#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhz s GLN 2 N 0.00 3.95 -0.16 0.54 0.74 -1.26 -5.10 119.66 118.37 2qhz s GLN 2 Ca 0.00 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.15 2qhz s GLN 2 Cb 0.00 -3.27 0.02 0.00 1.10 0.00 0.00 33.01 30.86 2qhz s GLN 2 CO 0.00 0.37 -0.16 0.42 -0.55 0.00 0.00 175.29 175.37 2qhz s ILE 3 N 0.13 1.74 0.73 -2.34 1.01 -1.26 -5.13 121.20 116.08 2qhz s ILE 3 Ca 0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2qhz s ILE 3 Cb -0.12 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.80 2qhz s ILE 3 CO -0.00 0.45 1.04 0.42 0.00 0.00 0.00 174.94 176.85 2qhz s THR 4 N 1.41 2.23 -0.07 2.92 -4.23 -1.26 -5.03 115.64 111.62 2qhz s THR 4 Ca 0.04 -0.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.38 2qhz s THR 4 Cb -0.13 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.89 2qhz s THR 4 CO -0.11 0.00 1.05 0.18 -0.54 0.00 0.00 174.62 175.20 2qhz n LEU 5 N -2.99 1.90 0.25 4.79 4.77 -1.26 -4.52 117.00 119.93 2qhz n LEU 5 Ca 0.09 -2.35 0.12 0.00 -0.03 0.00 0.00 56.01 53.84 2qhz n LEU 5 Cb 0.60 -0.22 0.66 0.00 -2.33 0.00 0.00 43.42 42.13 2qhz n LEU 5 CO 0.51 0.56 0.93 -0.50 -1.33 0.00 0.00 177.39 177.55 2qhz h TRP 6 N 0.00 0.00 -2.11 -1.77 6.55 -2.07 -3.43 115.95 113.12 2qhz h TRP 6 Ca 0.00 0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 2qhz h TRP 6 Cb 0.86 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 29.02 2qhz h TRP 6 CO 0.01 0.15 -0.71 0.15 -1.05 0.00 0.00 178.44 176.99 2qhz s LYS 7 N -4.10 1.81 0.23 0.49 -0.14 -1.26 -5.10 119.74 111.67 2qhz s LYS 7 Ca -0.02 -1.78 -0.32 0.00 -1.36 0.00 0.00 55.97 52.49 2qhz s LYS 7 Cb 0.13 -1.80 -0.12 0.00 -1.68 0.00 0.00 37.83 34.35 2qhz s LYS 7 CO 0.60 0.26 1.64 0.54 -0.76 0.00 0.00 175.35 177.64 2qhz n ARG 8 N -0.72 2.63 -1.51 1.68 1.74 -1.26 -4.86 116.66 114.35 2qhz n ARG 8 Ca -0.05 0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 2qhz n ARG 8 Cb 0.61 -2.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.29 2qhz n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qhz n PRO 9 N 3.16 2.48 -3.12 5.56 -0.04 -1.26 -4.92 135.00 136.85 2qhz n PRO 9 Ca 0.13 -2.33 -0.39 0.00 -0.04 0.00 0.00 63.50 60.87 2qhz n PRO 9 Cb 0.34 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.62 2qhz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qhz s LEU 10 N 1.74 4.40 0.12 1.53 1.43 -1.26 -1.10 118.68 125.54 2qhz s LEU 10 Ca 0.51 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 2qhz s LEU 10 Cb 0.14 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2qhz s LEU 10 CO -0.03 0.04 -0.10 0.68 0.23 0.00 0.00 176.35 177.18 2qhz s VAL 11 N 0.04 1.01 0.07 -1.59 -7.23 0.01 -4.94 120.40 107.77 2qhz s VAL 11 Ca 0.34 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2qhz s VAL 11 Cb -0.19 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 2qhz s VAL 11 CO 0.19 -0.70 0.95 -0.89 -0.31 0.00 0.00 175.10 174.33 2qhz s THR 12 N -3.07 4.63 0.17 5.32 2.01 -1.26 -1.07 115.64 122.36 2qhz s THR 12 Ca 0.12 2.03 0.10 0.00 0.31 0.00 0.00 61.69 64.25 2qhz s THR 12 Cb 0.01 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2qhz s THR 12 CO -0.01 0.27 -0.21 0.27 -0.69 0.00 0.00 174.62 174.26 2qhz s ILE 13 N 0.29 2.59 -0.18 1.82 -4.36 0.51 -1.91 121.20 119.97 2qhz s ILE 13 Ca 0.48 