#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n PHE 2 N 0.00 -3.36 -2.92 1.12 3.72 -1.26 -3.88 117.46 110.88 2qao n PHE 2 Ca 0.00 1.36 -0.40 0.00 -0.05 0.00 0.00 57.45 58.36 2qao n PHE 2 Cb 0.00 -3.72 -0.06 0.00 -0.94 0.00 0.00 39.48 34.76 2qao n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qao s THR 3 N -2.43 4.34 -0.32 4.37 -4.23 -1.25 0.02 115.64 116.13 2qao s THR 3 Ca 0.27 1.79 0.01 0.00 -1.18 0.00 0.00 61.69 62.58 2qao s THR 3 Cb -0.06 -4.18 0.10 0.00 1.34 0.00 0.00 72.50 69.69 2qao s THR 3 CO 0.79 0.50 0.08 -0.63 -0.54 0.00 0.00 174.62 174.82 2qao s ILE 4 N -1.03 1.36 -0.14 2.99 1.01 0.62 -4.90 121.20 121.11 2qao s ILE 4 Ca 0.37 -1.74 -0.29 0.00 0.00 0.00 0.00 60.65 58.99 2qao s ILE 4 Cb -0.24 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 2qao s ILE 4 CO 0.27 -0.66 1.30 0.54 0.00 0.00 0.00 174.94 176.40 2qao s ASN 5 N 1.35 6.92 0.34 3.58 4.22 -1.26 0.60 114.94 130.69 2qao s ASN 5 Ca 0.10 1.76 -0.12 0.00 -2.14 0.00 0.00 52.86 52.46 2qao s ASN 5 Cb -0.18 -2.54 0.03 0.00 1.28 0.00 0.00 41.25 39.84 2qao s ASN 5 CO -0.19 -0.77 0.64 0.00 -2.04 0.00 0.00 177.10 174.74 2qao s ALA 6 N 3.46 -0.29 0.01 3.54 0.00 -1.02 -4.21 121.76 123.24 2qao s ALA 6 Ca 0.57 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 2qao s ALA 6 Cb -0.23 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2qao s ALA 6 CO 0.17 -0.92 0.16 -1.83 0.00 0.00 0.00 175.76 173.34 2qao s GLU 7 N -3.01 0.54 0.21 0.00 1.03 -1.26 -4.39 118.70 111.82 2qao s GLU 7 Ca 0.20 -0.44 -0.32 0.00 0.03 0.00 0.00 54.97 54.44 2qao s GLU 7 Cb -0.03 0.22 -0.12 0.00 -0.80 0.00 0.00 34.13 33.40 2qao s GLU 7 CO 0.13 -0.13 1.66 0.28 -1.33 0.00 0.00 175.26 175.86 2qao n VAL 8 N 1.28 0.20 -1.74 1.83 0.31 -1.26 0.09 118.33 119.04 2qao n VAL 8 Ca -0.22 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.65 2qao n VAL 8 Cb 0.56 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.65 2qao n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qao n ARG 9 N 3.47 2.30 0.07 5.55 5.12 0.31 -4.75 116.66 128.74 2qao n ARG 9 Ca 0.15 0.81 -0.17 0.00 -1.93 0.00 0.00 57.85 56.71 2qao n ARG 9 Cb 0.34 -2.55 -0.14 0.00 -1.16 0.00 0.00 32.46 28.94 2qao n ARG 9 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2qao h LYS 10 N 2.49 0.26 0.00 5.56 3.64 -1.91 -3.48 116.57 123.13 2qao h LYS 10 Ca -0.49 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 2qao h LYS 10 Cb 1.27 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2qao h LYS 10 CO 0.62 1.14 0.00 0.39 -2.27 0.00 0.00 179.45 179.33 2qao n GLU 11 N -3.47 0.44 -3.68 1.90 1.02 -1.26 -5.19 120.64 110.39 2qao n GLU 11 Ca -0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2qao n GLU 11 Cb 1.04 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.46 2qao n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qao s GLN 12 N 1.35 0.67 0.00 3.49 1.03 -1.26 -4.94 119.66 120.00 2qao s GLN 12 Ca 0.00 -0.37 0.00 0.00 0.04 0.00 0.00 55.36 55.03 2qao s GLN 12 Cb 0.00 0.22 0.00 0.00 0.03 0.00 0.00 33.01 33.26 2qao s GLN 12 CO 0.00 -0.31 0.00 0.41 -2.54 0.00 0.00 175.29 172.85 2qao n GLY 13 N -0.51 1.89 0.31 2.60 0.00 -1.26 -4.35 105.19 103.88 2qao n GLY 13 Ca -0.07 