#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr0 s VAL 14 N 0.00 2.71 -0.06 3.84 1.01 -1.26 -5.00 120.40 121.64 2qr0 s VAL 14 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2qr0 s VAL 14 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qr0 s VAL 14 CO 0.00 0.15 0.71 -0.69 0.00 0.00 0.00 175.10 175.27 2qr0 s VAL 15 N -0.86 5.03 0.73 2.92 1.01 -1.26 -5.06 120.40 122.92 2qr0 s VAL 15 Ca 0.51 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 2qr0 s VAL 15 Cb -0.40 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 31.96 2qr0 s VAL 15 CO 0.51 0.26 1.10 -0.54 0.00 0.00 0.00 175.10 176.42 2qr0 s LYS 16 N 0.76 2.66 0.12 2.72 1.02 -1.26 -4.88 119.74 120.88 2qr0 s LYS 16 Ca 0.38 0.48 -0.22 0.00 0.02 0.00 0.00 55.97 56.63 2qr0 s LYS 16 Cb -0.18 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2qr0 s LYS 16 CO 0.18 -1.18 1.69 0.35 -0.92 0.00 0.00 175.35 175.47 2qr0 h PHE 17 N -0.76 -0.28 -0.02 3.18 3.57 -2.00 -2.55 116.94 118.08 2qr0 h PHE 17 Ca -0.45 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2qr0 h PHE 17 Cb 1.26 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 2qr0 h PHE 17 CO 0.49 -0.17 -0.09 0.52 -2.23 0.00 0.00 178.31 176.83 2qr0 h MET 18 N -0.16 0.03 -0.16 1.11 2.86 -2.00 -1.15 114.93 115.46 2qr0 h MET 18 Ca 0.07 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 2qr0 h MET 18 Cb 0.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2qr0 h MET 18 CO -0.17 0.12 -0.29 -0.44 1.06 0.00 0.00 176.91 177.19 2qr0 h ASP 19 N 0.03 0.53 -0.29 1.22 3.32 -1.87 -2.83 116.42 116.53 2qr0 h ASP 19 Ca 0.01 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 2qr0 h ASP 19 Cb 0.17 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2qr0 h ASP 19 CO 0.01 0.97 0.07 0.58 -1.72 0.00 0.00 179.24 179.16 2qr0 h VAL 20 N 0.10 1.21 0.09 -1.35 2.07 -0.99 -1.84 116.25 115.54 2qr0 h VAL 20 Ca 0.01 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2qr0 h VAL 20 Cb 0.88 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2qr0 h VAL 20 CO 0.06 0.23 -0.10 0.22 0.02 0.00 0.00 177.57 178.00 2qr0 h TYR 21 N 0.29 -0.27 -0.63 1.57 5.03 -1.33 -1.46 116.97 120.18 2qr0 h TYR 21 Ca 0.09 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 2qr0 h TYR 21 Cb 0.28 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 2qr0 h TYR 21 CO 0.01 -0.16 0.15 1.96 -1.32 0.00 0.00 178.16 178.79 2qr0 h GLN 22 N -0.23 1.00 0.00 1.82 4.20 -1.44 -1.71 115.11 118.75 2qr0 h GLN 22 Ca 0.01 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2qr0 h GLN 22 Cb 0.23 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qr0 h GLN 22 CO -0.04 0.89 -0.16 0.00 -0.67 0.00 0.00 178.83 178.85 2qr0 h ARG 23 N 0.95 0.00 -0.25 1.46 3.08 -1.24 -3.24 114.38 115.14 2qr0 h ARG 23 Ca 0.20 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2qr0 h ARG 23 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2qr0 h ARG 23 CO 0.00 0.16 -0.01 -1.13 -1.07 0.00 0.00 179.97 177.92 2qr0 n SER 24 N -3.21 3.42 -4.86 7.04 3.41 -0.56 -4.98 113.62 