#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qj4 s PHE 3 N 0.00 3.12 0.27 0.00 0.08 -1.26 -4.73 117.98 115.47 1qj4 s PHE 3 Ca 0.00 0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.15 1qj4 s PHE 3 Cb 0.00 -1.63 -0.06 0.00 -0.57 0.00 0.00 43.02 40.76 1qj4 s PHE 3 CO 0.00 0.50 0.07 0.00 -0.10 0.00 0.00 175.22 175.69 1qj4 s ALA 4 N -1.25 1.93 -0.40 5.36 0.00 -1.26 -5.04 121.76 121.10 1qj4 s ALA 4 Ca 0.24 -1.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.19 1qj4 s ALA 4 Cb -0.12 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.90 1qj4 s ALA 4 CO 0.16 -0.38 0.24 -1.58 0.00 0.00 0.00 175.76 174.20 1qj4 s HIS 5 N -3.56 3.29 -0.01 0.00 2.46 -1.26 -1.50 115.29 114.70 1qj4 s HIS 5 Ca 0.36 -1.27 -0.19 0.00 0.47 0.00 0.00 55.06 54.43 1qj4 s HIS 5 Cb 0.08 -2.73 -0.05 0.00 -0.13 0.00 0.00 32.58 29.75 1qj4 s HIS 5 CO 0.13 -0.76 0.53 -0.06 -2.47 0.00 0.00 174.74 172.11 1qj4 s PHE 6 N 1.49 3.68 -0.28 3.88 0.08 -0.07 -1.06 117.98 125.69 1qj4 s PHE 6 Ca 0.02 1.11 -0.01 0.00 0.12 0.00 0.00 56.93 58.17 1qj4 s PHE 6 Cb -0.21 -2.52 0.05 0.00 -0.57 0.00 0.00 43.02 39.76 1qj4 s PHE 6 CO 0.04 0.40 -0.03 0.08 -0.10 0.00 0.00 175.22 175.61 1qj4 s VAL 7 N -0.32 2.83 -0.15 -0.44 1.01 -0.17 -0.87 120.40 122.29 1qj4 s VAL 7 Ca 0.28 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1qj4 s VAL 7 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1qj4 s VAL 7 CO 0.15 -0.02 0.45 -0.76 0.00 0.00 0.00 175.10 174.93 1qj4 s LEU 8 N 1.25 4.24 -0.26 3.92 1.43 0.31 -0.92 118.68 128.64 1qj4 s LEU 8 Ca -0.05 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1qj4 s LEU 8 Cb -0.19 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.46 1qj4 s LEU 8 CO -0.03 -0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 175.87 1qj4 s ILE 9 N 0.84 1.59 0.97 -0.59 1.01 0.52 -2.91 121.20 122.63 1qj4 s ILE 9 Ca 0.24 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 1qj4 s ILE 9 Cb -0.15 -1.91 0.17 0.00 0.01 0.00 0.00 42.46 40.58 1qj4 s ILE 9 CO 0.09 -0.21 1.09 -1.38 0.00 0.00 0.00 174.94 174.53 1qj4 s HIS 10 N 1.34 2.09 0.72 3.97 -3.43 -1.26 -1.90 115.29 116.82 1qj4 s HIS 10 Ca -0.03 1.16 -0.03 0.00 -0.80 0.00 0.00 55.06 55.37 1qj4 s HIS 10 Cb -0.19 -3.20 0.11 0.00 -1.43 0.00 0.00 32.58 27.87 1qj4 s HIS 10 CO -0.08 -2.79 1.00 -0.08 -2.00 0.00 0.00 174.74 170.79 1qj4 s THR 11 N -2.88 2.23 0.50 -5.38 -1.32 -1.25 -4.27 115.64 103.28 1qj4 s THR 11 Ca 0.65 -0.49 -0.23 0.00 -1.21 0.00 0.00 61.69 60.41 1qj4 s THR 11 Cb -0.19 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 67.99 1qj4 s THR 11 CO 0.58 0.00 1.39 -0.63 -2.21 0.00 0.00 174.62 173.75 1qj4 s ILE 12 N -3.18 2.06 0.00 5.08 1.01 -1.26 -2.17 121.20 122.74 1qj4 s ILE 12 Ca 0.65 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1qj4 s ILE 12 Cb -0.07 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1qj4 s ILE 12 CO 0.44 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.39 1qj4 n HIS 14 N -2.18 -0.51 -3.76 0.00 8.25 -0.92 -1.72 115.22 114.36 1qj4 n HIS 14 Ca 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 56.98 1qj4 n HIS 14 Cb 0.04 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1qj4 n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qj4 n GLY 15 N 4.00 1.48 0.43 -1.41 0.00 -1.26 -3.42 105.19 105.01 1qj4 n GLY 15 Ca -0.02 -1.33 0.24 0.00 0.00 0.00 0.00 46.02 44.92 1qj4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qj4 h ALA 16 N 1.98 2.64 -0.83 4.61 0.00 -1.88 -2.09 119.26 123.70 1qj4 h ALA 16 Ca -0.27 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.86 1qj4 h ALA 16 Cb 1.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1qj4 h ALA 16 CO 0.35 -0.87 0.66 0.11 0.00 0.00 0.00 179.25 179.50 1qj4 h TRP 17 N 0.06 0.00 0.00 0.00 5.08 -1.94 -0.58 115.95 118.58 1qj4 h TRP 17 Ca 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.34 1qj4 h TRP 17 Cb 1.41 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.57 1qj4 h TRP 17 CO -0.00 0.00 -0.04 0.97 -1.28 0.00 0.00 178.44 178.09 1qj4 h ILE 18 N 0.00 0.41 -0.39 0.12 6.09 -1.80 -2.12 117.51 119.81 1qj4 h ILE 18 Ca 0.39 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 1qj4 h ILE 18 Cb 1.71 1.15 0.00 0.00 0.47 0.00 0.00 36.82 40.15 1qj4 h ILE 18 CO -0.00 0.04 0.00 0.79 -3.07 0.00 0.00 178.15 175.91 1qj4 n TRP 19 N -3.58 0.71 0.28 2.19 7.02 -0.23 -4.55 117.44 119.29 1qj4 n TRP 19 Ca -0.02 -0.31 0.15 0.00 -1.02 0.00 0.00 57.50 56.30 1qj4 n TRP 19 Cb 0.15 -0.08 0.80 0.00 -2.42 0.00 0.00 31.31 29.75 1qj4 n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 1qj4 h HIS 20 N 2.39 0.00 0.15 -5.99 2.07 -1.54 -1.16 115.15 111.07 1qj4 h HIS 20 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 1qj4 h HIS 20 Cb 0.75 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 1qj4 h HIS 20 CO 0.36 0.08 -1.89 0.87 -3.07 0.00 0.00 177.93 174.28 1qj4 h LYS 21 N 0.00 0.32 -0.30 5.12 1.57 -1.83 -3.41 116.57 118.04 1qj4 h LYS 21 Ca -0.00 -0.54 -0.13 0.00 -1.87 0.00 0.00 60.65 58.10 1qj4 h LYS 21 Cb 0.32 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1qj4 h LYS 21 CO 0.01 1.25 -0.34 1.25 -0.57 0.00 0.00 179.45 181.05 1qj4 h LEU 22 N 0.09 0.82 -0.14 2.94 5.85 -1.62 -3.25 115.31 120.00 1qj4 h LEU 22 Ca -0.39 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 57.88 1qj4 h LEU 22 Cb 2.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1qj4 h LEU 22 CO 0.13 1.14 -0.08 0.50 -0.34 0.00 0.00 178.44 179.78 1qj4 h LYS 23 N 0.52 -0.08 -0.19 1.25 3.64 -1.45 -0.94 116.57 119.32 1qj4 h LYS 23 Ca 0.04 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1qj4 h LYS 23 Cb 0.92 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1qj4 h LYS 23 CO 0.08 -0.05 -0.12 -1.00 -2.27 0.00 0.00 179.45 176.09 1qj4 h PRO 24 N -0.08 0.31 -0.52 1.90 0.13 -1.78 -1.33 132.00 130.63 1qj4 h PRO 24 Ca 0.08 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1qj4 h PRO 24 Cb 0.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1qj4 h PRO 24 CO -0.19 0.44 0.04 1.25 -0.23 0.00 0.00 178.00 179.32 1qj4 h LEU 25 N 0.29 0.87 -0.77 1.56 5.85 -1.42 -0.70 115.31 120.99 1qj4 h LEU 25 Ca 0.06 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1qj4 h LEU 25 Cb 0.39 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1qj4 h LEU 25 CO 0.02 0.94 0.11 -0.07 -0.34 0.00 0.00 178.44 179.10 1qj4 h LEU 26 N 0.77 0.99 -1.25 2.25 3.38 -0.90 -2.43 115.31 118.13 1qj4 h LEU 26 Ca 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1qj4 h LEU 26 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1qj4 h LEU 26 CO 0.02 0.98 0.06 -0.33 0.09 0.00 0.00 178.44 179.26 1qj4 h GLU 27 N 0.98 0.57 0.00 1.13 5.08 -1.05 -1.90 114.58 119.39 1qj4 h GLU 27 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1qj4 h GLU 27 Cb 0.41 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1qj4 h GLU 27 CO 0.01 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1qj4 n ALA 28 N -2.47 1.67 1.14 3.43 0.00 -0.29 -1.10 120.51 122.89 1qj4 n ALA 28 Ca 0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1qj4 n ALA 28 Cb 0.21 -1.33 0.30 0.00 0.00 0.00 0.00 19.45 18.63 1qj4 n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qj4 n LEU 29 N -1.95 0.87 0.00 0.00 4.77 -0.75 -4.96 117.00 114.98 1qj4 n LEU 29 Ca 0.03 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1qj4 n LEU 29 Cb 0.21 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1qj4 n LEU 29 CO 0.17 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1qj4 n GLY 30 N 1.41 0.69 3.89 -0.72 0.00 -0.26 -4.96 105.19 105.24 1qj4 n GLY 30 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1qj4 n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qj4 s HIS 31 N -2.00 3.57 -0.02 1.61 3.76 -0.99 -4.80 115.29 116.42 1qj4 s HIS 31 Ca 0.00 1.02 -0.17 0.00 -0.15 0.00 0.00 55.06 55.76 1qj4 s HIS 31 Cb 0.00 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 1qj4 s HIS 31 CO 0.00 -0.52 0.48 0.21 -0.85 0.00 0.00 174.74 174.06 1qj4 s LYS 32 N -4.97 4.14 -0.05 1.40 2.20 -0.56 -4.32 119.74 117.59 1qj4 s LYS 32 Ca 0.51 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.66 1qj4 s LYS 32 Cb -0.11 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1qj4 s LYS 32 CO 0.49 0.49 -0.08 0.08 -0.36 0.00 0.00 175.35 175.97 1qj4 s VAL 33 N -0.48 0.79 -0.14 4.02 1.01 -1.26 -0.89 120.40 123.45 1qj4 s VAL 33 Ca 0.26 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1qj4 s VAL 33 Cb -0.17 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1qj4 s VAL 33 CO 0.14 0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 174.46 1qj4 s THR 34 N 0.68 2.64 -0.29 3.92 2.01 -0.05 -4.99 115.64 119.56 1qj4 s THR 34 Ca -0.11 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.12 1qj4 s THR 34 Cb -0.14 -2.10 0.07 0.00 0.01 0.00 0.00 72.50 70.34 1qj4 s THR 34 CO 0.02 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.43 1qj4 s ALA 35 N 0.68 2.72 