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2qhz s ILE 13 Cb -0.22 -2.23 -0.00 0.00 1.25 0.00 0.00 42.46 41.26 2qhz s ILE 13 CO 0.29 -0.04 -0.12 -0.60 0.24 0.00 0.00 174.94 174.70 2qhz s ARG 14 N -2.51 3.27 -0.09 0.37 3.52 -0.14 -1.65 118.95 121.71 2qhz s ARG 14 Ca 0.20 -0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2qhz s ARG 14 Cb -0.09 -2.75 0.05 0.00 -1.56 0.00 0.00 34.95 30.61 2qhz s ARG 14 CO 0.10 -0.05 0.18 -1.50 -0.81 0.00 0.00 175.30 173.22 2qhz s ILE 15 N 1.01 -0.29 -1.60 4.11 2.07 -0.47 -1.53 121.20 124.51 2qhz s ILE 15 Ca -0.01 0.34 -0.03 0.00 -1.41 0.00 0.00 60.65 59.54 2qhz s ILE 15 Cb -0.15 -0.32 0.01 0.00 0.13 0.00 0.00 42.46 42.13 2qhz s ILE 15 CO -0.02 0.14 0.33 0.61 -1.91 0.00 0.00 174.94 174.09 2qhz n GLY 16 N 5.31 -0.51 2.66 1.50 0.00 -1.26 -1.57 105.19 111.31 2qhz n GLY 16 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2qhz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhz n GLY 17 N -1.26 0.69 3.65 -0.02 0.00 -1.26 -5.01 105.19 101.97 2qhz n GLY 17 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2qhz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qhz s GLN 18 N -0.15 2.93 -0.15 1.61 -1.52 -0.61 -5.10 119.66 116.67 2qhz s GLN 18 Ca 0.00 -0.45 -0.13 0.00 -1.95 0.00 0.00 55.36 52.83 2qhz s GLN 18 Cb 0.00 -2.74 -0.05 0.00 -0.22 0.00 0.00 33.01 30.00 2qhz s GLN 18 CO 0.00 0.68 0.27 -0.51 -0.25 0.00 0.00 175.29 175.48 2qhz s LEU 19 N -0.83 4.27 0.10 2.90 1.43 -1.26 -1.37 118.68 123.91 2qhz s LEU 19 Ca 0.13 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2qhz s LEU 19 Cb -0.11 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2qhz s LEU 19 CO 0.02 0.15 -0.07 -0.54 0.23 0.00 0.00 176.35 176.14 2qhz s LYS 20 N 0.23 0.83 -0.16 1.70 1.02 -0.66 -4.98 119.74 117.73 2qhz s LYS 20 Ca 0.16 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 2qhz s LYS 20 Cb -0.13 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 2qhz s LYS 20 CO 0.04 -0.00 0.20 -1.21 -0.92 0.00 0.00 175.35 173.46 2qhz s GLU 21 N -3.66 4.04 0.04 1.68 0.41 -1.26 -0.36 118.70 119.59 2qhz s GLU 21 Ca 0.11 -0.06 0.02 0.00 -0.41 0.00 0.00 54.97 54.62 2qhz s GLU 21 Cb 0.04 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 2qhz s GLU 21 CO -0.04 0.40 -0.07 0.00 -0.49 0.00 0.00 175.26 175.07 2qhz s ALA 22 N 0.02 0.50 -0.18 5.21 0.00 -0.23 -4.61 121.76 122.46 2qhz s ALA 22 Ca 0.13 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 2qhz s ALA 22 Cb -0.12 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2qhz s ALA 22 CO 0.02 -0.07 0.44 -1.17 0.00 0.00 0.00 175.76 174.98 2qhz s LEU 23 N -1.65 4.18 -0.33 0.00 2.96 0.46 -0.81 118.68 123.49 2qhz s LEU 23 Ca -0.10 0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 2qhz s LEU 23 Cb -0.09 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 2qhz s LEU 23 CO -0.00 -0.08 1.43 -0.76 -1.32 0.00 0.00 176.35 175.62 2qhz s LEU 24 N 1.23 3.74 -0.46 -0.68 1.43 -0.26 -0.44 118.68 123.25 2qhz s LEU 24 Ca 0.21 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 2qhz s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.66 2qhz s LEU 24 CO 0.09 -1.30 0.23 -0.62 0.23 0.00 0.00 176.35 174.98 2qhz s ASP 25 N 3.72 4.01 0.60 2.29 -1.08 -0.41 -4.79 116.67 121.00 2qhz s ASP 25 Ca 0.62 -2.69 0.37 0.00 -0.52 0.00 0.00 52.55 