#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhy s GLN 2 N 0.00 2.94 -0.20 -0.52 0.74 -1.26 -5.11 119.66 116.25 2qhy s GLN 2 Ca 0.00 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.62 2qhy s GLN 2 Cb 0.00 -2.37 0.04 0.00 1.10 0.00 0.00 33.01 31.78 2qhy s GLN 2 CO 0.00 0.30 -0.14 0.42 -0.55 0.00 0.00 175.29 175.32 2qhy s ILE 3 N 0.06 1.91 0.84 -2.34 1.01 -1.26 -5.12 121.20 116.31 2qhy s ILE 3 Ca -0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 2qhy s ILE 3 Cb -0.15 -1.88 0.10 0.00 0.01 0.00 0.00 42.46 40.54 2qhy s ILE 3 CO 0.05 0.29 1.15 0.42 0.00 0.00 0.00 174.94 176.85 2qhy s THR 4 N 1.30 2.19 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.39 2qhy s THR 4 Ca -0.00 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.75 2qhy s THR 4 Cb -0.16 -2.93 0.38 0.00 1.34 0.00 0.00 72.50 71.13 2qhy s THR 4 CO -0.09 -0.08 1.25 0.18 -0.54 0.00 0.00 174.62 175.34 2qhy n LEU 5 N -3.50 2.92 -0.21 4.79 4.77 -1.26 -4.57 117.00 119.94 2qhy n LEU 5 Ca 0.07 -3.06 0.05 0.00 -0.03 0.00 0.00 56.01 53.04 2qhy n LEU 5 Cb 0.60 -0.47 0.31 0.00 -2.33 0.00 0.00 43.42 41.52 2qhy n LEU 5 CO 0.57 0.70 1.23 -0.50 -1.33 0.00 0.00 177.39 178.05 2qhy h TRP 6 N 0.68 0.86 -1.99 -1.77 4.06 -2.06 -3.43 115.95 112.29 2qhy h TRP 6 Ca 0.00 0.02 -0.59 0.00 2.06 0.00 0.00 58.89 60.38 2qhy h TRP 6 Cb 1.17 -0.28 -0.13 0.00 -1.00 0.00 0.00 29.16 28.91 2qhy h TRP 6 CO 0.19 0.47 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.33 2qhy s LYS 7 N -5.76 1.86 0.21 0.49 -2.85 -1.26 -5.10 119.74 107.33 2qhy s LYS 7 Ca -0.10 -2.03 -0.32 0.00 -1.00 0.00 0.00 55.97 52.51 2qhy s LYS 7 Cb 0.19 -1.46 -0.14 0.00 -2.06 0.00 0.00 37.83 34.37 2qhy s LYS 7 CO 0.78 -0.05 1.46 0.54 0.10 0.00 0.00 175.35 178.18 2qhy n ARG 8 N -0.87 2.06 -1.54 1.78 1.74 -1.26 -4.84 116.66 113.74 2qhy n ARG 8 Ca -0.04 0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 2qhy n ARG 8 Cb 0.66 -2.43 -0.01 0.00 -1.02 0.00 0.00 32.46 29.66 2qhy n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qhy n PRO 9 N 2.49 2.66 -3.00 5.56 -0.04 -1.26 -4.92 135.00 136.48 2qhy n PRO 9 Ca 0.13 -2.37 -0.40 0.00 -0.04 0.00 0.00 63.50 60.82 2qhy n PRO 9 Cb 0.30 -3.14 -0.05 0.00 -0.04 0.00 0.00 33.50 30.58 2qhy n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qhy s LEU 10 N 1.71 4.34 0.20 1.53 1.43 -1.26 -1.34 118.68 125.30 2qhy s LEU 10 Ca 0.51 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2qhy s LEU 10 Cb 0.14 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2qhy s LEU 10 CO -0.05 -0.11 -0.02 0.68 0.23 0.00 0.00 176.35 177.08 2qhy s VAL 11 N 0.67 0.99 -0.03 -1.59 -7.23 0.41 -4.90 120.40 108.73 2qhy s VAL 11 Ca 0.39 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 2qhy s VAL 11 Cb -0.18 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2qhy s VAL 11 CO 0.20 -0.45 0.82 -0.89 -0.31 0.00 0.00 175.10 174.48 2qhy s THR 12 N -3.45 4.94 0.29 5.32 2.01 -1.26 -0.27 115.64 123.23 2qhy s THR 12 Ca 0.25 1.72 0.11 0.00 0.31 0.00 0.00 61.69 64.08 2qhy s THR 12 Cb 0.05 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2qhy s THR 12 CO 0.06 0.22 -0.16 0.27 -0.69 0.00 0.00 174.62 174.33 2qhy s ILE 13 N 0.81 2.31 -0.08 1.82 -4.36 0.48 -2.24 121.20 119.95 2qhy s ILE 13 Ca 0.44 -2.32 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 