0.27 7.40 0.00 -1.26 -0.53 121.76 131.04 1qj4 s ALA 35 Ca -0.08 -1.97 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1qj4 s ALA 35 Cb -0.16 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 1qj4 s ALA 35 CO 0.02 -1.35 0.63 -0.51 0.00 0.00 0.00 175.76 174.55 1qj4 s LEU 36 N 1.10 4.12 -0.24 0.00 1.43 -1.15 -4.82 118.68 119.12 1qj4 s LEU 36 Ca -0.03 1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 1qj4 s LEU 36 Cb -0.20 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1qj4 s LEU 36 CO -0.05 -0.13 0.43 -1.81 0.23 0.00 0.00 176.35 175.02 1qj4 s ASP 37 N -2.33 6.38 1.12 2.29 1.01 -1.26 -3.59 116.67 120.30 1qj4 s ASP 37 Ca 0.50 0.45 -0.19 0.00 0.71 0.00 0.00 52.55 54.03 1qj4 s ASP 37 Cb -0.11 -2.24 0.26 0.00 1.01 0.00 0.00 42.92 41.84 1qj4 s ASP 37 CO 0.20 -0.18 1.21 -0.76 0.21 0.00 0.00 175.17 175.85 1qj4 s LEU 38 N 1.85 1.53 0.38 1.23 1.43 -1.26 -4.74 118.68 119.09 1qj4 s LEU 38 Ca 0.19 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 1qj4 s LEU 38 Cb -0.15 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1qj4 s LEU 38 CO 0.09 -3.63 1.43 0.00 0.23 0.00 0.00 176.35 174.47 1qj4 s ALA 39 N -3.41 3.49 -1.86 4.21 0.00 -0.67 -2.33 121.76 121.19 1qj4 s ALA 39 Ca 0.73 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.17 1qj4 s ALA 39 Cb -0.06 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1qj4 s ALA 39 CO 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 175.33 1qj4 n ALA 40 N 0.41 -0.53 -2.59 0.00 0.00 -1.26 -4.95 120.51 111.59 1qj4 n ALA 40 Ca 0.02 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1qj4 n ALA 40 Cb 0.40 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 1qj4 n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qj4 s SER 41 N -2.27 2.12 1.74 0.00 0.01 -0.98 -4.67 113.70 109.65 1qj4 s SER 41 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1qj4 s SER 41 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1qj4 s SER 41 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1qj4 n GLY 42 N 1.01 3.47 1.50 3.44 0.00 -1.22 -0.71 105.19 112.68 1qj4 n GLY 42 Ca -0.19 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1qj4 n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qj4 n VAL 43 N 0.00 1.91 -1.93 1.61 0.24 -1.26 -4.95 118.33 113.94 1qj4 n VAL 43 Ca 0.00 -1.04 -0.41 0.00 -2.04 0.00 0.00 64.34 60.86 1qj4 n VAL 43 Cb 0.00 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.16 1qj4 n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qj4 s ASP 44 N -0.68 6.53 0.00 -1.34 2.15 0.11 -4.90 116.67 118.54 1qj4 s ASP 44 Ca 0.42 2.88 0.25 0.00 0.43 0.00 0.00 52.55 56.53 1qj4 s ASP 44 Cb 0.30 -2.66 1.08 0.00 -0.30 0.00 0.00 42.92 41.35 1qj4 s ASP 44 CO 0.15 -0.74 1.81 -0.81 -0.17 0.00 0.00 175.17 175.41 1qj4 n PRO 45 N 0.87 0.02 -2.36 4.34 -0.04 -1.26 -4.50 135.00 132.06 1qj4 n PRO 45 Ca 0.02 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 1qj4 n PRO 45 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1qj4 n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qj4 s ARG 46 N -2.97 3.91 0.14 0.54 0.52 -1.26 -5.01 118.95 114.82 1qj4 s ARG 46 Ca 0.13 0.96 0.02 0.00 -0.52 0.00 0.00 55.73 56.32 1qj4 s ARG 46 Cb 0.16 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1qj4 s ARG 46 CO 0.45 -0.30 0.27 -0.65 0.02 0.00 0.00 175.30 175.09 1qj4 s GLN 47 N -4.11 3.41 0.49 3.54 -1.52 -1.26 -3.98 119.66 116.22 1qj4 s GLN 47 Ca 0.59 -0.60 0.13 0.00 -1.95 0.00 0.00 55.36 53.54 1qj4 s GLN 47 Cb -0.10 -2.96 1.14 0.00 -0.22 0.00 0.00 33.01 30.87 1qj4 s GLN 47 CO 0.32 0.53 2.11 0.97 -0.25 0.00 0.00 175.29 178.98 1qj4 h ILE 48 N 1.71 1.04 0.00 1.08 6.09 -1.85 -1.25 117.51 124.33 1qj4 h ILE 48 Ca -0.48 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1qj4 h ILE 48 Cb 1.19 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1qj4 h ILE 48 CO 0.69 0.04 0.00 -0.62 -3.07 0.00 0.00 178.15 175.19 1qj4 n GLU 49 N -4.51 0.05 0.00 2.19 4.71 -1.26 -0.76 120.64 121.06 1qj4 n GLU 49 Ca -0.01 0.38 0.13 0.00 -0.01 0.00 0.00 57.16 57.65 1qj4 n GLU 49 Cb 0.09 -1.61 0.52 0.00 -1.01 0.00 0.00 31.44 29.43 1qj4 n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1qj4 n GLU 50 N -1.70 0.20 -4.22 3.49 1.02 -0.47 -4.82 120.64 114.14 1qj4 n GLU 50 Ca 0.02 -0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 1qj4 n GLU 50 Cb 0.13 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 1qj4 n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qj4 s ILE 51 N -2.84 3.90 -1.51 -3.67 -1.09 0.06 -5.01 121.20 111.05 1qj4 s ILE 51 Ca 0.18 -0.34 0.15 0.00 -2.23 0.00 0.00 60.65 58.40 1qj4 s ILE 51 Cb 0.19 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 38.36 1qj4 s ILE 51 CO 0.56 0.46 0.85 0.61 -1.23 0.00 0.00 174.94 176.19 1qj4 n GLY 52 N 3.93 -0.02 3.67 6.18 0.00 -1.26 -4.94 105.19 112.75 1qj4 n GLY 52 Ca -0.17 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1qj4 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qj4 s SER 53 N -1.60 -0.33 0.43 1.61 1.04 -1.26 -4.99 113.70 108.60 1qj4 s SER 53 Ca 0.14 -0.31 0.14 0.00 0.48 0.00 0.00 55.95 56.39 1qj4 s SER 53 Cb 0.12 0.58 0.94 0.00 0.10 0.00 0.00 66.02 67.77 1qj4 s SER 53 CO 0.31 -1.03 1.96 0.15 0.98 0.00 0.00 173.24 175.61 1qj4 h PHE 54 N 2.00 0.03 -0.29 5.02 3.04 -1.89 -1.02 116.94 123.83 1qj4 h PHE 54 Ca -0.24 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.65 1qj4 h PHE 54 Cb 1.26 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1qj4 h PHE 54 CO 0.34 0.23 -0.04 -0.44 -2.02 0.00 0.00 178.31 176.38 1qj4 h ASP 55 N 0.03 0.53 -0.72 0.41 5.19 -1.97 -1.81 116.42 118.08 1qj4 h ASP 55 Ca 0.00 -0.34 -0.05 0.00 -0.62 0.00 0.00 57.03 56.03 1qj4 h ASP 55 Cb 0.37 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1qj4 h ASP 55 CO 0.03 0.74 0.27 -0.08 -3.12 0.00 0.00 179.24 177.08 1qj4 h GLU 56 N 0.30 1.08 -0.79 3.56 4.81 -1.86 -2.48 114.58 119.21 1qj4 h GLU 56 Ca 0.08 -0.21 0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1qj4 h GLU 56 Cb 0.49 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1qj4 h GLU 56 CO 0.02 0.90 0.52 -0.92 -0.73 0.00 0.00 179.01 178.80 1qj4 h TYR 57 N 1.03 0.65 0.00 0.92 3.20 -1.06 -1.71 116.97 120.01 1qj4 h TYR 57 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1qj4 h TYR 57 Cb 0.24 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1qj4 h TYR 57 CO 0.02 0.27 0.00 0.43 -1.64 0.00 0.00 178.16 177.24 1qj4 n SER 58 N -4.51 0.00 -0.20 -2.11 7.64 -0.69 -1.67 113.62 112.08 1qj4 n SER 58 Ca 0.14 -0.59 0.01 0.00 1.01 0.00 0.00 58.87 59.45 1qj4 n SER 58 Cb 0.44 -0.11 0.11 0.00 -1.01 0.00 0.00 64.21 63.64 1qj4 n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1qj4 h GLU 59 N 0.00 0.19 -0.40 1.43 4.22 -1.29 -0.73 114.58 118.00 1qj4 h GLU 59 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.46 1qj4 h GLU 59 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1qj4 h GLU 59 CO 0.00 0.12 0.27 -1.35 -2.18 0.00 0.00 179.01 175.87 1qj4 h PRO 60 N 0.19 0.41 -0.25 0.92 0.11 -1.85 0.11 132.00 131.65 1qj4 h PRO 60 Ca 0.33 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 1qj4 h PRO 60 Cb 0.51 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1qj4 h PRO 60 CO -0.47 0.27 -0.15 1.25 -0.21 0.00 0.00 178.00 178.69 1qj4 h LEU 61 N 0.42 0.56 -0.63 2.35 5.85 -1.48 -1.49 115.31 120.90 1qj4 h LEU 61 Ca 0.16 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1qj4 h LEU 61 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1qj4 h LEU 61 CO -0.04 0.87 0.31 -0.07 -0.34 0.00 0.00 178.44 179.17 1qj4 h LEU 62 N 0.26 0.81 -0.61 2.25 3.38 -0.90 -1.16 115.31 119.33 1qj4 h LEU 62 Ca 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1qj4 h LEU 62 Cb 0.67 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1qj4 h LEU 62 CO 0.04 0.70 0.27 0.74 0.09 0.00 0.00 178.44 180.29 1qj4 h THR 63 N 0.86 1.22 -0.27 0.22 2.02 -0.79 -0.47 112.91 115.69 1qj4 h THR 63 Ca 0.22 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.77 1qj4 h THR 63 Cb 0.10 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1qj4 h THR 63 CO -0.03 0.26 0.12 0.15 0.37 0.00 0.00 175.52 176.39 1qj4 h PHE 64 N 0.84 0.21 -0.73 3.16 3.57 -1.01 -2.41 116.94 120.57 1qj4 h PHE 64 Ca 0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1qj4 h PHE 64 Cb 0.15 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1qj4 h PHE 64 CO 0.00 0.11 0.25 -0.07 -2.23 0.00 0.00 178.31 176.37 1qj4 h LEU 65 N 0.25 1.04 -1.13 0.59 3.38 -0.94 -2.32 115.31 116.19 1qj4 h LEU 65 Ca 0.12 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1qj4 h LEU 65 Cb 0.06 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 1qj4 h LEU 65 CO -0.10 0.96 0.60 -0.08 0.09 0.00 0.00 178.44 179.91 1qj4 h GLU 66 N 1.07 0.86 0.00 1.13 4.81 -0.88 -2.32 114.58 119.25 1qj4 h GLU 66 Ca 0.24 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1qj4 h GLU 66 Cb 0.27 