#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 0.76 -0.01 4.03 2.96 -0.11 -4.90 118.68 121.41 2hlu s LEU 2 Ca 0.00 -1.16 -0.10 0.00 -0.22 0.00 0.00 54.13 52.65 2hlu s LEU 2 Cb 0.00 1.04 0.01 0.00 0.50 0.00 0.00 46.19 47.74 2hlu s LEU 2 CO 0.00 -0.98 0.20 -1.58 -1.32 0.00 0.00 176.35 172.67 2hlu s GLN 3 N -4.09 0.51 0.18 1.98 0.74 -0.91 -1.44 119.66 116.63 2hlu s GLN 3 Ca 0.31 -0.24 -0.03 0.00 0.05 0.00 0.00 55.36 55.45 2hlu s GLN 3 Cb 0.03 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 2hlu s GLN 3 CO 0.10 -0.13 0.15 1.52 -0.55 0.00 0.00 175.29 176.38 2hlu s TYR 4 N -1.17 0.94 -0.03 1.67 -0.85 -0.27 -1.18 117.35 116.46 2hlu s TYR 4 Ca -0.12 -1.23 0.04 0.00 -0.52 0.00 0.00 57.07 55.23 2hlu s TYR 4 Cb -0.06 -0.43 -0.00 0.00 0.38 0.00 0.00 41.96 41.84 2hlu s TYR 4 CO 0.02 -0.64 -0.14 0.50 -1.52 0.00 0.00 175.55 173.78 2hlu s ARG 5 N -4.10 1.31 -0.00 -3.49 3.52 -0.21 -1.62 118.95 114.35 2hlu s ARG 5 Ca 0.31 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.47 2hlu s ARG 5 Cb 0.06 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 32.25 2hlu s ARG 5 CO 0.08 0.22 -0.12 0.42 -0.81 0.00 0.00 175.30 175.09 2hlu s ILE 6 N -0.03 0.94 -0.02 4.11 1.01 0.21 -0.43 121.20 126.99 2hlu s ILE 6 Ca -0.01 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2hlu s ILE 6 Cb -0.09 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2hlu s ILE 6 CO 0.01 0.22 -0.23 -0.63 0.00 0.00 0.00 174.94 174.31 2hlu s ILE 7 N -0.37 2.36 0.00 2.92 -1.09 -0.18 -0.58 121.20 124.26 2hlu s ILE 7 Ca 0.04 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2hlu s ILE 7 Cb -0.05 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2hlu s ILE 7 CO -0.00 0.56 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.50 2hlu s VAL 8 N -0.67 0.61 0.04 2.92 1.01 -0.32 -1.04 120.40 122.96 2hlu s VAL 8 Ca 0.11 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2hlu s VAL 8 Cb -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2hlu s VAL 8 CO -0.00 0.10 -0.07 -0.62 0.00 0.00 0.00 175.10 174.51 2hlu s ASP 9 N -0.37 0.82 0.00 3.32 2.15 -0.21 -1.48 116.67 120.90 2hlu s ASP 9 Ca 0.02 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.42 2hlu s ASP 9 Cb -0.04 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 2hlu s ASP 9 CO -0.00 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2hlu n GLY 10 N 1.37 0.81 3.52 2.66 0.00 -1.26 -0.74 105.19 111.55 2hlu n GLY 10 Ca -0.22 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2hlu n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hlu n ARG 11 N 0.00 2.95 0.00 1.61 0.63 0.17 -4.48 116.66 117.54 2hlu n ARG 11 Ca 0.00 -3.12 0.00 0.00 -0.92 0.00 0.00 57.85 53.81 2hlu n ARG 11 Cb 0.00 -3.51 0.00 0.00 0.45 0.00 0.00 32.46 29.40 2hlu n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2hlu n VAL 12 N 6.49 0.32 -4.28 5.15 0.24 -1.26 -1.07 118.33 123.92 2hlu n VAL 12 Ca 0.49 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 62.22 2hlu n VAL 12 Cb 0.46 