#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqj s ASN 4 N 0.00 5.64 0.17 4.39 0.01 -1.26 -4.98 114.94 118.91 1tqj s ASN 4 Ca 0.00 1.75 -0.31 0.00 -0.71 0.00 0.00 52.86 53.60 1tqj s ASN 4 Cb 0.00 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1tqj s ASN 4 CO 0.00 -1.26 1.39 -0.63 -1.51 0.00 0.00 177.10 175.09 1tqj s ILE 5 N -2.64 3.07 -0.08 0.60 1.01 -1.26 -4.92 121.20 116.98 1tqj s ILE 5 Ca 0.62 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 62.08 1tqj s ILE 5 Cb -0.15 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1tqj s ILE 5 CO 0.43 0.10 -0.01 -0.69 0.00 0.00 0.00 174.94 174.77 1tqj s VAL 6 N 0.56 4.22 -0.15 2.92 1.01 -0.26 -5.02 120.40 123.68 1tqj s VAL 6 Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1tqj s VAL 6 Cb -0.38 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1tqj s VAL 6 CO 0.36 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 175.20 1tqj s VAL 7 N -0.90 2.72 -0.51 2.92 1.01 -1.26 -1.17 120.40 123.21 1tqj s VAL 7 Ca 0.14 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1tqj s VAL 7 Cb -0.11 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.26 1tqj s VAL 7 CO 0.03 0.51 0.29 0.00 0.00 0.00 0.00 175.10 175.93 1tqj s ALA 8 N 0.79 2.90 0.46 5.51 0.00 0.53 -1.46 121.76 130.48 1tqj s ALA 8 Ca -0.05 -3.09 -0.25 0.00 0.00 0.00 0.00 51.96 48.57 1tqj s ALA 8 Cb -0.15 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1tqj s ALA 8 CO 0.00 -2.05 1.40 -2.14 0.00 0.00 0.00 175.76 172.98 1tqj s PRO 9 N -0.23 3.62 -0.39 0.00 0.02 -1.23 -3.42 135.00 133.38 1tqj s PRO 9 Ca 0.19 2.36 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 1tqj s PRO 9 Cb -0.21 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.72 1tqj s PRO 9 CO -0.03 -0.85 0.56 0.45 -0.33 0.00 0.00 177.00 176.80 1tqj s SER 10 N -0.60 6.32 0.43 2.53 0.15 0.26 -1.29 113.70 121.49 1tqj s SER 10 Ca 0.62 -0.17 0.30 0.00 0.70 0.00 0.00 55.95 57.40 1tqj s SER 10 Cb -0.43 -2.29 1.39 0.00 -1.71 0.00 0.00 66.02 62.99 1tqj s SER 10 CO 0.54 -0.60 1.90 -0.29 1.20 0.00 0.00 173.24 175.99 1tqj h ILE 11 N 5.72 0.00 0.00 6.45 6.09 -1.57 -1.75 117.51 132.45 1tqj h ILE 11 Ca -0.27 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1tqj h ILE 11 Cb 1.11 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1tqj h ILE 11 CO 0.82 0.00 0.00 -0.07 -3.07 0.00 0.00 178.15 175.83 1tqj h LEU 12 N 0.00 0.00 -0.30 2.19 3.38 -1.92 -1.03 115.31 117.64 1tqj h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tqj h LEU 12 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1tqj h LEU 12 CO 0.00 0.00 -0.15 -1.20 0.09 0.00 0.00 178.44 177.18 1tqj n SER 13 N -3.06 0.61 -4.93 -0.43 7.64 -0.66 -4.95 113.62 107.85 1tqj n SER 13 Ca -0.02 -0.63 -0.25 0.00 1.01 0.00 0.00 58.87 58.97 1tqj n SER 13 Cb 0.12 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1tqj n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tqj s ALA 14 N -2.50 3.32 -0.71 -0.43 0.00 -0.39 -4.75 121.76 116.30 1tqj s ALA 14 Ca 0.27 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.06 1tqj s ALA 14 Cb 0.20 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.82 1tqj s ALA 14 CO 0.49 -1.03 1.43 0.34 0.00 0.00 0.00 175.76 177.00 1tqj s ASP 15 N -4.42 5.94 0.00 0.00 3.68 -1.26 -4.89 116.67 115.71 1tqj s ASP 15 Ca 0.57 -0.26 0.16 0.00 2.13 0.00 0.00 52.55 55.15 1tqj s ASP 15 Cb -0.11 -2.55 0.73 0.00 -1.45 0.00 0.00 42.92 39.54 1tqj s ASP 15 CO 0.44 -1.98 1.51 0.49 0.13 0.00 0.00 175.17 175.76 1tqj n PHE 16 N 10.24 0.00 0.25 -5.34 3.01 -1.26 -1.73 117.46 122.63 1tqj n PHE 16 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.67 1tqj n PHE 16 Cb 0.50 -0.45 0.49 0.00 -0.01 0.00 0.00 39.48 40.01 1tqj n PHE 16 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1tqj h SER 17 N 0.00 0.00 -1.76 4.37 4.64 -2.04 -3.34 113.55 115.42 1tqj h SER 17 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1tqj h SER 17 Cb 0.25 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.94 1tqj h SER 17 CO 0.00 0.08 -1.17 0.54 -0.87 0.00 0.00 176.83 175.41 1tqj n ARG 18 N -3.18 1.15 -0.24 4.77 1.74 -0.70 -4.97 116.66 115.23 1tqj n ARG 18 Ca 0.01 -3.43 -0.08 0.00 -0.77 0.00 0.00 57.85 53.59 1tqj n ARG 18 Cb 0.40 -1.63 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1tqj n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1tqj h LEU 19 N 2.99 1.07 -0.53 0.55 5.85 -1.68 -1.39 115.31 122.17 1tqj h LEU 19 Ca 0.06 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1tqj h LEU 19 Cb 1.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1tqj h LEU 19 CO 0.52 1.05 0.27 1.23 -0.34 0.00 0.00 178.44 181.16 1tqj h GLY 20 N 1.06 0.80 0.87 3.75 0.00 -1.93 -0.48 103.07 107.15 1tqj h GLY 20 Ca 0.21 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1tqj h GLY 20 CO 0.01 0.37 0.58 0.83 0.00 0.00 0.00 176.54 178.32 1tqj h GLU 21 N 0.71 1.08 -0.57 4.80 5.08 -1.88 -2.23 114.58 121.57 1tqj h GLU 21 Ca 0.18 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1tqj h GLU 21 Cb 0.09 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1tqj h GLU 21 CO -0.03 0.72 0.01 0.93 -1.00 0.00 0.00 179.01 179.64 1tqj h GLU 22 N 1.11 0.99 -0.11 2.33 4.39 -0.80 -1.21 114.58 121.29 1tqj h GLU 22 Ca 0.36 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1tqj h GLU 22 Cb 0.01 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1tqj h GLU 22 CO -0.12 0.99 0.03 0.82 -1.16 0.00 0.00 179.01 179.56 1tqj h ILE 23 N 0.88 1.20 -0.48 3.13 1.08 -0.87 -1.58 117.51 120.85 1tqj h ILE 23 Ca 0.16 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1tqj h ILE 23 Cb 0.53 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1tqj h ILE 23 CO 0.03 0.18 0.28 0.11 -0.69 0.00 0.00 178.15 178.05 1tqj h LYS 24 N -0.03 0.67 -0.41 2.37 1.57 -1.39 -1.12 116.57 118.22 1tqj h LYS 24 Ca 0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1tqj