2qhy s ILE 13 Cb -0.19 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.14 2qhy s ILE 13 CO 0.23 -0.35 -0.11 -0.60 0.24 0.00 0.00 174.94 174.35 2qhy s ARG 14 N -3.56 1.61 -0.10 0.37 3.52 0.66 -1.52 118.95 119.92 2qhy s ARG 14 Ca 0.30 -0.36 -0.08 0.00 -0.13 0.00 0.00 55.73 55.46 2qhy s ARG 14 Cb -0.02 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 31.98 2qhy s ARG 14 CO 0.15 -0.05 0.27 -1.50 -0.81 0.00 0.00 175.30 173.35 2qhy s ILE 15 N 0.94 -0.01 0.00 4.11 2.07 -0.66 -0.96 121.20 126.69 2qhy s ILE 15 Ca -0.09 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2qhy s ILE 15 Cb -0.15 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.05 2qhy s ILE 15 CO 0.00 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2qhy n GLY 16 N 3.25 3.17 1.32 1.50 0.00 -1.26 -1.47 105.19 111.70 2qhy n GLY 16 Ca -0.16 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.74 2qhy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhy n GLY 17 N 0.00 2.81 3.53 -0.02 0.00 -1.26 -5.00 105.19 105.24 2qhy n GLY 17 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2qhy n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qhy s GLN 18 N -1.58 3.10 -0.10 1.61 -0.21 -0.54 -5.10 119.66 116.84 2qhy s GLN 18 Ca 0.45 -0.56 -0.14 0.00 0.02 0.00 0.00 55.36 55.13 2qhy s GLN 18 Cb 0.28 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.55 2qhy s GLN 18 CO 0.24 0.48 0.34 -0.51 -2.12 0.00 0.00 175.29 173.72 2qhy s LEU 19 N -0.31 4.34 0.05 2.90 1.43 -1.26 -1.65 118.68 124.18 2qhy s LEU 19 Ca 0.04 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2qhy s LEU 19 Cb -0.13 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2qhy s LEU 19 CO 0.02 0.19 -0.03 -0.54 0.23 0.00 0.00 176.35 176.22 2qhy s LYS 20 N -0.16 0.60 -0.10 1.70 1.02 -0.58 -4.99 119.74 117.24 2qhy s LYS 20 Ca 0.20 -1.17 -0.14 0.00 0.02 0.00 0.00 55.97 54.88 2qhy s LYS 20 Cb -0.14 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2qhy s LYS 20 CO 0.08 -0.09 0.33 -1.21 -0.92 0.00 0.00 175.35 173.53 2qhy s GLU 21 N -3.66 4.03 0.03 1.68 0.41 -1.26 -0.38 118.70 119.54 2qhy s GLU 21 Ca 0.05 0.21 0.01 0.00 -0.41 0.00 0.00 54.97 54.82 2qhy s GLU 21 Cb 0.06 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 2qhy s GLU 21 CO -0.09 0.46 -0.05 0.00 -0.49 0.00 0.00 175.26 175.10 2qhy s ALA 22 N -0.26 0.28 -0.08 5.21 0.00 0.63 -4.39 121.76 123.14 2qhy s ALA 22 Ca 0.20 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2qhy s ALA 22 Cb -0.14 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2qhy s ALA 22 CO 0.08 -0.12 0.84 -1.17 0.00 0.00 0.00 175.76 175.39 2qhy s LEU 23 N -1.53 4.29 -0.58 0.00 2.96 0.77 -0.44 118.68 124.15 2qhy s LEU 23 Ca -0.14 1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 54.85 2qhy s LEU 23 Cb -0.10 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.33 2qhy s LEU 23 CO -0.01 -0.26 1.13 -0.76 -1.32 0.00 0.00 176.35 175.13 2qhy s LEU 24 N 1.32 3.62 -0.35 -0.68 1.43 -0.45 0.15 118.68 123.71 2qhy s LEU 24 Ca 0.43 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2qhy s LEU 24 Cb -0.18 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.08 2qhy s LEU 24 CO 0.19 -1.42 0.08 -0.62 0.23 0.00 0.00 176.35 174.81 2qhy s ASP 25 N 2.95 4.54 0.35 2.29 3.68 -0.32 -4.80 116.67 125.36 2qhy s ASP 25 Ca 