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.32 1.17 0.00 7.34 -0.21 -1.26 -4.30 119.66 122.08 2hlu s GLN 13 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.83 2hlu s GLN 13 Cb 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.42 2hlu s GLN 13 CO 0.00 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 2hlu n GLY 14 N -0.29 1.43 3.75 3.09 0.00 -1.26 -4.91 105.19 107.00 2hlu n GLY 14 Ca -0.08 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.42 -0.09 1.61 -7.23 -1.26 -4.92 120.40 110.93 2hlu s VAL 15 Ca 0.00 0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2hlu s VAL 15 Cb 0.00 -3.14 0.07 0.00 0.56 0.00 0.00 36.38 33.86 2hlu s VAL 15 CO 0.00 -0.02 1.80 0.61 -0.31 0.00 0.00 175.10 177.18 2hlu n GLY 16 N 0.63 2.82 0.36 2.32 0.00 -1.26 -4.64 105.19 105.43 2hlu n GLY 16 Ca 0.11 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.91 0.47 -0.90 1.61 3.57 -1.92 -0.35 116.94 120.33 2hlu h PHE 17 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2hlu h PHE 17 Cb 1.04 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 2hlu h PHE 17 CO 0.36 0.22 0.59 0.00 -2.23 0.00 0.00 178.31 177.24 2hlu h ARG 18 N 0.43 1.03 -0.25 1.11 3.08 -1.83 0.39 114.38 118.35 2hlu h ARG 18 Ca 0.30 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 2hlu h ARG 18 Cb 0.59 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2hlu h ARG 18 CO -0.09 0.68 -0.56 1.88 -1.07 0.00 0.00 179.97 180.82 2hlu h TYR 19 N 1.06 0.96 0.02 3.04 0.05 -1.46 -0.73 116.97 119.91 2hlu h TYR 19 Ca 0.38 -0.35 0.02 0.00 0.05 0.00 0.00 58.73 58.83 2hlu h TYR 19 Cb 0.13 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2hlu h TYR 19 CO -0.00 1.14 -0.11 0.35 -1.05 0.00 0.00 178.16 178.49 2hlu h PHE 20 N 0.58 -0.29 -0.94 4.88 3.57 -0.91 -1.20 116.94 122.64 2hlu h PHE 20 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2hlu h PHE 20 Cb 1.15 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 2hlu h PHE 20 CO 0.06 -0.17 0.62 0.28 -2.23 0.00 0.00 178.31 176.87 2hlu h VAL 21 N -0.20 1.23 -0.24 1.41 2.07 -0.93 -0.77 116.25 118.82 2hlu h VAL 21 Ca 0.04 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2hlu h VAL 21 Cb 0.25 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2hlu h VAL 21 CO -0.10 0.23 0.02 -0.61 0.02 0.00 0.00 177.57 177.13 2hlu h GLN 22 N 1.26 0.10 -0.21 1.57 5.75 -0.52 -0.43 115.11 122.62 2hlu h GLN 22 Ca 0.35 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.67 2hlu h GLN 22 Cb -0.13 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 2hlu h GLN 22 CO -0.08 0.06 -0.57 0.52 -2.65 0.00 0.00 178.83 176.11 2hlu h MET 23 N 0.10 0.68 -0.03 1.69 2.86 -0.82 -1.21 114.93 118.20 2hlu h MET 23 Ca 0.11 -0.44 -0.09 0.00 -2.06 0.00 0.00 59.70 57.22 2hlu h MET 23 Cb 0.13 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2hlu h MET 23 CO -0.17 1.06 -0.40 0.93 1.06 0.00 0.00 176.91 179.39 2hlu h GLU 24 N 0.51 0.05 -0.14 1.72 4.39 -0.94 -0.76 114.58 119.42 2hlu h GLU 24 Ca 0.00 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2hlu h GLU 24 Cb 1.