h LYS 24 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1tqj h LYS 24 CO 0.00 0.50 0.23 0.00 -0.57 0.00 0.00 179.45 179.62 1tqj h ALA 25 N 1.13 0.53 -0.00 3.86 0.00 -1.14 -0.38 119.26 123.25 1tqj h ALA 25 Ca 0.17 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1tqj h ALA 25 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1tqj h ALA 25 CO -0.03 0.05 -0.83 -0.24 0.00 0.00 0.00 179.25 178.19 1tqj h VAL 26 N 0.54 1.50 0.37 0.00 3.04 -1.14 -0.22 116.25 120.34 1tqj h VAL 26 Ca 0.15 -2.57 -0.02 0.00 -1.01 0.00 0.00 66.70 63.25 1tqj h VAL 26 Cb 0.04 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1tqj h VAL 26 CO -0.02 0.75 -0.18 -0.78 -1.01 0.00 0.00 177.57 176.32 1tqj h ASP 27 N 0.10 -0.43 0.22 3.17 1.82 -1.06 -2.35 116.42 117.89 1tqj h ASP 27 Ca -0.03 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1tqj h ASP 27 Cb 1.44 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.56 1tqj h ASP 27 CO 0.12 -0.23 -0.22 -0.33 -1.61 0.00 0.00 179.24 176.97 1tqj h GLU 28 N -0.60 0.01 0.00 0.28 5.08 -0.94 -1.11 114.58 117.31 1tqj h GLU 28 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1tqj h GLU 28 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1tqj h GLU 28 CO 0.08 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1tqj n ALA 29 N -2.50 2.05 0.00 3.43 0.00 -0.10 -4.87 120.51 118.51 1tqj n ALA 29 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tqj n ALA 29 Cb 0.28 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1tqj n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tqj n GLY 30 N 0.41 1.33 3.77 0.00 0.00 -0.42 -4.24 105.19 106.05 1tqj n GLY 30 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1tqj n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 31 N -2.00 3.56 -0.07 4.61 0.00 -0.90 -4.89 121.76 122.08 1tqj s ALA 31 Ca 0.00 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.20 1tqj s ALA 31 Cb 0.00 -3.56 -0.30 0.00 0.00 0.00 0.00 23.12 19.26 1tqj s ALA 31 CO 0.00 -0.88 0.78 -0.44 0.00 0.00 0.00 175.76 175.22 1tqj h ASP 32 N 3.40 0.44 -4.17 0.00 3.32 -1.61 -3.45 116.42 114.36 1tqj h ASP 32 Ca -0.50 -0.92 -0.31 0.00 0.02 0.00 0.00 57.03 55.33 1tqj h ASP 32 Cb 1.23 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 1tqj h ASP 32 CO 0.67 1.47 -0.70 0.26 -1.72 0.00 0.00 179.24 179.22 1tqj s TRP 33 N -2.45 1.21 -0.23 4.55 0.51 -1.13 -3.68 118.94 117.73 1tqj s TRP 33 Ca -0.16 -0.85 -0.05 0.00 -2.12 0.00 0.00 56.10 52.92 1tqj s TRP 33 Cb 0.02 -0.66 -0.02 0.00 -0.81 0.00 0.00 33.47 32.01 1tqj s TRP 33 CO 0.81 -0.03 -0.00 0.42 -0.51 0.00 0.00 176.95 177.64 1tqj s ILE 34 N -3.45 3.71 -0.15 2.03 -1.09 -0.17 -3.50 121.20 118.58 1tqj s ILE 34 Ca 0.18 -0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 58.10 1tqj s ILE 34 Cb 0.04 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1tqj s ILE 34 CO 0.01 0.39 0.26 -2.28 -1.23 0.00 0.00 174.94 172.09 1tqj s HIS 35 N 1.52 3.48 -0.19 3.97 5.65 -0.42 -0.86 115.29 128.44 1tqj s HIS 35 Ca 0.06 0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.94 1tqj s HIS 35 Cb -0.15 -2.28 0.05 0.00 -1.18 0.00 0.00 32.58 29.03 1tqj s HIS 35 CO -0.01 0.31 -0.06 0.08 -0.65 0.00 0.00 174.74 174.41 1tqj s VAL 36 N 0.22 1.33 -0.36 0.89 1.01 0.38 -1.39 120.40 122.48 1tqj s VAL 36 Ca 0.15 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1tqj s VAL 36 Cb -0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1tqj s VAL 36 CO 0.04 0.06 0.37 -1.81 0.00 0.00 0.00 175.10 173.75 1tqj s ASP 37 N 1.52 6.17 -0.27 3.32 1.01 -1.26 -0.88 116.67 126.28 1tqj s ASP 37 Ca -0.02 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 52.80 1tqj s ASP 37 Cb -0.17 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1tqj s ASP 37 CO -0.07 -0.38 0.21 -0.69 0.21 0.00 0.00 175.17 174.45 1tqj s VAL 38 N 2.01 5.30 -0.05 -1.27 1.01 -0.21 -4.45 120.40 122.75 1tqj s VAL 38 Ca 0.11 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1tqj s VAL 38 Cb -0.17 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1tqj s VAL 38 CO 0.12 0.25 -0.11 -0.04 0.00 0.00 0.00 175.10 175.33 1tqj s MET 39 N 1.68 1.33 0.00 2.72 -1.94 -1.26 -0.16 119.30 121.67 1tqj s MET 39 Ca 0.08 -0.36 0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1tqj s MET 39 Cb -0.16 -1.17 0.31 0.00 2.01 0.00 0.00 34.83 35.83 1tqj s MET 39 CO 0.10 0.07 1.27 -0.40 -0.01 0.00 0.00 175.02 176.04 1tqj n ASP 40 N 3.57 3.07 0.00 3.03 5.75 -1.23 -1.67 116.55 129.08 1tqj n ASP 40 Ca -0.21 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1tqj n ASP 40 Cb 0.53 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1tqj n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tqj n GLY 41 N 1.22 0.69 0.61 6.12 0.00 -0.08 -4.81 105.19 108.94 1tqj n GLY 41 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1tqj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tqj n ARG 42 N -2.06 0.20 -0.15 1.61 5.12 -1.26 -4.58 116.66 115.54 1tqj n ARG 42 Ca 0.00 0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 55.99 1tqj n ARG 42 Cb 0.03 -0.80 0.24 0.00 -1.16 0.00 0.00 32.46 30.77 1tqj n ARG 42 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1tqj h PHE 43 N -0.37 0.85 -3.81 -1.55 3.57 -1.87 -3.43 116.94 110.32 1tqj h PHE 43 Ca 0.00 -0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.18 1tqj h PHE 43 Cb 0.37 -0.27 -0.18 0.00 2.79 0.00 0.00 35.95 38.66 1tqj h PHE 43 CO -0.16 0.62 -0.73 0.14 -2.23 0.00 0.00 178.31 175.95 1tqj s VAL 44 N -5.50 0.81 -0.23 1.41 -7.23 -1.26 -5.01 120.40 103.40 1tqj s VAL 44 Ca -0.10 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1tqj s VAL 44 Cb 0.17 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1tqj s VAL 44 CO 0.78 -0.57 2.87 -0.81 -0.31 0.00 0.00 175.10 177.07 1tqj n PRO 45 N 0.67 2.02 -3.72 4.82 -0.04 -1.26 -3.01 135.00 134.48 1tqj n PRO 45 Ca -0.17 -1.51 -0.13 0.00 -0.04 0.00 