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1qj4 h GLU 66 CO -0.01 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1qj4 n ALA 67 N -2.39 2.12 -2.22 2.92 0.00 -0.88 -4.79 120.51 115.27 1qj4 n ALA 67 Ca 0.18 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1qj4 n ALA 67 Cb 0.37 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1qj4 n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qj4 s LEU 68 N -2.92 4.35 0.84 0.00 1.43 -0.87 -5.00 118.68 116.50 1qj4 s LEU 68 Ca 0.14 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1qj4 s LEU 68 Cb 0.16 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.91 1qj4 s LEU 68 CO 0.43 -0.65 1.16 -2.84 0.23 0.00 0.00 176.35 174.67 1qj4 s PRO 69 N 1.56 1.51 0.33 1.29 0.02 -1.26 -4.90 135.00 133.54 1qj4 s PRO 69 Ca 0.63 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.93 1qj4 s PRO 69 Cb -0.34 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.28 1qj4 s PRO 69 CO 0.29 -2.27 1.28 -2.30 -0.33 0.00 0.00 177.00 173.67 1qj4 n PRO 70 N -3.70 2.06 0.00 5.54 -0.02 -1.26 -2.14 135.00 135.47 1qj4 n PRO 70 Ca 0.12 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1qj4 n PRO 70 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1qj4 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qj4 n GLY 71 N 0.94 2.29 3.67 -1.23 0.00 -1.26 -5.03 105.19 104.57 1qj4 n GLY 71 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1qj4 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qj4 s GLU 72 N -0.52 4.31 0.19 1.61 2.02 -0.91 -5.05 118.70 120.34 1qj4 s GLU 72 Ca 0.00 0.95 0.08 0.00 0.02 0.00 0.00 54.97 56.02 1qj4 s GLU 72 Cb 0.00 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1qj4 s GLU 72 CO 0.00 -0.26 -0.03 0.15 0.02 0.00 0.00 175.26 175.14 1qj4 s LYS 73 N 1.93 2.29 0.21 1.61 1.02 -1.26 -4.75 119.74 120.78 1qj4 s LYS 73 Ca 0.37 -1.20 0.07 0.00 0.02 0.00 0.00 55.97 55.23 1qj4 s LYS 73 Cb -0.17 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1qj4 s LYS 73 CO 0.13 0.43 -0.12 0.14 -0.92 0.00 0.00 175.35 175.01 1qj4 s VAL 74 N -1.82 1.60 -0.29 3.17 -7.23 -0.03 -4.55 120.40 111.25 1qj4 s VAL 74 Ca 0.27 -2.17 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1qj4 s VAL 74 Cb -0.09 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1qj4 s VAL 74 CO 0.18 -0.57 0.11 -0.63 -0.31 0.00 0.00 175.10 173.88 1qj4 s ILE 75 N -3.05 4.40 0.23 -0.62 1.01 -0.23 -0.50 121.20 122.44 1qj4 s ILE 75 Ca 0.23 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 1qj4 s ILE 75 Cb 0.01 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 1qj4 s ILE 75 CO 0.06 0.15 0.87 -0.76 0.00 0.00 0.00 174.94 175.27 1qj4 s LEU 76 N 1.59 4.56 -0.17 2.97 1.43 -0.68 -1.00 118.68 127.39 1qj4 s LEU 76 Ca 0.05 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1qj4 s LEU 76 Cb -0.17 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.53 1qj4 s LEU 76 CO 0.05 0.13 -0.00 -0.69 0.23 0.00 0.00 176.35 176.06 1qj4 s VAL 77 N -1.26 0.76 -0.11 -1.59 1.01 -0.10 -0.22 120.40 118.89 1qj4 s VAL 77 Ca 0.41 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1qj4 s VAL 77 Cb -0.23 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1qj4 s VAL 77 CO 0.28 -0.02 -0.20 -0.83 0.00 0.00 0.00 175.10 174.33 1qj4 s GLY 78 N 1.77 1.41 -0.01 4.51 0.00 -0.16 -0.35 107.32 114.48 1qj4 s GLY 78 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 1qj4 s GLY 78 CO -0.07 -0.32 0.27 -1.83 0.00 0.00 0.00 173.10 171.15 1qj4 s GLU 79 N 0.28 3.61 5.01 2.90 -1.05 -0.80 -0.91 118.70 127.74 1qj4 s GLU 79 Ca -0.14 -0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 1qj4 s GLU 79 Cb -0.17 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 1qj4 s GLU 79 CO 0.07 0.68 0.00 0.43 0.95 0.00 0.00 175.26 177.39 1qj4 n SER 80 N 1.38 0.00 0.00 0.83 7.64 -0.88 -0.39 113.62 122.20 1qj4 n SER 80 Ca -0.13 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.87 1qj4 n SER 80 Cb 0.53 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.32 1qj4 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qj4 h GLY 82 N 4.15 0.00 1.70 0.00 0.00 -0.90 -1.75 103.07 106.27 1qj4 h GLY 82 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1qj4 h GLY 82 CO 0.00 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.32 1qj4 h GLY 83 N 0.00 0.00 1.19 4.60 0.00 -1.71 -1.37 103.07 105.78 1qj4 h GLY 83 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 1qj4 h GLY 83 CO -0.00 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.61 1qj4 h LEU 84 N 0.00 0.94 -0.96 3.11 3.38 -1.55 -2.16 115.31 118.08 1qj4 h LEU 84 Ca 0.07 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qj4 h LEU 84 Cb 0.29 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1qj4 h LEU 84 CO -0.00 1.18 0.58 0.78 0.09 0.00 0.00 178.44 181.07 1qj4 h ASN 85 N 0.75 1.15 -0.27 -0.43 4.21 -1.42 -1.82 115.58 117.74 1qj4 h ASN 85 Ca 0.07 -0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.55 1qj4 h ASN 85 Cb 0.91 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 1qj4 h ASN 85 CO 0.08 0.88 0.05 0.40 -1.29 0.00 0.00 177.43 177.55 1qj4 h ILE 86 N 1.32 0.87 -0.44 2.81 2.04 -1.12 -0.52 117.51 122.48 1qj4 h ILE 86 Ca 0.34 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1qj4 h ILE 86 Cb -0.06 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1qj4 h ILE 86 CO -0.06 0.03 0.23 0.00 0.00 0.00 0.00 178.15 178.34 1qj4 h ALA 87 N 1.20 0.56 -0.18 1.87 0.00 -1.10 0.51 119.26 122.12 1qj4 h ALA 87 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qj4 h ALA 87 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qj4 h ALA 87 CO -0.17 0.11 0.03 0.82 0.00 0.00 0.00 179.25 180.04 1qj4 h ILE 88 N 0.57 0.91 -0.89 0.00 2.04 -1.20 -2.54 117.51 116.39 1qj4 h ILE 88 Ca 0.15 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 1qj4 h ILE 88 Cb 0.09 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1qj4 h ILE 88 CO -0.02 0.02 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1qj4 h ALA 89 N 1.13 1.19 0.00 1.87 0.00 -0.75 -2.85 119.26 119.85 1qj4 h ALA 89 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1qj4 h ALA 89 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1qj4 h ALA 89 CO -0.11 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.62 1qj4 h ALA 90 N 1.29 1.15 0.00 0.00 0.00 -0.63 0.52 119.26 121.59 1qj4 h ALA 90 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qj4 h ALA 90 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qj4 h ALA 90 CO -0.05 0.22 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1qj4 n ASP 91 N -3.52 0.00 -0.03 0.00 8.00 -0.98 -2.47 116.55 117.56 1qj4 n ASP 91 Ca -0.01 -0.39 -0.03 0.00 0.71 0.00 0.00 54.79 55.07 1qj4 n ASP 91 Cb 0.33 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1qj4 n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qj4 n LYS 92 N -1.20 2.32 -2.42 -1.24 4.76 -0.63 -4.89 118.16 114.86 1qj4 n LYS 92 Ca 0.17 0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.56 1qj4 n LYS 92 Cb 0.20 -1.13 0.05 0.00 -1.84 0.00 0.00 35.03 32.30 1qj4 n LYS 92 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1qj4 n TYR 93 N -2.33 1.48 -0.26 2.13 4.01 0.08 -4.90 117.16 117.37 1qj4 n TYR 93 Ca -0.09 -1.99 0.14 0.00 -0.16 0.00 0.00 57.90 55.80 1qj4 n TYR 93 Cb 0.65 -0.25 0.41 0.00 -0.31 0.00 0.00 39.34 39.84 1qj4 n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qj4 h GLU 95 N 0.62 0.00 -0.02 0.00 9.09 -1.90 -2.15 114.58 120.21 1qj4 h GLU 95 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1qj4 h GLU 95 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1qj4 h GLU 95 CO -0.21 0.00 -0.07 1.63 0.05 0.00 0.00 179.01 180.42 1qj4 n LYS 96 N -2.31 1.74 -3.78 1.06 5.02 -0.27 -4.84 118.16 114.78 1qj4 n LYS 96 Ca 0.02 -1.21 -0.37 0.00 -2.02 0.00 0.00 58.31 54.73 1qj4 n LYS 96 Cb 0.22 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1qj4 n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qj4 s ILE 97 N -2.09 3.61 0.16 -0.18 1.01 -0.81 -0.85 121.20 122.04 1qj4 s ILE 97 Ca 0.32 -1.24 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 1qj4 s ILE 97 Cb 0.20 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1qj4 s ILE 97 CO 0.36 -0.20 1.54 0.00 0.00 0.00 0.00 174.94 176.64 1qj4 h ALA 98 N 8.17 0.68 -2.27 9.38 0.00 -1.08 -3.46 119.26 130.67 1qj4 h ALA 98 Ca -0.22 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.39 1qj4 h ALA 98 Cb 1.08 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 1qj4 h ALA 98 CO 0.60 0.68 0.48 0.00 0.00 0.00 0.00 179.25 181.01 1qj4 s ALA 99 N -4.65 -1.82 -0.07 0.00 0.00 -1.25 -4.52 121.76 109.45 1qj4 s ALA 99 Ca -0.11 1.02 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1qj4 s ALA 99 Cb 0.12 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1qj4 s ALA 99 CO 0.87 -0.67 -0.24 0.00 0.00 0.00 0.00 175.76 175.72 1qj4 s ALA 100 N -3.05 2.21 -0.18 0.00 0.00 -0.05 -1.68 121.76 118.99 1qj4 s ALA 100 Ca 