#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnq s GLN 2 N 0.00 3.31 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.69 2qnq s GLN 2 Ca 0.00 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.68 2qnq s GLN 2 Cb 0.00 -2.92 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 2qnq s GLN 2 CO 0.00 -0.20 0.03 0.42 -0.55 0.00 0.00 175.29 175.00 2qnq s ILE 3 N 1.43 4.29 0.68 -2.34 1.01 -1.26 -5.10 121.20 119.92 2qnq s ILE 3 Ca 0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2qnq s ILE 3 Cb -0.14 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 2qnq s ILE 3 CO -0.05 0.42 1.06 0.28 0.00 0.00 0.00 174.94 176.64 2qnq s THR 4 N 0.92 4.07 -0.51 2.92 -1.32 -1.26 -4.99 115.64 115.47 2qnq s THR 4 Ca 0.02 0.70 0.14 0.00 -1.21 0.00 0.00 61.69 61.34 2qnq s THR 4 Cb -0.14 -3.44 0.44 0.00 -1.51 0.00 0.00 72.50 67.85 2qnq s THR 4 CO 0.02 -0.85 1.35 0.18 -2.21 0.00 0.00 174.62 173.12 2qnq n LEU 5 N -2.99 3.49 0.22 9.08 4.77 -1.26 -4.45 117.00 125.86 2qnq n LEU 5 Ca 0.07 -2.57 0.05 0.00 -0.03 0.00 0.00 56.01 53.53 2qnq n LEU 5 Cb 0.53 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.70 2qnq n LEU 5 CO 0.55 0.70 0.89 -0.50 -1.33 0.00 0.00 177.39 177.70 2qnq h TRP 6 N 1.93 0.01 -2.84 -1.77 4.06 -2.06 -3.43 115.95 111.85 2qnq h TRP 6 Ca 0.00 -0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.49 2qnq h TRP 6 Cb 1.14 -0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.16 2qnq h TRP 6 CO 0.39 0.20 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.17 2qnq s GLN 7 N -4.61 1.53 0.30 0.49 1.11 -1.26 -5.11 119.66 112.11 2qnq s GLN 7 Ca -0.04 -1.80 -0.30 0.00 0.01 0.00 0.00 55.36 53.24 2qnq s GLN 7 Cb 0.16 -0.95 -0.11 0.00 -1.01 0.00 0.00 33.01 31.09 2qnq s GLN 7 CO 0.70 -0.06 1.54 1.03 0.01 0.00 0.00 175.29 178.52 2qnq s ARG 8 N -3.80 4.15 -1.22 2.91 0.52 -1.26 -4.85 118.95 115.40 2qnq s ARG 8 Ca 0.31 2.52 -0.19 0.00 -0.52 0.00 0.00 55.73 57.85 2qnq s ARG 8 Cb 0.06 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 2qnq s ARG 8 CO 0.12 -0.57 1.93 -0.35 0.02 0.00 0.00 175.30 176.45 2qnq n PRO 9 N 1.92 2.46 -3.36 3.54 -0.04 -1.26 -4.94 135.00 133.31 2qnq n PRO 9 Ca 0.07 -2.70 -0.38 0.00 -0.04 0.00 0.00 63.50 60.45 2qnq n PRO 9 Cb 0.38 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 2qnq n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qnq s LEU 10 N 4.96 4.29 0.27 1.53 1.43 -1.26 -1.60 118.68 128.30 2qnq s LEU 10 Ca 0.57 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2qnq s LEU 10 Cb 0.07 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 2qnq s LEU 10 CO 0.06 0.05 0.07 0.68 0.23 0.00 0.00 176.35 177.44 2qnq s VAL 11 N 0.43 0.83 0.03 -1.59 -7.23 -0.19 -4.95 120.40 107.73 2qnq s VAL 11 Ca 0.24 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2qnq s VAL 11 Cb -0.15 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2qnq s VAL 11 CO 0.10 -0.05 0.33 -0.89 -0.31 0.00 0.00 175.10 174.27 2qnq s THR 12 N -3.56 5.20 0.11 5.32 2.01 -1.26 -0.76 115.64 122.70 2qnq s THR 12 Ca 0.36 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2qnq s THR 12 Cb 0.08 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2qnq s THR 12 CO 0.13 0.37 -0.05 0.27 -0.69 0.00 0.00 174.62 174.66 2qnq s ILE 13 N -1.30 0.65 -0.11 1.82 -4.36 0.16 -2.90 121.20 115.16 2qnq s ILE 13 Ca 0.29 