0.39 -2.13 0.27 0.00 2.13 0.00 0.00 52.55 53.21 2qhy s ASP 25 Cb -0.09 -1.45 1.19 0.00 -1.45 0.00 0.00 42.92 41.12 2qhy s ASP 25 CO 0.24 -0.37 1.80 0.71 0.13 0.00 0.00 175.17 177.67 2qhy h THR 26 N 6.45 0.00 -0.01 1.71 1.35 -1.94 -2.55 112.91 117.92 2qhy h THR 26 Ca -0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2qhy h THR 26 Cb 1.01 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2qhy h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2qhy n GLY 27 N -0.31 -0.20 3.38 5.82 0.00 -1.26 -4.80 105.19 107.82 2qhy n GLY 27 Ca 0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2qhy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhy s ALA 28 N -2.00 3.00 0.26 4.61 0.00 -0.96 -4.97 121.76 121.71 2qhy s ALA 28 Ca 0.40 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2qhy s ALA 28 Cb 0.21 -1.91 0.35 0.00 0.00 0.00 0.00 23.12 21.77 2qhy s ALA 28 CO 0.34 -0.47 1.74 -0.44 0.00 0.00 0.00 175.76 176.93 2qhy h ASP 29 N 8.18 0.67 -3.05 0.00 3.32 -1.87 0.21 116.42 123.89 2qhy h ASP 29 Ca -0.40 -0.19 -0.47 0.00 0.02 0.00 0.00 57.03 55.99 2qhy h ASP 29 Cb 1.17 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2qhy h ASP 29 CO 0.59 0.81 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.39 2qhy s ASP 30 N -6.72 2.71 -0.16 6.45 1.01 -1.26 -2.60 116.67 116.11 2qhy s ASP 30 Ca -0.09 -1.06 -0.15 0.00 0.71 0.00 0.00 52.55 51.96 2qhy s ASP 30 Cb 0.14 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2qhy s ASP 30 CO 0.81 -0.19 0.37 -0.89 0.21 0.00 0.00 175.17 175.47 2qhy s THR 31 N -2.94 5.25 -0.13 -1.27 2.01 -1.26 -3.73 115.64 113.57 2qhy s THR 31 Ca 0.25 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2qhy s THR 31 Cb -0.00 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2qhy s THR 31 CO 0.09 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.54 2qhy s VAL 32 N 0.70 1.41 0.05 3.82 1.01 -0.26 -0.73 120.40 126.41 2qhy s VAL 32 Ca 0.20 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2qhy s VAL 32 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2qhy s VAL 32 CO 0.06 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 2qhy s LEU 33 N 1.49 2.89 0.63 3.92 1.43 0.15 -0.26 118.68 128.92 2qhy s LEU 33 Ca 0.04 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 2qhy s LEU 33 Cb -0.13 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2qhy s LEU 33 CO -0.09 0.24 0.73 -1.84 0.23 0.00 0.00 176.35 175.62 2qhy n GLU 34 N 1.29 0.60 -1.64 1.70 0.28 -1.26 -1.74 120.64 119.87 2qhy n GLU 34 Ca -0.15 0.24 -0.59 0.00 -0.16 0.00 0.00 57.16 56.50 2qhy n GLU 34 Cb 0.52 -1.95 -0.08 0.00 1.43 0.00 0.00 31.44 31.36 2qhy n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qhy n GLU 35 N -0.75 0.59 -3.68 3.44 4.07 -0.94 -4.53 120.64 118.84 2qhy n GLU 35 Ca 0.12 0.22 -0.14 0.00 -0.06 0.00 0.00 57.16 57.30 2qhy n GLU 35 Cb 0.48 -1.80 -0.08 0.00 -0.06 0.00 0.00 31.44 29.98 2qhy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qhy s MET 36 N 1.78 0.71 -1.21 5.31 0.23 -1.26 -5.00 119.30 119.86 2qhy s MET 36 Ca 0.95 0.31 -0.10 0.00 -1.03 0.00 0.00 55.69 55.81 2qhy s MET 36 Cb -1.19 0.33 0.20 0.00 -1.53 0.00 0.00 34.83 32.64 2qhy s MET 36 CO 0.63 -0.16 1.58 -1.71 -2.03 0.00 0.00 175.02 173.33 2qhy n ASN 37 N 1.90 5.37 -4.77 -1.18 4.05 -1.26 -5.00 115.26 114.37 2qhy