0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1qj4 s ALA 100 Cb -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1qj4 s ALA 100 CO -0.09 0.38 -0.07 0.08 0.00 0.00 0.00 175.76 176.06 1qj4 s VAL 101 N -0.01 3.32 -0.23 0.00 1.01 0.69 -0.94 120.40 124.24 1qj4 s VAL 101 Ca -0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1qj4 s VAL 101 Cb -0.15 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1qj4 s VAL 101 CO 0.05 0.46 0.20 -0.36 0.00 0.00 0.00 175.10 175.46 1qj4 s PHE 102 N 1.00 3.34 -0.38 5.22 0.40 0.21 -0.99 117.98 126.78 1qj4 s PHE 102 Ca -0.00 0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1qj4 s PHE 102 Cb -0.15 -2.30 0.11 0.00 0.51 0.00 0.00 43.02 41.19 1qj4 s PHE 102 CO -0.00 0.08 0.11 -1.58 0.70 0.00 0.00 175.22 174.52 1qj4 s HIS 103 N 1.03 3.66 -1.46 0.36 2.46 -0.08 -0.25 115.29 121.01 1qj4 s HIS 103 Ca 0.10 -2.96 -0.07 0.00 0.47 0.00 0.00 55.06 52.59 1qj4 s HIS 103 Cb -0.13 -2.96 0.01 0.00 -0.13 0.00 0.00 32.58 29.37 1qj4 s HIS 103 CO 0.04 -0.92 0.21 0.09 -2.47 0.00 0.00 174.74 171.69 1qj4 n ASN 104 N 4.11 -0.34 -4.48 9.88 3.02 -0.17 -2.06 115.26 125.22 1qj4 n ASN 104 Ca 0.03 -1.24 -0.27 0.00 -0.03 0.00 0.00 54.58 53.07 1qj4 n ASN 104 Cb 0.40 -1.83 -0.11 0.00 -0.61 0.00 0.00 39.78 37.64 1qj4 n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qj4 s SER 105 N -4.20 3.73 0.47 6.41 0.15 -1.26 -2.14 113.70 116.87 1qj4 s SER 105 Ca 0.11 -0.75 -0.24 0.00 0.70 0.00 0.00 55.95 55.77 1qj4 s SER 105 Cb -0.06 -0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 63.74 1qj4 s SER 105 CO 0.98 0.12 1.33 1.33 1.20 0.00 0.00 173.24 178.20 1qj4 n VAL 106 N 0.23 2.98 -3.74 4.45 0.24 0.13 -4.88 118.33 117.75 1qj4 n VAL 106 Ca -0.12 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.39 1qj4 n VAL 106 Cb 0.56 -1.66 -0.12 0.00 -1.47 0.00 0.00 33.84 31.15 1qj4 n VAL 106 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1qj4 s LEU 107 N -2.41 3.42 0.90 1.34 2.96 -1.26 -4.09 118.68 119.53 1qj4 s LEU 107 Ca 0.64 -3.27 -0.10 0.00 -0.22 0.00 0.00 54.13 51.18 1qj4 s LEU 107 Cb -0.46 -1.20 0.13 0.00 0.50 0.00 0.00 46.19 45.16 1qj4 s LEU 107 CO 0.55 -0.17 1.13 -2.84 -1.32 0.00 0.00 176.35 173.71 1qj4 s PRO 108 N -0.52 1.19 0.10 0.98 0.02 -1.26 -4.92 135.00 130.58 1qj4 s PRO 108 Ca 0.24 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1qj4 s PRO 108 Cb -0.10 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.67 1qj4 s PRO 108 CO -0.11 -2.48 0.01 -0.40 -0.33 0.00 0.00 177.00 173.69 1qj4 n ASP 109 N -4.12 1.86 -0.15 2.53 5.68 -1.26 -5.04 116.55 116.05 1qj4 n ASP 109 Ca 0.11 -1.45 0.04 0.00 -0.50 0.00 0.00 54.79 52.99 1qj4 n ASP 109 Cb 0.52 0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.61 1qj4 n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qj4 n THR 110 N -0.23 0.00 0.05 2.12 -2.24 -1.26 -4.43 114.28 108.29 1qj4 n THR 110 Ca -0.03 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1qj4 n THR 110 Cb 0.13 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 1qj4 n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qj4 n GLU 111 N -0.43 0.63 -4.57 -0.78 -0.58 -1.26 -4.80 120.64 108.84 1qj4 n GLU 111 Ca 0.03 0.06 -0.26 0.00 -0.42 0.00 0.00 57.16 56.57 1qj4 n GLU 111 Cb 0.16 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.19 1qj4 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1qj4 s HIS 112 N -3.25 2.20 0.79 -0.32 3.76 -1.26 -5.12 115.29 112.08 1qj4 s HIS 112 Ca -0.03 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 53.93 1qj4 s HIS 112 Cb 0.10 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.31 1qj4 s HIS 112 CO 0.83 0.22 1.10 0.00 -0.85 0.00 0.00 174.74 176.03 1qj4 h PRO 114 N -1.18 0.00 0.00 0.00 0.11 -1.81 -0.82 132.00 128.30 1qj4 h PRO 114 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qj4 h PRO 114 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qj4 h PRO 114 CO 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 1qj4 n SER 115 N -3.77 0.00 -0.14 -2.05 3.41 -1.25 -4.48 113.62 105.34 1qj4 n SER 115 Ca -0.01 0.41 -0.04 0.00 -0.26 0.00 0.00 58.87 58.96 1qj4 n SER 115 Cb 0.17 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1qj4 n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1qj4 h TYR 116 N 0.00 -0.35 0.00 7.33 3.20 -1.48 0.36 116.97 126.03 1qj4 h TYR 116 Ca 0.00 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1qj4 h TYR 116 Cb 0.44 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1qj4 h TYR 116 CO 0.00 -0.24 -0.39 -0.39 -1.64 0.00 0.00 178.16 175.50 1qj4 h VAL 117 N -0.05 0.74 -0.26 1.81 -1.51 -1.82 -2.16 116.25 112.99 1qj4 h VAL 117 Ca 0.22 -1.82 -0.09 0.00 -1.23 0.00 0.00 66.70 63.77 1qj4 h VAL 117 Cb 0.38 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1qj4 h VAL 117 CO -0.49 0.39 -0.20 0.58 -1.23 0.00 0.00 177.57 176.61 1qj4 h VAL 118 N 0.00 1.31 -0.68 7.19 2.07 -1.50 -0.75 116.25 123.89 1qj4 h VAL 118 Ca -0.00 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.24 1qj4 h VAL 118 Cb 1.17 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1qj4 h VAL 118 CO 0.05 0.42 0.37 0.44 0.02 0.00 0.00 177.57 178.88 1qj4 h ASP 119 N 0.33 0.55 -0.36 0.57 3.32 -0.86 -1.79 116.42 118.18 1qj4 h ASP 119 Ca 0.05 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1qj4 h ASP 119 Cb 0.74 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1qj4 h ASP 119 CO 0.05 0.35 0.07 0.50 -1.72 0.00 0.00 179.24 178.49 1qj4 h LYS 120 N 0.68 0.59 -0.74 3.56 1.63 -1.29 -2.74 116.57 118.26 1qj4 h LYS 120 Ca 0.31 -0.15 0.13 0.00 -0.85 0.00 0.00 60.65 60.09 1qj4 h LYS 120 Cb 0.21 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.67 1qj4 h LYS 120 CO -0.19 0.65 0.30 1.25 -3.45 0.00 0.00 179.45 178.01 1qj4 h LEU 121 N 0.43 0.30 -1.45 5.20 5.85 -0.75 -1.31 115.31 123.58 1qj4 h LEU 121 Ca 0.11 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1qj4 h LEU 121 Cb 0.34 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1qj4 h LEU 121 CO 0.01 0.13 -0.25 0.24 -0.34 0.00 0.00 178.44 178.22 1qj4 h MET 122 N 0.46 0.00 -0.18 1.25 2.86 -1.13 0.14 114.93 118.33 1qj4 h MET 122 Ca 0.40 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.85 1qj4 h MET 122 Cb 0.58 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1qj4 h MET 122 CO -0.38 0.25 -0.64 0.93 1.06 0.00 0.00 176.91 178.13 1qj4 h GLU 123 N 0.00 0.75 -0.07 1.72 5.08 -0.98 -3.11 114.58 117.98 1qj4 h GLU 123 Ca -0.00 -0.57 -0.19 0.00 -1.00 0.00 0.00 59.36 57.60 1qj4 h GLU 123 Cb 0.57 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1qj4 h GLU 123 CO 0.03 1.19 -0.74 0.28 -1.00 0.00 0.00 179.01 178.77 1qj4 h VAL 124 N 0.48 1.39 -2.65 3.13 2.07 -0.77 -3.38 116.25 116.52 1qj4 h VAL 124 Ca -0.03 -2.18 -0.60 0.00 0.82 0.00 0.00 66.70 64.71 1qj4 h VAL 124 Cb 1.27 2.14 -0.40 0.00 -1.52 0.00 0.00 31.29 32.78 1qj4 h VAL 124 CO 0.14 0.65 -0.77 0.33 0.02 0.00 0.00 177.57 177.93 1qj4 n PHE 125 N -3.82 1.35 0.40 1.57 7.35 0.42 -4.97 117.46 119.76 1qj4 n PHE 125 Ca -0.04 -3.84 0.12 0.00 -0.76 0.00 0.00 57.45 52.92 1qj4 n PHE 125 Cb 0.72 -0.24 0.16 0.00 0.35 0.00 0.00 39.48 40.46 1qj4 n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1qj4 h PRO 126 N 5.29 0.00 -4.49 -7.13 0.13 -1.73 -3.41 132.00 120.66 1qj4 h PRO 126 Ca 0.20 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.62 1qj4 h PRO 126 Cb 0.82 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.66 1qj4 h PRO 126 CO 0.57 0.00 -0.50 0.34 -0.23 0.00 0.00 178.00 178.18 1qj4 s ASP 127 N -4.86 5.52 -0.13 1.44 -1.08 -1.26 -4.94 116.67 111.35 1qj4 s ASP 127 Ca 0.05 -1.53 0.10 0.00 -0.52 0.00 0.00 52.55 50.65 1qj4 s ASP 127 Cb 0.11 -1.94 0.51 0.00 -1.46 0.00 0.00 42.92 40.14 1qj4 s ASP 127 CO 0.72 -0.50 1.31 0.79 0.52 0.00 0.00 175.17 178.00 1qj4 n TRP 128 N 4.85 1.25 0.00 -5.34 7.02 -1.26 -5.01 117.44 118.95 1qj4 n TRP 128 Ca -0.09 -0.44 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 1qj4 n TRP 128 Cb 0.43 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1qj4 n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1qj4 n LYS 129 N 0.46 0.00 -0.20 -0.99 5.02 -1.26 -1.91 118.16 119.29 1qj4 n LYS 129 Ca 0.18 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1qj4 n LYS 129 Cb 0.80 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 36.01 1qj4 n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qj4 n ASP 130 N 8.90 2.17 -4.74 4.39 5.75 -1.26 -4.91 116.55 126.85 1qj4 n ASP 130 Ca 0.00 -1.98 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 1qj4 n ASP 130 Cb 0.00 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1qj4 n ASP 130 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1qj4 n THR 131 N 0.68 1.79 -4.20 2.12 -1.04 -0.80 -4.24 114.28 108.59 1qj4 n THR 131 Ca 0.14 -0.45 -0.25 0.00 -2.04 0.00 0.00 64.05 61.45 1qj4 n THR 131 Cb 0.35 -1.81 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 1qj4 n THR 131 