50.34 2qhz s ASP 25 Cb -0.17 -1.30 1.88 0.00 -1.46 0.00 0.00 42.92 41.87 2qhz s ASP 25 CO 0.29 -0.27 2.19 0.71 0.52 0.00 0.00 175.17 178.61 2qhz h THR 26 N 5.51 0.13 -0.00 1.71 1.35 -1.93 -1.56 112.91 118.12 2qhz h THR 26 Ca -0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2qhz h THR 26 Cb 0.92 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2qhz h THR 26 CO 0.57 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2qhz n GLY 27 N -0.65 -0.77 3.55 5.82 0.00 -1.26 -4.78 105.19 107.10 2qhz n GLY 27 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2qhz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhz s ALA 28 N -2.00 3.29 0.29 4.61 0.00 -0.59 -4.98 121.76 122.38 2qhz s ALA 28 Ca 0.45 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2qhz s ALA 28 Cb 0.22 -1.98 0.43 0.00 0.00 0.00 0.00 23.12 21.79 2qhz s ALA 28 CO 0.36 -0.10 1.71 -0.44 0.00 0.00 0.00 175.76 177.29 2qhz h ASP 29 N 7.35 0.37 -2.16 0.00 3.32 -1.86 0.66 116.42 124.10 2qhz h ASP 29 Ca -0.37 -0.14 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 2qhz h ASP 29 Cb 1.17 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 2qhz h ASP 29 CO 0.64 0.69 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.35 2qhz s ASP 30 N -6.85 3.52 -0.22 6.45 1.01 -1.26 -2.65 116.67 116.67 2qhz s ASP 30 Ca -0.06 -1.19 -0.14 0.00 0.71 0.00 0.00 52.55 51.88 2qhz s ASP 30 Cb 0.13 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 2qhz s ASP 30 CO 0.78 -0.22 0.30 -0.89 0.21 0.00 0.00 175.17 175.36 2qhz s THR 31 N -2.69 5.26 -0.09 -1.27 2.01 -1.26 -3.22 115.64 114.39 2qhz s THR 31 Ca 0.32 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2qhz s THR 31 Cb 0.02 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2qhz s THR 31 CO 0.15 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 2qhz s VAL 32 N 1.22 0.92 0.07 3.82 1.01 -0.58 -0.98 120.40 125.88 2qhz s VAL 32 Ca 0.14 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.93 2qhz s VAL 32 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2qhz s VAL 32 CO 0.07 0.34 -0.10 -0.76 0.00 0.00 0.00 175.10 174.64 2qhz s LEU 33 N 1.44 3.02 0.98 3.92 1.43 0.57 -0.54 118.68 129.49 2qhz s LEU 33 Ca -0.01 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2qhz s LEU 33 Cb -0.13 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.47 2qhz s LEU 33 CO -0.04 0.21 1.12 -1.61 0.23 0.00 0.00 176.35 176.25 2qhz s GLU 34 N -1.95 0.54 -0.12 1.70 2.02 -1.26 -1.38 118.70 118.25 2qhz s GLU 34 Ca 0.20 1.40 -0.41 0.00 0.02 0.00 0.00 54.97 56.18 2qhz s GLU 34 Cb -0.11 -1.68 -0.19 0.00 0.10 0.00 0.00 34.13 32.25 2qhz s GLU 34 CO 0.11 -2.91 1.32 -1.91 0.02 0.00 0.00 175.26 171.89 2qhz n GLU 35 N -4.41 0.38 -3.55 1.61 4.07 -1.25 -4.59 120.64 112.89 2qhz n GLU 35 Ca 0.10 0.14 -0.10 0.00 -0.06 0.00 0.00 57.16 57.24 2qhz n GLU 35 Cb 0.52 -1.69 -0.02 0.00 -0.06 0.00 0.00 31.44 30.20 2qhz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qhz s MET 36 N 1.14 1.27 -0.12 5.31 0.23 -1.26 -5.04 119.30 120.83 2qhz s MET 36 Ca 0.93 -0.55 -0.19 0.00 -1.03 0.00 0.00 55.69 54.85 2qhz s MET 36 Cb -1.23 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 32.56 2qhz s MET 36 CO 0.61 -0.57 0.52 -0.80 -2.03 0.00 0.00 175.02 172.76 2qhz s ASN 37 N -2.74 6.73 0.03 -1.18 0.02 -1.26 -5.05 114.94 