N 1.02 0.73 3.57 2.66 0.00 -1.26 -0.84 105.19 111.07 2hlu n GLY 10 Ca -0.20 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.28 2.82 0.00 1.61 3.52 -0.08 -4.56 118.95 120.98 2hlu s ARG 11 Ca 0.00 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 2hlu s ARG 11 Cb 0.00 -5.25 0.00 0.00 -1.56 0.00 0.00 34.95 28.14 2hlu s ARG 11 CO 0.00 -3.43 0.58 1.33 -0.81 0.00 0.00 175.30 172.98 2hlu n VAL 12 N 7.54 0.20 -4.14 7.11 0.24 -1.26 -0.56 118.33 127.46 2hlu n VAL 12 Ca 0.43 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.34 62.38 2hlu n VAL 12 Cb 0.47 0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.20 0.75 -0.65 7.34 -0.21 -1.26 -4.60 119.66 120.83 2hlu s GLN 13 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.38 2hlu s GLN 13 Cb 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 33.01 33.47 2hlu s GLN 13 CO 0.00 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 2hlu n GLY 14 N 0.97 0.85 0.77 3.09 0.00 -1.26 -4.90 105.19 104.70 2hlu n GLY 14 Ca -0.19 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.77 0.29 -0.89 1.61 0.24 -1.26 -5.00 118.33 110.54 2hlu n VAL 15 Ca -0.06 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2hlu n VAL 15 Cb 0.23 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.04 0.40 0.31 7.63 0.00 -1.26 -4.55 105.19 107.69 2hlu n GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.77 -0.97 1.61 3.57 -1.95 -1.37 116.94 118.59 2hlu h PHE 17 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2hlu h PHE 17 Cb 0.24 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 2hlu h PHE 17 CO 0.15 0.57 0.64 0.00 -2.23 0.00 0.00 178.31 177.44 2hlu h ARG 18 N 0.77 1.19 -0.18 1.11 3.08 -1.90 0.21 114.38 118.67 2hlu h ARG 18 Ca 0.19 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 2hlu h ARG 18 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2hlu h ARG 18 CO -0.02 0.79 -0.64 1.88 -1.07 0.00 0.00 179.97 180.91 2hlu h TYR 19 N 1.23 0.84 0.03 3.04 0.05 -1.70 -0.81 116.97 119.65 2hlu h TYR 19 Ca 0.39 -0.33 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2hlu h TYR 19 Cb -0.00 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2hlu h TYR 19 CO -0.01 1.11 -0.12 0.35 -1.05 0.00 0.00 178.16 178.44 2hlu h PHE 20 N 0.47 -0.31 -0.75 4.88 3.57 -0.48 -0.91 116.94 123.42 2hlu h PHE 20 Ca -0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2hlu h PHE 20 Cb 1.22 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 2hlu h PHE 20 CO 0.06 -0.18 0.48 0.28 -2.23 0.00 0.00 178.31 176.72 2hlu h VAL 21 N -0.22 1.12 -0.14 1.41 2.07 -0.96 -0.85 116.25 118.68 2hlu h VAL 21 Ca 0.03 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2hlu h VAL 21 Cb 0.26 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2hlu h VAL 21 CO -0.09 0.17 -0.06 -0.61 0.02 0.00 0.00 177.57 177.00 2hlu h GLN 22 N 0.94 -0.04 -0.09 1.57 5.75 -0.58 -0.81 115.11 121.85 2hlu h GLN 22 Ca 0.30 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.61 2hlu h GLN 22 Cb 0.00 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 2hlu h GLN 22 CO -0.11 -0.02 -0.76 0.52 -2.65 0.00 0.00 178.83 175.81 2hlu h MET 23 N -0.04 0.50 -0.02 1.69 2.86 -0.83 -0.90 114.93 118.19 2hlu h MET 23 Ca 0.07 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.21 2hlu h MET 23 Cb 0.15 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hlu h MET 23 CO -0.16 1.05 -0.42 0.93 1.06 0.00 0.00 176.91 179.36 2hlu h GLU 24 N 0.34 0.05 -0.14 1.72 4.39 -1.03 -0.67 114.58 119.23 2hlu h GLU 24 Ca -0.04 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2hlu h GLU 24 Cb 1.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2hlu h GLU 24 CO 0.14 0.46 -0.41 0.00 -1.16 0.00 0.00 179.01 178.04 2hlu h ALA 25 N 1.53 0.23 -0.30 3.43 0.00 -0.95 -3.26 119.26 119.95 2hlu h ALA 25 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2hlu h ALA 25 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2hlu h ALA 25 CO 0.06 0.34 0.04 0.22 0.00 0.00 0.00 179.25 179.91 2hlu h ASP 26 N 0.14 0.49 0.24 0.00 3.58 -0.88 -1.39 116.42 118.60 2hlu h ASP 26 Ca -0.01 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2hlu h ASP 26 Cb 1.03 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2hlu h ASP 26 CO 0.09 0.63 0.00 2.29 -2.88 0.00 0.00 179.24 179.37 2hlu n LYS 27 N -4.62 0.16 -0.24 0.28 -0.00 -0.28 -1.19 118.16 112.27 2hlu n LYS 27 Ca -0.02 0.58 0.06 0.00 -0.00 0.00 0.00 58.31 58.93 2hlu n LYS 27 Cb 0.22 -1.95 0.18 0.00 -0.00 0.00 0.00 35.03 33.47 2hlu n LYS 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hlu n ARG 28 N -2.28 2.89 -2.71 -1.58 3.00 -0.77 -5.00 116.66 110.21 2hlu n ARG 28 Ca -0.00 -2.23 -0.15 0.00 -0.00 0.00 0.00 57.85 55.46 2hlu n ARG 28 Cb 0.10 -1.40 -0.00 0.00 0.00 0.00 0.00 32.46 31.15 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hlu n LYS 29 N 0.26 -2.69 -1.62 -0.14 4.76 -0.33 -4.97 118.16 113.42 2hlu n LYS 29 Ca 0.14 0.57 -0.29 0.00 -2.87 0.00 0.00 58.31 55.85 2hlu n LYS 29 Cb 0.53 -5.20 0.10 0.00 -1.84 0.00 0.00 35.03 28.62 2hlu n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hlu s LEU 30 N -5.88 2.39 0.05 -0.35 1.43 -0.62 -4.97 118.68 110.74 2hlu s LEU 30 Ca 0.12 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2hlu s LEU 30 Cb -0.06 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2hlu s LEU 30 CO 0.15 -2.12 -0.07 0.00 0.23 0.00 0.00 176.35 174.54 2hlu s ALA 31 N -3.27 0.62 0.00 4.21 0.00 -1.04 -3.38 121.76 118.90 2hlu s ALA 31 Ca 0.62 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2hlu s ALA 31 Cb -0.14 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2hlu s ALA 31 CO 0.53 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2hlu n GLY 32 N 1.06 0.79 3.14 0.00 0.00 -1.07 -0.76 105.19 108.35 2hlu n GLY 32 Ca -0.20 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.41 0.77 -0.02 1.61 -2.14 0.11 -0.97 118.94 114.90 2hlu s TRP 33 Ca 0.00 -1.18 0.03 0.00 2.66 0.00 0.00 56.10 57.60 2hlu s TRP 33 Cb 0.00 -0.45 -0.00 0.00 -3.10 0.00 0.00 33.47 29.92 2hlu s TRP 33 CO 0.00 -0.49 -0.09 0.54 -2.66 0.00 0.00 176.95 174.25 2hlu s VAL 34 N -4.02 0.72 0.30 -0.66 0.11 -0.27 -1.14 120.40 115.44 2hlu s VAL 34 Ca 0.20 -0.36 -0.19 0.00 -2.93 0.00 0.00 61.98 58.70 2hlu s VAL 34 Cb 0.07 -0.62 0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2hlu s VAL 34 CO -0.01 0.22 0.81 -1.59 -3.33 0.00 0.00 175.10 171.20 2hlu s LYS 35 N 0.00 1.86 0.89 1.54 -2.85 -0.26 -1.28 119.74 119.64 2hlu s LYS 35 Ca 0.00 -1.12 -0.12 0.00 -1.00 0.00 0.00 55.97 53.73 2hlu s LYS 35 Cb -0.06 0.57 0.12 0.00 -2.06 0.00 0.00 37.83 36.40 2hlu s LYS 35 CO -0.00 -0.86 1.10 1.21 0.10 0.00 0.00 175.35 176.89 2hlu s ASN 36 N -3.04 3.61 0.10 0.03 2.47 -1.26 -0.74 114.94 116.12 2hlu s ASN 36 Ca 0.14 1.36 0.06 0.00 0.42 0.00 0.00 52.86 54.84 2hlu s ASN 36 Cb -0.05 -2.04 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 2hlu s ASN 36 CO 0.08 -2.54 -0.16 -0.60 -3.72 0.00 0.00 177.10 170.17 2hlu s ARG 37 N -5.02 0.99 0.48 0.43 3.52 0.24 -4.56 118.95 115.03 2hlu s ARG 37 Ca 0.63 -1.13 0.18 0.00 -0.13 0.00 0.00 55.73 55.28 2hlu s ARG 37 Cb -0.17 -1.02 1.19 0.00 -1.56 0.00 0.00 34.95 33.39 2hlu s ARG 37 CO 0.56 0.22 2.00 0.22 -0.81 0.00 0.00 175.30 177.49 2hlu h ASP 38 N 3.91 0.20 0.56 -2.12 3.58 -1.99 0.15 116.42 120.70 2hlu h ASP 38 Ca -0.42 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 2hlu h ASP 38 Cb 1.19 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2hlu h ASP 38 CO 0.44 0.12 -0.03 -0.78 -2.88 0.00 0.00 179.24 176.11 2hlu h ASP 39 N 0.22 0.00 0.00 2.28 3.58 -2.03 -3.46 116.42 117.01 2hlu h ASP 39 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2hlu h ASP 39 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2hlu h ASP 39 CO -0.04 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.95 2hlu n GLY 40 N -0.46 0.98 3.94 -0.78 0.00 0.51 -5.13 105.19 104.26 2hlu n GLY 40 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.39 1.91 0.13 1.61 1.81 -1.22 -4.83 118.95 117.97 2hlu s ARG 41 Ca 0.00 -0.46 -0.11 0.00 -1.72 0.00 0.00 55.73 53.44 2hlu s ARG 41 Cb 0.00 -2.17 -0.06 0.00 -0.45 0.00 0.00 34.95 32.26 2hlu s ARG 41 CO 0.00 -1.40 0.47 0.08 -0.68 0.00 0.00 175.30 173.77 2hlu s VAL 42 N -3.29 4.99 -0.04 3.52 1.01 -0.53 -0.59 120.40 125.48 2hlu s VAL 42 Ca 0.63 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2hlu s VAL 42 Cb -0.09 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2hlu s VAL 42 CO 0.45 0.19 -0.17 -0.70 0.00 0.00 0.00 175.10 174.87 2hlu s GLU 43 N -2.14 1.77 0.01 2.72 2.12 0.08 -1.30 118.70 121.96 2hlu s GLU 43 Ca 0.38 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 55.16 2hlu s GLU 43 Cb -0.14 -1.55 -0.02 0.00 0.26 0.00 0.00 34.13 32.68 2hlu s GLU 43 CO 0.19 0.25 -0.21 0.42 -0.54 0.00 0.00 175.26 175.38 2hlu s ILE 44 N 0.01 1.65 -0.08 -3.70 1.01 0.15 -1.10 121.20 119.13 2hlu s ILE 44 Ca -0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 2hlu s ILE 44 Cb -0.11 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.01 2hlu s ILE 44 CO 0.02 0.35 0.17 -0.22 0.00 0.00 0.00 174.94 175.26 2hlu s LEU 45 N -0.79 0.19 0.00 2.97 0.20 -0.29 -0.40 118.68 120.56 2hlu s LEU 45 Ca 0.08 0.35 -0.04 0.00 0.69 0.00 0.00 54.13 55.20 2hlu s LEU 45 Cb -0.08 0.35 -0.00 0.00 -0.43 0.00 0.00 46.19 46.03 2hlu