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.15 2qao n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qao h LYS 14 N 0.00 0.21 0.00 1.61 3.64 -2.02 -2.10 116.57 117.90 2qao h LYS 14 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qao h LYS 14 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2qao h LYS 14 CO 0.00 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 2qao n GLY 15 N -1.37 -2.73 0.41 5.01 0.00 -1.26 -2.25 105.19 103.00 2qao n GLY 15 Ca 0.23 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2qao n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qao h ALA 16 N -2.06 -0.63 -0.94 4.61 0.00 -1.74 -2.30 119.26 116.19 2qao h ALA 16 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2qao h ALA 16 Cb 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2qao h ALA 16 CO 0.00 -0.96 -0.51 0.77 0.00 0.00 0.00 179.25 178.55 2qao h SER 17 N -0.19 -1.86 -0.72 0.00 0.02 -1.51 0.53 113.55 109.82 2qao h SER 17 Ca 0.11 0.31 0.16 0.00 -0.84 0.00 0.00 61.79 61.54 2qao h SER 17 Cb 0.47 0.86 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 2qao h SER 17 CO -0.72 -0.27 0.49 -0.09 -1.14 0.00 0.00 176.83 175.11 2qao h ARG 18 N -0.04 0.27 -0.22 3.45 9.65 -0.96 -0.55 114.38 125.98 2qao h ARG 18 Ca 0.22 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.99 2qao h ARG 18 Cb 0.49 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2qao h ARG 18 CO -0.92 0.18 -0.23 0.00 2.80 0.00 0.00 179.97 181.80 2qao h ARG 19 N 0.27 0.55 -0.36 0.20 3.08 0.28 -3.17 114.38 115.23 2qao h ARG 19 Ca 0.35 -0.29 0.06 0.00 0.07 0.00 0.00 59.98 60.17 2qao h ARG 19 Cb 0.99 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.99 2qao h ARG 19 CO -0.08 0.88 0.01 -0.07 -1.07 0.00 0.00 179.97 179.63 2qao h LEU 20 N 0.24 -0.13 -1.76 3.04 3.38 0.11 -1.10 115.31 119.08 2qao h LEU 20 Ca 0.03 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2qao h LEU 20 Cb 0.78 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2qao h LEU 20 CO 0.06 -0.03 0.27 0.03 0.09 0.00 0.00 178.44 178.86 2qao h ARG 21 N 0.11 0.28 0.00 1.13 3.08 -1.46 0.21 114.38 117.73 2qao h ARG 21 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2qao h ARG 21 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qao h ARG 21 CO -0.29 0.19 -0.02 0.00 -1.07 0.00 0.00 179.97 178.78 2qao h ALA 22 N 1.79 1.31 -0.66 0.04 0.00 -1.16 -0.98 119.26 119.60 2qao h ALA 22 Ca 0.18 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.63 2qao h ALA 22 Cb 0.32 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.84 2qao h ALA 22 CO -0.04 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.09 2qao n ALA 23 N -2.24 5.07 0.00 0.00 0.00 0.74 -4.98 120.51 119.11 2qao n ALA 23 Ca -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.94 2qao n ALA 23 Cb 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2qao n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qao n ASN 24 N -0.92 0.00 -4.52 0.00 4.13 -0.37 -4.84 115.26 108.74 2qao n ASN 24 Ca 0.44 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.44 2qao n ASN 24 Cb 0.93 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 39.02 2qao n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qao n LYS 25 N 0.00 0.26 -3.31 