111.48 2qhz s ASN 37 Ca 0.05 0.87 0.05 0.00 -1.02 0.00 0.00 52.86 52.81 2qhz s ASN 37 Cb -0.02 -2.31 -0.02 0.00 0.02 0.00 0.00 41.25 38.92 2qhz s ASN 37 CO -0.07 -0.04 -0.16 -0.76 0.02 0.00 0.00 177.10 176.10 2qhz s LEU 38 N 0.75 2.14 0.60 0.60 1.43 -1.26 -5.09 118.68 117.86 2qhz s LEU 38 Ca 0.28 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 2qhz s LEU 38 Cb -0.16 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2qhz s LEU 38 CO 0.12 0.09 1.04 -2.16 0.23 0.00 0.00 176.35 175.66 2qhz s PRO 39 N -0.99 3.40 0.07 1.29 0.04 -1.26 -4.97 135.00 132.57 2qhz s PRO 39 Ca 0.04 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2qhz s PRO 39 Cb -0.08 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2qhz s PRO 39 CO 0.01 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2qhz n GLY 40 N -1.50 -3.20 3.77 0.56 0.00 -1.26 -4.96 105.19 98.59 2qhz n GLY 40 Ca 0.08 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 2qhz n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhz s LYS 41 N -0.64 4.37 0.19 1.61 0.00 -1.26 -5.06 119.74 118.95 2qhz s LYS 41 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 55.97 57.75 2qhz s LYS 41 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 37.83 34.89 2qhz s LYS 41 CO 0.00 -0.02 0.00 1.67 0.00 0.00 0.00 175.35 177.00 2qhz s TRP 42 N -1.35 1.32 0.04 1.78 1.48 -1.26 -4.63 118.94 116.31 2qhz s TRP 42 Ca 0.51 -0.99 0.05 0.00 -1.06 0.00 0.00 56.10 54.61 2qhz s TRP 42 Cb -0.29 -0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 31.25 2qhz s TRP 42 CO 0.37 -0.16 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.38 2qhz s LYS 43 N -3.90 0.92 0.32 3.25 -2.85 -0.87 -4.92 119.74 111.69 2qhz s LYS 43 Ca 0.25 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 54.20 2qhz s LYS 43 Cb 0.06 -0.92 -0.11 0.00 -2.06 0.00 0.00 37.83 34.81 2qhz s LYS 43 CO 0.05 0.23 1.44 -2.14 0.10 0.00 0.00 175.35 175.03 2qhz s PRO 44 N -1.10 4.22 0.05 1.78 0.02 -1.26 -0.90 135.00 137.81 2qhz s PRO 44 Ca 0.01 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2qhz s PRO 44 Cb -0.08 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 2qhz s PRO 44 CO 0.01 -0.42 -0.04 0.21 -0.33 0.00 0.00 177.00 176.43 2qhz s LYS 45 N -1.35 0.57 -0.01 5.54 2.20 -0.83 -4.88 119.74 120.97 2qhz s LYS 45 Ca 0.55 -1.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 2qhz s LYS 45 Cb -0.44 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 35.93 2qhz s LYS 45 CO 0.53 -0.06 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.56 2qhz s MET 46 N -3.10 2.02 0.05 4.03 -1.94 -1.26 -1.01 119.30 118.09 2qhz s MET 46 Ca 0.01 -0.93 0.04 0.00 -1.71 0.00 0.00 55.69 53.09 2qhz s MET 46 Cb 0.02 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 2qhz s MET 46 CO -0.06 0.54 -0.11 0.96 -0.01 0.00 0.00 175.02 176.34 2qhz s ILE 47 N -0.62 0.82 -0.13 2.53 -4.36 -0.74 -4.98 121.20 113.72 2qhz s ILE 47 Ca 0.10 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.36 2qhz s ILE 47 Cb -0.10 -0.82 -0.02 0.00 1.25 0.00 0.00 42.46 42.77 2qhz s ILE 47 CO -0.01 -0.26 -0.08 -0.83 0.24 0.00 0.00 174.94 174.00 2qhz s GLY 48 N -1.53 1.63 0.00 6.27 0.00 -1.26 -0.94 107.32 111.49 2qhz s GLY 48 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2qhz s GLY 48 CO 0.01 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.47 