#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 2.59 -0.06 3.84 1.01 -1.26 -5.00 120.40 121.52 2qr0 s VAL 14 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 2qr0 s VAL 14 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2qr0 s VAL 14 CO 0.00 0.14 0.68 -0.69 0.00 0.00 0.00 175.10 175.23 2qr0 s VAL 15 N -1.05 5.04 0.73 2.92 1.01 -1.26 -5.06 120.40 122.73 2qr0 s VAL 15 Ca 0.50 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 2qr0 s VAL 15 Cb -0.41 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 31.97 2qr0 s VAL 15 CO 0.54 0.27 1.10 -0.54 0.00 0.00 0.00 175.10 176.47 2qr0 s LYS 16 N 0.72 2.69 0.12 2.72 1.02 -1.26 -4.88 119.74 120.87 2qr0 s LYS 16 Ca 0.36 0.48 -0.21 0.00 0.02 0.00 0.00 55.97 56.62 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 -1.16 1.70 0.35 -0.92 0.00 0.00 175.35 175.50 2qr0 h PHE 17 N -0.75 -0.17 -0.03 3.18 3.57 -2.00 -2.58 116.94 118.16 2qr0 h PHE 17 Ca -0.45 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2qr0 h PHE 17 Cb 1.26 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2qr0 h PHE 17 CO 0.49 -0.11 -0.10 0.52 -2.23 0.00 0.00 178.31 176.88 2qr0 h MET 18 N -0.07 0.05 -0.16 1.11 2.86 -2.00 -1.19 114.93 115.54 2qr0 h MET 18 Ca 0.07 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2qr0 h MET 18 Cb 0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2qr0 h MET 18 CO -0.17 0.15 -0.26 -0.44 1.06 0.00 0.00 176.91 177.25 2qr0 h ASP 19 N 0.05 0.51 -0.26 1.22 3.32 -1.87 -2.85 116.42 116.53 2qr0 h ASP 19 Ca 0.01 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 2qr0 h ASP 19 Cb 0.21 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qr0 h ASP 19 CO 0.01 0.95 0.08 0.58 -1.72 0.00 0.00 179.24 179.13 2qr0 h VAL 20 N 0.09 1.20 0.07 -1.35 2.07 -1.04 -1.90 116.25 115.39 2qr0 h VAL 20 Ca 0.01 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2qr0 h VAL 20 Cb 0.85 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2qr0 h VAL 20 CO 0.06 0.21 -0.11 0.22 0.02 0.00 0.00 177.57 177.98 2qr0 h TYR 21 N 0.26 -0.28 -0.59 1.57 5.03 -1.33 -1.36 116.97 120.27 2qr0 h TYR 21 Ca 0.08 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.33 2qr0 h TYR 21 Cb 0.26 0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 2qr0 h TYR 21 CO 0.01 -0.17 0.10 1.96 -1.32 0.00 0.00 178.16 178.74 2qr0 h GLN 22 N -0.22 0.94 0.00 1.82 4.20 -1.44 -1.78 115.11 118.62 2qr0 h GLN 22 Ca 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 2qr0 h GLN 22 Cb 0.23 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2qr0 h GLN 22 CO -0.06 0.86 -0.15 0.00 -0.67 0.00 0.00 178.83 178.81 2qr0 h ARG 23 N 0.89 0.00 -0.25 1.46 3.08 -1.25 -3.25 114.38 115.06 2qr0 h ARG 23 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2qr0 h ARG 23 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2qr0 h ARG 23 CO 0.01 0.15 -0.01 -1.13 -1.07 0.00 0.00 179.97 177.93 2qr0 n SER 24 N -3.19 3.56 -4.86 7.04 3.41 -0.52 -4.98 113.62 