s LEU 45 CO 0.00 -0.21 0.08 0.00 -0.29 0.00 0.00 176.35 175.93 2hlu s ALA 46 N 1.89 -0.17 0.03 5.97 0.00 -0.52 -0.71 121.76 128.24 2hlu s ALA 46 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2hlu s ALA 46 Cb -0.12 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2hlu s ALA 46 CO -0.06 -0.18 -0.17 -2.00 0.00 0.00 0.00 175.76 173.35 2hlu s GLU 47 N -1.26 1.24 0.00 0.00 -6.30 0.06 -1.26 118.70 111.18 2hlu s GLU 47 Ca -0.14 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.55 2hlu s GLU 47 Cb -0.08 -1.27 0.00 0.00 0.00 0.00 0.00 34.13 32.78 2hlu s GLU 47 CO 0.01 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.03 2hlu n GLY 48 N 2.11 -1.41 3.64 -1.50 0.00 -0.57 -2.49 105.19 104.98 2hlu n GLY 48 Ca -0.17 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.08 1.41 -0.35 1.61 -0.02 -1.26 -1.02 135.00 135.28 2hlu n PRO 49 Ca 0.00 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 2hlu n PRO 49 Cb 0.00 -2.20 0.12 0.00 -0.02 0.00 0.00 33.50 31.40 2hlu n PRO 49 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2hlu h GLU 50 N 1.39 1.19 -0.47 -0.52 3.07 -1.91 -0.86 114.58 116.47 2hlu h GLU 50 Ca -0.47 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.28 2hlu h GLU 50 Cb 1.33 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 2hlu h GLU 50 CO 0.56 0.78 0.13 -0.97 -1.40 0.00 0.00 179.01 178.11 2hlu h ASN 51 N 1.22 0.69 -0.56 1.42 -1.24 -1.99 0.24 115.58 115.37 2hlu h ASN 51 Ca 0.36 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2hlu h ASN 51 Cb -0.05 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2hlu h ASN 51 CO -0.10 0.73 0.36 0.00 -1.29 0.00 0.00 177.43 177.14 2hlu h ALA 52 N 0.99 0.71 -0.65 1.57 0.00 -1.81 -1.59 119.26 118.48 2hlu h ALA 52 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2hlu h ALA 52 Cb 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2hlu h ALA 52 CO -0.00 0.15 0.17 -0.07 0.00 0.00 0.00 179.25 179.50 2hlu h LEU 53 N 0.75 0.96 -0.36 0.00 3.38 -0.84 -1.36 115.31 117.84 2hlu h LEU 53 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2hlu h LEU 53 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2hlu h LEU 53 CO -0.04 0.92 0.14 1.56 0.09 0.00 0.00 178.44 181.11 2hlu h GLN 54 N 0.97 0.54 -0.92 1.13 1.08 -0.52 0.06 115.11 117.46 2hlu h GLN 54 Ca 0.21 -0.10 0.09 0.00 -1.45 0.00 0.00 58.65 57.41 2hlu h GLN 54 Cb 0.33 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2hlu h GLN 54 CO -0.00 0.52 0.59 0.77 -0.95 0.00 0.00 178.83 179.76 2hlu h SER 55 N 0.43 0.85 0.45 1.46 0.02 -1.07 -1.39 113.55 114.30 2hlu h SER 55 Ca 0.12 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2hlu h SER 55 Cb 0.