113.88 2qr0 n SER 24 Ca 0.02 -3.18 -0.34 0.00 -0.26 0.00 0.00 58.87 55.11 2qr0 n SER 24 Cb 0.48 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 2qr0 n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qr0 s TYR 25 N -2.92 3.54 -0.66 7.33 5.04 -0.68 -2.62 117.35 126.38 2qr0 s TYR 25 Ca 0.41 0.91 -0.36 0.00 -2.44 0.00 0.00 57.07 55.59 2qr0 s TYR 25 Cb 0.35 -2.26 -0.18 0.00 0.35 0.00 0.00 41.96 40.21 2qr0 s TYR 25 CO 0.06 0.40 2.37 0.00 -1.34 0.00 0.00 175.55 177.05 2qr0 s HIS 27 N 7.77 0.22 0.23 0.00 -3.43 -1.14 -4.78 115.29 114.16 2qr0 s HIS 27 Ca 1.23 -0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 54.60 2qr0 s HIS 27 Cb -1.21 0.05 -0.09 0.00 -1.43 0.00 0.00 32.58 29.91 2qr0 s HIS 27 CO 0.54 -0.73 1.10 -1.25 -2.00 0.00 0.00 174.74 172.40 2qr0 s PRO 28 N -3.92 4.61 -0.01 -0.38 0.05 -1.26 -2.84 135.00 131.25 2qr0 s PRO 28 Ca 0.13 1.77 -0.09 0.00 0.05 0.00 0.00 61.00 62.85 2qr0 s PRO 28 Cb 0.03 -3.23 0.01 0.00 0.05 0.00 0.00 34.50 31.35 2qr0 s PRO 28 CO -0.03 0.14 0.19 -1.50 0.05 0.00 0.00 177.00 175.85 2qr0 s ILE 29 N -0.67 0.07 -0.18 0.56 2.07 -0.65 -4.91 121.20 117.48 2qr0 s ILE 29 Ca 0.47 -0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 58.87 2qr0 s ILE 29 Cb -0.31 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.77 2qr0 s ILE 29 CO 0.38 -0.30 2.06 -0.70 -1.91 0.00 0.00 174.94 174.46 2qr0 s GLU 30 N -1.19 3.42 0.05 3.50 2.12 -1.26 -1.85 118.70 123.50 2qr0 s GLU 30 Ca -0.13 2.03 0.09 0.00 0.36 0.00 0.00 54.97 57.32 2qr0 s GLU 30 Cb -0.06 -4.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.02 2qr0 s GLU 30 CO 0.02 -1.77 -0.24 0.99 -0.54 0.00 0.00 175.26 173.72 2qr0 s THR 31 N 7.07 2.37 -0.42 -1.70 2.01 0.25 -4.95 115.64 120.27 2qr0 s THR 31 Ca 0.93 -1.36 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 2qr0 s THR 31 Cb -0.33 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.24 2qr0 s THR 31 CO 0.36 0.33 0.44 -0.76 -0.69 0.00 0.00 174.62 174.29 2qr0 s LEU 32 N -1.39 4.83 -0.16 4.42 1.43 -1.26 -0.31 118.68 126.24 2qr0 s LEU 32 Ca 0.13 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 2qr0 s LEU 32 Cb -0.10 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2qr0 s LEU 32 CO 0.04 -0.58 0.03 -0.69 0.23 0.00 0.00 176.35 175.38 2qr0 s VAL 33 N 2.15 4.54 0.17 -1.59 1.01 -0.21 -4.89 120.40 121.58 2qr0 s VAL 33 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2qr0 s VAL 33 Cb -0.17 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 2qr0 s VAL 33 CO 0.14 0.50 1.27 -0.62 0.00 0.00 0.00 175.10 176.39 2qr0 s ASP 34 N 0.08 6.97 0.27 3.32 3.68 -1.26 -0.72 116.67 129.00 2qr0 s ASP 34 Ca 0.04 2.30 -0.03 0.00 2.13 0.00 0.00 52.55 56.99 2qr0 s ASP 34 Cb -0.13 -2.60 0.35 0.00 -1.45 0.00 0.00 42.92 39.10 2qr0 s ASP 34 CO 0.01 -0.48 1.83 0.40 0.13 0.00 0.00 175.17 177.06 2qr0 h ILE 35 N 3.88 1.23 -0.66 4.11 2.04 -1.53 -2.70 117.51 123.89 2qr0 h ILE 35 Ca -0.44 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 64.73 2qr0 h ILE 35 Cb 1.21 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2qr0 