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2qnq s ILE 13 Cb -0.14 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 41.82 2qnq s ILE 13 CO 0.16 -0.79 -0.09 -0.75 0.24 0.00 0.00 174.94 173.71 2qnq s LYS 14 N -3.86 1.63 -0.12 0.37 2.20 -0.57 -1.10 119.74 118.29 2qnq s LYS 14 Ca 0.14 -0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.38 2qnq s LYS 14 Cb 0.06 -1.64 0.04 0.00 -1.51 0.00 0.00 37.83 34.78 2qnq s LYS 14 CO -0.03 -0.25 0.30 -1.50 -0.36 0.00 0.00 175.35 173.51 2qnq s ILE 15 N 1.62 -0.02 -1.59 5.43 2.07 0.60 -1.60 121.20 127.71 2qnq s ILE 15 Ca 0.04 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 2qnq s ILE 15 Cb -0.13 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.03 2qnq s ILE 15 CO -0.08 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2qnq n GLY 16 N 3.74 0.95 2.59 1.50 0.00 -1.26 -0.85 105.19 111.85 2qnq n GLY 16 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qnq n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnq n GLY 17 N -1.01 0.91 3.79 -0.02 0.00 -1.26 -5.02 105.19 102.58 2qnq n GLY 17 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2qnq n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qnq s GLN 18 N -0.12 2.97 -0.18 1.61 -0.21 -0.03 -5.11 119.66 118.60 2qnq s GLN 18 Ca 0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 2qnq s GLN 18 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2qnq s GLN 18 CO 0.00 0.59 0.03 -0.51 -2.12 0.00 0.00 175.29 173.28 2qnq s LEU 19 N -2.25 3.61 0.15 2.90 1.43 -1.26 -0.29 118.68 122.96 2qnq s LEU 19 Ca 0.28 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2qnq s LEU 19 Cb -0.12 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2qnq s LEU 19 CO 0.21 0.16 0.05 -0.54 0.23 0.00 0.00 176.35 176.46 2qnq s LYS 20 N 0.43 0.99 -0.17 1.70 1.02 -0.26 -4.98 119.74 118.49 2qnq s LYS 20 Ca 0.01 -1.48 -0.07 0.00 0.02 0.00 0.00 55.97 54.45 2qnq s LYS 20 Cb -0.13 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 2qnq s LYS 20 CO 0.01 -0.24 0.08 -2.00 -0.92 0.00 0.00 175.35 172.28 2qnq s GLU 21 N -4.03 3.83 0.03 1.68 2.12 -1.26 -0.66 118.70 120.41 2qnq s GLU 21 Ca 0.25 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.29 2qnq s GLU 21 Cb 0.07 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 2qnq s GLU 21 CO 0.03 0.41 -0.04 0.00 -0.54 0.00 0.00 175.26 175.12 2qnq s ALA 22 N 0.01 0.26 -0.26 6.30 0.00 0.06 -4.45 121.76 123.68 2qnq s ALA 22 Ca 0.07 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 2qnq s ALA 22 Cb -0.12 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2qnq s ALA 22 CO 0.01 -0.19 0.51 -1.17 0.00 0.00 0.00 175.76 174.92 2qnq s LEU 23 N -1.81 4.06 -0.53 0.00 2.96 -0.13 -1.02 118.68 122.21 2qnq s LEU 23 Ca -0.10 0.53 -0.28 0.00 -0.22 0.00 0.00 54.13 54.06 2qnq s LEU 23 Cb -0.06 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 2qnq s LEU 23 CO -0.03 -0.28 1.61 -0.76 -1.32 0.00 0.00 176.35 175.57 2qnq s LEU 24 N 2.27 3.40 -0.34 -0.68 1.43 -0.62 -1.42 118.68 122.71 2qnq s LEU 24 Ca 0.21 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2qnq s LEU 24 Cb -0.16 -3.01 0.07 0.00 0.03 0.00 0.00 46.19 43.12 2qnq s LEU 24 CO 0.09 -1.88 0.08 -0.62 0.23 0.00 0.00 176.35 174.24 2qnq s ASP 25 N 5.74 5.06 0.50 2.29 -1.08 -0.57 -4.80 116.67 123.81 2qnq s ASP 25 Ca 0.62 -1.51 0.30 0.00 -0.52 0.00 0.00 52.55 51.44 2qnq s ASP 25 Cb -0.14 -1.77 1.08 0.00 -1.46 0.00 0.00 42.92 40.64 2qnq s ASP 25 CO 0.26 -0.36 1.87 0.71 0.52 0.00 0.00 175.17 178.17 2qnq h THR 26 N 6.40 0.00 -0.01 1.71 1.35 -1.93 -2.80 112.91 117.64 2qnq h THR 26 Ca -0.18 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2qnq h THR 26 Cb 1.06 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2qnq h THR 26 CO 0.59 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.35 2qnq n GLY 27 N 0.33 -0.76 3.61 5.82 0.00 -1.26 -4.79 105.19 108.14 2qnq n GLY 27 Ca 0.02 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2qnq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnq s ALA 28 N -2.39 3.56 0.24 4.61 0.00 -1.06 -4.97 121.76 121.76 2qnq s ALA 28 Ca 0.30 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2qnq s ALA 28 Cb 0.20 -2.57 0.28 0.00 0.00 0.00 0.00 23.12 21.03 2qnq s ALA 28 CO 0.46 -0.52 1.60 -0.44 0.00 0.00 0.00 175.76 176.86 2qnq h ASP 29 N 8.06 0.40 -1.96 0.00 3.32 -1.87 0.33 116.42 124.71 2qnq h ASP 29 Ca -0.34 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 55.91 2qnq h ASP 29 Cb 1.17 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.48 2qnq h ASP 29 CO 0.62 0.83 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.54 2qnq s ASP 30 N -6.88 3.62 -0.22 6.45 1.01 -1.26 -3.11 116.67 116.28 2qnq s ASP 30 Ca -0.06 -1.33 -0.11 0.00 0.71 0.00 0.00 52.55 51.76 2qnq s ASP 30 Cb 0.12 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 2qnq s ASP 30 CO 0.80 -0.42 0.18 -0.89 0.21 0.00 0.00 175.17 175.06 2qnq s THR 31 N -2.77 5.35 -0.10 -1.27 2.01 -1.26 -3.01 115.64 114.59 2qnq s THR 31 Ca 0.34 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2qnq s THR 31 Cb 0.08 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2qnq s THR 31 CO 0.17 0.36 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 2qnq s VAL 32 N 0.89 1.19 0.18 3.82 1.01 -0.01 -0.35 120.40 127.12 2qnq s VAL 32 Ca 0.09 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2qnq s VAL 32 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qnq s VAL 32 CO 0.03 0.38 -0.14 -0.76 0.00 0.00 0.00 175.10 174.62 2qnq s LEU 33 N 1.21 2.82 0.89 3.92 1.43 0.69 -0.27 118.68 129.38 2qnq s LEU 33 Ca -0.04 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 2qnq s LEU 33 Cb -0.14 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.68 2qnq s LEU 33 CO -0.03 0.11 1.11 -1.83 0.23 0.00 0.00 176.35 175.94 2qnq s GLU 34 N -2.75 1.23 0.01 1.70 -1.05 -1.26 -1.51 118.70 115.07 2qnq s GLU 34 Ca 0.23 1.29 -0.40 0.00 -0.15 0.00 0.00 54.97 55.95 2qnq s GLU 34 Cb -0.09 -1.77 -0.20 0.00 -0.44 0.00 0.00 34.13 31.64 2qnq s GLU 34 CO 0.14 -2.40 1.09 0.39 0.95 0.00 0.00 175.26 175.42 2qnq n GLU 35 N -4.05 0.10 -3.69 -4.83 -0.58 -1.12 -4.54 120.64 101.92 2qnq n GLU 35 Ca 0.10 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.84 2qnq n GLU 35 Cb 0.53 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 2qnq n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qnq s MET 36 N 0.03 0.97 -0.15 3.49 0.23 -1.26 -5.02 119.30 117.58 2qnq s MET 36 Ca 0.90 -0.51 -0.08 0.00 -1.03 0.00 0.00 55.69 54.97 2qnq s MET 36 Cb -1.24 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.36 2qnq s MET 36 CO 0.56 -0.44 0.12 0.45 -2.03 0.00 0.00 175.02 173.68 2qnq s SER 37 N -2.87 