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2hlu h GLU 24 CO 0.12 0.45 -0.36 0.00 -1.16 0.00 0.00 179.01 178.06 2hlu h ALA 25 N 1.55 0.24 -0.35 3.43 0.00 -0.91 -3.26 119.26 119.97 2hlu h ALA 25 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2hlu h ALA 25 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hlu h ALA 25 CO 0.05 0.31 0.06 0.22 0.00 0.00 0.00 179.25 179.89 2hlu h ASP 26 N 0.11 0.55 0.26 0.00 3.58 -0.86 -1.13 116.42 118.93 2hlu h ASP 26 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2hlu h ASP 26 Cb 0.97 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2hlu h ASP 26 CO 0.08 0.66 0.00 0.07 -2.88 0.00 0.00 179.24 177.17 2hlu h LYS 27 N 0.41 0.00 -0.38 0.28 5.09 -1.28 -0.92 116.57 119.77 2hlu h LYS 27 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 2hlu h LYS 27 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 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 -2.41 2.69 -3.24 0.07 3.00 -0.70 -4.99 116.66 111.08 2hlu n ARG 28 Ca -0.01 -2.08 -0.21 0.00 -0.00 0.00 0.00 57.85 55.55 2hlu n ARG 28 Cb 0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 32.46 31.24 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 0.71 -2.99 -1.63 -0.14 5.02 -0.35 -4.97 118.16 113.80 2hlu n LYS 29 Ca 0.13 0.41 -0.29 0.00 -2.02 0.00 0.00 58.31 56.54 2hlu n LYS 29 Cb 0.45 -5.07 0.11 0.00 -0.02 0.00 0.00 35.03 30.50 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 -6.26 2.32 0.04 -0.35 1.43 -0.61 -5.02 118.68 110.22 2hlu s LEU 30 Ca 0.34 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2hlu s LEU 30 Cb -0.18 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2hlu s LEU 30 CO 0.41 -2.19 -0.04 0.00 0.23 0.00 0.00 176.35 174.77 2hlu s ALA 31 N -3.31 0.34 0.00 4.21 0.00 -1.17 -3.69 121.76 118.14 2hlu s ALA 31 Ca 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2hlu s ALA 31 Cb -0.14 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2hlu s ALA 31 CO 0.53 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2hlu n GLY 32 N 1.11 0.71 3.24 0.00 0.00 -0.76 -1.22 105.19 108.27 2hlu n GLY 32 Ca -0.21 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.68 0.67 0.03 1.61 -2.14 0.06 -1.05 118.94 114.44 2hlu s TRP 33 Ca 0.00 -1.03 0.05 0.00 2.66 0.00 0.00 56.10 57.78 2hlu s TRP 33 Cb 0.00 -0.29 -0.02 0.00 -3.10 0.00 0.00 33.47 30.06 2hlu s TRP 33 CO 0.00 -0.62 -0.14 0.54 -2.66 0.00 0.00 176.95 174.06 2hlu s VAL 34 N -4.02 1.14 0.11 -0.66 0.11 -0.31 -1.02 120.40 115.76 2hlu s VAL 34 Ca 0.22 -0.94 -0.15 0.00 -2.93 0.00 0.00 61.98 58.18 2hlu s VAL 34 Cb 0.05 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2hlu s VAL 34 CO 0.02 0.07 0.37 -1.59 -3.33 0.00 0.00 175.10 170.63 2hlu s LYS 35 N -1.00 1.02 0.45 1.54 -2.85 0.17 -1.27 119.74 117.80 2hlu s LYS 35 Ca 0.03 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.03 2hlu s LYS 35 Cb -0.07 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 2hlu s LYS 35 CO 0.01 -0.38 1.34 1.21 0.10 