0.00 63.50 61.65 1tqj n PRO 45 Cb 0.57 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1tqj n PRO 45 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tqj s ASN 46 N 1.07 -0.24 -0.16 3.54 2.47 -1.26 -4.96 114.94 115.41 1tqj s ASN 46 Ca 0.51 0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.84 1tqj s ASN 46 Cb 0.30 0.37 -0.01 0.00 -1.45 0.00 0.00 41.25 40.46 1tqj s ASN 46 CO -0.09 -0.55 -0.12 -0.63 -3.72 0.00 0.00 177.10 171.99 1tqj s ILE 47 N -1.87 3.01 0.00 -5.21 1.01 -1.26 -0.90 121.20 115.98 1tqj s ILE 47 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1tqj s ILE 47 Cb -0.03 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1tqj s ILE 47 CO 0.01 0.50 0.00 0.35 0.00 0.00 0.00 174.94 175.81 1tqj n THR 48 N 3.93 0.00 -3.72 2.92 -2.24 -0.67 -4.95 114.28 109.55 1tqj n THR 48 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1tqj n THR 48 Cb 0.52 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1tqj n THR 48 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1tqj s ILE 49 N 0.03 0.02 0.00 2.28 -4.36 -1.26 -4.96 121.20 112.95 1tqj s ILE 49 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.21 1tqj s ILE 49 Cb 0.00 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 43.08 1tqj s ILE 49 CO 0.00 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1tqj n GLY 50 N 2.09 4.49 0.41 6.27 0.00 -1.26 -4.46 105.19 112.73 1tqj n GLY 50 Ca -0.17 -2.06 0.20 0.00 0.00 0.00 0.00 46.02 44.00 1tqj n GLY 50 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tqj h PRO 51 N 0.00 0.28 -0.40 1.61 0.11 -1.99 -2.22 132.00 129.40 1tqj h PRO 51 Ca 0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1tqj h PRO 51 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1tqj h PRO 51 CO 0.00 0.19 0.26 -0.07 -0.21 0.00 0.00 178.00 178.17 1tqj h LEU 52 N 0.29 0.41 -0.32 2.35 4.07 -1.97 0.39 115.31 120.53 1tqj h LEU 52 Ca 0.42 -0.01 -0.19 0.00 0.08 0.00 0.00 57.88 58.18 1tqj h LEU 52 Cb 1.18 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1tqj h LEU 52 CO -0.11 0.29 -0.60 0.40 -1.08 0.00 0.00 178.44 177.34 1tqj h ILE 53 N 0.49 1.29 -0.82 1.22 1.08 -1.78 -1.88 117.51 117.10 1tqj h ILE 53 Ca 0.15 -1.80 -0.02 0.00 -0.39 0.00 0.00 64.86 62.80 1tqj h ILE 53 Cb 0.02 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1tqj h ILE 53 CO -0.04 0.58 0.43 0.58 -0.69 0.00 0.00 178.15 179.01 1tqj h VAL 54 N 0.59 1.25 -0.93 1.67 2.07 -1.32 -1.67 116.25 117.91 1tqj h VAL 54 Ca -0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1tqj h VAL 54 Cb 1.20 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1tqj h VAL 54 CO 0.13 0.28 0.55 0.44 0.02 0.00 0.00 177.57 178.99 1tqj h ASP 55 N 1.15 1.12 -0.20 0.57 3.32 -0.88 -0.87 116.42 120.64 1tqj h ASP 55 Ca 0.29 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1tqj h ASP 55 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1tqj h ASP 55 CO -0.04 0.87 -0.24 0.00 -1.72 0.00 0.00 179.24 178.10 1tqj h ALA 56 N 1.30 0.95 0.04 3.45 0.00 -0.82 -3.20 119.26 120.97 1tqj h ALA 56 Ca 0.33 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1tqj h ALA 56 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1tqj h ALA 56 CO -0.06 0.61 -1.02 0.82 0.00 0.00 0.00 179.25 179.60 1tqj h ILE 57 N 0.58 1.49 -0.48 0.00 2.04 -0.95 -3.41 117.51 116.79 1tqj h ILE 57 Ca 0.08 -2.79 0.04 0.00 1.00 0.00 0.00 64.86 63.20 1tqj h ILE 57 Cb 0.72 2.64 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 1tqj h ILE 57 CO 0.06 0.81 0.23 -0.09 0.00 0.00 0.00 178.15 179.16 1tqj h ARG 58 N 0.12 0.44 0.00 2.37 9.65 -1.16 -1.48 114.38 124.32 1tqj h ARG 58 Ca -0.08 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1tqj h ARG 58 Cb 1.69 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 1tqj h ARG 58 CO 0.16 0.29 0.00 -1.00 2.80 0.00 0.00 179.97 182.23 1tqj h PRO 59 N 0.46 0.00 0.00 0.20 0.14 -1.78 -3.25 132.00 127.76 1tqj h PRO 59 Ca 0.21 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.35 1tqj h PRO 59 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.27 1tqj h PRO 59 CO -0.16 0.00 -0.43 1.28 0.14 0.00 0.00 178.00 178.83 1tqj n LEU 60 N -2.50 0.49 -3.78 1.56 4.77 -0.56 -4.86 117.00 112.12 1tqj n LEU 60 Ca 0.02 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1tqj n LEU 60 Cb 0.26 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1tqj n LEU 60 CO 0.22 0.04 -0.03 0.28 -1.33 0.00 0.00 177.39 176.57 1tqj s THR 61 N -3.05 0.04 -1.35 -5.08 -1.32 -1.23 -4.74 115.64 98.91 1tqj s THR 61 Ca 0.10 -0.30 0.26 0.00 -1.21 0.00 0.00 61.69 60.55 1tqj s THR 61 Cb 0.16 -0.50 0.19 0.00 -1.51 0.00 0.00 72.50 70.84 1tqj s THR 61 CO 0.67 -0.16 1.59 0.29 -2.21 0.00 0.00 174.62 174.80 1tqj n LYS 62 N 2.02 0.38 -1.55 7.08 5.02 -1.26 -4.87 118.16 124.98 1tqj n LYS 62 Ca -0.18 -0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.60 1tqj n LYS 62 Cb 0.57 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.14 1tqj n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tqj s LYS 63 N -2.75 2.69 0.19 1.97 -0.14 -1.26 -4.93 119.74 115.51 1tqj s LYS 63 Ca 0.19 1.17 -0.32 0.00 -1.36 0.00 0.00 55.97 55.64 1tqj s LYS 63 Cb 0.19 -1.95 -0.12 0.00 -1.68 0.00 0.00 37.83 34.27 1tqj s LYS 63 CO 0.59 -1.31 1.73 2.41 -0.76 0.00 0.00 175.35 178.00 1tqj n THR 64 N -2.98 0.05 -3.45 2.17 -1.04 -1.24 -4.79 114.28 103.00 1tqj n THR 64 Ca 0.09 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.70 1tqj n THR 64 Cb 0.53 -1.96 -0.10 0.00 -1.82 0.00 0.00 70.33 66.98 1tqj n THR 64 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1tqj s LEU 65 N 1.35 4.22 -0.44 -4.42 1.43 -1.26 -1.00 118.68 118.55 1tqj s LEU 65 Ca 0.76 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1tqj s LEU 65 Cb -0.52 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.50 1tqj s LEU 65 CO 0.33 -0.21 0.29 -0.62 0.23 0.00 0.00 176.35 176.37 1tqj s ASP 66 N 1.71 5.62 -0.31 2.29 2.15 -0.04 -0.90 116.67 127.19 1tqj s ASP 66 Ca 0.11 -1.76 -0.07 0.00 0.43 0.00 0.00 52.55 51.26 1tqj s ASP 66 Cb -0.16 -1.98 0.02 0.00 -0.30 0.00 0.00 42.92 40.49 1tqj s ASP 66 CO 0.11 -0.61 0.10 -0.69 -0.17 0.00 0.00 175.17 173.91 1tqj s VAL 67 N 1.36 4.03 -0.34 1.11 1.01 -0.09 -0.47 120.40 127.01 1tqj s VAL 67 Ca 0.05 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1tqj s VAL 67 Cb -0.25 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1tqj s VAL 67 CO -0.00 -0.00 0.51 -2.28 0.00 0.00 0.00 175.10 173.33 1tqj s HIS 68 N 1.49 3.19 -0.60 5.22 2.46 -0.06 -0.85 115.29 126.15 1tqj s HIS 68 Ca 0.02 0.24 -0.18 0.00 0.47 0.00 0.00 55.06 55.61 1tqj s HIS 68 Cb -0.18 -2.90 0.11 0.00 -0.13 0.00 0.00 32.58 29.49 1tqj s HIS 68 CO 0.03 -0.50 0.67 -0.51 -2.47 0.00 0.00 174.74 171.96 1tqj s LEU 69 N 2.38 5.61 -1.06 8.88 1.43 0.27 -1.04 118.68 135.15 1tqj s LEU 69 Ca 0.19 -1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 51.69 1tqj s LEU 69 Cb -0.15 -2.28 0.31 0.00 0.03 0.00 0.00 46.19 44.10 1tqj s LEU 69 CO 0.13 -1.04 1.62 0.80 0.23 0.00 0.00 176.35 178.09 1tqj n MET 70 N 6.02 4.86 -4.07 1.70 1.56 0.77 -4.16 117.12 123.79 1tqj n MET 70 Ca -0.09 -4.59 -0.07 0.00 -0.27 0.00 0.00 57.70 52.68 1tqj n MET 70 Cb 0.42 -2.50 -0.10 0.00 2.15 0.00 0.00 33.22 33.20 1tqj n MET 70 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1tqj s ILE 71 N -3.37 0.21 0.42 1.12 -0.00 -1.26 -3.52 121.20 114.80 1tqj s ILE 71 Ca 0.34 -1.75 -0.20 0.00 -0.00 0.00 0.00 60.65 59.05 1tqj s ILE 71 Cb 0.10 -1.47 -0.10 0.00 -0.00 0.00 0.00 42.46 40.99 1tqj s ILE 71 CO 0.02 -0.96 0.92 0.68 -0.00 0.00 0.00 174.94 175.59 1tqj s VAL 72 N -3.83 4.45 -1.23 8.37 -7.23 -1.26 -4.20 120.40 115.47 1tqj s VAL 72 Ca 0.06 1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 61.51 1tqj s VAL 72 Cb 0.07 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1tqj s VAL 72 CO -0.10 -0.33 0.69 1.21 -0.31 0.00 0.00 175.10 176.27 1tqj n GLU 73 N -0.67 -2.55 0.11 4.82 2.13 -0.87 -4.85 120.64 118.76 1tqj n GLU 73 Ca 0.06 0.50 0.05 0.00 0.66 0.00 0.00 57.16 58.44 1tqj n GLU 73 Cb 0.54 -4.54 0.50 0.00 0.27 0.00 0.00 31.44 28.21 1tqj n GLU 73 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1tqj h PRO 74 N -1.83 0.32 -0.54 5.31 0.13 -1.75 -1.35 132.00 132.28 1tqj h PRO 74 Ca -0.64 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.62 1tqj h PRO 74 Cb 1.36 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1tqj h PRO 74 CO 0.53 0.23 0.55 1.05 -0.23 0.00 0.00 178.00 180.13 1tqj h GLU 75 N 0.32 0.00 -0.04 0.86 9.09 -1.93 -0.12 114.58 122.77 1tqj h GLU 75 Ca 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.48 1tqj h GLU 75 Cb -0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1tqj h GLU 75 CO -0.02 0.00 -0.05 -0.22 0.05 0.00 0.00 179.01 178.77 1tqj h LYS 76 N 0.00 0.05 -0.00 1.06 3.64 -1.59 -3.26 116.57 116.46 1tqj h LYS 76 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1tqj h LYS 76 Cb 1.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1tqj h LYS 76 CO -0.00 0.11 -0.01 0.66 -2.27 0.00 0.00 179.45 177.94 1tqj n TYR 77 N -4.44 0.00 -0.01 1.91 4.02 -0.11 -4.74 117.16 113.79 1tqj n TYR 77 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.77 1tqj n TYR 77 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 1tqj n TYR 77 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1tqj h VAL 78 N 0.43 0.81 -0.75 -0.72 2.07 -1.47 -1.54 116.25 115.08 1tqj h VAL 78 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1tqj h VAL 78 Cb 0.10 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1tqj h VAL 78 CO 0.00 0.00 0.49 -0.08 0.02 0.00 0.00 177.57 178.00 1tqj h GLU 79 N -0.04 0.95 -0.93 1.57 4.81 -1.85 -1.19 114.58 117.90 1tqj h GLU 79 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1tqj h GLU 79 Cb 0.15 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1tqj h GLU 79 CO -0.16 0.63 0.55 -0.44 -0.73 0.00 0.00 179.01 178.86 1tqj h ASP 80 N 0.98 1.12 0.07 1.04 3.32 -1.75 0.03 116.42 121.24 1tqj h ASP 80 Ca 0.28 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 1tqj h ASP 80 Cb -0.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 1tqj h ASP 80 CO -0.08 0.87 -0.61 -0.26 -1.72 0.00 0.00 179.24 177.45 1tqj h PHE 81 N 1.28 0.68 -0.50 4.55 0.04 -0.93 -1.64 116.94 120.43 1tqj h PHE 81 Ca 0.33 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1tqj h PHE 81 Cb -0.04 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 1tqj h PHE 81 CO 0.01 1.00 0.17 0.00 -0.60 0.00 0.00 178.31 178.89 1tqj h ALA 82 N 0.94 0.65 -0.76 2.45 0.00 -0.84 -1.53 119.26 120.18 1tqj h ALA 82 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1tqj h ALA 82 Cb 1.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1tqj h ALA 82 CO 0.11 0.29 0.41 1.57 0.00 0.00 0.00 179.25 181.63 1tqj h LYS 83 N 0.68 1.07 0.00 0.00 5.09 -0.88 -2.42 116.57 120.11 1tqj h LYS 83 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 60.65 60.76 1tqj h LYS 83 Cb 0.25 -0.21 -0.00 0.00 0.10 0.00 0.00 32.23 32.37 1tqj h LYS 83 CO -0.01 0.80 -0.07 0.00 -2.09 0.00 0.00 179.45 178.09 1tqj h ALA 84 N 1.21 1.10 0.00 0.07 0.00 -1.02 -3.46 119.26 117.15 1tqj h ALA 84 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1tqj h ALA 84 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tqj h ALA 84 CO -0.04 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1tqj n GLY 85 N -0.43 1.71 3.75 0.00 0.00 -0.91 -3.93 105.19 105.37 1tqj n GLY 85 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1tqj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 86 N -1.90 3.75 -0.21 4.61 0.00 -0.62 -4.72 121.76 122.68 1tqj s ALA 86 Ca 0.00 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 1tqj s ALA 86 Cb 0.00 -3.64 -0.21 0.00 0.00 0.00 0.00 23.12 19.27 1tqj s ALA 86 CO 0.00 -0.96 0.00 -0.25 0.00 0.00 0.00 