6.21 0.04 -1.18 0.15 -1.26 -5.03 113.70 109.77 2qnq s SER 37 Ca 0.12 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.13 2qnq s SER 37 Cb -0.00 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.25 2qnq s SER 37 CO -0.01 0.31 -0.08 -0.76 1.20 0.00 0.00 173.24 173.90 2qnq s LEU 38 N -0.41 2.25 0.62 3.45 1.43 -1.26 -4.96 118.68 119.80 2qnq s LEU 38 Ca 0.11 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2qnq s LEU 38 Cb -0.12 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 2qnq s LEU 38 CO 0.01 -0.18 1.03 -2.16 0.23 0.00 0.00 176.35 175.29 2qnq s PRO 39 N -1.54 3.54 0.15 1.29 0.04 -1.26 -4.95 135.00 132.27 2qnq s PRO 39 Ca -0.08 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2qnq s PRO 39 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2qnq s PRO 39 CO 0.01 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2qnq n GLY 40 N -2.58 -2.93 3.91 0.56 0.00 -1.26 -4.96 105.19 97.93 2qnq n GLY 40 Ca 0.06 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 2qnq n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qnq s ARG 41 N -0.65 3.37 0.14 1.61 1.04 -1.26 -5.11 118.95 118.09 2qnq s ARG 41 Ca 0.00 0.12 -0.09 0.00 -1.04 0.00 0.00 55.73 54.72 2qnq s ARG 41 Cb 0.00 -2.36 -0.01 0.00 -2.04 0.00 0.00 34.95 30.54 2qnq s ARG 41 CO 0.00 -0.32 0.24 1.67 -0.04 0.00 0.00 175.30 176.85 2qnq s TRP 42 N -2.79 0.32 0.02 5.89 1.48 -1.26 -4.46 118.94 118.14 2qnq s TRP 42 Ca 0.49 -0.70 0.01 0.00 -1.06 0.00 0.00 56.10 54.83 2qnq s TRP 42 Cb -0.10 -0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.12 2qnq s TRP 42 CO 0.45 -0.65 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.06 2qnq s LYS 43 N -3.93 0.29 0.55 3.25 -2.85 -0.99 -4.91 119.74 111.16 2qnq s LYS 43 Ca 0.13 -0.48 -0.19 0.00 -1.00 0.00 0.00 55.97 54.43 2qnq s LYS 43 Cb 0.04 -0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 2qnq s LYS 43 CO -0.04 -0.01 1.13 -1.25 0.10 0.00 0.00 175.35 175.28 2qnq s PRO 44 N -1.08 3.31 0.12 1.78 0.04 -1.26 -0.54 135.00 137.37 2qnq s PRO 44 Ca -0.10 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 2qnq s PRO 44 Cb -0.07 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.50 2qnq s PRO 44 CO -0.00 -0.87 0.43 0.21 0.04 0.00 0.00 177.00 176.80 2qnq s LYS 45 N -3.36 1.08 -0.08 4.56 2.20 -0.67 -4.86 119.74 118.61 2qnq s LYS 45 Ca 0.72 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2qnq s LYS 45 Cb -0.23 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 2qnq s LYS 45 CO 0.28 -0.42 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.02 2qnq s MET 46 N -3.61 2.41 0.05 4.03 -1.94 -1.26 -1.17 119.30 117.81 2qnq s MET 46 Ca 0.02 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 2qnq s MET 46 Cb 0.01 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 2qnq s MET 46 CO -0.11 0.15 -0.20 0.96 -0.01 0.00 0.00 175.02 175.81 2qnq s ILE 47 N 0.39 1.61 0.27 2.53 -4.36 -0.85 -4.97 121.20 115.82 2qnq s ILE 47 Ca -0.15 -1.21 -0.13 0.00 -0.26 0.00 0.00 60.65 58.90 2qnq s ILE 47 Cb -0.16 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.14 2qnq s ILE 47 CO 0.06 0.15 0.53 -0.83 0.24 0.00 0.00 174.94 175.09 2qnq s GLY 48 N -1.25 0.58 0.00 6.27 0.00 -1.26 -0.95 107.32 110.71 2qnq s GLY 48 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2qnq s GLY 48 CO 0.02 