n ASN 37 Ca -0.17 -3.10 -0.38 0.00 0.45 0.00 0.00 54.58 51.38 2qhy n ASN 37 Cb 0.56 -1.47 -0.02 0.00 1.23 0.00 0.00 39.78 40.08 2qhy n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qhy s LEU 38 N -0.01 4.16 0.74 1.20 1.43 -1.26 -5.04 118.68 119.90 2qhy s LEU 38 Ca 0.39 2.34 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 2qhy s LEU 38 Cb 0.02 -4.06 0.04 0.00 0.03 0.00 0.00 46.19 42.22 2qhy s LEU 38 CO 0.01 -0.72 1.09 -2.16 0.23 0.00 0.00 176.35 174.80 2qhy s PRO 39 N -2.37 2.49 0.00 1.29 0.04 -1.26 -4.98 135.00 130.20 2qhy s PRO 39 Ca 0.58 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2qhy s PRO 39 Cb -0.30 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2qhy s PRO 39 CO 0.38 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2qhy n GLY 40 N -1.26 0.66 3.77 0.56 0.00 -1.26 -5.00 105.19 102.67 2qhy n GLY 40 Ca 0.09 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2qhy n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhy s LYS 41 N -1.26 3.51 0.19 1.61 0.00 -1.26 -5.06 119.74 117.47 2qhy s LYS 41 Ca 0.00 1.65 -0.09 0.00 0.00 0.00 0.00 55.97 57.53 2qhy s LYS 41 Cb 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 37.83 35.68 2qhy s LYS 41 CO 0.00 -0.73 0.32 1.67 0.00 0.00 0.00 175.35 176.61 2qhy s TRP 42 N -1.71 0.48 0.05 1.78 1.48 -1.26 -4.56 118.94 115.21 2qhy s TRP 42 Ca 0.70 -0.82 0.04 0.00 -1.06 0.00 0.00 56.10 54.95 2qhy s TRP 42 Cb -0.25 -0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 31.98 2qhy s TRP 42 CO 0.29 -0.78 -0.12 -1.59 -4.06 0.00 0.00 176.95 170.69 2qhy s LYS 43 N -4.00 0.74 0.43 3.25 -2.85 -0.67 -4.92 119.74 111.72 2qhy s LYS 43 Ca 0.21 -0.83 -0.23 0.00 -1.00 0.00 0.00 55.97 54.12 2qhy s LYS 43 Cb 0.03 -0.67 -0.08 0.00 -2.06 0.00 0.00 37.83 35.04 2qhy s LYS 43 CO 0.04 0.15 1.10 -1.25 0.10 0.00 0.00 175.35 175.48 2qhy s PRO 44 N -1.51 3.96 0.05 1.78 0.04 -1.26 -0.50 135.00 137.56 2qhy s PRO 44 Ca -0.04 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2qhy s PRO 44 Cb -0.09 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 32.02 2qhy s PRO 44 CO 0.01 -0.34 0.27 0.21 0.04 0.00 0.00 177.00 177.20 2qhy s LYS 45 N -2.65 0.80 -0.11 4.56 2.20 -0.46 -4.88 119.74 119.20 2qhy s LYS 45 Ca 0.61 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2qhy s LYS 45 Cb -0.24 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2qhy s LYS 45 CO 0.30 -0.26 -0.16 -1.64 -0.36 0.00 0.00 175.35 173.23 2qhy s MET 46 N -2.74 2.34 0.08 4.03 -1.94 -1.26 -0.56 119.30 119.25 2qhy s MET 46 Ca -0.04 -0.61 0.10 0.00 -1.71 0.00 0.00 55.69 53.44 2qhy s MET 46 Cb -0.00 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 2qhy s MET 46 CO -0.05 -0.05 -0.27 0.96 -0.01 0.00 0.00 175.02 175.61 2qhy s ILE 47 N 0.95 2.19 0.08 2.53 -4.36 -0.81 -4.96 121.20 116.82 2qhy s ILE 47 Ca -0.07 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 58.85 2qhy s ILE 47 Cb -0.15 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 2qhy s ILE 47 CO -0.01 0.25 -0.21 -0.83 0.24 0.00 0.00 174.94 174.38 2qhy s GLY 48 N -1.58 1.19 0.00 6.27 0.00 -1.26 -1.28 107.32 110.65 2qhy s GLY 48 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2qhy s GLY 48 CO 0.04 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.60 2qhy n GLY 49 N 1.37 3.38 3.71 0.20 0.00 -0.36 -4.99 105.19 108.50 2qhy n GLY 49 Ca -0.19 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 2qhy n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhy s ILE 50 N -1.09 2.74 0.00 -0.61 1.01 -1.26 -1.46 121.20 120.53 2qhy s ILE 50 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2qhy s ILE 50 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2qhy s ILE 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2qhy n GLY 51 N 3.78 3.44 0.00 6.18 0.00 -1.26 -4.95 105.19 112.38 2qhy n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qhy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhy n GLY 52 N -1.81 0.30 3.64 -0.02 0.00 -0.53 -5.08 105.19 101.68 2qhy n GLY 52 Ca 0.00 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 2qhy n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qhy s PHE 53 N -0.41 2.82 0.18 1.61 0.40 -1.26 -1.23 117.98 120.10 2qhy s PHE 53 Ca 0.00 -0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 2qhy s PHE 53 Cb 0.00 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2qhy s PHE 53 CO 0.00 0.49 -0.19 0.96 0.70 0.00 0.00 175.22 177.19 2qhy s ILE 54 N -1.56 1.94 -0.10 0.64 -4.36 -0.41 -4.97 121.20 112.38 2qhy s ILE 54 Ca 0.26 -2.02 -0.21 0.00 -0.26 0.00 0.00 60.65 58.42 2qhy s ILE 54 Cb -0.10 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 2qhy s ILE 54 CO 0.17 -0.34 0.60 -0.75 0.24 0.00 0.00 174.94 174.86 2qhy s LYS 55 N -2.96 4.37 0.30 0.37 2.47 -1.26 -1.92 119.74 121.11 2qhy s LYS 55 Ca 0.19 0.67 0.05 0.00 -1.56 0.00 0.00 55.97 55.32 2qhy s LYS 55 Cb -0.05 -3.46 -0.06 0.00 -1.46 0.00 0.00 37.83 32.80 2qhy s LYS 55 CO 0.08 0.07 0.01 0.14 0.16 0.00 0.00 175.35 175.81 2qhy s VAL 56 N 0.84 1.34 -0.16 4.02 -7.23 0.27 -4.34 120.40 115.14 2qhy s VAL 56 Ca 0.32 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2qhy s VAL 56 Cb -0.16 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2qhy s VAL 56 CO 0.14 -0.16 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.54 2qhy s ARG 57 N -3.83 3.37 -0.30 4.82 0.52 0.66 -1.35 118.95 122.84 2qhy s ARG 57 Ca 0.33 -0.67 -0.17 0.00 -0.52 0.00 0.00 55.73 54.70 2qhy s ARG 57 Cb 0.07 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2qhy s ARG 57 CO 0.13 0.06 0.47 -1.14 0.02 0.00 0.00 175.30 174.84 2qhy s GLN 58 N 0.77 3.86 -0.11 3.54 0.74 0.35 -0.36 119.66 128.45 2qhy s GLN 58 Ca -0.04 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.38 2qhy s GLN 58 Cb -0.15 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2qhy s GLN 58 CO 0.01 -0.45 -0.05 0.71 -0.55 0.00 0.00 175.29 174.96 2qhy s TYR 59 N 2.27 2.98 0.15 1.67 1.51 -0.11 -1.66 117.35 124.16 2qhy s TYR 59 Ca 0.18 -0.12 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 2qhy s TYR 59 Cb -0.16 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2qhy s TYR 59 CO 0.11 0.17 0.09 -0.51 -1.11 0.00 0.00 175.55 174.30 2qhy s ASP 60 N -0.31 5.30 -1.40 2.29 1.01 -1.26 -0.96 116.67 121.34 2qhy s ASP 60 Ca 0.05 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.08 2qhy s ASP 60 Cb -0.13 -1.32 0.03 0.00 1.01 0.00 0.00 42.92 42.51 2qhy s ASP 60 CO 0.02 0.09 0.68 0.00 0.21 0.00 0.00 175.17 176.18 2qhy n GLN 61 N -0.16 -4.50 -3.39 8.23 1.13 -1.10 -4.90 117.38 112.68 2qhy n GLN 61 Ca -0.09 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.13 