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2hlu h SER 55 CO -0.01 0.50 -0.58 0.15 -1.14 0.00 0.00 176.83 175.75 2hlu h PHE 56 N 0.94 0.16 -0.45 3.45 3.57 -0.52 -0.66 116.94 123.42 2hlu h PHE 56 Ca 0.42 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2hlu h PHE 56 Cb 0.38 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2hlu h PHE 56 CO -0.00 0.67 0.16 0.28 -2.23 0.00 0.00 178.31 177.19 2hlu h VAL 57 N 0.10 1.21 -0.40 1.41 2.07 -0.11 0.54 116.25 121.06 2hlu h VAL 57 Ca -0.00 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2hlu h VAL 57 Cb 1.04 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2hlu h VAL 57 CO 0.08 0.25 0.24 -0.33 0.02 0.00 0.00 177.57 177.84 2hlu h GLU 58 N 0.58 0.54 0.27 1.57 5.08 -0.80 0.80 114.58 122.63 2hlu h GLU 58 Ca 0.15 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2hlu h GLU 58 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2hlu h GLU 58 CO -0.01 0.38 -0.13 0.00 -1.00 0.00 0.00 179.01 178.25 2hlu h ALA 59 N 1.72 -0.36 -0.76 3.43 0.00 -0.86 -3.34 119.26 119.09 2hlu h ALA 59 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2hlu h ALA 59 Cb -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2hlu h ALA 59 CO -0.03 -0.50 0.41 0.28 0.00 0.00 0.00 179.25 179.42 2hlu h VAL 60 N -0.77 1.23 0.00 0.00 2.07 -0.27 -2.35 116.25 116.16 2hlu h VAL 60 Ca -0.04 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2hlu h VAL 60 Cb 0.50 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2hlu h VAL 60 CO 0.06 0.26 0.00 0.07 0.02 0.00 0.00 177.57 177.98 2hlu h LYS 61 N 1.06 0.00 0.00 1.57 2.10 -1.00 -0.74 116.57 119.56 2hlu h LYS 61 Ca 0.27 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.84 2hlu h LYS 61 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2hlu h LYS 61 CO -0.04 0.00 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.07 2hlu h ASN 62 N 0.00 0.00 -3.00 7.07 -1.24 -1.53 -3.48 115.58 113.40 2hlu h ASN 62 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.13 2hlu h ASN 62 Cb 0.18 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 2hlu h ASN 62 CO 0.00 0.37 -0.16 0.61 -1.29 0.00 0.00 177.43 176.96 2hlu n GLY 63 N -0.08 -1.77 3.73 1.57 0.00 -0.28 -4.70 105.19 103.65 2hlu n GLY 63 Ca -0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.51 3.90 0.16 1.61 1.04 -1.26 -4.89 113.70 109.75 2hlu s SER 64 Ca 0.00 1.72 0.05 0.00 0.48 0.00 0.00 55.95 58.19 2hlu s SER 64 Cb 0.00 -2.38 0.26 0.00 0.10 0.00 0.00 66.02 64.00 2hlu s SER 64 CO 0.00 -2.40 0.94 -2.65 0.98 0.00 0.00 173.24 170.10 2hlu n PRO 65 N -3.75 0.04 0.00 4.02 -0.02 -1.26 -1.40 135.00 132.62 2hlu n PRO 65 Ca 0.08 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 2hlu n PRO 65 Cb 0.54 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 2hlu n PRO 65 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2hlu n PHE 66 N -1.60 0.00 -1.96 6.00 3.72 -1.26 -5.04 117.46 117.32 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 0.36 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.33 4.28 -0.36 4.37 0.01 -0.49 -4.93 113.70 115.26 2hlu s SER 67 Ca 0.04 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.92 2hlu s SER 67 Cb 0.05 -1.04 0.14 0.00 0.21 0.00 0.00 66.02 65.39 2hlu s SER 67 CO 0.22 -2.02 0.23 -0.75 0.41 0.00 0.00 173.24 171.32 2hlu s LYS 68 N -5.58 0.60 0.31 12.44 2.20 0.28 -4.85 119.74 125.14 2hlu s LYS 68 Ca 0.64 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 2hlu s LYS 68 Cb -0.09 -1.32 -0.11 0.00 -1.51 0.00 0.00 37.83 