0.00 0.00 175.35 177.63 2hlu s ASN 36 N -2.75 5.94 -0.04 0.03 3.84 -1.25 -1.19 114.94 119.52 2hlu s ASN 36 Ca 0.03 2.74 0.03 0.00 0.21 0.00 0.00 52.86 55.86 2hlu s ASN 36 Cb 0.02 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 38.05 2hlu s ASN 36 CO -0.11 -1.11 -0.12 -0.60 -2.79 0.00 0.00 177.10 172.37 2hlu s ARG 37 N -2.48 2.54 0.49 0.43 3.52 0.14 -4.74 118.95 118.85 2hlu s ARG 37 Ca 0.62 -0.68 0.19 0.00 -0.13 0.00 0.00 55.73 55.73 2hlu s ARG 37 Cb -0.40 -2.43 1.22 0.00 -1.56 0.00 0.00 34.95 31.79 2hlu s ARG 37 CO 0.50 0.63 2.06 0.22 -0.81 0.00 0.00 175.30 177.90 2hlu h ASP 38 N 5.19 0.00 0.53 -2.12 3.58 -1.97 -0.37 116.42 121.26 2hlu h ASP 38 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2hlu h ASP 38 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2hlu h ASP 38 CO 0.51 0.12 0.00 -0.90 -2.88 0.00 0.00 179.24 176.09 2hlu n ASP 39 N -4.17 0.00 0.00 2.28 5.75 -1.26 -4.87 116.55 114.28 2hlu n ASP 39 Ca -0.02 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 2hlu n ASP 39 Cb 0.20 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 2hlu n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hlu n GLY 40 N 0.31 0.76 3.95 6.12 0.00 -0.15 -5.11 105.19 111.07 2hlu n GLY 40 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.48 0.93 -0.02 1.61 3.00 -1.21 -4.86 118.95 117.91 2hlu s ARG 41 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 55.73 55.13 2hlu s ARG 41 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 34.95 32.93 2hlu s ARG 41 CO 0.00 -2.14 -0.10 0.08 0.00 0.00 0.00 175.30 173.14 2hlu s VAL 42 N -3.67 3.40 -0.04 3.52 1.01 -0.55 -0.68 120.40 123.39 2hlu s VAL 42 Ca 0.72 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2hlu s VAL 42 Cb -0.04 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2hlu s VAL 42 CO 0.50 0.49 -0.19 -0.70 0.00 0.00 0.00 175.10 175.21 2hlu s GLU 43 N -1.08 2.41 -0.00 2.72 2.12 -0.33 -1.17 118.70 123.35 2hlu s GLU 43 Ca 0.14 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.73 2hlu s GLU 43 Cb -0.11 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2hlu s GLU 43 CO 0.04 0.57 -0.16 0.42 -0.54 0.00 0.00 175.26 175.59 2hlu s ILE 44 N -0.61 1.27 -0.11 -3.70 1.01 0.26 -0.66 121.20 118.66 2hlu s ILE 44 Ca 0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 2hlu s ILE 44 Cb -0.11 -1.07 0.05 0.00 0.01 0.00 0.00 42.46 41.34 2hlu s ILE 44 CO 0.00 0.31 0.22 -0.22 0.00 0.00 0.00 174.94 175.25 2hlu s LEU 45 N -0.50 -0.02 0.01 2.97 0.20 -0.19 -0.62 118.68 120.53 2hlu s LEU 45 Ca 0.06 0.48 -0.06 0.00 0.69 0.00 0.00 54.13 55.30 2hlu s LEU 45 Cb -0.06 0.55 -0.00 0.00 -0.43 0.00 0.00 46.19 46.24 2hlu s LEU 45 CO -0.00 -0.22 0.11 0.00 -0.29 0.00 0.00 176.35 175.95 2hlu s ALA 46 N 2.07 -0.23 0.15 5.97 0.00 -0.64 -0.76 121.76 128.33 2hlu s ALA 46 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.79 2hlu s ALA 46 Cb -0.12 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2hlu s ALA 46 CO -0.07 -0.22 -0.24 -1.83 0.00 0.00 0.00 175.76 