3.52 5.02 -1.21 -3.18 118.16 119.25 2qao n LYS 25 Ca 0.00 -0.19 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 2qao n LYS 25 Cb 0.00 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 32.91 2qao n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qao s PHE 26 N 7.09 3.70 1.04 2.13 -0.12 -0.67 -3.31 117.98 127.84 2qao s PHE 26 Ca 1.20 1.12 -0.12 0.00 -0.05 0.00 0.00 56.93 59.08 2qao s PHE 26 Cb -0.70 -2.49 0.21 0.00 -0.63 0.00 0.00 43.02 39.41 2qao s PHE 26 CO 0.40 0.46 1.07 -1.25 -0.05 0.00 0.00 175.22 175.86 2qao s PRO 27 N -0.55 0.12 0.03 1.99 0.04 -1.25 -3.03 135.00 132.34 2qao s PRO 27 Ca 0.28 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2qao s PRO 27 Cb -0.18 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.74 2qao s PRO 27 CO 0.16 -2.99 0.85 0.00 0.04 0.00 0.00 177.00 175.05 2qao n ALA 28 N -4.39 -2.35 -2.62 8.56 0.00 -0.47 -4.01 120.51 115.23 2qao n ALA 28 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 2qao n ALA 28 Cb 0.56 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 2qao n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qao s ILE 29 N -2.10 0.10 -0.32 0.00 -5.25 -1.22 -2.55 121.20 109.86 2qao s ILE 29 Ca 0.20 -1.30 -0.02 0.00 -0.99 0.00 0.00 60.65 58.54 2qao s ILE 29 Cb -0.01 -1.60 0.12 0.00 2.95 0.00 0.00 42.46 43.92 2qao s ILE 29 CO 0.01 -0.47 0.17 -0.63 -1.79 0.00 0.00 174.94 172.23 2qao s ILE 30 N -3.92 0.10 0.35 8.37 1.01 -0.07 -1.46 121.20 125.58 2qao s ILE 30 Ca 0.11 -1.28 0.08 0.00 0.00 0.00 0.00 60.65 59.57 2qao s ILE 30 Cb 0.04 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 2qao s ILE 30 CO -0.05 -0.86 0.11 -0.72 0.00 0.00 0.00 174.94 173.41 2qao s TYR 31 N 1.55 2.65 0.00 3.97 -0.85 -0.80 -0.79 117.35 123.08 2qao s TYR 31 Ca 0.14 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 2qao s TYR 31 Cb -0.20 -1.62 0.00 0.00 0.38 0.00 0.00 41.96 40.53 2qao s TYR 31 CO -0.17 0.37 0.00 0.41 -1.52 0.00 0.00 175.55 174.64 2qao n GLY 32 N -1.10 2.45 7.00 5.49 0.00 -1.26 0.26 105.19 118.03 2qao n GLY 32 Ca -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2qao n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qao n GLY 33 N -1.20 2.60 0.11 -0.02 0.00 -1.26 -4.09 105.19 101.33 2qao n GLY 33 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2qao n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 34 N 13.66 0.56 -1.74 1.61 5.02 -1.26 -4.95 118.16 131.06 2qao n LYS 34 Ca 0.00 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 2qao n LYS 34 Cb 0.00 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2qao n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2qao n GLU 35 N -4.39 2.48 -1.02 1.97 0.28 -1.26 -4.98 120.64 113.73 2qao n GLU 35 Ca -0.36 0.87 -0.30 0.00 -0.16 0.00 0.00 57.16 57.21 2qao n GLU 35 Cb 0.70 -2.56 0.16 0.00 1.43 0.00 0.00 31.44 31.17 2qao n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qao s ALA 36 N -0.96 1.17 0.33 -1.84 0.00 -1.26 -4.30 121.76 114.89 2qao s ALA 36 Ca 0.55 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 2qao s ALA 36 Cb -0.51 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.24 2qao s ALA 36 CO 0.61 -2.68 0.90 -2.30 0.00 0.00 0.00 175.76 172.29 2qao n PRO 37 N -4.12 1.12 -3.84 0.00 -0.02 -1.26 -4.82 135.00 122.06 2qao n PRO 37 Ca 0.07 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 2qao n PRO 37 Cb 0.55 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 2qao n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qao s LEU 38 N 0.68 3.21 -0.41 2.45 2.96 0.03 -4.88 118.68 122.73 2qao s LEU 38 Ca 0.61 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 2qao s LEU 38 Cb -0.68 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2qao s LEU 38 CO 0.59 -0.06 0.59 0.00 -1.32 0.00 0.00 176.35 176.15 2qao s ALA 39 N 1.51 3.40 0.24 5.97 0.00 -1.26 -0.89 121.76 130.73 2qao s ALA 39 Ca 0.05 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2qao s ALA 39 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2qao s ALA 39 CO -0.01 -1.58 -0.08 0.96 0.00 0.00 0.00 175.76 175.05 2qao s ILE 40 N 2.65 1.55 -0.57 0.00 -0.00 -1.06 0.11 121.20 123.88 2qao s ILE 40 Ca 0.21 -2.14 0.05 0.00 -0.00 0.00 0.00 60.65 58.77 2qao s ILE 40 Cb -0.15 -2.26 0.18 0.00 -0.00 0.00 0.00 42.46 40.23 2qao s ILE 40 CO 0.17 -0.43 0.45 -1.84 -0.00 0.00 0.00 174.94 173.29 2qao n GLU 41 N -0.47 1.16 -2.37 0.37 0.28 0.11 -1.36 120.64 118.36 2qao n GLU 41 Ca -0.06 -3.91 -0.35 0.00 -0.16 0.00 0.00 57.16 52.68 2qao n GLU 41 Cb 0.62 -1.98 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 2qao n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qao s LEU 42 N -0.91 3.80 0.64 -1.84 2.34 -1.17 -4.22 118.68 117.32 2qao s LEU 42 Ca 0.30 2.08 -0.18 0.00 0.06 0.00 0.00 54.13 56.39 2qao s LEU 42 Cb 0.01 -4.56 -0.01 0.00 -0.56 0.00 0.00 46.19 41.07 2qao s LEU 42 CO -0.17 -1.03 1.25 -0.62 -1.06 0.00 0.00 176.35 174.72 2qao s ASP 43 N -1.84 4.77 0.00 1.48 -1.08 -1.26 -1.67 116.67 117.07 2qao s ASP 43 Ca 0.70 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 55.25 2qao s ASP 43 Cb -0.21 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2qao s ASP 43 CO 0.24 -1.88 0.16 1.57 0.52 0.00 0.00 175.17 175.78 2qao n HIS 44 N -1.88 0.00 -0.24 -5.34 -0.00 -1.19 -2.98 115.22 103.59 2qao n HIS 44 Ca 0.15 0.00 0.21 0.00 -0.00 0.00 0.00 57.72 58.07 2qao n HIS 44 Cb 0.49 0.00 0.38 0.00 -0.00 0.00 0.00 29.99 30.86 2qao n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qao n ASP 45 N -0.48 0.18 0.29 0.26 8.00 -1.26 0.72 116.55 124.24 2qao n ASP 45 Ca 0.00 1.23 -0.11 0.00 0.71 0.00 0.00 54.79 56.62 2qao n ASP 45 Cb 0.00 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.48 2qao n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qao h LYS 46 N 0.00 -0.70 0.00 -1.24 6.56 -1.98 -2.76 116.57 116.44 2qao h LYS 46 Ca 0.58 0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 60.18 2qao h LYS 46 Cb 1.48 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 33.30 2qao h LYS 46 CO -0.60 -0.47 -0.17 0.28 -2.06 0.00 0.00 179.45 176.43 2qao h VAL 47 N -0.78 0.64 -0.34 0.50 2.07 -0.83 -2.96 116.25 114.54 2qao h VAL 47 Ca -0.07 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2qao h VAL 47 Cb 0.56 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2qao h VAL 47 CO 0.12 0.17 0.19 -0.03 0.02 0.00 0.00 177.57 178.05 2qao h MET 48 N 0.00 0.48 0.00 1.57 -1.53 0.34 -2.48 114.93 113.30 2qao h MET 48 Ca -0.00 