2qhy n GLN 61 Cb 0.54 -5.06 -0.08 0.00 0.11 0.00 0.00 30.24 25.75 2qhy n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qhy s ILE 62 N -3.66 5.19 0.31 5.09 -1.09 -0.14 -4.74 121.20 122.17 2qhy s ILE 62 Ca 0.17 0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 58.97 2qhy s ILE 62 Cb -0.09 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 2qhy s ILE 62 CO 0.84 0.22 1.17 -2.84 -1.23 0.00 0.00 174.94 173.11 2qhy s PRO 63 N 1.56 4.46 -0.08 2.79 0.02 -1.26 -1.88 135.00 140.62 2qhy s PRO 63 Ca 0.18 1.93 -0.07 0.00 0.02 0.00 0.00 61.00 63.06 2qhy s PRO 63 Cb -0.15 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.32 2qhy s PRO 63 CO 0.08 0.01 0.22 -1.50 -0.33 0.00 0.00 177.00 175.48 2qhy s ILE 64 N -1.20 -0.01 -0.12 2.83 2.07 -0.33 -4.46 121.20 119.98 2qhy s ILE 64 Ca 0.48 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.74 2qhy s ILE 64 Cb -0.34 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 2qhy s ILE 64 CO 0.44 0.01 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.68 2qhy s GLU 65 N 0.31 3.32 -0.25 3.50 2.12 -0.13 -0.32 118.70 127.26 2qhy s GLU 65 Ca -0.02 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.69 2qhy s GLU 65 Cb -0.03 -2.67 0.06 0.00 0.26 0.00 0.00 34.13 31.75 2qhy s GLU 65 CO -0.01 0.30 -0.05 0.42 -0.54 0.00 0.00 175.26 175.38 2qhy s ILE 66 N 0.15 1.62 -1.49 -3.70 1.01 0.01 -0.24 121.20 118.55 2qhy s ILE 66 Ca -0.05 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.14 2qhy s ILE 66 Cb -0.15 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.50 2qhy s ILE 66 CO 0.04 -0.14 0.99 0.00 0.00 0.00 0.00 174.94 175.84 2qhy n GLY 68 N -1.73 0.78 3.72 0.00 0.00 -1.26 -5.01 105.19 101.69 2qhy n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2qhy n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qhy s HIS 69 N -3.22 3.39 0.22 1.61 4.02 -0.46 -5.07 115.29 115.79 2qhy s HIS 69 Ca 0.00 0.30 -0.29 0.00 1.02 0.00 0.00 55.06 56.08 2qhy s HIS 69 Cb 0.00 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.58 29.33 2qhy s HIS 69 CO 0.00 0.29 0.92 0.15 1.02 0.00 0.00 174.74 177.11 2qhy s LYS 70 N 0.31 4.81 0.13 1.40 1.02 -1.26 -0.81 119.74 125.34 2qhy s LYS 70 Ca 0.07 1.44 -0.02 0.00 0.02 0.00 0.00 55.97 57.48 2qhy s LYS 70 Cb -0.11 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2qhy s LYS 70 CO -0.01 0.52 0.08 0.00 -0.92 0.00 0.00 175.35 175.01 2qhy s ALA 71 N -1.13 0.72 -0.22 5.17 0.00 0.56 -4.73 121.76 122.12 2qhy s ALA 71 Ca 0.40 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2qhy s ALA 71 Cb -0.25 0.83 0.09 0.00 0.00 0.00 0.00 23.12 23.78 2qhy s ALA 71 CO 0.31 -0.50 0.50 -1.50 0.00 0.00 0.00 175.76 174.57 2qhy s ILE 72 N -4.03 -0.44 0.00 0.00 2.07 -1.26 -1.19 121.20 116.35 2qhy s ILE 72 Ca 0.22 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2qhy s ILE 72 Cb 0.07 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2qhy s ILE 72 CO 0.01 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2qhy n GLY 73 N 4.93 0.85 3.73 1.50 0.00 -0.79 -4.85 105.19 110.55 2qhy n GLY 73 Ca -0.15 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2qhy n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhy s THR 74 N -2.11 4.46 -0.02 2.61 2.01 -1.26 -0.96 115.64 120.37 2qhy s THR 74 Ca 0.00 2.03 0.05 0.00 0.31 