34.79 2hlu s LYS 68 CO 0.49 -1.23 1.58 1.55 -0.36 0.00 0.00 175.35 177.38 2hlu n VAL 69 N 3.88 1.20 0.00 4.02 3.14 -1.26 -0.90 118.33 128.41 2hlu n VAL 69 Ca 0.14 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2hlu n VAL 69 Cb 0.38 -1.98 -0.00 0.00 -1.06 0.00 0.00 33.84 31.19 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 1.83 0.00 -3.66 1.55 -2.24 -0.02 -4.93 114.28 106.81 2hlu n THR 70 Ca 0.07 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2hlu n THR 70 Cb 0.37 0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.66 -0.46 -0.03 3.42 2.15 -0.99 -5.00 116.67 114.10 2hlu s ASP 71 Ca -0.00 0.62 -0.08 0.00 0.43 0.00 0.00 52.55 53.52 2hlu s ASP 71 Cb 0.00 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 2hlu s ASP 71 CO 0.00 -0.40 0.19 -0.51 -0.17 0.00 0.00 175.17 174.28 2hlu s ILE 72 N -0.72 0.04 0.02 4.11 2.07 -1.26 -0.92 121.20 124.54 2hlu s ILE 72 Ca -0.08 -0.35 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 2hlu s ILE 72 Cb -0.03 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 2hlu s ILE 72 CO 0.05 -0.20 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.42 2hlu s SER 73 N -0.70 0.24 0.01 4.50 0.01 -0.24 -4.99 113.70 112.52 2hlu s SER 73 Ca -0.08 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2hlu s SER 73 Cb -0.05 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 2hlu s SER 73 CO 0.01 -0.32 -0.02 -0.69 0.41 0.00 0.00 173.24 172.63 2hlu s VAL 74 N -1.59 0.16 -0.15 3.43 1.01 -1.26 -1.03 120.40 120.97 2hlu s VAL 74 Ca -0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2hlu s VAL 74 Cb -0.09 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.15 2hlu s VAL 74 CO -0.01 -0.13 0.07 -0.89 0.00 0.00 0.00 175.10 174.14 2hlu s THR 75 N -0.48 0.01 0.63 3.92 2.01 -0.03 -5.00 115.64 116.69 2hlu s THR 75 Ca -0.04 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 2hlu s THR 75 Cb -0.04 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 2hlu s THR 75 CO -0.00 -0.17 1.05 -1.83 -0.69 0.00 0.00 174.62 172.98 2hlu s GLU 76 N 2.10 3.22 0.28 4.92 -1.05 -1.26 -0.77 118.70 126.14 2hlu s GLU 76 Ca 0.02 1.07 -0.20 0.00 -0.15 0.00 0.00 54.97 55.71 2hlu s GLU 76 Cb -0.15 -2.03 0.05 0.00 -0.44 0.00 0.00 34.13 31.56 2hlu s GLU 76 CO -0.08 -0.88 0.85 -1.12 0.95 0.00 0.00 175.26 174.99 2hlu s SER 77 N -3.27 -0.09 -0.11 0.83 0.01 -0.18 -4.90 113.70 106.00 2hlu s SER 77 Ca 0.61 -0.80 0.15 0.00 1.31 0.00 0.00 55.95 57.21 2hlu s SER 77 Cb -0.14 0.69 0.31 0.00 0.21 0.00 0.00 66.02 67.09 2hlu s SER 77 CO 0.44 -1.34 1.15 0.54 0.41 0.00 0.00 173.24 174.45 2hlu n ARG 78 N -0.54 0.88 -2.45 12.44 1.74 -1.26 -1.83 116.66 125.64 2hlu n ARG 78 Ca -0.06 -2.42 -0.43 0.00 -0.77 0.00 0.00 57.85 54.17 2hlu n ARG 78 Cb 0.60 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2hlu n SER 79 N -0.65 4.88 -4.69 0.55 7.64 -1.26 -4.96 113.62 115.13 2hlu n SER 79 Ca 0.12 -2.99 -0.42 0.00 1.01 0.00 0.00 58.87 56.59 2hlu n SER 79 Cb 0.78 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2hlu n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hlu s LEU 80 