173.39 2hlu s GLU 47 N -1.61 1.39 0.00 0.00 -1.05 -0.36 -1.11 118.70 115.96 2hlu s GLU 47 Ca -0.13 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.29 2hlu s GLU 47 Cb -0.07 -1.75 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 2hlu s GLU 47 CO 0.00 0.39 0.00 0.41 0.95 0.00 0.00 175.26 177.02 2hlu n GLY 48 N 0.62 -2.04 3.65 -3.83 0.00 -0.52 -3.03 105.19 100.02 2hlu n GLY 48 Ca -0.16 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.46 1.44 -0.27 1.61 -0.02 -1.26 -0.94 135.00 135.10 2hlu n PRO 49 Ca 0.00 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 2hlu n PRO 49 Cb 0.00 -2.21 0.25 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.45 0.98 -0.25 -0.52 3.07 -1.91 -0.68 114.58 116.72 2hlu h GLU 50 Ca -0.47 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.26 2hlu h GLU 50 Cb 1.33 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2hlu h GLU 50 CO 0.56 0.65 -0.12 -0.97 -1.40 0.00 0.00 179.01 177.73 2hlu h ASN 51 N 1.01 0.53 -0.52 1.42 -1.24 -1.99 -1.30 115.58 113.49 2hlu h ASN 51 Ca 0.35 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2hlu h ASN 51 Cb 0.10 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 2hlu h ASN 51 CO -0.11 0.83 0.35 0.00 -1.29 0.00 0.00 177.43 177.20 2hlu h ALA 52 N 0.72 0.66 -0.71 1.57 0.00 -1.80 -1.61 119.26 118.09 2hlu h ALA 52 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2hlu h ALA 52 Cb 0.63 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2hlu h ALA 52 CO 0.04 0.11 0.25 -0.07 0.00 0.00 0.00 179.25 179.58 2hlu h LEU 53 N 0.71 1.01 -0.43 0.00 3.38 -1.09 -1.41 115.31 117.47 2hlu h LEU 53 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2hlu h LEU 53 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2hlu h LEU 53 CO -0.04 0.93 0.23 1.56 0.09 0.00 0.00 178.44 181.21 2hlu h GLN 54 N 1.03 0.59 -0.88 1.13 4.20 -0.78 0.06 115.11 120.47 2hlu h GLN 54 Ca 0.23 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.95 2hlu h GLN 54 Cb 0.26 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2hlu h GLN 54 CO -0.01 0.48 0.57 0.77 -0.67 0.00 0.00 178.83 179.97 2hlu h SER 55 N 0.55 0.84 0.08 1.46 0.02 -1.10 -1.50 113.55 113.90 2hlu h SER 55 Ca 0.15 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 2hlu h SER 55 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2hlu h SER 55 CO -0.02 0.52 -0.43 0.15 -1.14 0.00 0.00 176.83 175.91 2hlu h PHE 56 N 0.94 0.51 -0.42 3.45 3.57 -0.23 -0.72 116.94 124.03 2hlu h PHE 56 Ca 0.39 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2hlu h PHE 56 Cb 0.30 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2hlu h PHE 56 CO -0.00 0.79 0.19 0.28 -2.23 0.00 0.00 178.31 177.33 2hlu h VAL 57 N 0.35 1.19 -0.60 1.41 2.07 -0.24 0.47 116.25 120.90 2hlu h VAL 57 Ca 0.03 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2hlu h VAL 57 Cb 0.89 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2hlu h VAL 57 CO 0.08 0.21 0.40 -0.33 0.02 0.00 0.00 177.57 177.94 2hlu h GLU 58 N 0.54 0.79 0.07 1.57 