0.00 0.00 61.69 64.08 2qhy s THR 74 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2qhy s THR 74 CO 0.00 0.31 -0.18 0.68 -0.69 0.00 0.00 174.62 174.74 2qhy s VAL 75 N 0.03 1.43 -0.23 3.82 -7.23 -0.14 -4.47 120.40 113.61 2qhy s VAL 75 Ca 0.47 -0.75 -0.09 0.00 -1.81 0.00 0.00 61.98 59.80 2qhy s VAL 75 Cb -0.24 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2qhy s VAL 75 CO 0.30 0.41 0.11 -0.76 -0.31 0.00 0.00 175.10 174.85 2qhy s LEU 76 N -0.27 3.84 -0.15 1.32 1.43 0.09 -0.93 118.68 124.01 2qhy s LEU 76 Ca 0.03 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2qhy s LEU 76 Cb -0.08 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2qhy s LEU 76 CO 0.00 0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.85 2qhy s VAL 77 N 1.10 3.22 -0.13 -1.59 1.01 0.51 0.30 120.40 124.82 2qhy s VAL 77 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2qhy s VAL 77 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2qhy s VAL 77 CO 0.04 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2qhy n GLY 78 N 3.79 -1.21 2.32 4.51 0.00 -0.71 -0.25 105.19 113.64 2qhy n GLY 78 Ca -0.18 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2qhy n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qhy n PRO 79 N -0.01 3.00 -2.77 1.61 -0.04 -1.26 -2.21 135.00 133.32 2qhy n PRO 79 Ca 0.00 -1.79 -0.37 0.00 -0.04 0.00 0.00 63.50 61.30 2qhy n PRO 79 Cb 0.00 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 2qhy n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qhy s THR 80 N 2.21 4.20 -0.50 0.52 -1.32 -1.26 -4.98 115.64 114.52 2qhy s THR 80 Ca 0.62 1.78 0.26 0.00 -1.21 0.00 0.00 61.69 63.14 2qhy s THR 80 Cb 0.19 -3.97 0.29 0.00 -1.51 0.00 0.00 72.50 67.50 2qhy s THR 80 CO -0.04 0.10 1.76 1.55 -2.21 0.00 0.00 174.62 175.78 2qhy h PRO 81 N 3.05 0.00 -3.71 7.08 0.13 -1.99 -3.43 132.00 133.13 2qhy h PRO 81 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2qhy h PRO 81 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2qhy h PRO 81 CO 0.65 0.00 -0.65 0.08 -0.23 0.00 0.00 178.00 177.84 2qhy s VAL 82 N -3.27 0.04 0.04 1.56 1.01 -1.26 -5.08 120.40 113.44 2qhy s VAL 82 Ca 0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2qhy s VAL 82 Cb 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 2qhy s VAL 82 CO 0.50 -0.20 1.22 0.20 0.00 0.00 0.00 175.10 176.82 2qhy s ASN 83 N -0.62 7.05 -0.17 3.32 0.01 -1.26 -4.63 114.94 118.64 2qhy s ASN 83 Ca -0.07 2.00 0.01 0.00 -0.71 0.00 0.00 52.86 54.09 2qhy s ASN 83 Cb -0.04 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2qhy s ASN 83 CO -0.00 -0.51 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.29 2qhy s ILE 84 N 1.32 1.84 -0.41 0.60 1.01 0.64 -0.16 121.20 126.04 2qhy s ILE 84 Ca 0.59 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 2qhy s ILE 84 Cb -0.29 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2qhy s ILE 84 CO 0.28 0.45 0.54 -0.63 0.00 0.00 0.00 174.94 175.58 2qhy s ILE 85 N 1.37 4.96 0.73 2.92 -1.09 0.12 -1.10 121.20 129.11 2qhy s ILE 85 Ca 0.04 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2qhy s ILE 85 Cb -0.13 -4.10 0.14 0.00 -1.58 0.00 0.00 42.46 36.79 2qhy s ILE 85 CO -0.11 -0.46 1.00 -0.83 -1.23 0.00 0.00 174.94 173.31 2qhy s GLY 86 N 1.88 1.74 0.51 6.18 0.00 -1.24 -1.17 107.32 115.22 