114.07 2qr0 n SER 24 Ca 0.02 -3.13 -0.34 0.00 -0.26 0.00 0.00 58.87 55.16 2qr0 n SER 24 Cb 0.50 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.89 3.54 -0.64 7.33 5.04 -0.70 -2.56 117.35 126.46 2qr0 s TYR 25 Ca 0.42 0.91 -0.37 0.00 -2.44 0.00 0.00 57.07 55.59 2qr0 s TYR 25 Cb 0.34 -2.27 -0.18 0.00 0.35 0.00 0.00 41.96 40.21 2qr0 s TYR 25 CO 0.07 0.41 2.36 0.00 -1.34 0.00 0.00 175.55 177.05 2qr0 s HIS 27 N 7.73 0.24 0.23 0.00 -3.43 -1.14 -4.78 115.29 114.14 2qr0 s HIS 27 Ca 1.22 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 2qr0 s HIS 27 Cb -1.20 0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 29.89 2qr0 s HIS 27 CO 0.54 -0.72 1.11 -1.25 -2.00 0.00 0.00 174.74 172.42 2qr0 s PRO 28 N -3.92 4.61 -0.01 -0.38 0.05 -1.26 -2.85 135.00 131.23 2qr0 s PRO 28 Ca 0.13 1.78 -0.10 0.00 0.05 0.00 0.00 61.00 62.86 2qr0 s PRO 28 Cb 0.03 -3.23 0.01 0.00 0.05 0.00 0.00 34.50 31.36 2qr0 s PRO 28 CO -0.03 0.14 0.20 -1.50 0.05 0.00 0.00 177.00 175.86 2qr0 s ILE 29 N -0.72 0.07 -0.19 0.56 2.07 -0.71 -4.91 121.20 117.37 2qr0 s ILE 29 Ca 0.47 -0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 58.89 2qr0 s ILE 29 Cb -0.31 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 2qr0 s ILE 29 CO 0.38 -0.30 2.05 -0.70 -1.91 0.00 0.00 174.94 174.46 2qr0 s GLU 30 N -1.19 3.40 0.05 3.50 2.12 -1.26 -1.81 118.70 123.50 2qr0 s GLU 30 Ca -0.13 1.99 0.09 0.00 0.36 0.00 0.00 54.97 57.28 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 -1.79 -0.24 0.99 -0.54 0.00 0.00 175.26 173.70 2qr0 s THR 31 N 7.13 2.34 -0.41 -1.70 2.01 0.26 -4.95 115.64 120.32 2qr0 s THR 31 Ca 0.92 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 2qr0 s THR 31 Cb -0.32 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.27 2qr0 s THR 31 CO 0.35 0.35 0.44 -0.76 -0.69 0.00 0.00 174.62 174.31 2qr0 s LEU 32 N -1.33 4.81 -0.15 4.42 1.43 -1.26 -0.39 118.68 126.21 2qr0 s LEU 32 Ca 0.13 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2qr0 s LEU 32 Cb -0.10 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2qr0 s LEU 32 CO 0.03 -0.56 0.02 -0.69 0.23 0.00 0.00 176.35 175.38 2qr0 s VAL 33 N 2.14 4.45 0.15 -1.59 1.01 -0.10 -4.89 120.40 121.58 2qr0 s VAL 33 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2qr0 s VAL 33 Cb -0.17 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 2qr0 s VAL 33 CO 0.14 0.51 1.25 -0.62 0.00 0.00 0.00 175.10 176.38 2qr0 s ASP 34 N 0.01 7.00 0.27 3.32 3.68 -1.26 -0.71 116.67 128.98 2qr0 s ASP 34 Ca 0.04 2.24 -0.03 0.00 2.13 0.00 0.00 52.55 56.93 2qr0 s ASP 34 Cb -0.13 -2.60 0.36 0.00 -1.45 0.00 0.00 42.92 39.11 2qr0 s ASP 34 CO 0.02 -0.47 1.85 0.40 0.13 0.00 0.00 175.17 177.09 2qr0 h ILE 35 N 3.99 1.23 -0.63 4.11 2.04 -1.51 -2.63 117.51 124.10 2qr0 h ILE 35 Ca -0.44 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 64.79 2qr0 h ILE 35 Cb 1.21 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2qr0 h ILE 35 CO 0.78 0.29 0.29 -0.26 