5.08 -0.84 0.77 114.58 122.56 2hlu h GLU 58 Ca 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hlu h GLU 58 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2hlu h GLU 58 CO -0.02 0.53 -0.03 0.00 -1.00 0.00 0.00 179.01 178.49 2hlu h ALA 59 N 1.62 -0.10 -0.42 3.43 0.00 -0.85 -3.32 119.26 119.63 2hlu h ALA 59 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hlu h ALA 59 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2hlu h ALA 59 CO -0.05 -0.37 0.14 0.28 0.00 0.00 0.00 179.25 179.26 2hlu h VAL 60 N -0.47 1.21 0.00 0.00 2.07 -0.22 -2.96 116.25 115.89 2hlu h VAL 60 Ca -0.01 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2hlu h VAL 60 Cb 0.40 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2hlu h VAL 60 CO 0.02 0.25 -0.03 0.07 0.02 0.00 0.00 177.57 177.89 2hlu h LYS 61 N 0.54 0.00 0.00 1.57 2.10 -0.99 -0.66 116.57 119.13 2hlu h LYS 61 Ca 0.14 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.71 2hlu h LYS 61 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2hlu h LYS 61 CO -0.01 0.03 -0.35 -0.97 -2.00 0.00 0.00 179.45 176.15 2hlu h ASN 62 N 0.00 0.00 -3.12 7.07 -1.24 -1.61 -3.45 115.58 113.22 2hlu h ASN 62 Ca -0.00 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.10 2hlu h ASN 62 Cb 0.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 2hlu h ASN 62 CO 0.00 0.35 -0.12 0.61 -1.29 0.00 0.00 177.43 176.99 2hlu n GLY 63 N -0.09 -1.82 3.74 1.57 0.00 -0.26 -4.57 105.19 103.77 2hlu n GLY 63 Ca -0.01 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2hlu n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hlu s SER 64 N -4.21 4.32 0.45 1.61 0.01 -1.26 -4.85 113.70 109.78 2hlu s SER 64 Ca 0.00 2.12 0.27 0.00 1.31 0.00 0.00 55.95 59.65 2hlu s SER 64 Cb 0.00 -2.56 1.31 0.00 0.21 0.00 0.00 66.02 64.98 2hlu s SER 64 CO 0.00 -2.16 1.75 -0.65 0.41 0.00 0.00 173.24 172.59 2hlu h PRO 65 N -0.61 0.20 0.00 12.44 0.11 -1.98 -0.31 132.00 141.85 2hlu h PRO 65 Ca -0.46 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2hlu h PRO 65 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2hlu h PRO 65 CO 0.50 0.14 -0.48 0.74 -0.21 0.00 0.00 178.00 178.69 2hlu h PHE 66 N 0.21 0.00 -4.00 0.65 0.04 -1.95 -3.47 116.94 108.43 2hlu h PHE 66 Ca 0.63 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.96 2hlu h PHE 66 Cb 1.98 0.00 0.16 0.00 2.20 0.00 0.00 35.95 40.29 2hlu h PHE 66 CO -0.00 0.48 0.38 -1.12 -0.60 0.00 0.00 178.31 177.44 2hlu s SER 67 N -6.45 2.90 -0.28 2.17 0.01 -0.13 -5.05 113.70 106.87 2hlu s SER 67 Ca 0.02 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.62 2hlu s SER 67 Cb 0.09 -0.49 0.10 0.00 0.21 0.00 0.00 66.02 65.93 2hlu s SER 67 CO 0.73 -2.88 0.15 -0.75 0.41 0.00 0.00 173.24 170.90 2hlu s LYS 68 N -5.78 0.20 0.27 12.44 2.20 -0.24 -4.83 119.74 123.99 2hlu s LYS 68 Ca 0.72 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 2hlu s LYS 68 Cb -0.05 -1.16 -0.10 0.00 -1.51 0.00 0.00 37.83 35.01 2hlu s LYS 68 CO 0.53 -0.98 1.45 0.08 -0.36 0.00 0.00 175.35 