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qj4 s THR 132 N -0.88 3.84 0.12 12.58 -4.23 -0.78 -4.85 115.64 121.43 1qj4 s THR 132 Ca 0.56 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1qj4 s THR 132 Cb -0.52 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1qj4 s THR 132 CO 0.60 -0.20 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.05 1qj4 s TYR 133 N -1.92 1.30 0.23 3.99 2.02 -1.26 -1.13 117.35 120.57 1qj4 s TYR 133 Ca 0.29 -0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 1qj4 s TYR 133 Cb -0.09 -0.68 -0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1qj4 s TYR 133 CO 0.20 0.10 0.44 -0.59 -1.57 0.00 0.00 175.55 174.13 1qj4 s PHE 134 N -2.35 0.35 0.09 2.71 -0.71 -0.64 -4.98 117.98 112.45 1qj4 s PHE 134 Ca 0.09 -0.71 0.08 0.00 -1.04 0.00 0.00 56.93 55.35 1qj4 s PHE 134 Cb -0.04 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 1qj4 s PHE 134 CO 0.02 -0.93 -0.20 0.95 -1.34 0.00 0.00 175.22 173.72 1qj4 s THR 135 N -4.00 1.62 0.12 -4.49 -4.23 -1.26 -0.24 115.64 103.17 1qj4 s THR 135 Ca 0.21 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1qj4 s THR 135 Cb 0.00 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 1qj4 s THR 135 CO 0.06 -0.05 0.12 -0.72 -0.54 0.00 0.00 174.62 173.49 1qj4 s TYR 136 N -1.12 0.62 -0.11 3.99 1.13 -0.42 -4.96 117.35 116.47 1qj4 s TYR 136 Ca 0.05 -1.02 -0.00 0.00 -1.41 0.00 0.00 57.07 54.69 1qj4 s TYR 136 Cb -0.10 -0.31 -0.02 0.00 -1.10 0.00 0.00 41.96 40.43 1qj4 s TYR 136 CO 0.04 -0.56 -0.10 0.99 -2.51 0.00 0.00 175.55 173.41 1qj4 s THR 137 N -3.99 3.34 -0.10 -3.49 2.01 -1.26 -0.12 115.64 112.04 1qj4 s THR 137 Ca 0.18 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1qj4 s THR 137 Cb 0.06 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.22 1qj4 s THR 137 CO -0.02 0.54 0.22 -0.75 -0.69 0.00 0.00 174.62 173.92 1qj4 s LYS 138 N 0.03 0.17 -1.56 4.92 2.47 -0.43 -4.87 119.74 120.48 1qj4 s LYS 138 Ca -0.03 0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 54.76 1qj4 s LYS 138 Cb -0.14 -0.14 0.09 0.00 -1.46 0.00 0.00 37.83 36.19 1qj4 s LYS 138 CO 0.04 -0.17 0.80 -0.25 0.16 0.00 0.00 175.35 175.92 1qj4 n ASP 139 N 4.29 -3.22 0.00 1.43 8.00 -1.26 -1.84 116.55 123.95 1qj4 n ASP 139 Ca -0.24 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1qj4 n ASP 139 Cb 0.52 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 1qj4 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qj4 n GLY 140 N -1.63 0.72 3.44 0.44 0.00 -1.26 -5.01 105.19 101.89 1qj4 n GLY 140 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1qj4 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qj4 s LYS 141 N -0.03 1.72 -0.22 1.61 -0.14 -0.77 -5.10 119.74 116.81 1qj4 s LYS 141 Ca 0.00 -1.19 -0.21 0.00 -1.36 0.00 0.00 55.97 53.21 1qj4 s LYS 141 Cb 0.00 -2.05 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1qj4 s LYS 141 CO 0.00 0.48 0.65 -1.21 -0.76 0.00 0.00 175.35 174.52 1qj4 s GLU 142 N -1.90 4.18 -0.09 1.68 0.41 -1.26 -1.31 118.70 120.41 1qj4 s GLU 142 Ca 0.15 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.35 1qj4 s GLU 142 Cb -0.10 -3.61 -0.03 0.00 -1.78 0.00 0.00 34.13 28.61 1qj4 s GLU 142 CO 0.07 -0.33 -0.09 0.42 -0.49 0.00 0.00 175.26 174.85 1qj4 s ILE 143 N 2.20 3.52 -0.32 -1.63 1.01 0.83 -4.96 121.20 121.85 1qj4 s ILE 143 Ca 0.29 -0.53 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 1qj4 s ILE 143 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1qj4 s ILE 143 CO 0.10 0.56 0.54 -0.89 0.00 0.00 0.00 174.94 175.25 1qj4 s THR 144 N -0.36 5.01 0.36 2.92 2.01 -1.26 -1.30 115.64 123.01 1qj4 s THR 144 Ca 0.05 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.68 1qj4 s THR 144 Cb -0.12 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1qj4 s THR 144 CO 0.02 -0.12 0.53 -0.83 -0.69 0.00 0.00 174.62 173.53 1qj4 s GLY 145 N 1.69 1.47 0.04 4.40 0.00 0.67 -4.42 107.32 111.17 1qj4 s GLY 145 Ca 0.21 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 1qj4 s GLY 145 CO 0.12 -1.09 0.06 0.48 0.00 0.00 0.00 173.10 172.68 1qj4 s LEU 146 N -4.29 1.95 -0.18 0.66 2.34 0.12 -1.62 118.68 117.66 1qj4 s LEU 146 Ca 0.43 -0.61 -0.00 0.00 0.06 0.00 0.00 54.13 54.01 1qj4 s LEU 146 Cb -0.10 0.50 0.04 0.00 -0.56 0.00 0.00 46.19 46.07 1qj4 s LEU 146 CO 0.34 -0.51 -0.06 -0.75 -1.06 0.00 0.00 176.35 174.31 1qj4 s LYS 147 N -2.72 1.56 0.21 1.48 2.20 -0.29 -1.18 119.74 121.00 1qj4 s LYS 147 Ca -0.04 -0.62 -0.32 0.00 -0.36 0.00 0.00 55.97 54.63 1qj4 s LYS 147 Cb -0.01 -2.14 -0.13 0.00 -1.51 0.00 0.00 37.83 34.05 1qj4 s LYS 147 CO -0.05 -0.45 1.62 1.28 -0.36 0.00 0.00 175.35 177.39 1qj4 n LEU 148 N 4.82 3.65 -4.77 5.43 4.77 -1.26 -1.87 117.00 127.77 1qj4 n LEU 148 Ca -0.12 1.09 -0.38 0.00 -0.03 0.00 0.00 56.01 56.57 1qj4 n LEU 148 Cb 0.47 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1qj4 n LEU 148 CO 0.17 -0.06 0.84 -0.83 -1.33 0.00 0.00 177.39 176.18 1qj4 s GLY 149 N 0.87 2.82 0.30 -0.72 0.00 -1.26 -4.84 107.32 104.49 1qj4 s GLY 149 Ca 0.74 0.95 0.03 0.00 0.00 0.00 0.00 44.72 46.45 1qj4 s GLY 149 CO 0.39 1.44 1.78 0.74 0.00 0.00 0.00 173.10 177.45 1qj4 h PHE 150 N 2.36 0.52 -0.42 1.90 0.04 -1.92 0.10 116.94 119.52 1qj4 h PHE 150 Ca -0.49 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.07 1qj4 h PHE 150 Cb 1.24 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1qj4 h PHE 150 CO 0.54 0.62 -0.20 1.15 -0.60 0.00 0.00 178.31 179.83 1qj4 h THR 151 N 0.44 1.28 -0.51 -1.55 2.02 -1.94 -0.68 112.91 111.97 1qj4 h THR 151 Ca 0.08 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1qj4 h THR 151 Cb 0.55 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1qj4 h THR 151 CO 0.04 0.45 0.29 0.25 0.37 0.00 0.00 175.52 176.92 1qj4 h LEU 152 N 0.70 0.46 -0.25 2.58 5.85 -1.75 -0.61 115.31 122.28 1qj4 h LEU 152 Ca 0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1qj4 h LEU 152 Cb 0.76 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1qj4 h LEU 152 CO 0.06 0.32 0.08 -0.07 -0.34 0.00 0.00 178.44 178.49 1qj4 h LEU 153 N 0.58 0.09 -0.37 2.25 3.38 -0.64 0.37 115.31 120.96 1qj4 h LEU 153 Ca 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1qj4 h LEU 153 Cb 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1qj4 h LEU 153 CO -0.11 0.08 0.07 -0.09 0.09 0.00 0.00 178.44 178.48 1qj4 h ARG 154 N 0.20 0.61 0.05 1.13 2.43 -0.65 0.04 114.38 118.19 1qj4 h ARG 154 Ca 0.11 -0.16 -0.32 0.00 -0.81 0.00 0.00 59.98 58.80 1qj4 h ARG 154 Cb 0.08 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1qj4 h ARG 154 CO -0.11 0.67 -1.82 0.39 -1.51 0.00 0.00 179.97 177.59 1qj4 n GLU 155 N -4.56 0.68 -0.04 0.20 1.02 -0.28 -3.30 120.64 114.36 1qj4 n GLU 155 Ca -0.01 0.29 -0.05 0.00 -0.02 0.00 0.00 57.16 57.37 1qj4 n GLU 155 Cb 0.22 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 1qj4 n GLU 155 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qj4 n ASN 156 N -3.22 3.09 -0.11 1.62 4.13 0.10 -4.37 115.26 116.51 1qj4 n ASN 156 Ca -0.23 -0.02 -0.22 0.00 1.68 0.00 0.00 54.58 55.80 1qj4 n ASN 156 Cb 1.05 0.46 -0.12 0.00 -1.54 0.00 0.00 39.78 39.63 1qj4 n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qj4 n LEU 157 N -2.43 2.61 -1.30 3.41 4.32 -1.07 -3.59 117.00 118.94 1qj4 n LEU 157 Ca -0.14 0.07 -0.08 0.00 -0.02 0.00 0.00 56.01 55.84 1qj4 n LEU 157 Cb 0.74 -0.93 0.18 0.00 -1.62 0.00 0.00 43.42 41.79 1qj4 n LEU 157 CO 0.15 0.80 0.70 -1.22 -1.22 0.00 0.00 177.39 176.59 1qj4 n TYR 158 N -3.60 1.33 -0.27 -1.77 4.02 -0.01 -3.30 117.16 113.56 1qj4 n TYR 158 Ca -0.45 -1.73 0.05 0.00 -0.01 0.00 0.00 57.90 55.76 1qj4 n TYR 158 Cb 0.96 -0.53 0.14 0.00 -0.02 0.00 0.00 39.34 39.88 1qj4 n TYR 158 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1qj4 h THR 159 N 1.08 0.25 -0.30 -0.72 2.02 -1.75 -1.47 112.91 112.02 1qj4 h THR 159 Ca 0.26 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1qj4 h THR 159 Cb 1.64 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1qj4 h THR 159 CO 0.48 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.56 1qj4 n LEU 160 N -5.44 3.00 -4.82 2.58 4.77 -1.26 -4.94 117.00 110.89 1qj4 n LEU 160 Ca 0.13 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.62 1qj4 n LEU 160 Cb 0.47 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1qj4 n LEU 160 CO 0.00 0.70 0.71 0.00 -1.33 0.00 0.00 177.39 177.47 1qj4 s GLY 162 N -3.17 1.66 0.49 0.00 0.00 -1.26 -4.81 107.32 100.23 1qj4 s GLY 162 Ca 0.61 0.16 0.15 0.00 0.00 0.00 0.00 44.72 45.63 1qj4 s GLY 162 CO 0.40 0.52 2.08 -2.55 0.00 0.00 0.00 173.10 173.56 1qj4 h PRO 163 N -1.11 0.17 0.00 2.90 0.11 -1.97 -1.38 132.00 130.72 1qj4 h PRO 163 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1qj4 h PRO 163 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1qj4 h PRO 163 CO 0.53 0.11 -0.45 1.05 -0.21 0.00 0.00 178.00 179.03 1qj4 h GLU 164 N 0.18 0.00 0.03 1.05 9.09 -1.99 -0.50 114.58 122.44 1qj4 h GLU 164 Ca 0.11 