N 1.56 4.37 -1.39 -3.43 1.43 -1.26 -4.89 118.68 115.07 2hlu s LEU 80 Ca 0.44 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.96 2hlu s LEU 80 Cb 0.06 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2hlu s LEU 80 CO -0.00 -0.92 2.42 -0.62 0.23 0.00 0.00 176.35 177.46 2hlu n GLU 81 N 5.73 2.91 0.00 1.70 -0.58 -1.26 -4.74 120.64 124.39 2hlu n GLU 81 Ca 0.16 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.62 2hlu n GLU 81 Cb 0.40 -3.02 0.00 0.00 -0.57 0.00 0.00 31.44 28.25 2hlu n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hlu n GLY 82 N 3.95 -0.20 3.43 0.62 0.00 -1.26 -4.42 105.19 107.31 2hlu n GLY 82 Ca 0.60 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 2hlu n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hlu n HIS 83 N -0.33 -1.32 0.19 1.61 8.25 -1.26 -4.94 115.22 117.43 2hlu n HIS 83 Ca 0.00 0.25 0.05 0.00 -0.26 0.00 0.00 57.72 57.76 2hlu n HIS 83 Cb 0.03 -1.80 0.39 0.00 1.12 0.00 0.00 29.99 29.73 2hlu n HIS 83 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2hlu h HIS 84 N -1.53 0.00 -3.96 4.41 -0.00 -1.99 -3.45 115.15 108.63 2hlu h HIS 84 Ca -0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 59.82 2hlu h HIS 84 Cb 1.28 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.57 2hlu h HIS 84 CO 0.39 0.36 -0.33 -0.98 -0.00 0.00 0.00 177.93 177.37 2hlu s ARG 85 N -3.89 1.26 0.28 5.26 1.70 -1.26 -4.97 118.95 117.33 2hlu s ARG 85 Ca -0.01 -1.28 -0.16 0.00 -0.47 0.00 0.00 55.73 53.81 2hlu s ARG 85 Cb 0.13 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.80 2hlu s ARG 85 CO 0.69 -0.47 0.71 0.12 -1.08 0.00 0.00 175.30 175.27 2hlu s PHE 86 N -4.02 3.46 0.06 5.89 5.36 -1.22 -2.61 117.98 124.91 2hlu s PHE 86 Ca 0.22 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2hlu s PHE 86 Cb 0.03 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 2hlu s PHE 86 CO 0.04 0.19 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.83 2hlu s SER 87 N -2.09 0.68 -0.03 6.13 0.01 -0.14 -4.88 113.70 113.38 2hlu s SER 87 Ca 0.50 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2hlu s SER 87 Cb -0.12 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2hlu s SER 87 CO 0.19 -0.52 0.05 -0.63 0.41 0.00 0.00 173.24 172.74 2hlu s ILE 88 N -3.51 4.57 -0.08 1.44 1.01 -1.26 -1.11 121.20 122.25 2hlu s ILE 88 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.36 2hlu s ILE 88 Cb 0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 2hlu s ILE 88 CO -0.07 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 2hlu s VAL 89 N -1.10 2.50 -1.37 2.92 1.01 -0.40 -4.92 120.40 119.04 2hlu s VAL 89 Ca 0.20 -0.89 0.25 0.00 0.00 0.00 0.00 61.98 61.54 2hlu s VAL 89 Cb -0.12 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.37 2hlu s VAL 89 CO 0.10 0.56 1.38 -1.22 0.00 0.00 0.00 175.10 175.93 2hlu n TYR 90 N 3.08 0.00 0.12 5.22 4.01 -1.26 -4.39 117.16 123.94 2hlu n TYR 90 Ca -0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.57 2hlu n TYR 90 Cb 0.52 -0.15 0.06 0.00 -0.31 0.00 0.00 39.34 39.46 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83