176.07 2hlu s VAL 69 N 2.14 2.55 -0.01 4.02 1.01 -1.26 -0.65 120.40 128.20 2hlu s VAL 69 Ca 0.08 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2hlu s VAL 69 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2hlu s VAL 69 CO -0.33 0.08 0.05 0.35 0.00 0.00 0.00 175.10 175.24 2hlu n THR 70 N 2.05 0.02 -3.61 3.92 -2.24 0.08 -4.93 114.28 109.57 2hlu n THR 70 Ca 0.06 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2hlu n THR 70 Cb 0.40 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.39 -0.40 -0.07 3.42 2.15 -1.03 -4.99 116.67 113.36 2hlu s ASP 71 Ca -0.01 0.16 -0.13 0.00 0.43 0.00 0.00 52.55 53.00 2hlu s ASP 71 Cb 0.01 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 43.12 2hlu s ASP 71 CO 0.09 -0.67 0.32 -0.51 -0.17 0.00 0.00 175.17 174.23 2hlu s ILE 72 N -2.27 0.03 0.03 4.11 2.07 -1.26 -1.04 121.20 122.87 2hlu s ILE 72 Ca -0.06 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 2hlu s ILE 72 Cb -0.01 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 2hlu s ILE 72 CO -0.00 -0.13 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.41 2hlu s SER 73 N -0.57 0.43 0.02 4.50 0.01 -0.20 -5.00 113.70 112.88 2hlu s SER 73 Ca -0.07 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2hlu s SER 73 Cb -0.04 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 2hlu s SER 73 CO 0.02 -0.33 -0.04 -0.69 0.41 0.00 0.00 173.24 172.61 2hlu s VAL 74 N -1.85 0.27 0.02 3.43 1.01 -1.26 -1.01 120.40 121.00 2hlu s VAL 74 Ca -0.11 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2hlu s VAL 74 Cb -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2hlu s VAL 74 CO -0.02 -0.25 -0.07 -0.89 0.00 0.00 0.00 175.10 173.86 2hlu s THR 75 N -0.90 0.56 0.02 3.92 2.01 0.43 -4.99 115.64 116.68 2hlu s THR 75 Ca -0.08 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.35 2hlu s THR 75 Cb -0.07 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 2hlu s THR 75 CO -0.00 -0.06 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.13 2hlu s GLU 76 N -0.74 0.92 0.25 4.92 2.02 -1.26 -1.05 118.70 123.76 2hlu s GLU 76 Ca -0.02 -0.61 -0.12 0.00 0.02 0.00 0.00 54.97 54.24 2hlu s GLU 76 Cb -0.06 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.27 2hlu s GLU 76 CO 0.00 0.23 0.46 -1.12 0.02 0.00 0.00 175.26 174.86 2hlu s SER 77 N -0.78 -0.08 -0.10 -0.19 0.01 -0.33 -4.98 113.70 107.26 2hlu s SER 77 Ca 0.02 -0.95 0.22 0.00 1.31 0.00 0.00 55.95 56.55 2hlu s SER 77 Cb -0.06 0.58 0.44 0.00 0.21 0.00 0.00 66.02 67.19 2hlu s SER 77 CO 0.00 -1.13 1.17 0.54 0.41 0.00 0.00 173.24 174.24 2hlu n ARG 78 N -0.38 0.79 -2.72 12.44 5.12 -1.26 -2.14 116.66 128.51 2hlu n ARG 78 Ca -0.01 -2.62 -0.28 0.00 -1.93 0.00 0.00 57.85 53.01 2hlu n ARG 78 Cb 0.62 -0.70 -0.02 0.00 -1.16 0.00 0.00 32.46 31.20 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2hlu n SER 79 N -0.05 4.76 -4.48 0.55 7.64 -1.26 -5.00 113.62 115.78 2hlu n SER 79 Ca 0.10 -3.71 -0.47 0.00 1.01 0.00 0.00 58.87 55.81 2hlu n SER 79 Cb 1.00 