h ILE 35 CO 0.78 0.30 0.34 -0.26 0.00 0.00 0.00 178.15 179.31 2qr0 h PHE 36 N 0.92 0.62 -0.91 1.37 -1.00 -1.80 -0.26 116.94 115.88 2qr0 h PHE 36 Ca 0.21 0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.08 2qr0 h PHE 36 Cb 0.22 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.54 2qr0 h PHE 36 CO 0.02 0.27 0.59 0.37 -1.61 0.00 0.00 178.31 177.95 2qr0 h GLN 37 N 0.62 1.03 0.11 1.51 4.15 -1.87 -2.72 115.11 117.94 2qr0 h GLN 37 Ca 0.31 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.50 2qr0 h GLN 37 Cb 0.25 -0.23 0.02 0.00 0.21 0.00 0.00 27.48 27.72 2qr0 h GLN 37 CO -0.21 0.68 -0.71 0.93 -1.93 0.00 0.00 178.83 177.59 2qr0 h GLU 38 N 1.06 0.28 -3.35 1.69 4.39 -1.36 -3.40 114.58 113.90 2qr0 h GLU 38 Ca 0.38 -0.45 -0.66 0.00 0.34 0.00 0.00 59.36 58.97 2qr0 h GLU 38 Cb 0.16 0.16 -0.39 0.00 -0.10 0.00 0.00 28.75 28.58 2qr0 h GLU 38 CO -0.14 1.20 -0.47 0.71 -1.16 0.00 0.00 179.01 179.16 2qr0 s TYR 39 N -2.52 3.44 -0.90 4.33 2.02 -0.16 -4.94 117.35 118.61 2qr0 s TYR 39 Ca -0.14 -3.08 0.27 0.00 -0.37 0.00 0.00 57.07 53.75 2qr0 s TYR 39 Cb 0.01 -2.95 0.79 0.00 -0.40 0.00 0.00 41.96 39.41 2qr0 s TYR 39 CO 0.82 -0.72 1.64 -0.35 -1.57 0.00 0.00 175.55 175.37 2qr0 n PRO 40 N 2.80 0.08 0.19 -1.71 -0.04 -1.03 -3.53 135.00 131.76 2qr0 n PRO 40 Ca 0.12 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2qr0 n PRO 40 Cb 0.35 -1.57 0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2qr0 n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2qr0 h ASP 41 N 0.00 0.00 -2.36 3.54 3.32 -1.92 -3.40 116.42 115.60 2qr0 h ASP 41 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 2qr0 h ASP 41 Cb 0.57 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.94 2qr0 h ASP 41 CO 0.00 0.21 1.03 -1.61 -1.72 0.00 0.00 179.24 177.15 2qr0 s GLU 42 N -3.11 3.82 -0.11 3.56 0.41 -1.23 -4.75 118.70 117.30 2qr0 s GLU 42 Ca 0.06 -2.16 0.11 0.00 -0.41 0.00 0.00 54.97 52.57 2qr0 s GLU 42 Cb 0.06 -4.96 -0.16 0.00 -1.78 0.00 0.00 34.13 27.29 2qr0 s GLU 42 CO 0.70 -1.75 0.07 -0.89 -0.49 0.00 0.00 175.26 172.91 2qr0 n ILE 43 N 5.03 0.74 -0.32 -1.63 5.41 -1.26 -4.39 119.36 122.94 2qr0 n ILE 43 Ca 0.29 -0.50 0.26 0.00 1.00 0.00 0.00 62.75 63.81 2qr0 n ILE 43 Cb 0.46 -0.57 0.58 0.00 -0.71 0.00 0.00 39.64 39.41 2qr0 n ILE 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2qr0 h GLU 44 N 0.00 0.26 -6.67 0.38 9.09 -1.98 -3.44 114.58 112.23 2qr0 h GLU 44 Ca -0.29 -0.02 -0.51 0.00 0.05 0.00 0.00 59.36 58.60 2qr0 h GLU 44 Cb 1.62 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.66 2qr0 h GLU 44 CO 0.02 0.17 -0.02 0.71 0.05 0.00 0.00 179.01 179.94 2qr0 s TYR 45 N -5.32 3.48 -0.16 2.06 4.12 -1.26 -4.59 117.35 115.68 2qr0 s TYR 45 Ca -0.08 0.82 -0.02 0.00 0.02 0.00 0.00 57.07 57.82 2qr0 s TYR 45 Cb 0.25 -2.26 -0.01 0.00 -1.52 0.00 0.00 41.96 38.41 2qr0 s TYR 45 CO 0.80 0.03 -0.09 0.42 0.02 0.00 0.00 175.55 176.72 2qr0 s ILE 46 N -2.25 3.26 -0.18 2.71 1.01 0.90 -4.96 121.20 121.70 2qr0 s ILE 46 Ca 0.47 