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 2qao h MET 48 Cb 0.47 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.43 2qao h MET 48 CO 0.02 0.39 -0.09 -0.91 0.14 0.00 0.00 176.91 176.46 2qao h ASN 49 N 0.44 0.00 -0.25 1.39 -0.26 -1.38 -3.25 115.58 112.27 2qao h ASN 49 Ca 0.12 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 2qao h ASN 49 Cb 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2qao h ASN 49 CO -0.02 0.09 -0.09 0.24 -1.06 0.00 0.00 177.43 176.59 2qao h MET 50 N 0.00 0.50 0.00 0.81 2.86 -1.32 -2.77 114.93 115.01 2qao h MET 50 Ca -0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2qao h MET 50 Cb 0.99 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2qao h MET 50 CO 0.01 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.72 2qao n GLN 51 N -4.52 0.19 0.28 1.72 -0.00 -0.96 -2.47 117.38 111.62 2qao n GLN 51 Ca -0.04 0.42 0.15 0.00 -0.00 0.00 0.00 57.00 57.53 2qao n GLN 51 Cb 0.32 -1.86 0.83 0.00 -0.00 0.00 0.00 30.24 29.54 2qao n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qao h ALA 52 N 2.27 1.30 -2.71 2.61 0.00 -1.52 -3.41 119.26 117.79 2qao h ALA 52 Ca 0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 2qao h ALA 52 Cb 0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2qao h ALA 52 CO 0.00 0.09 -0.00 0.15 0.00 0.00 0.00 179.25 179.48 2qao s LYS 53 N -4.28 4.25 0.62 0.00 -0.14 -1.03 -4.93 119.74 114.23 2qao s LYS 53 Ca -0.03 0.52 0.20 0.00 -1.36 0.00 0.00 55.97 55.30 2qao s LYS 53 Cb 0.13 -3.53 1.10 0.00 -1.68 0.00 0.00 37.83 33.86 2qao s LYS 53 CO 0.55 -0.09 1.60 0.00 -0.76 0.00 0.00 175.35 176.66 2qao h ALA 54 N 7.24 1.48 -0.10 5.17 0.00 -1.88 0.24 119.26 131.41 2qao h ALA 54 Ca -0.35 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2qao h ALA 54 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2qao h ALA 54 CO 0.75 -0.48 -0.58 0.93 0.00 0.00 0.00 179.25 179.88 2qao h GLU 55 N 0.00 0.32 -0.61 0.00 3.07 -1.91 -3.07 114.58 112.38 2qao h GLU 55 Ca 0.00 -0.21 0.18 0.00 -0.50 0.00 0.00 59.36 58.83 2qao h GLU 55 Cb 1.00 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 2qao h GLU 55 CO 0.00 0.81 0.56 0.35 -1.40 0.00 0.00 179.01 179.33 2qao h PHE 56 N 0.24 0.00 -0.76 4.33 3.57 -0.72 0.15 116.94 123.76 2qao h PHE 56 Ca -0.00 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.98 2qao h PHE 56 Cb 1.08 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.50 2qao h PHE 56 CO 0.03 0.00 -0.09 0.66 -2.23 0.00 0.00 178.31 176.68 2qao n TYR 57 N -3.86 2.61 0.00 0.41 4.02 -1.16 -4.60 117.16 114.58 2qao n TYR 57 Ca 0.12 -2.37 0.00 0.00 -0.01 0.00 0.00 57.90 55.64 2qao n TYR 57 Cb 0.80 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2qao n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qao n SER 58 N -0.87 0.00 -4.91 7.72 7.64 0.39 -5.03 113.62 118.56 2qao n SER 58 Ca 0.49 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 60.09 2qao n SER 58 Cb 0.90 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.11 2qao n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qao s GLU 59 N -1.13 3.59 -1.04 1.43 -6.30 -0.35 -5.00 118.70 109.91 2qao s GLU 59 Ca 0.00 -0.03 -0.23 0.00 -2.50 0.00 0.00 54.97 52.21 2qao s GLU 59 Cb 0.00 -2.60 -0.00 0.00 0.00 0.00 0.00 34.13 31.53 2qao s GLU 59 CO 0.00 0.13 1.74 0.08 0.02 0.00 0.00 175.26 177.23 2qao s VAL 60 N -2.25 3.72 1.04 3.70 1.01 -1.26 -4.72 120.40 121.63 2qao s VAL 60 Ca 0.44 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2qao s VAL 60 Cb -0.10 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.68 2qao s VAL 60 CO 0.34 -1.45 -0.12 0.18 0.00 0.00 0.00 175.10 174.05 2qao n LEU 61 N 11.50 -2.05 -3.68 3.92 4.77 0.06 -4.44 117.00 127.08 2qao n LEU 61 Ca 0.39 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 56.20 2qao n LEU 61 Cb 0.48 -0.97 -0.17 0.00 -2.33 0.00 0.00 43.42 40.43 2qao n LEU 61 CO 0.65 -3.51 -0.35 0.42 -1.33 0.00 0.00 177.39 173.28 2qao s THR 62 N -2.24 0.11 -0.25 -5.08 -4.23 0.10 0.13 115.64 104.18 2qao s THR 62 Ca 0.52 -0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.86 2qao s THR 62 Cb -0.13 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 73.09 2qao s THR 62 CO 0.68 -0.08 0.16 -0.63 -0.54 0.00 0.00 174.62 174.21 2qao s ILE 63 N 2.06 5.26 -0.27 2.99 1.09 -1.26 0.23 121.20 131.29 2qao s ILE 63 Ca 0.02 0.15 -0.14 0.00 -1.10 0.00 0.00 60.65 59.59 2qao s ILE 63 Cb -0.15 -3.47 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 2qao s ILE 63 CO -0.07 0.32 0.31 -0.69 -0.10 0.00 0.00 174.94 174.71 2qao s VAL 64 N 1.30 5.22 -0.06 2.92 1.01 0.20 -2.65 120.40 128.34 2qao s VAL 64 Ca 0.07 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 2qao s VAL 64 Cb -0.14 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2qao s VAL 64 CO 0.06 0.20 0.12 0.68 0.00 0.00 0.00 175.10 176.16 2qao s VAL 65 N 1.91 -0.17 -0.43 2.92 -7.23 0.18 -2.44 120.40 115.14 2qao s VAL 65 Ca 0.13 0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 2qao s VAL 65 Cb -0.16 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.55 2qao s VAL 65 CO 0.10 0.14 0.37 -0.67 -0.31 0.00 0.00 175.10 174.73 2qao n ASP 66 N 5.02 -3.38 0.00 4.85 -0.08 -1.26 -3.13 116.55 118.57 2qao n ASP 66 Ca -0.10 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 2qao n ASP 66 Cb 0.50 -1.93 0.00 0.00 2.34 0.00 0.00 41.12 42.03 2qao n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qao n GLY 67 N -0.98 2.56 0.56 0.27 0.00 -1.26 -4.93 105.19 101.41 2qao n GLY 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2qao n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qao n LYS 68 N -0.62 1.06 -3.81 1.61 2.85 -1.18 -5.10 118.16 112.97 2qao n LYS 68 Ca 0.00 -0.46 -0.09 0.00 -1.05 0.00 0.00 58.31 56.71 2qao n LYS 68 Cb 0.00 -0.01 0.03 0.00 -0.65 0.00 0.00 35.03 34.39 2qao n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qao s GLU 69 N -2.36 2.26 0.00 -1.58 1.03 -1.26 0.52 118.70 117.31 2qao s GLU 69 Ca 0.08 -1.47 0.00 0.00 0.03 0.00 0.00 54.97 53.60 2qao s GLU 69 Cb -0.01 0.63 0.00 0.00 -0.80 0.00 0.00 34.13 33.95 2qao s GLU 69 CO 0.05 -1.06 0.00 0.44 -1.33 0.00 0.00 175.26 173.36 2qao n ILE 70 N -0.54 0.00 -2.57 1.83 -0.00 -1.08 -4.95 119.36 112.05 2qao n ILE 70 Ca -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.62 2qao n ILE 70 Cb 0.60 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.64 39.84 2qao n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qao n LYS 71 N -1.50 -4.10 -4.17 6.28 5.02 -1.26 -4.85 118.16 113.58 2qao n LYS 71 Ca 0.00 3.15 -0.12 0.00 -2.02 0.00 0.00 58.31 59.32 2qao n LYS 71 Cb 0.23 -4.97 -0.09 0.00 -0.02 0.00 0.00 35.03 30.18 2qao n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qao s VAL 72 N -0.90 0.00 0.60 -0.18 -7.23 0.34 -4.24 120.40 108.79 2qao s VAL 72 Ca -0.20 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 2qao s VAL 72 Cb 0.01 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2qao s VAL 72 CO 0.76 0.00 0.87 -0.54 -0.31 0.00 0.00 175.10 175.88 2qao s LYS 73 N -4.12 2.55 -0.14 4.82 1.02 -1.12 -0.76 119.74 121.98 2qao s LYS 73 Ca 0.36 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.83 2qao s LYS 73 Cb 0.06 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 2qao s LYS 73 CO 0.12 -0.85 0.20 0.00 -0.92 0.00 0.00 175.35 173.90 2qao s ALA 74 N -2.95 3.73 0.00 5.17 0.00 -1.26 -1.68 121.76 124.77 2qao s ALA 74 Ca 0.57 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2qao s ALA 74 Cb -0.10 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2qao s ALA 74 CO 0.42 0.32 0.00 1.04 0.00 0.00 0.00 175.76 177.54 2qao n GLN 75 N 2.87 0.00 -0.79 0.00 1.13 0.16 -4.82 117.38 115.92 2qao n GLN 75 Ca -0.16 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2qao n GLN 75 Cb 0.53 -0.55 0.00 0.00 0.11 0.00 0.00 30.24 30.33 2qao n GLN 75 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qao n ASP 76 N -1.78 1.70 -3.64 1.08 4.64 -1.19 -4.96 116.55 112.41 2qao n ASP 76 Ca 0.00 -0.39 -0.03 0.00 -1.38 0.00 0.00 54.79 52.99 2qao n ASP 76 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 2qao n ASP 76 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qao s VAL 77 N -0.03 -0.02 -0.67 5.18 0.11 -1.26 -2.91 120.40 120.79 2qao s VAL 77 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 2qao s VAL 77 Cb 0.00 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 2qao s VAL 77 CO 0.00 0.00 0.51 -1.10 -3.33 0.00 0.00 175.10 171.18 2qao s GLN 78 N 1.42 2.80 0.93 1.54 -0.21 0.23 -4.96 119.66 121.41 2qao s GLN 78 Ca -0.09 -2.51 -0.15 0.00 0.02 0.00 0.00 55.36 52.63 2qao s GLN 78 Cb -0.04 -3.89 0.17 0.00 1.00 0.00 0.00 33.01 30.25 2qao s GLN 78 CO -0.16 -1.20 1.28 -0.98 -2.12 0.00 0.00 175.29 172.11 2qao s ARG 79 N 0.00 0.89 0.32 2.91 1.70 -1.26 -0.01 118.95 123.50 2qao s ARG 79 Ca 0.17 -0.25 -0.25 0.00 -0.47 0.00 0.00 55.73 54.93 2qao s ARG 79 Cb -0.18 -1.86 -0.10 0.00 -0.57 0.00 0.00 34.95 32.24 2qao s ARG 79 CO -0.05 -2.27 0.92 -1.58 -1.08 0.00 0.00 175.30 171.24 2qao s HIS 80 N -3.76 3.65 0.46 5.89 5.65 -0.86 -4.69 115.29 121.63 2qao s HIS 80 Ca 0.71 1.72 0.23 0.00 0.25 0.00 0.00 55.06 57.96 2qao s HIS 80 Cb -0.06 -2.88 1.24 0.00 -1.18 0.00 0.00 32.58 29.70 2qao s HIS 80 CO 0.52 0.20 1.88 -1.35 -0.65 0.00 0.00 174.74 175.33 2qao h PRO 81 N 3.08 0.24 0.00 2.88 0.11 -1.96 -3.33 132.00 133.01 2qao h PRO 81 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qao h PRO 81 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qao h PRO 81 CO 0.65 0.16 -0.06 2.48 -0.21 0.00 0.00 178.00 181.01 2qao n TYR 82 N -4.43 0.00 -4.94 0.65 0.18 -1.26 -5.11 117.16 102.25 2qao n TYR 82 Ca 0.18 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.68 