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.13 2qnq n GLY 49 N -0.42 -0.98 3.66 0.20 0.00 -0.40 -4.97 105.19 102.28 2qnq n GLY 49 Ca -0.02 -0.02 -0.48 0.00 0.00 0.00 0.00 46.02 45.49 2qnq n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qnq n ILE 50 N 0.16 0.11 0.00 -0.61 2.08 -1.26 -0.74 119.36 119.11 2qnq n ILE 50 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2qnq n ILE 50 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 2qnq n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qnq n GLY 51 N 3.45 1.93 0.00 7.39 0.00 -1.26 -4.94 105.19 111.76 2qnq n GLY 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2qnq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnq n GLY 52 N -2.00 -0.11 3.61 -0.02 0.00 0.08 -5.06 105.19 101.70 2qnq n GLY 52 Ca 0.00 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 2qnq n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnq s PHE 53 N 0.00 2.64 0.09 1.61 0.40 -1.26 -1.27 117.98 120.18 2qnq s PHE 53 Ca 0.00 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2qnq s PHE 53 Cb 0.00 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 2qnq s PHE 53 CO 0.00 0.61 -0.10 0.96 0.70 0.00 0.00 175.22 177.40 2qnq s ILE 54 N -2.22 0.86 -0.10 0.64 -4.36 -0.12 -4.98 121.20 110.91 2qnq s ILE 54 Ca 0.30 -1.56 -0.09 0.00 -0.26 0.00 0.00 60.65 59.04 2qnq s ILE 54 Cb -0.07 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 2qnq s ILE 54 CO 0.18 -0.54 0.20 -0.75 0.24 0.00 0.00 174.94 174.27 2qnq s LYS 55 N -2.65 3.63 0.20 0.37 2.20 -1.26 -2.00 119.74 120.24 2qnq s LYS 55 Ca 0.03 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2qnq s LYS 55 Cb -0.04 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2qnq s LYS 55 CO -0.00 0.70 0.10 0.14 -0.36 0.00 0.00 175.35 175.93 2qnq s VAL 56 N -0.86 0.22 -0.17 4.02 -7.23 -0.31 -4.42 120.40 111.64 2qnq s VAL 56 Ca 0.16 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 2qnq s VAL 56 Cb -0.13 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2qnq s VAL 56 CO 0.05 -0.10 0.00 -0.13 -0.31 0.00 0.00 175.10 174.62 2qnq s ARG 57 N -4.09 3.76 -0.27 4.82 0.52 0.33 -1.67 118.95 122.35 2qnq s ARG 57 Ca 0.35 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 2qnq s ARG 57 Cb 0.07 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2qnq s ARG 57 CO 0.10 0.21 0.33 -1.14 0.02 0.00 0.00 175.30 174.82 2qnq s GLN 58 N 0.49 4.00 -0.13 3.54 0.74 0.30 -1.11 119.66 127.50 2qnq s GLN 58 Ca -0.01 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.36 2qnq s GLN 58 Cb -0.14 -3.65 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 2qnq s GLN 58 CO 0.02 -0.25 -0.14 0.71 -0.55 0.00 0.00 175.29 175.08 2qnq s TYR 59 N 1.98 2.79 0.27 1.67 1.51 -0.41 -2.33 117.35 122.82 2qnq s TYR 59 Ca 0.13 -0.70 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 2qnq s TYR 59 Cb -0.16 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2qnq s TYR 59 CO 0.10 -0.25 0.36 -0.51 -1.11 0.00 0.00 175.55 174.15 2qnq s ASP 60 N 0.38 6.05 -1.14 2.29 1.01 -1.26 -0.64 116.67 123.36 2qnq s ASP 60 Ca -0.11 -0.08 -0.21 0.00 0.71 0.00 0.00 52.55 52.86 2qnq s ASP 60 Cb -0.16 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 2qnq s ASP 60 CO 0.06 -0.18 0.79 0.00 0.21 0.00 0.00 175.17 176.05 2qnq n GLN 61 N -1.44 -1.26 -4.27 8.23 6.02 -1.21 -4.90 117.38 118.55 2qnq