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2qr0 s ILE 46 Cb -0.10 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 2qr0 s ILE 46 CO 0.31 0.50 0.12 -0.36 0.00 0.00 0.00 174.94 175.51 2qr0 s PHE 47 N 0.63 3.42 -0.14 3.97 0.08 -1.26 -0.25 117.98 124.43 2qr0 s PHE 47 Ca -0.05 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2qr0 s PHE 47 Cb -0.15 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2qr0 s PHE 47 CO 0.03 0.37 -0.13 0.21 -0.10 0.00 0.00 175.22 175.60 2qr0 s LYS 48 N 0.03 2.10 0.77 0.44 2.20 -0.09 -2.52 119.74 122.66 2qr0 s LYS 48 Ca 0.09 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2qr0 s LYS 48 Cb -0.11 -1.97 0.06 0.00 -1.51 0.00 0.00 37.83 34.30 2qr0 s LYS 48 CO -0.00 -0.24 1.11 -1.25 -0.36 0.00 0.00 175.35 174.61 2qr0 s PRO 49 N 1.52 2.20 0.21 4.03 0.04 -1.26 -1.24 135.00 140.50 2qr0 s PRO 49 Ca 0.04 1.29 0.25 0.00 0.04 0.00 0.00 61.00 62.62 2qr0 s PRO 49 Cb -0.13 -1.88 0.89 0.00 0.04 0.00 0.00 34.50 33.42 2qr0 s PRO 49 CO -0.10 -1.70 1.76 -1.13 0.04 0.00 0.00 177.00 175.86 2qr0 n SER 50 N -3.37 0.70 -4.15 6.66 3.41 -1.05 -4.83 113.62 111.00 2qr0 n SER 50 Ca 0.10 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2qr0 n SER 50 Cb 0.53 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 2qr0 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 s VAL 52 N -3.90 0.26 -0.37 0.00 -7.23 0.10 -4.90 120.40 104.37 2qr0 s VAL 52 Ca 0.17 -1.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 2qr0 s VAL 52 Cb 0.07 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 36.40 2qr0 s VAL 52 CO -0.02 -0.57 0.79 -2.16 -0.31 0.00 0.00 175.10 172.83 2qr0 s PRO 53 N -2.01 3.72 0.23 4.82 0.04 -1.26 -1.05 135.00 139.49 2qr0 s PRO 53 Ca -0.09 0.28 0.10 0.00 0.04 0.00 0.00 61.00 61.33 2qr0 s PRO 53 Cb -0.06 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 2qr0 s PRO 53 CO -0.02 -0.88 -0.17 -0.51 0.04 0.00 0.00 177.00 175.45 2qr0 s LEU 54 N 3.14 2.55 -0.24 -3.56 1.43 0.58 -4.94 118.68 117.64 2qr0 s LEU 54 Ca 0.32 -1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 2qr0 s LEU 54 Cb -0.13 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2qr0 s LEU 54 CO 0.18 -0.06 0.65 -0.04 0.23 0.00 0.00 176.35 177.31 2qr0 s MET 55 N -3.45 4.14 0.06 1.70 -1.94 -1.26 0.86 119.30 119.41 2qr0 s MET 55 Ca 0.24 0.60 0.02 0.00 -1.71 0.00 0.00 55.69 54.84 2qr0 s MET 55 Cb -0.03 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 2qr0 s MET 55 CO 0.10 -0.39 -0.07 1.03 -0.01 0.00 0.00 175.02 175.68 2qr0 s ARG 56 N 2.43 0.63 -0.36 2.03 1.81 -0.77 -1.06 118.95 123.66 2qr0 s ARG 56 Ca 0.27 -0.95 -0.29 0.00 -1.72 0.00 0.00 55.73 53.04 2qr0 s ARG 56 Cb -0.16 -0.26 -0.00 0.00 -0.45 0.00 0.00 34.95 34.08 2qr0 s ARG 56 CO 0.09 0.03 1.51 0.00 -0.68 0.00 0.00 175.30 176.24 2qr0 n GLY 58 N 5.05 4.31 0.00 0.00 0.00 -1.13 -4.94 105.19 108.47 2qr0 n GLY 58 Ca 0.18 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2qr0 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qr0 n GLY 59 N 4.33 -0.68 3.54 -0.02 