2qao n TYR 82 Cb 0.78 0.21 -0.17 0.00 -0.38 0.00 0.00 39.34 39.78 2qao n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qao s LYS 83 N 0.00 2.32 -0.11 -3.48 1.02 -1.25 -5.04 119.74 113.20 2qao s LYS 83 Ca 0.00 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 2qao s LYS 83 Cb 0.00 -1.85 -0.34 0.00 -0.52 0.00 0.00 37.83 35.12 2qao s LYS 83 CO 0.00 0.16 1.56 -2.30 -0.92 0.00 0.00 175.35 173.86 2qao n PRO 84 N 3.49 0.01 -3.37 -1.68 -0.02 -1.26 -4.12 135.00 128.05 2qao n PRO 84 Ca -0.20 -1.00 -0.06 0.00 -2.02 0.00 0.00 63.50 60.23 2qao n PRO 84 Cb 0.52 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.49 2qao n PRO 84 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2qao n LYS 85 N 7.67 0.83 -4.52 -0.52 2.85 -1.26 -5.07 118.16 118.14 2qao n LYS 85 Ca 0.43 -1.68 -0.28 0.00 -1.05 0.00 0.00 58.31 55.73 2qao n LYS 85 Cb 0.41 2.13 -0.10 0.00 -0.65 0.00 0.00 35.03 36.83 2qao n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qao s LEU 86 N 0.00 2.86 0.02 -5.58 1.43 -1.26 -2.04 118.68 114.11 2qao s LEU 86 Ca 0.15 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2qao s LEU 86 Cb -0.04 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2qao s LEU 86 CO 0.08 -0.53 0.00 0.00 0.23 0.00 0.00 176.35 176.14 2qao n GLN 87 N -1.07 0.00 -3.66 1.70 6.02 0.98 -4.72 117.38 116.64 2qao n GLN 87 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 2qao n GLN 87 Cb 0.66 -0.13 -0.10 0.00 1.02 0.00 0.00 30.24 31.69 2qao n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qao s HIS 88 N -2.00 -0.73 -0.02 1.08 5.04 -1.05 -3.86 115.29 113.74 2qao s HIS 88 Ca 0.00 1.42 0.06 0.00 -1.54 0.00 0.00 55.06 55.00 2qao s HIS 88 Cb 0.00 0.24 -0.03 0.00 0.04 0.00 0.00 32.58 32.84 2qao s HIS 88 CO 0.00 -0.46 -0.18 0.96 -2.34 0.00 0.00 174.74 172.71 2qao s ILE 89 N 2.58 2.72 -0.14 0.89 -5.25 -1.26 0.75 121.20 121.50 2qao s ILE 89 Ca -0.01 -0.93 -0.14 0.00 -0.99 0.00 0.00 60.65 58.58 2qao s ILE 89 Cb -0.12 -2.05 -0.05 0.00 2.95 0.00 0.00 42.46 43.19 2qao s ILE 89 CO -0.12 0.54 0.33 -1.81 -1.79 0.00 0.00 174.94 172.08 2qao s ASP 90 N -0.84 6.50 -0.21 4.36 1.11 -1.15 -3.39 116.67 123.06 2qao s ASP 90 Ca 0.12 0.59 -0.01 0.00 0.18 0.00 0.00 52.55 53.43 2qao s ASP 90 Cb -0.10 -2.20 0.01 0.00 1.07 0.00 0.00 42.92 41.70 2qao s ASP 90 CO 0.01 0.11 -0.13 -0.36 1.18 0.00 0.00 175.17 175.98 2qao s PHE 91 N 0.32 2.90 -0.13 4.23 2.99 -0.53 0.35 117.98 128.11 2qao s PHE 91 Ca 0.19 -1.46 -0.14 0.00 0.00 0.00 0.00 56.93 55.52 2qao s PHE 91 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 43.02 40.84 2qao s PHE 91 CO 0.06 -0.72 0.31 0.54 -0.00 0.00 0.00 175.22 175.41 2qao s VAL 92 N 1.34 5.27 0.17 -0.44 0.11 -0.67 -1.90 120.40 124.29 2qao s VAL 92 Ca 0.04 0.60 -0.33 0.00 -2.93 0.00 0.00 61.98 59.35 2qao s VAL 92 Cb -0.14 -3.64 -0.15 0.00 -1.53 0.00 0.00 36.38 30.92 2qao s VAL 92 CO -0.08 0.43 1.38 0.54 -3.33 0.00 0.00 175.10 174.03 2qao n ARG 93 N 3.23 1.68 0.00 1.54 5.12 0.14 -2.81 116.66 125.56 2qao n ARG 93 Ca -0.12 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 2qao n ARG 93 Cb 0.52 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 2qao n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70