n GLN 61 Ca -0.06 0.46 -0.35 0.00 -0.01 0.00 0.00 57.00 57.04 2qnq n GLN 61 Cb 0.58 -4.14 -0.10 0.00 1.02 0.00 0.00 30.24 27.60 2qnq n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qnq s ILE 62 N -3.47 4.42 0.07 5.09 -1.09 -0.22 -4.84 121.20 121.15 2qnq s ILE 62 Ca 0.47 -0.19 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 2qnq s ILE 62 Cb -0.17 -2.90 -0.06 0.00 -1.58 0.00 0.00 42.46 37.75 2qnq s ILE 62 CO 0.86 0.56 0.76 -1.48 -1.23 0.00 0.00 174.94 174.41 2qnq s LEU 63 N -0.43 4.48 -0.00 2.97 2.34 -1.26 -2.02 118.68 124.75 2qnq s LEU 63 Ca 0.08 1.48 -0.12 0.00 0.06 0.00 0.00 54.13 55.62 2qnq s LEU 63 Cb -0.12 -3.23 0.02 0.00 -0.56 0.00 0.00 46.19 42.29 2qnq s LEU 63 CO 0.02 0.05 0.26 -0.51 -1.06 0.00 0.00 176.35 175.11 2qnq s ILE 64 N -0.26 0.07 -0.18 1.48 2.07 -0.11 -4.50 121.20 119.77 2qnq s ILE 64 Ca 0.38 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 2qnq s ILE 64 Cb -0.21 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 41.80 2qnq s ILE 64 CO 0.23 -0.32 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.13 2qnq s GLU 65 N -1.54 2.07 -0.33 3.50 2.12 -0.63 -0.24 118.70 123.66 2qnq s GLU 65 Ca -0.13 -0.70 -0.07 0.00 0.36 0.00 0.00 54.97 54.44 2qnq s GLU 65 Cb -0.05 -2.25 0.03 0.00 0.26 0.00 0.00 34.13 32.11 2qnq s GLU 65 CO 0.02 -0.35 0.10 0.42 -0.54 0.00 0.00 175.26 174.91 2qnq s ILE 66 N 1.45 3.89 -1.44 -3.70 1.09 0.19 -1.52 121.20 121.17 2qnq s ILE 66 Ca 0.01 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.50 2qnq s ILE 66 Cb -0.15 -3.13 0.05 0.00 -1.06 0.00 0.00 42.46 38.17 2qnq s ILE 66 CO -0.09 -0.09 1.01 0.00 -0.10 0.00 0.00 174.94 175.67 2qnq n GLY 68 N -1.75 2.86 3.61 0.00 0.00 -1.26 -4.99 105.19 103.67 2qnq n GLY 68 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2qnq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qnq s HIS 69 N -1.88 3.16 0.21 1.61 4.02 -0.33 -5.03 115.29 117.05 2qnq s HIS 69 Ca 0.00 0.81 -0.30 0.00 1.02 0.00 0.00 55.06 56.59 2qnq s HIS 69 Cb 0.00 -3.40 -0.08 0.00 -1.02 0.00 0.00 32.58 28.08 2qnq s HIS 69 CO 0.00 -0.67 1.01 0.15 1.02 0.00 0.00 174.74 176.25 2qnq s LYS 70 N 3.17 4.73 0.07 1.40 1.02 -1.26 -0.64 119.74 128.23 2qnq s LYS 70 Ca 0.35 1.59 -0.11 0.00 0.02 0.00 0.00 55.97 57.82 2qnq s LYS 70 Cb -0.13 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2qnq s LYS 70 CO 0.15 0.31 0.25 0.00 -0.92 0.00 0.00 175.35 175.13 2qnq s ALA 71 N -0.74 -0.48 0.04 5.17 0.00 0.66 -4.89 121.76 121.51 2qnq s ALA 71 Ca 0.45 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2qnq s ALA 71 Cb -0.27 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2qnq s ALA 71 CO 0.34 -0.46 -0.14 -1.50 0.00 0.00 0.00 175.76 174.00 2qnq s ILE 72 N -3.13 1.15 -2.08 0.00 2.07 -1.26 -0.93 121.20 117.01 2qnq s ILE 72 Ca -0.01 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 2qnq s ILE 72 Cb 0.01 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2qnq s ILE 72 CO -0.07 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2qnq n GLY 73 N 1.93 -1.66 3.74 1.50 0.00 -0.86 -4.91 105.19 104.93 2qnq n GLY 73 Ca -0.18 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2qnq n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qnq s THR 74 N -2.36 3.83 -0.04 2.61 2.01 -1.26 -1.06 115.64 119.37 2qnq s THR 74 Ca 0.00 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.70 