0.00 -1.26 -2.89 105.19 108.22 2qr0 n GLY 59 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 2qr0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 n ASN 62 N -1.29 -3.73 -3.54 0.00 3.02 -1.26 -5.02 115.26 103.43 2qr0 n ASN 62 Ca 0.06 -0.54 0.02 0.00 -0.03 0.00 0.00 54.58 54.09 2qr0 n ASN 62 Cb 0.34 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 2qr0 n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qr0 s ASP 63 N -3.76 -0.16 0.47 6.41 -1.08 -1.26 -5.05 116.67 112.24 2qr0 s ASP 63 Ca 0.17 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.68 2qr0 s ASP 63 Cb -0.02 1.10 1.12 0.00 -1.46 0.00 0.00 42.92 43.66 2qr0 s ASP 63 CO 0.60 -0.04 1.93 -0.33 0.52 0.00 0.00 175.17 177.85 2qr0 h GLU 64 N 5.77 0.00 -0.29 4.34 4.39 -2.03 -2.94 114.58 123.82 2qr0 h GLU 64 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2qr0 h GLU 64 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2qr0 h GLU 64 CO 0.19 0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.65 2qr0 n GLY 65 N -0.26 0.38 3.11 -3.84 0.00 -1.26 -4.87 105.19 98.46 2qr0 n GLY 65 Ca -0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 2qr0 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr0 s LEU 66 N -1.03 2.23 0.13 0.99 1.43 -1.11 -3.51 118.68 117.81 2qr0 s LEU 66 Ca 0.21 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2qr0 s LEU 66 Cb 0.11 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 2qr0 s LEU 66 CO 0.14 -0.09 -0.16 -1.83 0.23 0.00 0.00 176.35 174.64 2qr0 s GLU 67 N -1.45 1.11 -0.32 1.70 -1.05 0.61 -4.80 118.70 114.49 2qr0 s GLU 67 Ca -0.04 -1.28 -0.20 0.00 -0.15 0.00 0.00 54.97 53.30 2qr0 s GLU 67 Cb -0.09 -1.09 -0.01 0.00 -0.44 0.00 0.00 34.13 32.50 2qr0 s GLU 67 CO 0.01 0.22 0.62 0.00 0.95 0.00 0.00 175.26 177.06 2qr0 s VAL 69 N 2.62 0.96 0.53 0.00 -7.23 -0.80 -4.90 120.40 111.59 2qr0 s VAL 69 Ca 0.24 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2qr0 s VAL 69 Cb -0.15 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2qr0 s VAL 69 CO 0.13 -0.71 0.92 -2.16 -0.31 0.00 0.00 175.10 172.97 2qr0 s PRO 70 N -3.43 3.69 0.05 4.82 0.04 -1.26 -1.24 135.00 137.67 2qr0 s PRO 70 Ca 0.11 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2qr0 s PRO 70 Cb 0.01 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2qr0 s PRO 70 CO -0.01 -0.34 0.00 0.25 0.04 0.00 0.00 177.00 176.94 2qr0 n THR 71 N -2.17 0.46 -3.49 1.26 -2.24 -0.43 -4.85 114.28 102.81 2qr0 n THR 71 Ca 0.04 0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.56 2qr0 n THR 71 Cb 0.54 -1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 2qr0 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qr0 s GLU 72 N -2.00 3.20 0.17 -0.78 2.12 -1.21 -5.00 118.70 115.19 2qr0 s GLU 72 Ca 0.00 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.53 2qr0 s GLU 72 Cb 0.00 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 2qr0 s GLU 72 CO 0.00 -0.62 0.15 -1.21 -0.54 0.00 0.00 175.26 173.05 2qr0 s GLU 73 N 1.70 2.95 0.34 4.30 2.02 -1.26 -0.43 118.70 