0.00 0.00 0.00 178.15 179.25 2qr0 h PHE 36 N 0.95 0.53 -0.82 1.37 -1.00 -1.80 -0.04 116.94 116.13 2qr0 h PHE 36 Ca 0.22 0.03 0.05 0.00 2.81 0.00 0.00 57.97 61.08 2qr0 h PHE 36 Cb 0.18 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 2qr0 h PHE 36 CO 0.01 0.20 0.54 0.37 -1.61 0.00 0.00 178.31 177.82 2qr0 h GLN 37 N 0.53 0.92 0.15 1.51 4.15 -1.86 -2.62 115.11 117.88 2qr0 h GLN 37 Ca 0.30 -0.06 -0.21 0.00 0.77 0.00 0.00 58.65 59.45 2qr0 h GLN 37 Cb 0.30 -0.21 0.02 0.00 0.21 0.00 0.00 27.48 27.80 2qr0 h GLN 37 CO -0.25 0.61 -0.97 0.93 -1.93 0.00 0.00 178.83 177.22 2qr0 h GLU 38 N 0.95 0.32 -3.33 1.69 4.39 -1.34 -3.40 114.58 113.85 2qr0 h GLU 38 Ca 0.34 -0.54 -0.65 0.00 0.34 0.00 0.00 59.36 58.85 2qr0 h GLU 38 Cb 0.15 0.20 -0.40 0.00 -0.10 0.00 0.00 28.75 28.61 2qr0 h GLU 38 CO -0.11 1.26 -0.51 0.71 -1.16 0.00 0.00 179.01 179.20 2qr0 s TYR 39 N -2.45 3.40 -0.89 4.33 2.02 -0.09 -4.94 117.35 118.73 2qr0 s TYR 39 Ca -0.14 -3.12 0.26 0.00 -0.37 0.00 0.00 57.07 53.70 2qr0 s TYR 39 Cb 0.02 -2.91 0.75 0.00 -0.40 0.00 0.00 41.96 39.41 2qr0 s TYR 39 CO 0.83 -0.71 1.61 -0.35 -1.57 0.00 0.00 175.55 175.37 2qr0 n PRO 40 N 2.78 0.10 0.18 -1.71 -0.04 -1.00 -3.53 135.00 131.78 2qr0 n PRO 40 Ca 0.11 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2qr0 n PRO 40 Cb 0.34 -1.58 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.37 3.54 3.32 -1.92 -3.40 116.42 115.59 2qr0 h ASP 41 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2qr0 h ASP 41 Cb 0.58 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.96 2qr0 h ASP 41 CO 0.00 0.28 0.99 -1.61 -1.72 0.00 0.00 179.24 177.18 2qr0 s GLU 42 N -3.10 3.77 -0.11 3.56 0.41 -1.23 -4.74 118.70 117.26 2qr0 s GLU 42 Ca 0.05 -2.07 0.11 0.00 -0.41 0.00 0.00 54.97 52.65 2qr0 s GLU 42 Cb 0.07 -4.95 -0.15 0.00 -1.78 0.00 0.00 34.13 27.31 2qr0 s GLU 42 CO 0.71 -1.75 0.07 -0.89 -0.49 0.00 0.00 175.26 172.90 2qr0 n ILE 43 N 5.13 0.73 -0.32 -1.63 5.41 -1.26 -4.40 119.36 123.01 2qr0 n ILE 43 Ca 0.28 -0.48 0.26 0.00 1.00 0.00 0.00 62.75 63.81 2qr0 n ILE 43 Cb 0.47 -0.59 0.57 0.00 -0.71 0.00 0.00 39.64 39.38 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 0.28 -6.68 0.38 9.09 -1.98 -3.44 114.58 112.23 2qr0 h GLU 44 Ca -0.29 -0.02 -0.50 0.00 0.05 0.00 0.00 59.36 58.60 2qr0 h GLU 44 Cb 1.61 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.65 2qr0 h GLU 44 CO 0.02 0.18 -0.01 0.71 0.05 0.00 0.00 179.01 179.96 2qr0 s TYR 45 N -5.35 3.48 -0.15 2.06 4.12 -1.26 -4.60 117.35 115.65 2qr0 s TYR 45 Ca -0.08 0.84 -0.02 0.00 0.02 0.00 0.00 57.07 57.84 2qr0 s TYR 45 Cb 0.25 -2.27 -0.02 0.00 -1.52 0.00 0.00 41.96 38.40 2qr0 s TYR 45 CO 0.80 0.02 -0.09 0.42 0.02 0.00 0.00 175.55 176.72 2qr0 s ILE 46 N -2.25 3.30 -0.17 2.71 1.01 0.11 -4.96 121.20 120.94 2qr0 s ILE 46 Ca 0.48 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 2qr0 s ILE 46 Cb -0.10 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 