2qnq s THR 74 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2qnq s THR 74 CO 0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 2qnq s VAL 75 N -0.55 1.19 -0.13 3.82 1.01 0.19 -4.41 120.40 121.52 2qnq s VAL 75 Ca 0.47 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 2qnq s VAL 75 Cb -0.29 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2qnq s VAL 75 CO 0.36 0.35 0.03 -0.76 0.00 0.00 0.00 175.10 175.08 2qnq s LEU 76 N 0.16 3.69 -0.13 3.92 1.43 0.52 -1.29 118.68 126.98 2qnq s LEU 76 Ca -0.05 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2qnq s LEU 76 Cb -0.11 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2qnq s LEU 76 CO 0.02 0.29 -0.20 -0.69 0.23 0.00 0.00 176.35 176.00 2qnq s VAL 77 N -0.34 2.29 0.02 -1.59 1.01 -0.26 -0.22 120.40 121.30 2qnq s VAL 77 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2qnq s VAL 77 Cb -0.12 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.37 2qnq s VAL 77 CO 0.02 0.54 0.49 0.61 0.00 0.00 0.00 175.10 176.76 2qnq n GLY 78 N 3.92 0.65 2.25 4.51 0.00 -0.57 -0.51 105.19 115.43 2qnq n GLY 78 Ca -0.19 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 2qnq n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qnq n PRO 79 N -0.35 1.46 -2.75 1.61 -0.04 -1.26 -2.80 135.00 130.86 2qnq n PRO 79 Ca 0.01 -0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 62.34 2qnq n PRO 79 Cb 0.24 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 2qnq n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qnq s THR 80 N 1.98 4.23 -0.73 0.52 -1.32 -1.26 -4.96 115.64 114.09 2qnq s THR 80 Ca 0.43 1.43 0.26 0.00 -1.21 0.00 0.00 61.69 62.60 2qnq s THR 80 Cb 0.19 -3.61 0.27 0.00 -1.51 0.00 0.00 72.50 67.85 2qnq s THR 80 CO -0.01 -0.25 1.78 -0.81 -2.21 0.00 0.00 174.62 173.12 2qnq n PRO 81 N -0.59 0.22 -3.68 7.08 -0.04 -1.26 -4.71 135.00 132.03 2qnq n PRO 81 Ca 0.07 0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2qnq n PRO 81 Cb 0.53 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 2qnq n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qnq s VAL 82 N -3.12 0.02 0.22 0.52 0.11 -1.26 -5.11 120.40 111.77 2qnq s VAL 82 Ca 0.10 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.72 2qnq s VAL 82 Cb 0.13 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 34.13 2qnq s VAL 82 CO 0.55 -0.07 1.38 0.20 -3.33 0.00 0.00 175.10 173.83 2qnq s ASN 83 N -0.48 6.78 -0.08 3.54 0.01 -1.26 -4.78 114.94 118.65 2qnq s ASN 83 Ca -0.06 2.52 0.02 0.00 -0.71 0.00 0.00 52.86 54.63 2qnq s ASN 83 Cb -0.03 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2qnq s ASN 83 CO 0.04 -0.62 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.25 2qnq s ILE 84 N 0.15 1.27 -0.38 0.60 1.01 0.63 -0.96 121.20 123.51 2qnq s ILE 84 Ca 0.59 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2qnq s ILE 84 Cb -0.39 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2qnq s ILE 84 CO 0.40 0.39 0.25 -0.63 0.00 0.00 0.00 174.94 175.35 2qnq s ILE 85 N 0.82 4.98 0.69 2.92 -1.09 -0.51 -0.83 121.20 128.18 2qnq s ILE 85 Ca -0.11 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.61 2qnq s ILE 85 Cb -0.15 -3.74 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 2qnq s ILE 85 CO 0.02 -0.23 0.94 0.61 -1.23 0.00 0.00 174.94 175.05 2qnq n GLY 86 N 5.08 0.27 0.37 6.18 0.00 -1.17 -1.51 105.19 114.42 2qnq n GLY 86 Ca -0.12 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.07 2qnq n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qnq h ARG 87 N 0.00 0.41 -0.12 1.61 3.08 -0.44 -0.72 114.38 118.20 2qnq h ARG 87 Ca -0.31 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2qnq h ARG 87 Cb 1.