128.33 2qr0 s GLU 73 Ca 0.06 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 2qr0 s GLU 73 Cb -0.18 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2qr0 s GLU 73 CO 0.10 0.48 0.46 -1.54 0.02 0.00 0.00 175.26 174.79 2qr0 s SER 74 N -3.15 0.97 0.02 -0.19 1.04 -0.73 -4.88 113.70 106.78 2qr0 s SER 74 Ca 0.31 -1.51 0.08 0.00 0.48 0.00 0.00 55.95 55.32 2qr0 s SER 74 Cb -0.10 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 2qr0 s SER 74 CO 0.24 -1.29 -0.24 0.20 0.98 0.00 0.00 173.24 173.13 2qr0 s ASN 75 N -3.25 2.81 0.00 7.02 0.01 -1.26 -0.78 114.94 119.50 2qr0 s ASN 75 Ca 0.31 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 2qr0 s ASN 75 Cb -0.00 -0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.37 2qr0 s ASN 75 CO 0.21 0.25 -0.12 -0.51 -1.51 0.00 0.00 177.10 175.41 2qr0 s ILE 76 N -0.70 0.94 -0.10 0.60 2.07 -0.58 -4.95 121.20 118.49 2qr0 s ILE 76 Ca 0.10 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 2qr0 s ILE 76 Cb -0.09 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 2qr0 s ILE 76 CO 0.01 0.19 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.20 2qr0 s THR 77 N -0.41 2.98 -0.01 4.00 2.01 -1.26 -0.07 115.64 122.88 2qr0 s THR 77 Ca 0.04 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.37 2qr0 s THR 77 Cb -0.05 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 2qr0 s THR 77 CO -0.00 0.55 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.29 2qr0 s MET 78 N -0.02 1.21 -0.15 4.92 1.00 0.12 -4.94 119.30 121.44 2qr0 s MET 78 Ca -0.04 -0.56 -0.29 0.00 0.00 0.00 0.00 55.69 54.80 2qr0 s MET 78 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 34.83 33.50 2qr0 s MET 78 CO 0.04 0.32 1.32 -0.65 0.00 0.00 0.00 175.02 176.05 2qr0 s GLN 79 N -0.42 4.23 -0.05 2.03 -0.21 -1.26 -0.68 119.66 123.29 2qr0 s GLN 79 Ca 0.06 1.73 0.04 0.00 0.02 0.00 0.00 55.36 57.21 2qr0 s GLN 79 Cb -0.06 -3.79 -0.00 0.00 1.00 0.00 0.00 33.01 30.16 2qr0 s GLN 79 CO -0.00 -0.72 -0.16 0.42 -2.12 0.00 0.00 175.29 172.70 2qr0 s ILE 80 N 3.54 1.37 -0.04 1.08 -1.09 0.37 -4.95 121.20 121.48 2qr0 s ILE 80 Ca 0.57 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 2qr0 s ILE 80 Cb -0.23 -1.19 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2qr0 s ILE 80 CO 0.17 0.40 1.19 -0.32 -1.23 0.00 0.00 174.94 175.15 2qr0 s MET 81 N 0.16 4.37 -0.32 2.79 -2.45 -0.37 -0.95 119.30 122.52 2qr0 s MET 81 Ca -0.06 1.68 0.03 0.00 -1.25 0.00 0.00 55.69 56.09 2qr0 s MET 81 Cb -0.12 -3.53 0.09 0.00 1.25 0.00 0.00 34.83 32.52 2qr0 s MET 81 CO 0.03 -0.41 0.03 1.03 1.05 0.00 0.00 175.02 176.74 2qr0 s ARG 82 N 2.03 1.52 0.10 4.11 0.52 0.20 -0.92 118.95 126.52 2qr0 s ARG 82 Ca 0.56 -1.66 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 2qr0 s ARG 82 Cb -0.25 -2.99 -0.07 0.00 0.52 0.00 0.00 34.95 32.15 2qr0 s ARG 82 CO 0.23 -0.87 0.64 0.42 0.02 0.00 0.00 175.30 175.74 2qr0 s ILE 83 N 1.04 4.62 -0.43 1.52 1.01 0.66 -3.30 121.20 126.32 2qr0 s ILE 83 Ca 0.07 1.39 0.02 0.00 0.00 0.00 0.00 60.65 62.13 2qr0 s