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.37 1qj4 h GLU 164 Cb 0.22 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 1qj4 h GLU 164 CO -0.02 0.45 -0.61 0.93 0.05 0.00 0.00 179.01 179.82 1qj4 h GLU 165 N 0.00 0.35 -0.96 1.06 5.08 -1.64 -2.85 114.58 115.62 1qj4 h GLU 165 Ca -0.00 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1qj4 h GLU 165 Cb 1.06 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1qj4 h GLU 165 CO 0.06 1.12 0.62 -0.92 -1.00 0.00 0.00 179.01 178.89 1qj4 h TYR 166 N -0.22 1.14 -0.59 4.33 3.20 -1.34 -2.14 116.97 121.35 1qj4 h TYR 166 Ca -0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1qj4 h TYR 166 Cb 1.36 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 1qj4 h TYR 166 CO 0.16 0.60 0.30 1.49 -1.64 0.00 0.00 178.16 179.08 1qj4 h GLU 167 N 1.13 0.83 -0.99 1.82 4.57 -1.11 -0.97 114.58 119.85 1qj4 h GLU 167 Ca 0.41 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.55 1qj4 h GLU 167 Cb 0.16 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.53 1qj4 h GLU 167 CO -0.16 0.65 0.63 -0.07 -1.18 0.00 0.00 179.01 178.89 1qj4 h LEU 168 N 0.79 1.01 -0.55 1.64 3.38 -1.18 -0.58 115.31 119.81 1qj4 h LEU 168 Ca 0.20 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1qj4 h LEU 168 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1qj4 h LEU 168 CO -0.03 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.17 1qj4 h ALA 169 N 1.46 0.74 -0.89 1.53 0.00 -0.70 0.49 119.26 121.88 1qj4 h ALA 169 Ca 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1qj4 h ALA 169 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1qj4 h ALA 169 CO -0.18 0.53 0.48 0.87 0.00 0.00 0.00 179.25 180.95 1qj4 h LYS 170 N 0.83 1.25 -0.31 0.00 1.57 -0.57 -1.06 116.57 118.29 1qj4 h LYS 170 Ca 0.16 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1qj4 h LYS 170 Cb 0.49 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1qj4 h LYS 170 CO 0.02 0.92 -0.49 0.52 -0.57 0.00 0.00 179.45 179.85 1qj4 h MET 171 N 1.25 0.87 0.00 3.15 2.86 -0.72 -3.39 114.93 118.96 1qj4 h MET 171 Ca 0.31 -0.53 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1qj4 h MET 171 Cb 0.04 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1qj4 h MET 171 CO -0.05 1.17 -1.69 1.28 1.06 0.00 0.00 176.91 178.68 1qj4 n LEU 172 N -4.05 0.00 -4.77 1.22 4.77 0.13 -4.98 117.00 109.33 1qj4 n LEU 172 Ca -0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 1qj4 n LEU 172 Cb 0.60 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1qj4 n LEU 172 CO 0.50 0.06 1.01 0.42 -1.33 0.00 0.00 177.39 178.05 1qj4 s THR 173 N -2.85 2.37 0.33 -5.08 -4.23 -0.41 -4.77 115.64 101.00 1qj4 s THR 173 Ca -0.05 0.33 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1qj4 s THR 173 Cb 0.08 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.66 1qj4 s THR 173 CO 0.57 0.05 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.54 1qj4 s ARG 174 N -2.32 1.72 0.46 3.99 0.52 -0.70 -5.00 118.95 117.62 1qj4 s ARG 174 Ca 0.58 -1.92 -0.24 0.00 -0.52 0.00 0.00 55.73 53.63 1qj4 s ARG 174 Cb -0.41 -1.33 -0.08 0.00 0.52 0.00 0.00 34.95 33.65 1qj4 s ARG 174 CO 0.52 -0.00 1.29 0.36 0.02 0.00 0.00 175.30 177.49 1qj4 n LYS 175 N -0.73 1.87 -1.35 3.54 2.85 -1.26 -4.42 118.16 118.65 1qj4 n LYS 175 Ca -0.05 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1qj4 n LYS 175 Cb 0.65 -2.43 0.00 0.00 -0.65 0.00 0.00 35.03 32.59 1qj4 n LYS 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qj4 n GLY 176 N 0.80 3.10 3.40 2.58 0.00 -0.33 -4.73 105.19 110.03 1qj4 n GLY 176 Ca 0.07 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 1qj4 n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qj4 s SER 177 N -0.75 -0.47 0.22 1.61 0.15 -1.26 -0.70 113.70 112.49 1qj4 s SER 177 Ca 0.00 0.60 0.26 0.00 0.70 0.00 0.00 55.95 57.51 1qj4 s SER 177 Cb 0.00 0.61 0.72 0.00 -1.71 0.00 0.00 66.02 65.65 1qj4 s SER 177 CO 0.00 -0.44 1.71 -0.07 1.20 0.00 0.00 173.24 175.64 1qj4 h LEU 178 N 3.90 0.00 -1.08 3.45 3.38 -1.98 -3.48 115.31 119.50 1qj4 h LEU 178 Ca -0.28 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.16 1qj4 h LEU 178 Cb 1.16 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 1qj4 h LEU 178 CO 0.33 0.01 -0.79 0.49 0.09 0.00 0.00 178.44 178.57 1qj4 n PHE 179 N -2.31 -2.07 -0.20 1.13 3.72 -1.26 -4.83 117.46 111.64 1qj4 n PHE 179 Ca 0.05 0.86 -0.07 0.00 -0.05 0.00 0.00 57.45 58.24 1qj4 n PHE 179 Cb 0.44 -3.61 0.02 0.00 -0.94 0.00 0.00 39.48 35.40 1qj4 n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1qj4 h GLN 180 N -1.86 0.79 0.00 -1.08 4.15 -1.93 0.32 115.11 115.51 1qj4 h GLN 180 Ca -0.59 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 58.63 1qj4 h GLN 180 Cb 1.38 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1qj4 h GLN 180 CO 0.71 0.64 -0.41 -2.95 -1.93 0.00 0.00 178.83 174.89 1qj4 h ASN 181 N 0.75 0.00 -0.04 -0.69 -1.07 -1.94 -0.97 115.58 111.62 1qj4 h ASN 181 Ca 0.19 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.41 1qj4 h ASN 181 Cb 0.10 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.36 1qj4 h ASN 181 CO -0.03 0.41 -0.56 0.40 0.07 0.00 0.00 177.43 177.73 1qj4 h ILE 182 N 0.00 1.40 -0.89 6.14 1.08 -1.71 -3.15 117.51 120.38 1qj4 h ILE 182 Ca -0.00 -1.97 0.07 0.00 -0.39 0.00 0.00 64.86 62.57 1qj4 h ILE 182 Cb 0.83 2.43 -0.07 0.00 -3.07 0.00 0.00 36.82 36.94 1qj4 h ILE 182 CO 0.05 0.58 0.55 -0.07 -0.69 0.00 0.00 178.15 178.57 1qj4 h LEU 183 N -0.01 0.85 -2.45 1.44 3.38 -0.78 -2.10 115.31 115.64 1qj4 h LEU 183 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qj4 h LEU 183 Cb 1.24 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1qj4 h LEU 183 CO 0.11 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 1qj4 h ALA 184 N 1.43 1.47 -0.02 1.53 0.00 -1.14 -2.08 119.26 120.46 1qj4 h ALA 184 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1qj4 h ALA 184 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qj4 h ALA 184 CO -0.19 0.01 -0.39 1.63 0.00 0.00 0.00 179.25 180.31 1qj4 n LYS 185 N -3.78 1.43 -2.56 0.00 5.02 -0.84 -4.86 118.16 112.56 1qj4 n LYS 185 Ca -0.03 -1.03 -0.38 0.00 -2.02 0.00 0.00 58.31 54.85 1qj4 n LYS 185 Cb 0.10 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1qj4 n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1qj4 s ARG 186 N -2.26 4.37 0.48 1.97 3.52 -0.78 -4.99 118.95 121.27 1qj4 s ARG 186 Ca 0.18 1.58 -0.21 0.00 -0.13 0.00 0.00 55.73 57.14 1qj4 s ARG 186 Cb 0.17 -2.79 -0.09 0.00 -1.56 0.00 0.00 34.95 30.67 1qj4 s ARG 186 CO 0.50 0.03 0.80 -2.30 -0.81 0.00 0.00 175.30 173.52 1qj4 n PRO 187 N 0.43 0.93 -1.87 5.12 -0.02 -1.26 -4.56 135.00 133.76 1qj4 n PRO 187 Ca 0.03 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 1qj4 n PRO 187 Cb 0.48 -1.88 0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1qj4 n PRO 187 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1qj4 s PHE 188 N -1.45 2.23 0.45 6.00 0.40 -1.26 -4.75 117.98 119.61 1qj4 s PHE 188 Ca 0.67 1.50 -0.25 0.00 -0.60 0.00 0.00 56.93 58.25 1qj4 s PHE 188 Cb -0.52 -3.58 -0.08 0.00 0.51 0.00 0.00 43.02 39.36 1qj4 s PHE 188 CO 0.55 -2.55 1.36 -0.06 0.70 0.00 0.00 175.22 175.21 1qj4 s PHE 189 N -1.52 2.59 0.20 0.36 0.08 -1.26 -4.98 117.98 113.44 1qj4 s PHE 189 Ca 0.80 1.35 -0.07 0.00 0.12 0.00 0.00 56.93 59.13 1qj4 s PHE 189 Cb -0.34 -3.78 -0.06 0.00 -0.57 0.00 0.00 43.02 38.27 1qj4 s PHE 189 CO 0.36 -2.54 0.48 0.95 -0.10 0.00 0.00 175.22 174.37 1qj4 s THR 190 N -1.26 5.04 0.17 0.64 -4.23 -1.26 -4.57 115.64 110.17 1qj4 s THR 190 Ca 0.61 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1qj4 s THR 190 Cb -0.40 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 1qj4 s THR 190 CO 0.51 -0.06 1.51 0.11 -0.54 0.00 0.00 174.62 176.16 1qj4 h LYS 191 N 2.55 0.79 -0.03 3.99 1.57 -1.94 0.51 116.57 124.00 1qj4 h LYS 191 Ca -0.47 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 57.79 1qj4 h LYS 191 Cb 1.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1qj4 h LYS 191 CO 0.70 1.05 -0.46 0.93 -0.57 0.00 0.00 179.45 181.10 1qj4 h GLU 192 N 0.64 0.07 0.00 3.15 3.07 -1.94 -2.35 114.58 117.22 1qj4 h GLU 192 Ca 0.05 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qj4 h GLU 192 Cb 0.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1qj4 h GLU 192 CO 0.09 0.52 0.00 0.41 -1.40 0.00 0.00 179.01 178.63 1qj4 n GLY 193 N -0.17 0.09 0.24 -3.84 0.00 -1.22 -4.35 105.19 95.94 1qj4 n GLY 193 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1qj4 n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qj4 h TYR 194 N 0.00 0.36 0.00 1.61 3.20 -1.55 -1.42 116.97 119.17 1qj4 h TYR 194 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1qj4 h TYR 194 Cb 0.00 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1qj4 h TYR 194 CO 0.00 0.05 -0.01 0.78 -1.64 0.00 0.00 178.16 177.35 1qj4 h GLY 195 N 0.37 0.00 1.74 1.82 0.00 -0.72 -2.73 103.07 103.54 1qj4 h GLY 195 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1qj4 h GLY 195 CO -0.35 0.00 -0.21 1.48 0.00 0.00 0.00 176.54 177.46 1qj4 h SER 196 N 0.00 0.00 -4.07 0.19 4.64 -0.70 -3.47 113.55 110.13 1qj4 h SER 196 Ca -0.00 -0.05 -0.45 0.00 -0.47 0.00 0.00 61.79 60.82 1qj4 h SER 196 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1qj4 h SER 196 CO 0.00 0.03 0.35 0.27 -0.87 0.00 0.00 176.83 176.60 1qj4 s ILE 197 N -3.15 4.34 0.21 0.95 -4.36 -1.03 -5.02 121.20 113.13 1qj4 s ILE 197 Ca 0.08 1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 61.59 1qj4 s ILE 197 Cb 0.11 -3.