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 0.57 3.41 -0.14 3.97 0.08 -1.26 -0.14 117.98 124.46 2qr0 s PHE 47 Ca -0.06 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.31 2qr0 s PHE 47 Cb -0.15 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2qr0 s PHE 47 CO 0.03 0.37 -0.12 0.21 -0.10 0.00 0.00 175.22 175.61 2qr0 s LYS 48 N 0.01 2.10 0.76 0.44 2.20 -0.08 -2.55 119.74 122.62 2qr0 s LYS 48 Ca 0.09 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 2qr0 s LYS 48 Cb -0.11 -2.00 0.05 0.00 -1.51 0.00 0.00 37.83 34.25 2qr0 s LYS 48 CO -0.00 -0.26 1.10 -1.25 -0.36 0.00 0.00 175.35 174.58 2qr0 s PRO 49 N 1.54 2.26 0.22 4.03 0.04 -1.26 -1.22 135.00 140.60 2qr0 s PRO 49 Ca 0.05 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.59 2qr0 s PRO 49 Cb -0.13 -1.89 0.88 0.00 0.04 0.00 0.00 34.50 33.40 2qr0 s PRO 49 CO -0.10 -1.65 1.75 -1.13 0.04 0.00 0.00 177.00 175.91 2qr0 n SER 50 N -3.35 0.74 -4.15 6.66 3.41 -1.06 -4.83 113.62 111.04 2qr0 n SER 50 Ca 0.10 0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2qr0 n SER 50 Cb 0.53 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.25 -0.39 0.00 -7.23 0.12 -4.90 120.40 104.36 2qr0 s VAL 52 Ca 0.18 -1.17 -0.23 0.00 -1.81 0.00 0.00 61.98 58.95 2qr0 s VAL 52 Cb 0.07 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.39 2qr0 s VAL 52 CO -0.01 -0.59 0.80 -2.16 -0.31 0.00 0.00 175.10 172.82 2qr0 s PRO 53 N -2.07 3.68 0.23 4.82 0.04 -1.26 -0.92 135.00 139.51 2qr0 s PRO 53 Ca -0.09 0.23 0.10 0.00 0.04 0.00 0.00 61.00 61.28 2qr0 s PRO 53 Cb -0.06 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2qr0 s PRO 53 CO -0.03 -0.93 -0.18 -0.51 0.04 0.00 0.00 177.00 175.40 2qr0 s LEU 54 N 3.19 2.55 -0.25 -3.56 1.43 0.48 -4.94 118.68 117.57 2qr0 s LEU 54 Ca 0.32 -0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 2qr0 s LEU 54 Cb -0.13 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2qr0 s LEU 54 CO 0.19 -0.06 0.64 -0.04 0.23 0.00 0.00 176.35 177.31 2qr0 s MET 55 N -3.43 4.12 0.05 1.70 -1.94 -1.26 0.90 119.30 119.44 2qr0 s MET 55 Ca 0.24 0.57 0.02 0.00 -1.71 0.00 0.00 55.69 54.81 2qr0 s MET 55 Cb -0.03 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 2qr0 s MET 55 CO 0.10 -0.41 -0.07 1.03 -0.01 0.00 0.00 175.02 175.66 2qr0 s ARG 56 N 2.48 0.59 -0.35 2.03 1.81 -0.75 -1.04 118.95 123.72 2qr0 s ARG 56 Ca 0.27 -0.91 -0.29 0.00 -1.72 0.00 0.00 55.73 53.09 2qr0 s ARG 56 Cb -0.15 -0.23 -0.00 0.00 -0.45 0.00 0.00 34.95 34.11 2qr0 s ARG 56 CO 0.08 0.02 1.54 0.00 -0.68 0.00 0.00 175.30 176.26 2qr0 n GLY 58 N 5.05 4.16 0.00 0.00 0.00 -1.13 -4.95 105.19 108.32 2qr0 n GLY 58 Ca 0.18 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 4.18 -0.59 3.57 -0.02 0.00 -1.26 -2.86 105.19 108.21 2qr0 n GLY 59 Ca -0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.31 -3.98 -3.55 0.00 3.02 -1.26 -5.02 115.26 103.15 2qr0 n ASN 62 Ca 0.06 -0.55 0.02 0.00 -0.03 0.00 0.00 54.58 54.08 2qr0 n ASN 62 Cb 0.34 