ILE 83 Cb -0.19 -3.99 0.13 0.00 0.01 0.00 0.00 42.46 38.43 2qr0 s ILE 83 CO -0.09 0.54 0.22 -0.75 0.00 0.00 0.00 174.94 174.85 2qr0 s LYS 84 N -1.08 1.29 0.21 2.79 2.20 -0.59 -0.07 119.74 124.48 2qr0 s LYS 84 Ca 0.31 -1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 53.66 2qr0 s LYS 84 Cb -0.21 -2.41 -0.16 0.00 -1.51 0.00 0.00 37.83 33.55 2qr0 s LYS 84 CO 0.21 -1.13 0.95 -2.30 -0.36 0.00 0.00 175.35 172.72 2qr0 n PRO 85 N 3.66 0.86 -2.09 4.03 -0.01 -1.26 -1.71 135.00 138.49 2qr0 n PRO 85 Ca 0.07 0.30 -0.19 0.00 -0.01 0.00 0.00 63.50 63.68 2qr0 n PRO 85 Cb 0.35 -1.64 -0.03 0.00 -0.01 0.00 0.00 33.50 32.17 2qr0 n PRO 85 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 175.50 176.21 2qr0 n HIS 86 N 0.71 -0.60 0.00 6.00 8.25 -1.26 -4.78 115.22 123.55 2qr0 n HIS 86 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2qr0 n HIS 86 Cb 0.26 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 27.86 2qr0 n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2qr0 n GLN 87 N -2.69 0.00 -3.60 -0.41 7.27 -0.69 -5.18 117.38 112.08 2qr0 n GLN 87 Ca -0.21 0.00 0.01 0.00 0.07 0.00 0.00 57.00 56.86 2qr0 n GLN 87 Cb 0.65 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.29 2qr0 n GLN 87 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2qr0 s GLY 88 N -2.74 -0.39 0.27 1.69 0.00 -0.98 -5.05 107.32 100.12 2qr0 s GLY 88 Ca 0.00 1.09 0.11 0.00 0.00 0.00 0.00 44.72 45.92 2qr0 s GLY 88 CO 0.00 0.28 -0.19 -0.86 0.00 0.00 0.00 173.10 172.33 2qr0 s GLN 89 N -2.28 1.64 -0.09 2.90 -2.07 -1.26 -1.55 119.66 116.96 2qr0 s GLN 89 Ca 0.13 -1.76 -0.30 0.00 -1.82 0.00 0.00 55.36 51.61 2qr0 s GLN 89 Cb 0.04 -1.68 0.12 0.00 -1.09 0.00 0.00 33.01 30.40 2qr0 s GLN 89 CO -0.05 0.30 0.99 -3.38 -1.32 0.00 0.00 175.29 171.83 2qr0 s HIS 90 N -2.58 -0.30 -0.48 9.60 -3.43 -1.21 -5.00 115.29 111.90 2qr0 s HIS 90 Ca 0.29 0.28 -0.24 0.00 -0.80 0.00 0.00 55.06 54.60 2qr0 s HIS 90 Cb -0.04 0.51 0.03 0.00 -1.43 0.00 0.00 32.58 31.65 2qr0 s HIS 90 CO 0.14 -0.42 0.86 0.42 -2.00 0.00 0.00 174.74 173.75 2qr0 s ILE 91 N -2.45 4.54 0.06 -5.38 -1.09 -1.26 -0.62 121.20 114.99 2qr0 s ILE 91 Ca 0.04 0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.97 2qr0 s ILE 91 Cb -0.01 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2qr0 s ILE 91 CO -0.06 -0.85 -0.01 -0.83 -1.23 0.00 0.00 174.94 171.97 2qr0 s GLY 92 N 2.35 1.90 -0.33 6.18 0.00 -0.12 -4.90 107.32 112.39 2qr0 s GLY 92 Ca 0.32 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2qr0 s GLY 92 CO 0.23 -1.02 0.73 -0.54 0.00 0.00 0.00 173.10 172.50 2qr0 s GLU 93 N -2.07 3.83 -0.13 2.90 2.02 -1.26 -0.48 118.70 123.51 2qr0 s GLU 93 Ca 0.24 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.57 2qr0 s GLU 93 Cb -0.12 -3.77 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 2qr0 s GLU 93 CO 0.16 -0.72 -0.11 -1.64 0.02 0.00 0.00 175.26 172.96 2qr0 s MET 94 N 2.89 3.43 0.19 1.61 -1.94 0.14 -4.92 119.30 120.71 2qr0 s MET 94 Ca 0.29 -0.66 -0.19 0.00 -1.71 0.00 0.00 55.69 53.43 2qr0 s MET 