175.76 174.56 1tqj n ASP 87 N 2.31 1.93 -4.40 0.00 8.00 -0.08 -4.72 116.55 119.60 1tqj n ASP 87 Ca 0.08 -0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 1tqj n ASP 87 Cb 0.38 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 1tqj n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tqj s ILE 88 N -2.53 3.01 -0.17 0.53 1.01 -0.82 -1.40 121.20 120.83 1tqj s ILE 88 Ca -0.29 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1tqj s ILE 88 Cb 0.08 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1tqj s ILE 88 CO 0.67 0.55 -0.18 -0.63 0.00 0.00 0.00 174.94 175.35 1tqj s ILE 89 N 0.01 1.93 -0.10 2.92 1.01 -0.35 -0.91 121.20 125.71 1tqj s ILE 89 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1tqj s ILE 89 Cb -0.14 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1tqj s ILE 89 CO 0.04 0.50 -0.09 -0.94 0.00 0.00 0.00 174.94 174.45 1tqj s SER 90 N 1.34 4.40 0.12 3.58 1.04 -0.03 -0.86 113.70 123.29 1tqj s SER 90 Ca 0.05 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.39 1tqj s SER 90 Cb -0.13 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1tqj s SER 90 CO -0.12 0.27 -0.17 0.68 0.98 0.00 0.00 173.24 174.87 1tqj s VAL 91 N -0.23 1.54 0.42 5.02 -7.23 -0.33 -0.56 120.40 119.02 1tqj s VAL 91 Ca 0.02 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1tqj s VAL 91 Cb -0.13 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 1tqj s VAL 91 CO 0.03 -0.26 0.98 -1.00 -0.31 0.00 0.00 175.10 174.53 1tqj s HIS 92 N -1.72 3.31 -0.30 2.82 3.76 -1.26 -0.69 115.29 121.22 1tqj s HIS 92 Ca 0.08 1.64 0.23 0.00 -0.15 0.00 0.00 55.06 56.86 1tqj s HIS 92 Cb -0.07 -2.93 0.08 0.00 1.11 0.00 0.00 32.58 30.76 1tqj s HIS 92 CO 0.04 -0.25 1.15 -0.39 -0.85 0.00 0.00 174.74 174.44 1tqj h VAL 93 N 1.99 0.00 -3.99 -0.90 -1.51 -1.79 -3.37 116.25 106.67 1tqj h VAL 93 Ca -0.49 -0.96 -0.54 0.00 -1.23 0.00 0.00 66.70 63.49 1tqj h VAL 93 Cb 1.19 1.54 0.11 0.00 -2.13 0.00 0.00 31.29 32.00 1tqj h VAL 93 CO 0.61 0.00 0.64 -1.61 -1.23 0.00 0.00 177.57 175.99 1tqj s GLU 94 N -3.33 3.64 0.52 5.19 8.01 -1.26 -4.76 118.70 126.71 1tqj s GLU 94 Ca 0.01 2.26 0.31 0.00 0.01 0.00 0.00 54.97 57.56 1tqj s GLU 94 Cb 0.09 -2.57 1.15 0.00 -4.31 0.00 0.00 34.13 28.49 1tqj s GLU 94 CO 0.77 -0.80 1.91 0.45 0.01 0.00 0.00 175.26 177.59 1tqj h HIS 95 N 2.20 0.00 0.00 1.61 3.86 -1.93 -1.81 115.15 119.08 1tqj h HIS 95 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1tqj h HIS 95 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1tqj h HIS 95 CO 0.50 0.03 0.00 0.27 0.86 0.00 0.00 177.93 179.59 1tqj n ASN 96 N -3.13 0.00 -0.02 2.45 0.23 -1.26 -3.99 115.26 109.54 1tqj n ASN 96 Ca 0.01 -0.33 -0.04 0.00 -0.53 0.00 0.00 54.58 53.69 1tqj n ASN 96 Cb 0.36 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.86 1tqj n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqj n ALA 97 N -1.18 1.57 -2.87 -2.53 0.00 -0.73 -4.71 120.51 110.07 1tqj n ALA 97 Ca 0.14 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 1tqj n ALA 97 Cb 0.16 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 1tqj n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1tqj s SER 98 N -5.45 5.60 0.17 0.00 0.01 -0.91 -2.05 113.70 111.08 1tqj s SER 98 Ca -0.12 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 1tqj s SER 98 Cb 0.02 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.28 1tqj s SER 98 CO 0.17 -0.27 1.42 -0.65 0.41 0.00 0.00 173.24 174.32 1tqj h PRO 99 N 8.38 0.43 -2.02 12.44 0.11 -1.86 -3.38 132.00 146.10 1tqj h PRO 99 Ca -0.29 -0.36 -0.53 0.00 0.11 0.00 0.00 66.00 64.93 1tqj h PRO 99 Cb 1.13 0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1tqj h PRO 99 CO 0.63 0.99 -1.11 -2.39 -0.21 0.00 0.00 178.00 175.92 1tqj n HIS 100 N -3.84 0.21 -0.26 0.65 1.44 -1.26 -4.99 115.22 107.17 1tqj n HIS 100 Ca -0.05 -3.72 0.02 0.00 -2.01 0.00 0.00 57.72 51.97 1tqj n HIS 100 Cb 0.72 -0.40 0.10 0.00 0.12 0.00 0.00 29.99 30.53 1tqj n HIS 100 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1tqj h LEU 101 N 3.52 -0.65 -0.80 2.39 5.85 -1.92 -1.80 115.31 121.89 1tqj h LEU 101 Ca 0.09 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1tqj h LEU 101 Cb 0.90 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1tqj h LEU 101 CO 0.51 -0.24 0.48 -0.74 -0.34 0.00 0.00 178.44 178.10 1tqj h HIS 102 N 0.01 1.05 -0.58 1.25 2.76 -1.98 -1.70 115.15 115.95 1tqj h HIS 102 Ca 0.38 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1tqj h HIS 102 Cb 0.59 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1tqj h HIS 102 CO -0.58 0.70 0.14 -0.09 -1.30 0.00 0.00 177.93 176.81 1tqj h ARG 103 N 1.09 0.93 -0.50 5.26 2.43 -1.78 -1.78 114.38 120.03 1tqj h ARG 103 Ca 0.29 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1tqj h ARG 103 Cb -0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1tqj h ARG 103 CO -0.05 0.86 0.05 1.15 -1.51 0.00 0.00 179.97 180.46 1tqj h THR 104 N 0.83 1.26 -0.62 0.20 2.02 -1.17 0.18 112.91 115.61 1tqj h THR 104 Ca 0.18 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1tqj h THR 104 Cb 0.34 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1tqj h THR 104 CO 0.00 0.35 0.36 -0.07 0.37 0.00 0.00 175.52 176.54 1tqj h LEU 105 N 0.71 0.57 -0.79 2.58 3.38 -1.25 -1.64 115.31 118.87 1tqj h LEU 105 Ca 0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1tqj h LEU 105 Cb 0.45 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1tqj h LEU 105 CO 0.02 0.39 0.34 0.00 0.09 0.00 0.00 178.44 179.28 1tqj h GLN 107 N 1.13 0.85 -0.46 0.00 4.15 -0.17 0.14 115.11 120.74 1tqj h GLN 107 Ca 0.27 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1tqj h GLN 107 Cb 0.18 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1tqj h GLN 107 CO -0.03 0.56 0.15 0.82 -1.93 0.00 0.00 178.83 178.40 1tqj h ILE 108 N 0.87 1.22 -0.23 2.39 2.04 -1.15 -2.32 117.51 120.34 1tqj h ILE 108 