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.07 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 -3.72 -0.12 0.47 6.41 -1.08 -1.26 -5.05 116.67 112.31 2qr0 s ASP 63 Ca 0.19 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.66 2qr0 s ASP 63 Cb -0.03 1.07 1.11 0.00 -1.46 0.00 0.00 42.92 43.62 2qr0 s ASP 63 CO 0.61 -0.03 1.92 -0.33 0.52 0.00 0.00 175.17 177.86 2qr0 h GLU 64 N 5.68 0.00 -0.32 4.34 4.39 -2.03 -2.95 114.58 123.67 2qr0 h GLU 64 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 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 -0.21 0.49 3.11 -3.84 0.00 -1.26 -4.88 105.19 98.60 2qr0 n GLY 65 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.00 2.23 0.13 0.99 1.43 -1.12 -3.53 118.68 117.80 2qr0 s LEU 66 Ca 0.21 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2qr0 s LEU 66 Cb 0.11 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 2qr0 s LEU 66 CO 0.14 -0.10 -0.16 -1.83 0.23 0.00 0.00 176.35 174.63 2qr0 s GLU 67 N -1.45 1.10 -0.33 1.70 -1.05 0.67 -4.80 118.70 114.54 2qr0 s GLU 67 Ca -0.04 -1.26 -0.20 0.00 -0.15 0.00 0.00 54.97 53.32 2qr0 s GLU 67 Cb -0.09 -1.09 -0.00 0.00 -0.44 0.00 0.00 34.13 32.50 2qr0 s GLU 67 CO 0.01 0.22 0.64 0.00 0.95 0.00 0.00 175.26 177.09 2qr0 s VAL 69 N 2.67 0.92 0.52 0.00 -7.23 -0.78 -4.90 120.40 111.60 2qr0 s VAL 69 Ca 0.25 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 2qr0 s VAL 69 Cb -0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2qr0 s VAL 69 CO 0.13 -0.72 0.92 -2.16 -0.31 0.00 0.00 175.10 172.96 2qr0 s PRO 70 N -3.41 3.70 0.05 4.82 0.04 -1.26 -1.28 135.00 137.66 2qr0 s PRO 70 Ca 0.11 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2qr0 s PRO 70 Cb 0.01 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2qr0 s PRO 70 CO -0.01 -0.32 0.00 0.25 0.04 0.00 0.00 177.00 176.96 2qr0 n THR 71 N -2.09 0.52 -3.46 1.26 -2.24 -0.43 -4.86 114.28 102.98 2qr0 n THR 71 Ca 0.04 0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 2qr0 n THR 71 Cb 0.54 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.20 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 3.25 0.18 -0.78 2.12 -1.21 -5.00 118.70 115.25 2qr0 s GLU 72 Ca 0.00 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.60 2qr0 s GLU 72 Cb 0.00 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2qr0 s GLU 72 CO 0.00 -0.62 0.16 -1.21 -0.54 0.00 0.00 175.26 173.05 2qr0 s GLU 73 N 1.79 2.94 0.35 4.30 2.02 -1.26 -0.51 118.70 128.33 2qr0 s GLU 73 Ca 0.07 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2qr0 s GLU 73 Cb -0.18 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2qr0 s GLU 73 CO 0.11 0.47 0.47 -1.54 0.02 0.00 0.00 175.26 174.79 2qr0 s SER 74 N -3.23 0.98 0.01 -0.19 1.04 -0.72 -4.88 113.70 106.72 2qr0 s SER 74 Ca 0.31 -1.51 0.08 0.00 0.48 0.00 0.00 55.95 55.31 2qr0 s SER 74 Cb -0.10 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2qr0 s SER 74 CO 0.24 -1.30 -0.23 0.20 