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.14 1qj4 s ILE 197 CO 0.65 -0.35 1.27 -0.54 0.24 0.00 0.00 174.94 176.22 1qj4 s LYS 198 N -3.27 4.42 -0.11 0.37 -0.14 -1.26 -4.95 119.74 114.79 1qj4 s LYS 198 Ca 0.62 2.01 -0.00 0.00 -1.36 0.00 0.00 55.97 57.24 1qj4 s LYS 198 Cb -0.10 -3.20 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 1qj4 s LYS 198 CO 0.16 -0.19 -0.08 0.15 -0.76 0.00 0.00 175.35 174.63 1qj4 s LYS 199 N -0.33 1.53 -0.19 1.68 1.02 -1.26 -0.88 119.74 121.32 1qj4 s LYS 199 Ca 0.55 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.26 1qj4 s LYS 199 Cb -0.36 -1.59 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1qj4 s LYS 199 CO 0.39 -0.26 -0.11 0.42 -0.92 0.00 0.00 175.35 174.86 1qj4 s ILE 200 N 1.69 2.87 -0.27 2.17 1.09 -0.12 -0.52 121.20 128.11 1qj4 s ILE 200 Ca 0.05 -0.68 -0.07 0.00 -1.10 0.00 0.00 60.65 58.85 1qj4 s ILE 200 Cb -0.13 -2.26 -0.01 0.00 -1.06 0.00 0.00 42.46 39.01 1qj4 s ILE 200 CO -0.08 0.48 0.07 -0.47 -0.10 0.00 0.00 174.94 174.84 1qj4 s TYR 201 N 1.18 3.10 -0.11 3.97 6.14 -0.11 -0.62 117.35 130.90 1qj4 s TYR 201 Ca 0.02 -0.66 0.01 0.00 0.64 0.00 0.00 57.07 57.07 1qj4 s TYR 201 Cb -0.14 -2.24 -0.02 0.00 0.42 0.00 0.00 41.96 39.98 1qj4 s TYR 201 CO -0.04 -0.46 -0.13 0.08 0.64 0.00 0.00 175.55 175.64 1qj4 s VAL 202 N 1.57 3.09 0.22 3.14 1.01 0.66 -0.84 120.40 129.24 1qj4 s VAL 202 Ca 0.05 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1qj4 s VAL 202 Cb -0.16 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1qj4 s VAL 202 CO 0.03 0.54 0.57 -1.66 0.00 0.00 0.00 175.10 174.58 1qj4 s TRP 203 N 0.11 -0.12 -0.00 5.22 1.48 -0.75 -1.00 118.94 123.87 1qj4 s TRP 203 Ca -0.06 -0.24 0.05 0.00 -1.06 0.00 0.00 56.10 54.80 1qj4 s TRP 203 Cb -0.15 0.46 -0.02 0.00 -1.16 0.00 0.00 33.47 32.61 1qj4 s TRP 203 CO 0.05 -1.00 -0.17 -0.08 -4.06 0.00 0.00 176.95 171.69 1qj4 s THR 204 N -3.89 1.36 -2.00 0.66 -1.32 -1.26 -0.32 115.64 108.87 1qj4 s THR 204 Ca 0.10 -0.80 0.15 0.00 -1.21 0.00 0.00 61.69 59.93 1qj4 s THR 204 Cb -0.02 -1.15 0.42 0.00 -1.51 0.00 0.00 72.50 70.24 1qj4 s THR 204 CO -0.00 0.33 1.55 -0.90 -2.21 0.00 0.00 174.62 173.39 1qj4 n ASP 205 N 2.50 0.00 -1.31 8.08 5.68 -1.26 -2.75 116.55 127.50 1qj4 n ASP 205 Ca -0.15 -1.48 0.12 0.00 -0.50 0.00 0.00 54.79 52.78 1qj4 n ASP 205 Cb 0.54 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.82 1qj4 n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qj4 n GLN 206 N -0.74 2.68 -2.01 0.11 1.13 -1.26 -4.68 117.38 112.62 1qj4 n GLN 206 Ca 0.11 -2.58 -0.42 0.00 -1.94 0.00 0.00 57.00 52.17 1qj4 n GLN 206 Cb 0.05 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 1qj4 n GLN 206 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1qj4 s ASP 207 N -1.11 6.67 0.00 1.08 -1.08 -1.11 -4.64 116.67 116.48 1qj4 s ASP 207 Ca 0.47 2.33 0.21 0.00 -0.52 0.00 0.00 52.55 55.04 1qj4 s ASP 207 Cb 0.25 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.79 1qj4 s ASP 207 CO 0.33 -0.87 1.49 -0.62 0.52 0.00 0.00 175.17 176.02 1qj4 n GLU 208 N 6.08 1.96 0.02 4.34 -0.58 -1.26 -4.11 120.64 127.10 1qj4 n GLU 208 Ca 0.16 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.45 1qj4 n GLU 208 Cb 0.42 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1qj4 n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1qj4 n ILE 209 N 0.68 0.31 -2.69 -3.67 3.06 -1.24 -4.82 119.36 110.99 1qj4 n ILE 209 Ca 0.17 0.10 -0.43 0.00 -2.50 0.00 0.00 62.75 60.09 1qj4 n ILE 209 Cb 0.41 -1.31 0.00 0.00 0.54 0.00 0.00 39.64 39.28 1qj4 n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1qj4 n PHE 210 N -3.08 4.60 -1.10 9.51 3.01 -1.26 -4.82 117.46 124.32 1qj4 n PHE 210 Ca 0.00 -3.10 -0.31 0.00 1.01 0.00 0.00 57.45 55.05 1qj4 n PHE 210 Cb 0.27 -2.35 0.12 0.00 -0.01 0.00 0.00 39.48 37.50 1qj4 n PHE 210 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qj4 s LEU 211 N 2.41 2.86 0.28 4.37 1.43 -1.26 -4.63 118.68 124.14 1qj4 s LEU 211 Ca 0.47 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 1qj4 s LEU 211 Cb 0.02 -4.45 0.54 0.00 0.03 0.00 0.00 46.19 42.33 1qj4 s LEU 211 CO 0.03 -2.41 1.83 -0.65 0.23 0.00 0.00 176.35 175.37 1qj4 h PRO 212 N -1.39 0.94 -0.87 1.29 0.11 -1.83 -0.03 132.00 130.21 1qj4 h PRO 212 Ca -0.44 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1qj4 h PRO 212 Cb 1.25 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1qj4 h PRO 212 CO 0.49 0.62 0.53 1.49 -0.21 0.00 0.00 178.00 180.93 1qj4 h GLU 213 N 0.96 0.93 -0.05 1.05 4.81 -1.99 0.43 114.58 120.73 1qj4 h GLU 213 Ca 0.49 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1qj4 h GLU 213 Cb 0.48 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1qj4 h GLU 213 CO -0.27 0.62 -0.04 0.35 -0.73 0.00 0.00 179.01 178.94 1qj4 h PHE 214 N 0.96 0.15 -0.60 0.92 3.57 -1.39 -1.85 116.94 118.71 1qj4 h PHE 214 Ca 0.38 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1qj4 h PHE 214 Cb 0.21 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1qj4 h PHE 214 CO -0.03 0.56 -0.00 1.96 -2.23 0.00 0.00 178.31 178.56 1qj4 h GLN 215 N -0.30 1.07 -0.15 1.11 4.20 -0.97 -0.74 115.11 119.32 1qj4 h GLN 215 Ca 0.01 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.28 1qj4 h GLN 215 Cb 0.53 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1qj4 h GLN 215 CO 0.01 1.04 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.79 1qj4 h LEU 216 N 0.96 0.32 -0.64 1.46 3.38 -1.00 -1.88 115.31 117.91 1qj4 h LEU 216 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qj4 h LEU 216 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1qj4 h LEU 216 CO 0.03 0.66 0.36 -0.25 0.09 0.00 0.00 178.44 179.33 1qj4 h TRP 217 N 0.26 0.86 -0.67 1.13 7.01 -0.95 -2.17 115.95 121.43 1qj4 h TRP 217 Ca 0.03 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1qj4 h TRP 217 Cb 0.76 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1qj4 h TRP 217 CO 0.02 0.61 0.24 1.96 -2.79 0.00 0.00 178.44 178.47 1qj4 h GLN 218 N 0.87 1.01 -0.59 2.65 4.20 -0.63 -0.28 115.11 122.34 1qj4 h GLN 218 Ca 0.23 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1qj4 h GLN 218 Cb 0.02 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1qj4 h GLN 218 CO -0.04 0.86 0.30 0.82 -0.67 0.00 0.00 178.83 180.10 1qj4 h ILE 219 N 0.95 1.20 -0.22 2.54 2.04 -1.27 -2.00 117.51 120.76 1qj4 h ILE 219 Ca 0.22 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 1qj4 h ILE 219 Cb 0.25 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1qj4 h ILE 219 CO -0.01 0.23 -0.42 -0.08 0.00 0.00 0.00 178.15 177.86 1qj4 h GLU 220 N 0.81 0.52 -0.47 2.37 4.22 -1.22 -3.24 114.58 117.57 1qj4 h GLU 220 Ca 0.21 -0.27 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1qj4 h GLU 220 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1qj4 h GLU 220 CO -0.03 0.85 -0.06 -0.97 -2.18 0.00 0.00 179.01 176.62 1qj4 h ASN 221 N 0.42 0.80 -1.95 1.04 -1.24 -0.64 -3.40 115.58 110.62 1qj4 h ASN 221 Ca 0.03 -0.22 -0.33 0.00 0.71 0.00 0.00 56.30 56.49 1qj4 h ASN 221 Cb 0.91 -0.22 -0.31 0.00 0.73 0.00 0.00 38.32 39.44 1qj4 h ASN 221 CO 0.08 0.91 -0.65 -0.47 -1.29 0.00 0.00 177.43 176.01 1qj4 s TYR 222 N -4.88 -0.47 -0.06 0.67 5.04 -0.79 -5.09 117.35 111.77 1qj4 s TYR 222 Ca -0.10 -0.47 -0.29 0.00 -2.44 0.00 0.00 57.07 53.77 1qj4 s TYR 222 Cb 0.14 -0.37 -0.07 0.00 0.35 0.00 0.00 41.96 42.01 1qj4 s TYR 222 CO 0.82 -0.97 1.92 0.15 -1.34 0.00 0.00 175.55 176.13 1qj4 s LYS 223 N 1.84 3.92 0.78 4.97 3.01 -1.23 -4.64 119.74 128.40 1qj4 s LYS 223 Ca 0.14 2.32 -0.11 0.00 -1.01 0.00 0.00 55.97 57.30 1qj4 s LYS 223 Cb -0.14 -4.16 0.07 0.00 -1.01 0.00 0.00 37.83 32.59 1qj4 s LYS 223 CO -0.15 -1.19 1.11 -2.14 0.51 0.00 0.00 175.35 173.49 1qj4 s PRO 224 N 4.76 2.08 0.38 -1.68 0.02 -1.26 -4.94 135.00 134.36 1qj4 s PRO 224 Ca 0.86 1.29 0.10 0.00 0.02 0.00 0.00 61.00 63.27 1qj4 s PRO 224 Cb -0.37 -1.87 0.74 0.00 0.02 0.00 0.00 34.50 33.02 1qj4 s PRO 224 CO 0.37 -1.79 1.87 -0.44 -0.33 0.00 0.00 177.00 176.68 1qj4 h ASP 225 N -1.10 0.17 -4.16 2.53 3.32 -1.18 -3.45 116.42 112.55 1qj4 h ASP 225 Ca -0.44 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1qj4 h ASP 225 Cb 1.24 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 1qj4 h ASP 225 CO 0.50 0.40 -0.10 -0.75 -1.72 0.00 0.00 179.24 177.57 1qj4 s LYS 