2qhz n GLY 49 N 3.25 7.37 0.27 0.20 0.00 0.08 -4.98 105.19 111.37 2qhz n GLY 49 Ca -0.18 -1.94 0.04 0.00 0.00 0.00 0.00 46.02 43.94 2qhz n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qhz h ILE 50 N 0.03 1.11 -0.03 -0.61 2.10 -2.03 -2.96 117.51 115.12 2qhz h ILE 50 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 2qhz h ILE 50 Cb 0.00 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 2qhz h ILE 50 CO 0.00 0.13 -0.09 0.61 -1.08 0.00 0.00 178.15 177.73 2qhz n GLY 51 N -1.25 0.68 0.00 8.18 0.00 -1.26 -5.08 105.19 106.46 2qhz n GLY 51 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2qhz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhz n GLY 52 N 1.28 0.74 3.80 -0.02 0.00 -1.12 -5.10 105.19 104.77 2qhz n GLY 52 Ca 0.12 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2qhz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qhz s PHE 53 N -1.36 3.31 0.19 1.61 0.40 -1.26 -0.74 117.98 120.12 2qhz s PHE 53 Ca 0.00 0.19 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 2qhz s PHE 53 Cb 0.00 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 2qhz s PHE 53 CO 0.00 0.56 -0.12 0.96 0.70 0.00 0.00 175.22 177.32 2qhz s ILE 54 N -1.28 1.49 -0.06 0.64 -4.36 -0.12 -4.98 121.20 112.53 2qhz s ILE 54 Ca 0.26 -2.14 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 2qhz s ILE 54 Cb -0.12 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 2qhz s ILE 54 CO 0.17 -0.62 0.44 -0.54 0.24 0.00 0.00 174.94 174.64 2qhz s LYS 55 N -3.70 4.16 0.26 0.37 1.02 -1.26 -1.80 119.74 118.79 2qhz s LYS 55 Ca 0.21 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.66 2qhz s LYS 55 Cb 0.01 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2qhz s LYS 55 CO 0.05 0.41 0.02 0.14 -0.92 0.00 0.00 175.35 175.04 2qhz s VAL 56 N -0.17 1.05 -0.21 3.17 -7.23 -0.18 -4.53 120.40 112.30 2qhz s VAL 56 Ca 0.24 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2qhz s VAL 56 Cb -0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2qhz s VAL 56 CO 0.11 -0.21 0.08 -0.13 -0.31 0.00 0.00 175.10 174.65 2qhz s ARG 57 N -3.88 3.87 -0.31 4.82 0.52 -0.07 -1.97 118.95 121.93 2qhz s ARG 57 Ca 0.32 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 2qhz s ARG 57 Cb 0.07 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2qhz s ARG 57 CO 0.11 0.08 0.36 -1.14 0.02 0.00 0.00 175.30 174.73 2qhz s GLN 58 N 0.92 3.76 -0.18 3.54 0.74 -0.08 -1.05 119.66 127.32 2qhz s GLN 58 Ca 0.04 -0.24 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 2qhz s GLN 58 Cb -0.14 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 2qhz s GLN 58 CO 0.03 -0.41 -0.04 0.71 -0.55 0.00 0.00 175.29 175.02 2qhz s TYR 59 N 2.03 2.99 0.14 1.67 1.51 -0.06 -2.06 117.35 123.58 2qhz s TYR 59 Ca 0.13 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2qhz s TYR 59 Cb -0.16 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2qhz s TYR 59 CO 0.11 -0.21 0.28 -0.51 -1.11 0.00 0.00 175.55 174.12 2qhz s ASP 60 N 0.74 6.34 -1.35 2.29 1.01 -1.26 -0.65 116.67 123.80 2qhz s ASP 60 Ca -0.02 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.42 2qhz s ASP 60 Cb -0.15 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.87 2qhz s ASP 60 CO 0.02 0.06 0.67 0.00 0.21 0.00 0.00 175.17 176.13 2qhz n GLN 61 