0.98 0.00 0.00 173.24 173.13 2qr0 s ASN 75 N -3.25 2.77 -0.00 7.02 0.01 -1.26 -0.86 114.94 119.37 2qr0 s ASN 75 Ca 0.31 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 2qr0 s ASN 75 Cb -0.00 -0.28 -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 -0.67 0.98 -0.10 0.60 2.07 -0.56 -4.95 121.20 118.58 2qr0 s ILE 76 Ca 0.09 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 58.73 2qr0 s ILE 76 Cb -0.09 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 2qr0 s ILE 76 CO 0.01 0.22 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.23 2qr0 s THR 77 N -0.40 3.03 -0.01 4.00 2.01 -1.26 0.01 115.64 123.02 2qr0 s THR 77 Ca 0.04 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2qr0 s THR 77 Cb -0.05 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 2qr0 s THR 77 CO -0.00 0.55 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.28 2qr0 s MET 78 N -0.00 1.22 -0.14 4.92 1.00 0.05 -4.94 119.30 121.41 2qr0 s MET 78 Ca -0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 55.69 54.82 2qr0 s MET 78 Cb -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 34.83 33.49 2qr0 s MET 78 CO 0.04 0.32 1.30 -0.65 0.00 0.00 0.00 175.02 176.04 2qr0 s GLN 79 N -0.36 4.24 -0.04 2.03 -0.21 -1.26 -0.87 119.66 123.18 2qr0 s GLN 79 Ca 0.06 1.72 0.04 0.00 0.02 0.00 0.00 55.36 57.20 2qr0 s GLN 79 Cb -0.06 -3.77 -0.00 0.00 1.00 0.00 0.00 33.01 30.18 2qr0 s GLN 79 CO -0.01 -0.70 -0.17 0.42 -2.12 0.00 0.00 175.29 172.72 2qr0 s ILE 80 N 3.45 1.38 -0.05 1.08 -1.09 0.26 -4.95 121.20 121.29 2qr0 s ILE 80 Ca 0.57 -0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 2qr0 s ILE 80 Cb -0.23 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.43 2qr0 s ILE 80 CO 0.17 0.40 1.15 -0.32 -1.23 0.00 0.00 174.94 175.11 2qr0 s MET 81 N 0.04 4.38 -0.31 2.79 -2.45 -0.36 -0.81 119.30 122.58 2qr0 s MET 81 Ca -0.03 1.61 0.03 0.00 -1.25 0.00 0.00 55.69 56.05 2qr0 s MET 81 Cb -0.11 -3.53 0.09 0.00 1.25 0.00 0.00 34.83 32.53 2qr0 s MET 81 CO 0.02 -0.38 0.02 1.03 1.05 0.00 0.00 175.02 176.76 2qr0 s ARG 82 N 2.01 1.52 0.06 4.11 0.52 -0.04 -0.90 118.95 126.23 2qr0 s ARG 82 Ca 0.54 -1.62 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 2qr0 s ARG 82 Cb -0.24 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.21 2qr0 s ARG 82 CO 0.22 -0.86 0.61 0.42 0.02 0.00 0.00 175.30 175.71 2qr0 s ILE 83 N 1.06 4.73 -0.44 1.52 1.01 0.80 -3.23 121.20 126.65 2qr0 s ILE 83 Ca 0.06 1.30 0.02 0.00 0.00 0.00 0.00 60.65 62.04 2qr0 s ILE 83 Cb -0.19 -3.95 0.13 0.00 0.01 0.00 0.00 42.46 38.47 2qr0 s ILE 83 CO -0.10 0.51 0.23 -0.75 0.00 0.00 0.00 174.94 174.83 2qr0 s LYS 84 N -0.84 1.38 0.20 2.79 2.20 -0.58 0.04 119.74 124.93 2qr0 s LYS 84 Ca 0.31 -2.06 -0.31 0.00 -0.36 0.00 0.00 55.97 53.55 2qr0 s LYS 84 Cb -0.20 -2.50 -0.16 0.00 -1.51 0.00 0.00 37.83 33.47 2qr0 s LYS 84 CO 0.20 -1.14 0.95 -2.30 -0.36 0.00 0.00 175.35 172.70 2qr0 n PRO 85 N 3.55 0.85 -2.33 4.03 -0.01 -1.26 -1.72 