2qhy s GLY 86 Ca 0.18 -1.88 0.19 0.00 0.00 0.00 0.00 44.72 43.21 2qhy s GLY 86 CO 0.16 -1.28 2.11 3.21 0.00 0.00 0.00 173.10 177.30 2qhy h ARG 87 N -0.52 0.00 -0.33 2.90 3.08 -0.57 -1.50 114.38 117.44 2qhy h ARG 87 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.77 2qhy h ARG 87 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 2qhy h ARG 87 CO 0.38 0.07 0.23 -2.95 -1.07 0.00 0.00 179.97 176.63 2qhy h ASN 88 N 0.00 0.17 0.01 7.04 -1.07 -1.76 -2.54 115.58 117.43 2qhy h ASN 88 Ca -0.00 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 55.99 2qhy h ASN 88 Cb 0.14 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.28 2qhy h ASN 88 CO 0.01 0.11 -2.40 0.18 0.07 0.00 0.00 177.43 175.40 2qhy n LEU 89 N -4.48 0.87 -0.37 6.14 4.77 -0.74 -4.40 117.00 118.80 2qhy n LEU 89 Ca 0.04 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2qhy n LEU 89 Cb 0.26 0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.64 2qhy n LEU 89 CO 0.35 0.62 1.25 -0.07 -1.33 0.00 0.00 177.39 178.22 2qhy h LEU 90 N 0.00 1.00 -1.07 2.23 3.38 -1.14 -1.36 115.31 118.35 2qhy h LEU 90 Ca -0.55 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 2qhy h LEU 90 Cb 2.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.68 2qhy h LEU 90 CO -0.00 0.60 0.22 0.71 0.09 0.00 0.00 178.44 180.05 2qhy h THR 91 N 1.11 1.22 -0.03 0.22 1.35 -1.69 -1.36 112.91 113.73 2qhy h THR 91 Ca 0.46 -0.71 -0.07 0.00 -0.55 0.00 0.00 66.41 65.53 2qhy h THR 91 Cb 0.28 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2qhy h THR 91 CO -0.21 0.28 -0.31 1.56 -0.25 0.00 0.00 175.52 176.59 2qhy h GLN 92 N 0.86 0.06 -0.22 4.72 4.20 -1.46 -2.36 115.11 120.91 2qhy h GLN 92 Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2qhy h GLN 92 Cb 0.20 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qhy h GLN 92 CO -0.01 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 178.96 2qhy n ILE 93 N -4.15 0.27 -1.27 2.54 -5.35 -1.05 -4.95 119.36 105.41 2qhy n ILE 93 Ca -0.02 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2qhy n ILE 93 Cb 0.37 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 2qhy n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qhy n GLY 94 N 1.34 0.72 3.71 3.28 0.00 -0.89 -5.02 105.19 108.33 2qhy n GLY 94 Ca 0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2qhy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhy s THR 96 N 1.19 1.80 -0.00 0.00 -4.23 -1.26 -4.67 115.64 108.47 2qhy s THR 96 Ca 0.48 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2qhy s THR 96 Cb -0.20 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 2qhy s THR 96 CO 0.24 -0.53 0.38 -0.76 -0.54 0.00 0.00 174.62 173.41 2qhy s LEU 97 N -3.19 4.45 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.77 2qhy s LEU 97 Ca 0.21 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2qhy s LEU 97 Cb -0.02 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.64 2qhy s LEU 97 CO 0.07 0.31 0.03 0.20 0.23 0.00 0.00 176.35 177.19 2qhy s ASN 98 N -1.18 0.28 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.90 2qhy s ASN 98 Ca 0.24 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.56 2qhy s ASN 98 Cb -0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 2qhy s ASN 98 CO 0.13 -0.14 0.00 2.22 -2.57 0.00 0.00 177.10 176.74