226 N -4.54 0.66 -0.08 3.56 2.47 -1.18 -5.03 119.74 115.60 1qj4 s LYS 226 Ca -0.05 0.57 0.05 0.00 -1.56 0.00 0.00 55.97 54.98 1qj4 s LYS 226 Cb 0.15 0.32 -0.00 0.00 -1.46 0.00 0.00 37.83 36.83 1qj4 s LYS 226 CO 0.73 -0.11 -0.24 0.08 0.16 0.00 0.00 175.35 175.97 1qj4 s VAL 227 N -0.06 2.02 -0.15 4.02 1.01 -1.26 -0.94 120.40 125.04 1qj4 s VAL 227 Ca -0.03 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1qj4 s VAL 227 Cb -0.03 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1qj4 s VAL 227 CO 0.02 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.18 1qj4 s TYR 228 N 0.18 2.74 -0.26 5.22 1.51 -0.02 -4.96 117.35 121.76 1qj4 s TYR 228 Ca -0.14 -1.24 -0.09 0.00 -1.01 0.00 0.00 57.07 54.60 1qj4 s TYR 228 Cb -0.16 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1qj4 s TYR 228 CO 0.07 -0.58 0.11 0.21 -1.11 0.00 0.00 175.55 174.25 1qj4 s LYS 229 N 0.90 3.76 -0.15 -0.62 2.20 -1.26 -1.81 119.74 122.76 1qj4 s LYS 229 Ca -0.04 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 54.96 1qj4 s LYS 229 Cb -0.15 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1qj4 s LYS 229 CO -0.03 -0.18 0.48 0.08 -0.36 0.00 0.00 175.35 175.34 1qj4 s VAL 230 N 1.65 5.17 0.11 4.02 1.01 0.56 -4.97 120.40 127.96 1qj4 s VAL 230 Ca 0.07 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1qj4 s VAL 230 Cb -0.15 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1qj4 s VAL 230 CO 0.06 0.28 0.93 -1.61 0.00 0.00 0.00 175.10 174.76 1qj4 s GLU 231 N 0.94 4.68 2.66 2.72 0.41 -1.26 -4.30 118.70 124.54 1qj4 s GLU 231 Ca 0.25 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.21 1qj4 s GLU 231 Cb -0.15 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 1qj4 s GLU 231 CO 0.10 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 1qj4 n GLY 232 N 2.20 -0.55 7.00 -1.39 0.00 -1.26 -5.04 105.19 106.15 1qj4 n GLY 232 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1qj4 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qj4 n GLY 233 N 0.00 -0.33 0.00 -0.02 0.00 -1.26 -4.62 105.19 98.96 1qj4 n GLY 233 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1qj4 n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qj4 n ASP 234 N -1.49 0.00 -0.01 1.61 5.68 -1.26 -4.73 116.55 116.36 1qj4 n ASP 234 Ca 0.00 -0.86 0.09 0.00 -0.50 0.00 0.00 54.79 53.52 1qj4 n ASP 234 Cb 0.00 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.47 1qj4 n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1qj4 h HIS 235 N 0.86 0.41 -1.79 2.11 -0.00 -1.82 -3.12 115.15 111.79 1qj4 h HIS 235 Ca 0.00 0.01 -0.77 0.00 -0.00 0.00 0.00 60.37 59.61 1qj4 h HIS 235 Cb 0.00 -0.13 -0.19 0.00 -0.00 0.00 0.00 27.41 27.09 1qj4 h HIS 235 CO 0.00 0.22 1.71 1.63 -0.00 0.00 0.00 177.93 181.49 1qj4 n LYS 236 N -4.48 4.15 0.27 5.26 4.76 -1.21 -4.80 118.16 122.13 1qj4 n LYS 236 Ca 0.06 -3.86 0.13 0.00 -2.87 0.00 0.00 58.31 51.76 1qj4 n LYS 236 Cb 0.22 -2.73 0.80 0.00 -1.84 0.00 0.00 35.03 31.48 1qj4 n LYS 236 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1qj4 h LEU 237 N 6.56 0.00 0.00 -0.35 3.38 -1.92 0.39 115.31 123.36 1qj4 h LEU 237 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1qj4 h LEU 237 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qj4 h LEU 237 CO 1.50 0.00 0.00 0.00 0.09 0.00 0.00 178.44 180.03 1qj4 n GLN 238 N -4.12 0.03 -0.11 1.13 0.00 -1.26 -0.55 117.38 112.50 1qj4 n GLN 238 Ca -0.03 0.19 -0.19 0.00 0.00 0.00 0.00 57.00 56.98 1qj4 n GLN 238 Cb 0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.75 1qj4 n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1qj4 n LEU 239 N -1.47 2.38 0.08 2.61 4.77 0.03 -4.22 117.00 121.18 1qj4 n LEU 239 Ca 0.05 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1qj4 n LEU 239 Cb 0.19 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1qj4 n LEU 239 CO 0.16 0.69 -0.11 0.35 -1.33 0.00 0.00 177.39 177.15 1qj4 n THR 240 N -3.52 0.58 -2.71 -5.08 -2.24 -0.65 -4.38 114.28 96.28 1qj4 n THR 240 Ca -0.41 -0.55 -0.05 0.00 -2.27 0.00 0.00 64.05 60.76 1qj4 n THR 240 Cb 0.87 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1qj4 n THR 240 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qj4 n LYS 241 N -2.63 1.82 -0.14 -0.78 4.76 0.29 -4.83 118.16 116.65 1qj4 n LYS 241 Ca -0.01 -3.54 -0.06 0.00 -2.87 0.00 0.00 58.31 51.82 1qj4 n LYS 241 Cb 0.58 -1.61 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1qj4 n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1qj4 h THR 242 N 4.56 1.00 -0.56 -0.18 2.02 -1.71 -0.80 112.91 117.25 1qj4 h THR 242 Ca -0.07 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1qj4 h THR 242 Cb 1.26 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1qj4 h THR 242 CO 0.33 0.09 0.31 0.11 0.37 0.00 0.00 175.52 176.73 1qj4 h LYS 243 N 0.47 0.77 -0.70 6.66 1.57 -1.93 -1.04 116.57 122.38 1qj4 h LYS 243 Ca 0.18 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1qj4 h LYS 243 Cb 0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1qj4 h LYS 243 CO -0.11 0.59 0.28 0.93 -0.57 0.00 0.00 179.45 180.57 1qj4 h GLU 244 N 0.75 1.05 -0.45 3.15 3.07 -1.75 -1.04 114.58 119.36 1qj4 h GLU 244 Ca 0.20 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1qj4 h GLU 244 Cb 0.03 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 1qj4 h GLU 244 CO -0.03 0.87 0.23 0.82 -1.40 0.00 0.00 179.01 179.50 1qj4 h ILE 245 N 1.00 1.17 -0.95 3.13 1.08 -0.87 -1.82 117.51 120.25 1qj4 h ILE 245 Ca 0.23 -0.45 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1qj4 h ILE 245 Cb 0.21 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1qj4 h ILE 245 CO -0.02 0.18 0.62 0.00 -0.69 0.00 0.00 178.15 178.25 1qj4 h ALA 246 N 1.08 1.24 -0.66 1.87 0.00 -0.91 -0.08 119.26 121.82 1qj4 h ALA 246 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1qj4 h ALA 246 Cb 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1qj4 h ALA 246 CO -0.02 0.54 0.23 1.49 0.00 0.00 0.00 179.25 181.48 1qj4 h GLU 247 N 1.23 1.00 -0.24 0.00 4.81 -0.91 -0.60 114.58 119.87 1qj4 h GLU 247 Ca 0.37 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1qj4 h GLU 247 Cb -0.05 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1qj4 h GLU 247 CO -0.11 0.86 0.12 0.82 -0.73 0.00 0.00 179.01 179.97 1qj4 h ILE 248 N 0.94 1.13 -0.43 2.32 2.04 -0.96 -2.34 117.51 120.21 1qj4 h ILE 248 Ca 0.21 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1qj4 h ILE 248 Cb 0.26 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1qj4 h ILE 248 CO -0.01 0.13 0.10 -0.07 0.00 0.00 0.00 178.15 178.30 1qj4 h LEU 249 N 0.26 0.59 -0.51 1.44 3.38 -0.73 -0.54 115.31 119.21 1qj4 h LEU 249 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1qj4 h LEU 249 Cb 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1qj4 h LEU 249 CO -0.01 0.59 0.29 -0.61 0.09 0.00 0.00 178.44 178.80 1qj4 h GLN 250 N 0.63 0.57 -0.77 1.13 5.75 -0.94 -0.20 115.11 121.27 1qj4 h GLN 250 Ca 0.14 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1qj4 h GLN 250 Cb 0.24 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1qj4 h GLN 250 CO -0.00 0.38 0.39 1.49 -2.65 0.00 0.00 178.83 178.44 1qj4 h GLU 251 N 0.59 1.10 -0.58 1.69 4.81 -0.74 -1.39 114.58 120.05 1qj4 h GLU 251 Ca 0.21 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1qj4 h GLU 251 Cb 0.04 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1qj4 h GLU 251 CO -0.10 0.84 0.37 0.28 -0.73 0.00 0.00 179.01 179.67 1qj4 h VAL 252 N 1.08 1.12 -0.37 0.32 2.07 -0.73 -1.81 116.25 117.92 1qj4 h VAL 252 Ca 0.27 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1qj4 h VAL 252 Cb 0.08 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1qj4 h VAL 252 CO -0.04 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.87 1qj4 h ALA 253 N 1.23 1.62 0.00 1.67 0.00 -0.58 -1.12 119.26 122.07 1qj4 h ALA 253 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qj4 h ALA 253 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1qj4 h ALA 253 CO -0.06 0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 1qj4 n ASP 254 N -4.42 0.41 -0.10 0.00 8.00 -0.57 -4.19 116.55 115.69 1qj4 n ASP 254 Ca 0.02 0.54 -0.13 0.00 0.71 0.00 0.00 54.79 55.94 1qj4 n ASP 254 Cb 0.12 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 1qj4 n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1qj4 n THR 255 N -1.89 1.15 -4.55 -3.53 -1.04 -0.59 -4.99 114.28 98.84 1qj4 n THR 255 Ca 0.06 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.05 61.28 1qj4 n THR 255 Cb 0.37 -1.10 -0.17 0.00 -1.82 0.00 0.00 70.33 67.61 1qj4 n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1qj4 s TYR 256 N -2.40 2.19 0.00 -1.42 2.02 -0.53 -5.10 117.35 112.11 1qj4 s TYR 256 Ca -0.24 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.42 1qj4 s TYR 256 Cb 0.07 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1qj4 s TYR 256 CO 0.50 -0.51 0.00 0.27 -1.57 0.00 0.00 175.55 174.25