N -0.46 -4.63 -3.59 8.23 1.13 -1.13 -4.90 117.38 112.02 2qhz n GLN 61 Ca -0.07 0.58 -0.37 0.00 -1.94 0.00 0.00 57.00 55.20 2qhz n GLN 61 Cb 0.54 -5.07 -0.09 0.00 0.11 0.00 0.00 30.24 25.72 2qhz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qhz s ILE 62 N -3.70 5.32 0.10 5.09 -1.09 -0.02 -4.72 121.20 122.18 2qhz s ILE 62 Ca 0.05 0.30 -0.31 0.00 -2.23 0.00 0.00 60.65 58.46 2qhz s ILE 62 Cb -0.03 -3.55 -0.07 0.00 -1.58 0.00 0.00 42.46 37.23 2qhz s ILE 62 CO 0.83 0.31 1.31 -2.84 -1.23 0.00 0.00 174.94 173.33 2qhz s PRO 63 N 1.19 4.37 -0.03 2.79 0.02 -1.26 -1.65 135.00 140.43 2qhz s PRO 63 Ca 0.10 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.11 2qhz s PRO 63 Cb -0.14 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.11 2qhz s PRO 63 CO 0.06 -0.35 -0.08 0.42 -0.33 0.00 0.00 177.00 176.71 2qhz s ILE 64 N 0.99 0.75 -0.35 2.83 1.01 -0.17 -4.49 121.20 121.77 2qhz s ILE 64 Ca 0.62 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.79 2qhz s ILE 64 Cb -0.34 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2qhz s ILE 64 CO 0.31 0.24 0.31 -0.70 0.00 0.00 0.00 174.94 175.10 2qhz s GLU 65 N 0.29 3.48 -0.37 2.79 2.12 -0.58 -0.51 118.70 125.92 2qhz s GLU 65 Ca -0.05 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 2qhz s GLU 65 Cb -0.09 -3.82 0.04 0.00 0.26 0.00 0.00 34.13 30.51 2qhz s GLU 65 CO 0.01 -0.52 0.18 0.42 -0.54 0.00 0.00 175.26 174.80 2qhz s ILE 66 N 1.88 4.24 -1.52 -3.70 1.01 0.88 -0.97 121.20 123.02 2qhz s ILE 66 Ca 0.09 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 2qhz s ILE 66 Cb -0.17 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 38.96 2qhz s ILE 66 CO 0.11 -0.25 0.71 0.00 0.00 0.00 0.00 174.94 175.51 2qhz n GLY 68 N -1.68 0.97 3.48 0.00 0.00 -1.26 -5.00 105.19 101.69 2qhz n GLY 68 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2qhz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qhz s HIS 69 N -3.53 2.97 0.05 1.61 4.02 0.01 -5.09 115.29 115.33 2qhz s HIS 69 Ca 0.00 -0.33 -0.28 0.00 1.02 0.00 0.00 55.06 55.47 2qhz s HIS 69 Cb 0.00 -1.90 -0.05 0.00 -1.02 0.00 0.00 32.58 29.61 2qhz s HIS 69 CO 0.00 -0.02 0.89 0.15 1.02 0.00 0.00 174.74 176.78 2qhz s LYS 70 N 0.21 4.59 0.10 1.40 1.02 -1.26 -0.09 119.74 125.71 2qhz s LYS 70 Ca -0.04 1.29 0.05 0.00 0.02 0.00 0.00 55.97 57.30 2qhz s LYS 70 Cb -0.14 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2qhz s LYS 70 CO 0.03 0.14 -0.12 0.00 -0.92 0.00 0.00 175.35 174.48 2qhz s ALA 71 N 0.35 1.27 -0.17 5.17 0.00 0.33 -4.62 121.76 124.08 2qhz s ALA 71 Ca 0.45 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2qhz s ALA 71 Cb -0.21 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 22.94 2qhz s ALA 71 CO 0.27 0.06 0.13 0.42 0.00 0.00 0.00 175.76 176.64 2qhz s ILE 72 N -2.06 -0.17 0.00 0.00 1.01 -1.26 -1.00 121.20 117.72 2qhz s ILE 72 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2qhz s ILE 72 Cb -0.05 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2qhz s ILE 72 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2qhz n GLY 73 N 5.29 1.95 3.71 6.18 0.00 -0.66 -4.78 105.19 116.89 2qhz n GLY 73 Ca -0.06 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2qhz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhz s THR 74 N -2.32 4.68 -0.10 2.61 2.01 -1.26 -0.84 