135.00 138.11 2qr0 n PRO 85 Ca 0.07 0.30 -0.20 0.00 -0.01 0.00 0.00 63.50 63.66 2qr0 n PRO 85 Cb 0.34 -1.64 -0.02 0.00 -0.01 0.00 0.00 33.50 32.18 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 0.73 -0.90 0.00 6.00 8.25 -1.26 -4.78 115.22 123.27 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 -3.88 0.00 0.00 1.12 0.00 0.00 29.99 27.49 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 -2.92 0.00 -3.60 -0.41 7.27 -0.70 -5.18 117.38 111.84 2qr0 n GLN 87 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.83 2qr0 n GLN 87 Cb 0.68 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.32 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 -2.56 -0.38 0.26 1.69 0.00 -0.99 -5.05 107.32 100.30 2qr0 s GLY 88 Ca 0.00 1.10 0.11 0.00 0.00 0.00 0.00 44.72 45.93 2qr0 s GLY 88 CO 0.00 0.29 -0.20 -0.86 0.00 0.00 0.00 173.10 172.33 2qr0 s GLN 89 N -2.30 1.61 -0.10 2.90 -2.07 -1.26 -1.53 119.66 116.92 2qr0 s GLN 89 Ca 0.13 -1.71 -0.30 0.00 -1.82 0.00 0.00 55.36 51.65 2qr0 s GLN 89 Cb 0.03 -1.70 0.12 0.00 -1.09 0.00 0.00 33.01 30.38 2qr0 s GLN 89 CO -0.04 0.32 1.00 -3.38 -1.32 0.00 0.00 175.29 171.86 2qr0 s HIS 90 N -2.45 -0.31 -0.48 9.60 -3.43 -1.20 -5.00 115.29 112.02 2qr0 s HIS 90 Ca 0.28 0.32 -0.25 0.00 -0.80 0.00 0.00 55.06 54.61 2qr0 s HIS 90 Cb -0.05 0.50 0.03 0.00 -1.43 0.00 0.00 32.58 31.64 2qr0 s HIS 90 CO 0.13 -0.40 0.91 0.42 -2.00 0.00 0.00 174.74 173.80 2qr0 s ILE 91 N -2.29 4.47 0.06 -5.38 -1.09 -1.26 -0.86 121.20 114.85 2qr0 s ILE 91 Ca 0.04 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 2qr0 s ILE 91 Cb -0.01 -4.45 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2qr0 s ILE 91 CO -0.05 -0.90 -0.00 -0.83 -1.23 0.00 0.00 174.94 171.93 2qr0 s GLY 92 N 2.40 1.90 -0.34 6.18 0.00 0.01 -4.90 107.32 112.58 2qr0 s GLY 92 Ca 0.34 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.78 2qr0 s GLY 92 CO 0.24 -1.00 0.76 -0.54 0.00 0.00 0.00 173.10 172.55 2qr0 s GLU 93 N -2.06 3.84 -0.13 2.90 2.02 -1.26 -0.57 118.70 123.44 2qr0 s GLU 93 Ca 0.24 0.39 -0.00 0.00 0.02 0.00 0.00 54.97 55.61 2qr0 s GLU 93 Cb -0.12 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 2qr0 s GLU 93 CO 0.16 -0.75 -0.12 -1.64 0.02 0.00 0.00 175.26 172.92 2qr0 s MET 94 N 2.96 3.40 0.20 1.61 -1.94 -0.05 -4.92 119.30 120.56 2qr0 s MET 94 Ca 0.30 -0.68 -0.18 0.00 -1.71 0.00 0.00 55.69 53.42 2qr0 s MET 94 Cb -0.14 -2.65 -0.08 0.00 2.01 0.00 0.00 34.83 33.97 2qr0 s MET 94 CO 0.15 0.20 0.68 0.45 -0.01 0.00 0.00 175.02 176.49 2qr0 s SER 95 N 0.38 7.00 0.03 3.03 0.15 -1.26 -0.77 113.70 122.26 2qr0 s SER 95 Ca -0.10 1.33 0.02 0.00 0.70 0.00 0.00 55.95 57.90 2qr0 s SER 95 Cb -0.16 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2qr0 s SER 95 CO 0.05 0.06 -0.07 -0.36 1.20 0.00 0.00 173.24 174.12 2qr0 s PHE 96 N -1.50 0.59 0.05 3.44 0.08 0.10 -4.98 117.98 115.77 2qr0 s PHE 96 Ca 0.41 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.81 2qr0 s PHE 