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 2qnq h ARG 87 CO 0.31 0.27 0.15 -2.95 -1.07 0.00 0.00 179.97 176.68 2qnq h ASN 88 N 0.42 0.00 0.00 7.04 -1.07 -1.78 -2.16 115.58 118.03 2qnq h ASN 88 Ca 0.32 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.51 2qnq h ASN 88 Cb 0.68 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.90 2qnq h ASN 88 CO -0.10 0.00 -1.68 0.18 0.07 0.00 0.00 177.43 175.90 2qnq n LEU 89 N -3.72 0.34 -0.28 6.14 4.77 -0.75 -4.50 117.00 119.01 2qnq n LEU 89 Ca 0.00 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2qnq n LEU 89 Cb 0.25 0.16 0.28 0.00 -2.33 0.00 0.00 43.42 41.79 2qnq n LEU 89 CO 0.26 0.30 1.24 -0.07 -1.33 0.00 0.00 177.39 177.79 2qnq h LEU 90 N 0.00 0.82 -0.85 2.23 3.38 -0.86 -1.64 115.31 118.40 2qnq h LEU 90 Ca -0.27 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2qnq h LEU 90 Cb 1.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2qnq h LEU 90 CO 0.01 0.50 0.07 0.71 0.09 0.00 0.00 178.44 179.82 2qnq h THR 91 N 0.92 1.25 0.00 0.22 1.35 -1.64 -1.90 112.91 113.11 2qnq h THR 91 Ca 0.40 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 2qnq h THR 91 Cb 0.33 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2qnq h THR 91 CO -0.16 0.36 -0.08 1.56 -0.25 0.00 0.00 175.52 176.95 2qnq h GLN 92 N 0.88 0.00 -0.38 4.72 1.08 -1.53 -1.17 115.11 118.72 2qnq h GLN 92 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2qnq h GLN 92 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2qnq h GLN 92 CO 0.01 0.08 0.00 0.44 -0.95 0.00 0.00 178.83 178.41 2qnq n ILE 93 N -3.74 0.49 -2.49 2.54 -5.35 -1.08 -4.95 119.36 104.77 2qnq n ILE 93 Ca -0.02 -0.74 -0.09 0.00 -0.27 0.00 0.00 62.75 61.62 2qnq n ILE 93 Cb 0.18 1.01 0.01 0.00 -1.74 0.00 0.00 39.64 39.10 2qnq n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qnq n GLY 94 N 1.51 0.12 3.75 3.28 0.00 -0.44 -5.01 105.19 108.41 2qnq n GLY 94 Ca 0.19 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2qnq n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnq s THR 96 N -0.61 0.20 -0.03 0.00 -4.23 -1.26 -4.69 115.64 105.01 2qnq s THR 96 Ca 0.40 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.13 2qnq s THR 96 Cb -0.23 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 2qnq s THR 96 CO 0.27 -0.91 0.36 -0.76 -0.54 0.00 0.00 174.62 173.04 2qnq s LEU 97 N -2.75 4.44 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.19 2qnq s LEU 97 Ca 0.04 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2qnq s LEU 97 Cb 0.06 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2qnq s LEU 97 CO -0.09 0.31 0.10 0.20 0.23 0.00 0.00 176.35 177.11 2qnq s ASN 98 N -0.91 -0.07 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.82 2qnq s ASN 98 Ca 0.22 0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.71 2qnq s ASN 98 Cb -0.16 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.22 2qnq s ASN 98 CO 0.11 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.77