94 Cb -0.14 -2.68 -0.08 0.00 2.01 0.00 0.00 34.83 33.94 2qr0 s MET 94 CO 0.14 0.22 0.68 0.45 -0.01 0.00 0.00 175.02 176.50 2qr0 s SER 95 N 0.36 7.03 0.03 3.03 0.15 -1.26 -0.70 113.70 122.33 2qr0 s SER 95 Ca -0.10 1.35 0.02 0.00 0.70 0.00 0.00 55.95 57.93 2qr0 s SER 95 Cb -0.16 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2qr0 s SER 95 CO 0.05 0.07 -0.07 -0.36 1.20 0.00 0.00 173.24 174.13 2qr0 s PHE 96 N -1.46 0.64 0.05 3.44 0.08 0.90 -4.98 117.98 116.65 2qr0 s PHE 96 Ca 0.40 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 2qr0 s PHE 96 Cb -0.17 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 2qr0 s PHE 96 CO 0.21 -0.05 0.96 -1.17 -0.10 0.00 0.00 175.22 175.07 2qr0 s LEU 97 N -1.08 4.43 0.29 -0.37 2.96 -1.26 -1.53 118.68 122.12 2qr0 s LEU 97 Ca -0.05 1.70 0.10 0.00 -0.22 0.00 0.00 54.13 55.66 2qr0 s LEU 97 Cb -0.07 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2qr0 s LEU 97 CO 0.00 -0.17 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.62 2qr0 s GLN 98 N 0.54 1.68 -0.14 1.98 -0.21 0.04 -4.83 119.66 118.73 2qr0 s GLN 98 Ca 0.49 -1.81 -0.01 0.00 0.02 0.00 0.00 55.36 54.06 2qr0 s GLN 98 Cb -0.22 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 2qr0 s GLN 98 CO 0.28 0.24 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.57 2qr0 s HIS 99 N -2.62 2.86 -0.13 0.91 3.76 -0.22 -1.78 115.29 118.07 2qr0 s HIS 99 Ca 0.30 -0.58 0.16 0.00 -0.15 0.00 0.00 55.06 54.79 2qr0 s HIS 99 Cb -0.02 -1.87 -0.23 0.00 1.11 0.00 0.00 32.58 31.57 2qr0 s HIS 99 CO 0.14 -0.18 0.15 0.09 -0.85 0.00 0.00 174.74 174.10 2qr0 n ASN 100 N 3.55 0.82 -3.73 1.40 3.02 0.43 -4.62 115.26 116.12 2qr0 n ASN 100 Ca -0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.25 2qr0 n ASN 100 Cb 0.53 1.17 -0.11 0.00 -0.61 0.00 0.00 39.78 40.76 2qr0 n ASN 100 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2qr0 s LYS 101 N -2.65 0.36 0.23 3.52 2.20 -1.16 -4.88 119.74 117.36 2qr0 s LYS 101 Ca -0.08 0.57 0.10 0.00 -0.36 0.00 0.00 55.97 56.20 2qr0 s LYS 101 Cb 0.07 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2qr0 s LYS 101 CO 0.71 -0.10 -0.14 0.00 -0.36 0.00 0.00 175.35 175.46 2qr0 s GLU 103 N -3.15 0.64 -0.06 0.00 2.12 -0.37 -4.91 118.70 112.98 2qr0 s GLU 103 Ca 0.27 -0.24 -0.24 0.00 0.36 0.00 0.00 54.97 55.11 2qr0 s GLU 103 Cb -0.07 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 2qr0 s GLU 103 CO 0.15 -0.17 0.74 0.00 -0.54 0.00 0.00 175.26 175.43 2qr0 s ARG 105 N 0.83 0.75 0.42 0.00 1.81 -0.29 -4.96 118.95 117.51 2qr0 s ARG 105 Ca 0.39 -1.32 -0.23 0.00 -1.72 0.00 0.00 55.73 52.85 2qr0 s ARG 105 Cb -0.18 0.22 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 2qr0 s ARG 105 CO 0.19 -0.18 1.04 -2.14 -0.68 0.00 0.00 175.30 173.54 2qr0 s PRO 106 N -3.98 4.09 0.00 3.54 0.02 -1.26 -0.28 135.00 137.13 2qr0 s PRO 106 Ca 0.15 1.46 0.25 0.00 0.02 0.00 0.00 61.00 62.87 2qr0 s PRO 106 Cb 0.08 -2.42 1.47 0.00 0.02 0.00 0.00 34.50 33.65 2qr0 s PRO 106 CO -0.05 -0.20 1.84 1.63 -0.33 0.00 0.00 177.00 179.89