96 Cb -0.16 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 2qr0 s PHE 96 CO 0.20 -0.06 0.96 -1.17 -0.10 0.00 0.00 175.22 175.06 2qr0 s LEU 97 N -1.08 4.43 0.28 -0.37 2.96 -1.26 -1.49 118.68 122.15 2qr0 s LEU 97 Ca -0.06 1.71 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 43.00 2qr0 s LEU 97 CO 0.00 -0.16 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.61 2qr0 s GLN 98 N 0.51 1.64 -0.14 1.98 -0.21 -0.04 -4.83 119.66 118.58 2qr0 s GLN 98 Ca 0.49 -1.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 2qr0 s GLN 98 Cb -0.22 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 2qr0 s GLN 98 CO 0.29 0.24 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.58 2qr0 s HIS 99 N -2.65 2.87 -0.13 0.91 3.76 -0.20 -1.75 115.29 118.09 2qr0 s HIS 99 Ca 0.29 -0.56 0.16 0.00 -0.15 0.00 0.00 55.06 54.81 2qr0 s HIS 99 Cb -0.02 -1.87 -0.23 0.00 1.11 0.00 0.00 32.58 31.56 2qr0 s HIS 99 CO 0.14 -0.17 0.15 0.09 -0.85 0.00 0.00 174.74 174.10 2qr0 n ASN 100 N 3.53 0.73 -3.74 1.40 3.02 0.34 -4.63 115.26 115.92 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 1.16 -0.11 0.00 -0.61 0.00 0.00 39.78 40.75 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 -2.64 0.35 0.24 3.52 2.20 -1.17 -4.88 119.74 117.36 2qr0 s LYS 101 Ca -0.08 0.56 0.10 0.00 -0.36 0.00 0.00 55.97 56.19 2qr0 s LYS 101 Cb 0.07 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 2qr0 s LYS 101 CO 0.73 -0.10 -0.13 0.00 -0.36 0.00 0.00 175.35 175.49 2qr0 s GLU 103 N -3.28 0.67 -0.05 0.00 2.12 -0.40 -4.90 118.70 112.85 2qr0 s GLU 103 Ca 0.28 -0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.15 2qr0 s GLU 103 Cb -0.07 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2qr0 s GLU 103 CO 0.16 -0.19 0.76 0.00 -0.54 0.00 0.00 175.26 175.45 2qr0 s ARG 105 N 0.85 0.75 0.43 0.00 1.81 -0.31 -4.96 118.95 117.51 2qr0 s ARG 105 Ca 0.40 -1.31 -0.23 0.00 -1.72 0.00 0.00 55.73 52.87 2qr0 s ARG 105 Cb -0.18 0.22 -0.09 0.00 -0.45 0.00 0.00 34.95 34.44 2qr0 s ARG 105 CO 0.20 -0.17 1.05 -2.14 -0.68 0.00 0.00 175.30 173.55 2qr0 s PRO 106 N -3.97 4.04 -0.17 3.54 0.02 -1.26 -0.24 135.00 136.96 2qr0 s PRO 106 Ca 0.14 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 2qr0 s PRO 106 Cb 0.08 -2.39 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 2qr0 s PRO 106 CO -0.05 -0.24 1.16 0.15 -0.33 0.00 0.00 177.00 177.69 2qr0 s LYS 107 N -2.75 4.27 -0.18 5.54 1.02 -1.23 -4.78 119.74 121.63 2qr0 s LYS 107 Ca 0.61 1.54 -0.06 0.00 0.02 0.00 0.00 55.97 58.08 2qr0 s LYS 107 Cb -0.20 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2qr0 s LYS 107 CO 0.25 -0.62 0.02 0.15 -0.92 0.00 0.00 175.35 174.23 2qr0 s LYS 108 N 3.11 3.83 0.00 1.68 1.02 -1.26 -5.07 119.74 123.05 2qr0 s LYS 108 Ca 0.51 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2qr0 s LYS 108 Cb -0.20 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2qr0 s LYS 108 CO 0.13 0.23 0.00 -3.47 -0.92 0.00 0.00 175.35 171.32