115.64 120.42 2qhz s THR 74 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2qhz s THR 74 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2qhz s THR 74 CO 0.00 0.13 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.20 2qhz s VAL 75 N 1.17 1.59 -0.15 3.82 1.01 0.18 -4.43 120.40 123.60 2qhz s VAL 75 Ca 0.53 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2qhz s VAL 75 Cb -0.22 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2qhz s VAL 75 CO 0.27 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.18 2qhz s LEU 76 N 0.80 4.16 -0.11 3.92 1.43 -0.15 -0.88 118.68 127.84 2qhz s LEU 76 Ca -0.10 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2qhz s LEU 76 Cb -0.16 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2qhz s LEU 76 CO 0.01 0.31 -0.18 -0.69 0.23 0.00 0.00 176.35 176.03 2qhz s VAL 77 N -0.45 2.58 -2.18 -1.59 1.01 -0.21 -0.32 120.40 119.25 2qhz s VAL 77 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2qhz s VAL 77 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2qhz s VAL 77 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2qhz n GLY 78 N 3.48 -1.48 2.74 4.51 0.00 -0.48 -0.89 105.19 113.07 2qhz n GLY 78 Ca -0.18 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2qhz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qhz n PRO 79 N -0.13 2.34 -3.08 1.61 -0.04 -1.26 -3.89 135.00 130.55 2qhz n PRO 79 Ca 0.00 -1.96 -0.35 0.00 -0.04 0.00 0.00 63.50 61.15 2qhz n PRO 79 Cb 0.00 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 2qhz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qhz s THR 80 N 3.66 4.57 0.49 0.52 -1.32 -1.26 -4.99 115.64 117.31 2qhz s THR 80 Ca 0.52 1.24 0.19 0.00 -1.21 0.00 0.00 61.69 62.42 2qhz s THR 80 Cb 0.14 -3.79 0.25 0.00 -1.51 0.00 0.00 72.50 67.59 2qhz s THR 80 CO -0.00 0.08 2.10 1.55 -2.21 0.00 0.00 174.62 176.13 2qhz h PRO 81 N 3.03 0.00 -2.82 7.08 0.13 -1.98 -3.45 132.00 134.00 2qhz h PRO 81 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2qhz h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 2qhz h PRO 81 CO 0.65 0.08 -0.18 0.54 -0.23 0.00 0.00 178.00 178.86 2qhz s VAL 82 N -4.74 0.04 0.07 1.56 0.11 -1.26 -5.09 120.40 111.09 2qhz s VAL 82 Ca -0.04 -0.35 -0.34 0.00 -2.93 0.00 0.00 61.98 58.31 2qhz s VAL 82 Cb 0.16 -0.69 -0.13 0.00 -1.53 0.00 0.00 36.38 34.19 2qhz s VAL 82 CO 0.65 -0.19 1.71 0.59 -3.33 0.00 0.00 175.10 174.53 2qhz n ASN 83 N 1.30 3.30 -4.07 3.54 3.02 -1.26 -4.79 115.26 116.30 2qhz n ASN 83 Ca -0.21 1.03 -0.24 0.00 -0.03 0.00 0.00 54.58 55.14 2qhz n ASN 83 Cb 0.56 -1.42 -0.16 0.00 -0.61 0.00 0.00 39.78 38.16 2qhz n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2qhz s ILE 84 N 2.22 1.16 -0.33 2.41 -4.36 0.30 -0.40 121.20 122.20 2qhz s ILE 84 Ca 0.84 -0.56 -0.16 0.00 -0.26 0.00 0.00 60.65 60.51 2qhz s ILE 84 Cb -0.67 -1.01 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2qhz s ILE 84 CO 0.43 0.34 0.41 -0.63 0.24 0.00 0.00 174.94 175.73 2qhz s ILE 85 N 0.16 5.12 0.50 8.37 -1.09 0.42 -1.52 121.20 133.16 2qhz s ILE 85 Ca -0.05 0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 2qhz s ILE 85 Cb -0.11 -3.84 0.08 0.00 -1.58 0.00 0.00 42.46 37.01 2qhz s ILE 85 CO 0.02 -0.08 0.69 0.61 -1.23 0.00 0.00 174.94 174.94 2qhz n GLY 86 N 4.85 1.81 0.28 6.18 0.00 -1.20 -1.29 105.19 115.83 2qhz n GLY 86 Ca -0.08 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.84 2qhz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qhz h ARG 87 N 0.00 0.11 -0.92 1.61 3.08 -0.88 -1.20 114.38 116.18 2qhz h ARG 87 Ca -0.23 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 59.96 2qhz h ARG 87 Cb 1.04 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.99 2qhz h ARG 87 CO 0.32 0.07 0.59 -2.95 -1.07 0.00 0.00 179.97 176.93 2qhz h ASN 88 N 0.11 0.68 0.05 7.04 -1.07 -1.77 -1.85 115.58 118.77 2qhz h ASN 88 Ca 0.05 0.05 -0.35 0.00 0.07 0.00 0.00 56.30 56.12 2qhz h ASN 88 Cb 0.07 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.17 2qhz h ASN 88 CO -0.01 0.33 -2.31 0.18 0.07 0.00 0.00 177.43 175.69 2qhz n LEU 89 N -4.58 0.08 -0.37 6.14 4.77 -0.83 -4.06 117.00 118.16 2qhz n LEU 89 Ca 0.18 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2qhz n LEU 89 Cb 0.48 0.45 0.16 0.00 -2.33 0.00 0.00 43.42 42.19 2qhz n LEU 89 CO 0.28 0.47 1.28 -0.07 -1.33 0.00 0.00 177.39 178.02 2qhz h LEU 90 N 0.00 1.07 -0.82 2.23 3.38 -1.08 -1.59 115.31 118.49 2qhz h LEU 90 Ca -0.51 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 2qhz h LEU 90 Cb 2.18 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 2qhz h LEU 90 CO 0.03 0.71 0.30 0.71 0.09 0.00 0.00 178.44 180.28 2qhz h THR 91 N 1.23 1.26 -0.55 0.22 1.35 -1.53 -1.13 112.91 113.76 2qhz h THR 91 Ca 0.41 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 2qhz h THR 91 Cb 0.06 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 2qhz h THR 91 CO -0.14 0.34 0.28 1.56 -0.25 0.00 0.00 175.52 177.31 2qhz h GLN 92 N 1.13 0.77 -0.23 4.72 4.20 -1.45 -2.30 115.11 121.95 2qhz h GLN 92 Ca 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2qhz h GLN 92 Cb 0.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qhz h GLN 92 CO -0.02 0.58 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 2qhz n ILE 93 N -4.38 0.30 -1.87 2.54 -5.35 -0.91 -4.93 119.36 104.76 2qhz n ILE 93 Ca 0.05 -0.42 -0.03 0.00 -0.27 0.00 0.00 62.75 62.08 2qhz n ILE 93 Cb 0.11 0.39 -0.00 0.00 -1.74 0.00 0.00 39.64 38.41 2qhz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qhz n GLY 94 N 1.16 0.32 3.71 3.28 0.00 -0.87 -5.01 105.19 107.78 2qhz n GLY 94 Ca 0.16 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2qhz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhz s THR 96 N 1.08 1.40 -0.04 0.00 -4.23 -1.26 -4.65 115.64 107.94 2qhz s THR 96 Ca 0.50 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 2qhz s THR 96 Cb -0.20 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 2qhz s THR 96 CO 0.26 -0.67 0.37 -0.76 -0.54 0.00 0.00 174.62 173.28 2qhz s LEU 97 N -3.19 4.42 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.76 2qhz s LEU 97 Ca 0.19 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2qhz s LEU 97 Cb 0.01 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2qhz s LEU 97 CO 0.03 0.28 -0.01 0.20 0.23 0.00 0.00 176.35 177.08 2qhz s ASN 98 N -0.73 0.26 0.00 2.29 0.01 -1.26 -5.29 114.94 110.22 2qhz s ASN 98 Ca 0.22 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 2qhz s ASN 98 Cb -0.16 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.41 2qhz s ASN 98 CO 0.11 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.88