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.34 0.07 0.01 -3.43 4.32 -1.26 -4.93 117.00 111.44 2hlu n LEU 80 Ca 0.35 1.15 -0.14 0.00 -0.02 0.00 0.00 56.01 57.35 2hlu n LEU 80 Cb 0.49 -1.10 -0.03 0.00 -1.62 0.00 0.00 43.42 41.16 2hlu n LEU 80 CO 0.35 -2.30 0.29 -0.33 -1.22 0.00 0.00 177.39 174.18 2hlu h GLU 81 N 1.43 0.62 -5.17 3.23 4.39 -1.97 -3.48 114.58 113.64 2hlu h GLU 81 Ca -0.33 -0.52 -0.41 0.00 0.34 0.00 0.00 59.36 58.45 2hlu h GLU 81 Cb 1.40 0.11 0.09 0.00 -0.10 0.00 0.00 28.75 30.24 2hlu h GLU 81 CO 0.59 1.14 -0.65 0.41 -1.16 0.00 0.00 179.01 179.34 2hlu n GLY 82 N 0.67 -0.53 3.77 -3.84 0.00 -1.26 -4.97 105.19 99.02 2hlu n GLY 82 Ca -0.06 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2hlu n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hlu s HIS 83 N -3.24 2.78 0.26 1.61 2.46 -1.26 -4.95 115.29 112.95 2hlu s HIS 83 Ca 0.44 1.52 0.16 0.00 0.47 0.00 0.00 55.06 57.66 2hlu s HIS 83 Cb -0.20 -3.42 0.68 0.00 -0.13 0.00 0.00 32.58 29.51 2hlu s HIS 83 CO 0.55 -1.68 1.75 0.45 -2.47 0.00 0.00 174.74 173.34 2hlu h HIS 84 N 1.88 0.00 -3.04 3.88 3.86 -1.95 -3.45 115.15 116.33 2hlu h HIS 84 Ca -0.50 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.70 2hlu h HIS 84 Cb 1.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 2hlu h HIS 84 CO 0.52 0.41 0.25 -0.98 0.86 0.00 0.00 177.93 178.99 2hlu s ARG 85 N -3.79 2.17 0.16 2.45 1.70 -1.26 -5.07 118.95 115.31 2hlu s ARG 85 Ca -0.01 -1.40 -0.23 0.00 -0.47 0.00 0.00 55.73 53.62 2hlu s ARG 85 Cb 0.12 0.62 -0.08 0.00 -0.57 0.00 0.00 34.95 35.04 2hlu s ARG 85 CO 0.70 -1.01 0.74 0.12 -1.08 0.00 0.00 175.30 174.77 2hlu s PHE 86 N -2.54 3.85 0.16 5.89 5.36 -1.24 -1.83 117.98 127.62 2hlu s PHE 86 Ca 0.15 1.54 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 2hlu s PHE 86 Cb -0.05 -2.70 -0.05 0.00 -0.34 0.00 0.00 43.02 39.88 2hlu s PHE 86 CO 0.11 0.49 -0.06 -1.12 -1.46 0.00 0.00 175.22 173.19 2hlu s SER 87 N -1.23 1.56 -0.14 6.13 0.01 -0.22 -4.89 113.70 114.92 2hlu s SER 87 Ca 0.36 -1.08 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 2hlu s SER 87 Cb -0.21 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2hlu s SER 87 CO 0.24 -0.43 0.03 -0.63 0.41 0.00 0.00 173.24 172.86 2hlu s ILE 88 N -3.46 4.54 0.09 1.44 1.01 -1.26 -1.16 121.20 122.39 2hlu s ILE 88 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2hlu s ILE 88 Cb 0.04 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2hlu s ILE 88 CO 0.01 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 2hlu s VAL 89 N -0.20 0.99 0.00 2.92 1.01 -0.39 -4.94 120.40 119.77 2hlu s VAL 89 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.56 2hlu s VAL 89 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2hlu s VAL 89 CO 0.02 -0.42 0.21 -1.22 0.00 0.00 0.00 175.10 173.68 2hlu n TYR 90 N 0.88 0.00 0.00 5.22 4.01 -1.26 -3.80 117.16 122.20 2hlu n TYR 90 Ca -0.18 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2hlu n TYR 90 Cb 0.56 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83