Ca 0.27 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 1tqj h ILE 108 Cb -0.03 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1tqj h ILE 108 CO -0.09 0.27 -0.37 0.03 0.00 0.00 0.00 178.15 177.99 1tqj h ARG 109 N 0.61 0.52 0.00 2.37 3.08 -1.06 -2.29 114.38 117.62 1tqj h ARG 109 Ca 0.15 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1tqj h ARG 109 Cb 0.27 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1tqj h ARG 109 CO -0.00 0.81 -0.14 0.93 -1.07 0.00 0.00 179.97 180.50 1tqj h GLU 110 N 0.44 0.00 -0.01 0.04 5.08 -0.73 0.35 114.58 119.75 1tqj h GLU 110 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1tqj h GLU 110 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1tqj h GLU 110 CO 0.07 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.50 1tqj n LEU 111 N -4.13 0.17 0.00 1.33 4.77 -0.90 -4.89 117.00 113.34 1tqj n LEU 111 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1tqj n LEU 111 Cb 0.22 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1tqj n LEU 111 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1tqj n GLY 112 N 0.88 0.51 3.92 -0.72 0.00 0.11 -5.05 105.19 104.84 1tqj n GLY 112 Ca 0.17 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1tqj n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tqj s LYS 113 N -1.03 2.50 -0.07 1.61 -0.14 -0.89 -5.01 119.74 116.71 1tqj s LYS 113 Ca 0.00 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 52.87 1tqj s LYS 113 Cb 0.00 -2.42 -0.05 0.00 -1.68 0.00 0.00 37.83 33.68 1tqj s LYS 113 CO 0.00 -0.37 0.37 0.15 -0.76 0.00 0.00 175.35 174.74 1tqj s LYS 114 N -4.26 4.03 -0.16 1.68 -0.14 -0.49 -3.92 119.74 116.49 1tqj s LYS 114 Ca 0.49 0.29 -0.08 0.00 -1.36 0.00 0.00 55.97 55.32 1tqj s LYS 114 Cb -0.04 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1tqj s LYS 114 CO 0.29 0.49 0.10 0.00 -0.76 0.00 0.00 175.35 175.47 1tqj s ALA 115 N -0.40 3.61 0.06 5.17 0.00 -1.26 -1.21 121.76 127.73 1tqj s ALA 115 Ca 0.22 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.56 1tqj s ALA 115 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1tqj s ALA 115 CO 0.10 0.34 -0.22 0.20 0.00 0.00 0.00 175.76 176.17 1tqj s GLY 116 N -0.15 1.53 -0.07 0.00 0.00 -0.04 -0.51 107.32 108.08 1tqj s GLY 116 Ca 0.09 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.56 1tqj s GLY 116 CO 0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 173.10 171.82 1tqj s ALA 117 N -0.93 2.81 -0.07 3.20 0.00 -0.68 -1.18 121.76 124.91 1tqj s ALA 117 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1tqj s ALA 117 Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1tqj s ALA 117 CO 0.05 0.52 -0.25 0.08 0.00 0.00 0.00 175.76 176.17 1tqj s VAL 118 N -0.63 2.07 -0.19 0.00 1.01 0.14 -1.05 120.40 121.75 1tqj s VAL 118 Ca 0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1tqj s VAL 118 Cb -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1tqj s VAL 118 CO 0.01 0.57 -0.13 -0.76 0.00 0.00 0.00 175.10 174.80 1tqj s LEU 119 N -0.04 2.53 0.94 3.92 1.02 -0.41 -2.06 118.68 124.57 1tqj s LEU 119 Ca -0.07 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 1tqj s LEU 119 Cb -0.15 -1.60 0.16 0.00 0.02 0.00 0.00 46.19 44.62 1tqj s LEU 119 CO 0.05 0.02 1.13 0.20 0.02 0.00 0.00 176.35 177.77 1tqj s ASN 120 N 1.19 2.74 0.28 2.29 0.01 -1.26 -2.03 114.94 118.17 1tqj s ASN 120 Ca 0.02 2.09 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 1tqj s ASN 120 Cb -0.14 -2.53 0.64 0.00 0.41 0.00 0.00 41.25 39.62 1tqj s ASN 120 CO -0.05 -3.20 1.77 -0.65 -1.51 0.00 0.00 177.10 173.46 1tqj h PRO 121 N -1.93 0.68 0.00 -0.60 0.11 -1.84 -1.48 132.00 126.93 1tqj h PRO 121 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tqj h PRO 121 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1tqj h PRO 121 CO 0.43 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.33 1tqj h SER 122 N 0.70 0.00 -3.19 -2.05 4.64 -1.92 -3.47 113.55 108.26 1tqj h SER 122 Ca 0.52 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.29 1tqj h SER 122 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1tqj h SER 122 CO -0.37 0.00 0.61 -0.89 -0.87 0.00 0.00 176.83 175.31 1tqj s THR 123 N -3.22 4.56 0.69 2.95 2.01 -0.56 -5.01 115.64 117.06 1tqj s THR 123 Ca 0.08 1.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.81 1tqj s THR 123 Cb 0.10 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1tqj s THR 123 CO 0.53 0.01 1.06 -2.16 -0.69 0.00 0.00 174.62 173.37 1tqj s PRO 124 N 2.04 2.99 0.16 4.92 0.04 -1.26 -4.83 135.00 139.06 1tqj s PRO 124 Ca 0.52 0.78 0.23 0.00 0.04 0.00 0.00 61.00 62.56 1tqj s PRO 124 Cb -0.21 -2.01 0.89 0.00 0.04 0.00 0.00 34.50 33.21 1tqj s PRO 124 CO 0.20 -1.01 1.70 1.28 0.04 0.00 0.00 177.00 179.20 1tqj n LEU 125 N -3.05 0.46 0.32 -3.56 4.77 -1.26 -2.95 117.00 111.73 1tqj n LEU 125 Ca 0.07 0.59 0.19 0.00 -0.03 0.00 0.00 56.01 56.83 1tqj n LEU 125 Cb 0.55 -0.49 1.05 0.00 -2.33 0.00 0.00 43.42 42.19 1tqj n LEU 125 CO 0.57 -0.34 1.13 0.44 -1.33 0.00 0.00 177.39 177.86 1tqj h ASP 126 N 0.00 0.00 0.34 -1.43 3.32 -2.02 0.68 116.42 117.31 1tqj h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tqj h ASP 126 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1tqj h ASP 126 CO 0.00 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 1tqj n PHE 127 N -3.32 0.62 0.80 4.55 3.01 -1.15 -2.07 117.46 119.89 1tqj n PHE 127 Ca -0.02 0.28 0.09 0.00 1.01 0.00 0.00 57.45 58.80 1tqj n PHE 127 Cb 0.12 -0.95 -0.02 0.00 -0.01 0.00 0.00 39.48 38.62 1tqj n PHE 127 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1tqj n LEU 128 N -2.10 1.62 -0.29 4.37 4.77 0.23 -4.69 117.00 120.91 1tqj n LEU 128 Ca 0.01 -0.73 0.22 0.00 -0.03 0.00 0.00 56.01 55.47 1tqj n LEU 128 Cb 0.12 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.73 1tqj n LEU 128 CO 0.13 0.31 1.23 -0.08 -1.33 0.00 0.00 177.39 177.65 1tqj h GLU 129 N 1.72 0.37 -0.01 3.23 4.57 -1.42 -2.58 114.58 120.46 1tqj h GLU 129 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1tqj h GLU 129 Cb 0.58 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1tqj h GLU 129 CO 0.00 0.24 -0.04 0.66 -1.18 0.00 0.00 179.01 178.70 1tqj n TYR 130 N -4.55 0.00 0.33 0.92 4.02 -1.26 -4.53 117.16 112.09 1tqj n TYR 130 Ca 0.23 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.15 1tqj n TYR 130 Cb 0.82 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.12 1tqj n TYR 130 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1tqj n VAL 131 N 0.31 0.00 -0.28 -0.72 0.24 -1.01 -4.76 118.33 112.11 1tqj n VAL 131 Ca 0.05 -0.39 0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1tqj n VAL 131 Cb 0.20 1.05 0.24 0.00 -1.47 0.00 0.00 33.84 33.86 1tqj n VAL 131 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1tqj h LEU 132 N 0.50 0.30 -2.12 1.34 5.85 -1.71 -0.32 115.31 119.15 1tqj h LEU 132 Ca 0.00 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1tqj h LEU 132 Cb 0.22 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1tqj h LEU 132 CO 0.00 0.06 0.31 -0.65 -0.34 0.00 0.00 178.44 177.82 1tqj h PRO 133 N 0.43 0.00 -0.46 5.25 0.11 -1.90 -1.57 132.00 133.87 1tqj h PRO 133 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1tqj h PRO 133 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1tqj h PRO 133 CO -0.46 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.66 1tqj n VAL 134 N -3.71 1.64 -3.52 3.15 0.24 -0.15 -4.92 118.33 111.06 1tqj n VAL 134 Ca 0.04 -1.29 -0.38 0.00 -2.04 0.00 0.00 64.34 60.66 1tqj n VAL 134 Cb 0.45 0.17 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 1tqj n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tqj h ASP 136 N 8.17 0.00 -4.32 0.00 3.32 -1.09 -3.43 116.42 119.06 1tqj h ASP 136 Ca -0.34 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.56 1tqj h ASP 136 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1tqj h ASP 136 CO 0.60 0.49 -0.41 -0.22 -1.72 0.00 0.00 179.24 177.98 1tqj s LEU 137 N -6.22 1.13 -0.12 1.55 0.20 -0.93 -1.71 118.68 112.57 1tqj s LEU 137 Ca 0.02 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.13 1tqj s LEU 137 Cb 0.08 0.89 0.00 0.00 -0.43 0.00 0.00 46.19 46.73 1tqj s LEU 137 CO 0.76 -0.22 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.75 1tqj s ILE 138 N -0.50 2.15 -0.25 6.68 -1.09 0.13 -1.69 121.20 126.62 1tqj s ILE 138 Ca -0.06 -0.97 -0.06 0.00 -2.23 0.00 0.00 60.65 57.33 1tqj s ILE 138 Cb -0.04 -1.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1tqj s ILE 138 CO 0.01 0.55 0.03 -0.22 -1.23 0.00 0.00 174.94 174.09 1tqj s LEU 139 N 0.50 3.32 -0.43 2.97 2.96 -0.21 -0.42 118.68 127.37 1tqj s LEU 139 Ca -0.14 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.25 1tqj s LEU 139 Cb -0.17 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1tqj s LEU 139 CO 0.05 -0.06 0.39 -0.63 -1.32 0.00 0.00 176.35 174.79 1tqj s ILE 140 N 1.55 5.16 0.18 6.68 1.01 0.09 -1.29 121.20 134.58 1tqj s ILE 140 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1tqj s ILE 140 Cb -0.15 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 1tqj s ILE 140 CO 0.01 -0.43 1.25 -0.04 0.00 0.00 0.00 174.94 175.73 1tqj s MET 141 N 1.92 4.44 -0.01 2.79 -1.94 -0.86 -2.70 119.30 122.94 1tqj s MET 141 Ca 0.08 1.95 0.05 0.00 -1.71 0.00 0.00 55.69 56.07 1tqj s MET 141 Cb -0.19 -3.23 0.13 0.00 2.01 0.00 0.00 34.83 33.56 1tqj s MET 141 CO 0.11 -0.18 1.11 -1.13 -0.01 0.00 0.00 175.02 174.92 1tqj n SER 142 N 2.69 2.39 -4.03 3.03 3.41 0.22 -4.02 113.62 117.32 1tqj n SER 142 Ca 0.06 -2.07 -0.09 0.00 -0.26 0.00 0.00 58.87 56.51 1tqj n SER 142 Cb 0.44 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1tqj n SER 142 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tqj s VAL 143 N -1.12 0.13 -0.40 -3.33 0.11 -1.24 -1.01 120.40 113.54 1tqj s VAL 143 Ca 0.11 -1.61 -0.25 0.00 -2.93 0.00 0.00 61.98 57.30 1tqj s VAL 143 Cb 0.06 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1tqj s VAL 143 CO 0.06 -0.57 0.90 0.20 -3.33 0.00 0.00 175.10 172.36 1tqj s ASN 144 N -2.96 6.60 -1.05 3.54 0.01 -1.26 -4.70 114.94 115.11 1tqj s ASN 144 Ca 0.15 0.40 -0.23 0.00 -0.71 0.00 0.00 52.86 52.47 1tqj s ASN 144 Cb 0.06 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.29 1tqj s ASN 144 CO -0.04 -0.89 1.64 -2.16 -1.51 0.00 0.00 177.10 174.14 1tqj s PRO 145 N 3.49 3.33 0.00 -0.60 0.06 -1.26 -5.12 135.00 134.91 1tqj s PRO 145 Ca 0.37 -1.07 0.00 0.00 0.06 0.00 0.00 61.00 60.36 1tqj s PRO 145 Cb -0.12 -5.31 0.00 0.00 0.06 0.00 0.00 34.50 29.13 1tqj s PRO 145 CO 0.21 -2.61 0.00 0.94 0.06 0.00 0.00 177.00 175.59 1tqj n GLN 150 N 8.76 0.00 -3.90 4.56 7.27 -1.26 -4.75 117.38 128.06 1tqj n GLN 150 Ca 0.38 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 57.23 1tqj n GLN 150 Cb 0.49 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.10 1tqj n GLN 150 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1tqj s SER 151 N 0.00 5.10 0.26 1.69 1.04 -1.26 -4.62 113.70 115.91 1tqj s SER 151 Ca 0.00 -0.58 -0.31 0.00 0.48 0.00 0.00 55.95 55.54 1tqj s SER 151 Cb 0.00 -0.90 -0.12 0.00 0.10 0.00 0.00 66.02 65.09 1tqj s SER 151 CO 0.00 -0.33 1.53 0.33 0.98 0.00 0.00 173.24 175.75 1tqj n PHE 152 N -1.30 2.56 -3.18 5.02 7.35 -1.26 -4.72 117.46 121.92 1tqj n PHE 152 Ca -0.02 0.31 -0.43 0.00 -0.76 0.00 0.00 57.45 56.55 1tqj n PHE 152 Cb 0.60 -2.55 -0.07 0.00 0.35 0.00 0.00 39.48 37.81 1tqj n PHE 152 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1tqj s ILE 153 N 0.09 4.93 0.35 -2.13 1.01 -0.18 -4.95 121.20 120.31 1tqj s ILE 153 Ca 0.67 0.08 0.30 0.00 0.00 0.00 0.00 60.65 61.70 1tqj s ILE 153 Cb -0.56 -4.11 0.32 0.00 0.01 0.00 0.00 42.46 38.12 1tqj s ILE 153 CO 0.47 -0.46 2.06 1.55 0.00 0.00 0.00 174.94 178.56 1tqj h PRO 154 N 8.73 0.00 0.00 2.79 0.13 -1.92 -2.72 132.00 139.01 1tqj h PRO 154 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1tqj h PRO 154 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1tqj h PRO 154 CO 0.84 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 179.10 1tqj n GLU 155 N -3.43 0.19 0.03 0.86 4.71 -1.26 -2.02 120.64 119.72 1tqj n GLU 155 Ca -0.01 0.50 0.13 0.00 -0.01 0.00 0.00 57.16 57.78 1tqj n GLU 155 Cb 0.26 -1.92 0.51 0.00 -1.01 0.00 0.00 31.44 29.28 1tqj n GLU 155 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1tqj n VAL 156 N -2.28 0.20 -0.04 2.62 0.24 -1.03 -4.00 118.33 114.03 1tqj n VAL 156 Ca 0.01 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 1tqj n VAL 156 Cb 0.17 -0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1tqj n VAL 156 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tqj h LEU 157 N 0.00 0.01 -1.99 1.34 3.38 -1.62 -0.84 115.31 115.60 1tqj h LEU 157 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1tqj h LEU 157 Cb 0.58 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1tqj h LEU 157 CO 0.00 0.04 -0.09 -0.65 0.09 0.00 0.00 178.44 177.83 1tqj h PRO 158 N 0.12 0.00 -0.48 1.13 0.11 -1.79 -1.89 132.00 129.21 1tqj h PRO 158 Ca 0.09 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 1tqj h PRO 158 Cb 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1tqj h PRO 158 CO -0.12 0.09 0.03 -0.22 -0.21 0.00 0.00 178.00 177.56 1tqj h LYS 159 N 0.00 0.83 -0.27 1.05 3.64 -1.36 -0.84 116.57 119.63 1tqj h LYS 159 Ca -0.00 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1tqj h LYS 159 Cb 0.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1tqj h LYS 159 CO 0.01 0.86 0.04 0.82 -2.27 0.00 0.00 179.45 178.90 1tqj h ILE 160 N 0.69 1.24 -0.59 2.00 2.04 -0.63 0.19 117.51 122.44 1tqj h ILE 160 Ca 0.14 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1tqj h ILE 160 Cb 0.46 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1tqj h ILE 160 CO 0.02 0.26 0.38 0.03 0.00 0.00 0.00 178.15 178.84 1tqj h ARG 161 N 0.25 0.74 -0.47 2.37 3.08 -1.29 -0.05 114.38 119.01 1tqj h ARG 161 Ca 0.08 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1tqj h ARG 161 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1tqj h ARG 161 CO 0.01 0.49 -0.08 0.00 -1.07 0.00 0.00 179.97 179.32 1tqj h ALA 162 N 1.23 0.98 -0.58 0.04 0.00 -0.98 -1.93 119.26 118.03 1tqj h ALA 162 Ca 0.23 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1tqj h ALA 162 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1tqj h ALA 162 CO -0.07 0.61 0.14 1.25 0.00 0.00 0.00 179.25 181.18 1tqj h LEU 163 N 0.76 0.88 -0.38 0.00 5.85 -0.39 -0.24 115.31 121.80 1tqj h LEU 163 Ca 0.13 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1tqj h LEU 163 Cb 0.57 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1tqj h LEU 163 CO 0.03 0.88 0.16 -0.09 -0.34 0.00 0.00 178.44 179.09 1tqj h ARG 164 N 0.84 0.33 -0.53 1.25 9.65 -0.74 -0.93 114.38 124.25 1tqj h ARG 164 Ca 0.18 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1tqj h ARG 164 Cb 0.35 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1tqj h ARG 164 CO 0.00 0.22 0.25 1.96 2.80 0.00 0.00 179.97 185.20 1tqj h GLN 165 N 0.34 0.76 -0.46 0.20 1.08 -1.19 -0.42 115.11 115.43 1tqj h GLN 165 Ca 0.17 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1tqj h GLN 165 Cb 0.11 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.35 1tqj h GLN 165 CO -0.15 0.63 0.12 0.52 -0.95 0.00 0.00 178.83 179.00 1tqj h MET 166 N 0.70 0.25 -0.36 1.46 2.86 -0.46 -1.66 114.93 117.72 1tqj h MET 166 Ca 0.18 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1tqj h MET 166 Cb 0.13 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1tqj h MET 166 CO -0.02 0.17 0.19 0.00 1.06 0.00 0.00 176.91 178.31 1tqj h ASP 168 N 0.45 0.30 0.26 0.00 3.32 -0.75 0.11 116.42 120.12 1tqj h ASP 168 Ca 0.13 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1tqj h ASP 168 Cb 0.07 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1tqj h ASP 168 CO -0.02 0.30 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.35 1tqj h GLU 169 N 0.28 0.00 -0.01 3.56 5.08 -1.30 -1.87 114.58 120.32 1tqj h GLU 169 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1tqj h GLU 169 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1tqj h GLU 169 CO -0.01 0.11 -0.23 0.54 -1.00 0.00 0.00 179.01 178.42 1tqj n ARG 170 N -3.82 1.31 -2.29 2.33 1.74 -0.96 -4.96 116.66 110.01 1tqj n ARG 170 Ca -0.02 -0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 56.00 1tqj n ARG 170 Cb 0.21 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1tqj n ARG 170 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tqj n GLY 171 N 1.33 -0.18 3.72 -0.13 0.00 -0.66 -5.03 105.19 104.24 1tqj n GLY 171 Ca 0.13 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1tqj n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqj s LEU 172 N -3.89 3.52 -0.35 0.99 1.43 -0.06 -5.02 118.68 115.29 1tqj s LEU 172 Ca 0.01 -0.29 0.14 0.00 -1.03 0.00 0.00 54.13 52.97 1tqj s LEU 172 Cb -0.01 -2.15 0.40 0.00 0.03 0.00 0.00 46.19 44.46 1tqj s LEU 172 CO 0.02 0.08 0.86 -0.67 0.23 0.00 0.00 176.35 176.87 1tqj n ASP 173 N -0.21 0.94 -4.80 2.29 2.03 -1.26 -4.21 116.55 111.32 1tqj n ASP 173 Ca -0.09 -2.88 -0.32 0.00 0.52 0.00 0.00 54.79 52.02 1tqj n ASP 173 Cb 0.55 -0.46 0.04 0.00 -0.72 0.00 0.00 41.12 40.53 1tqj n ASP 173 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1tqj s PRO 174 N -2.59 3.02 0.16 -0.67 0.04 -1.26 -4.98 135.00 128.71 1tqj s PRO 174 Ca 0.33 1.13 -0.34 0.00 0.04 0.00 0.00 61.00 62.16 1tqj s PRO 174 Cb 0.40 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.80 1tqj s PRO 174 CO -0.03 -1.05 1.57 0.91 0.04 0.00 0.00 177.00 178.45 1tqj n TRP 175 N -2.62 2.25 -3.47 0.56 7.02 -0.70 -4.88 117.44 115.60 1tqj n TRP 175 Ca 0.08 0.28 -0.43 0.00 -1.02 0.00 0.00 57.50 56.42 1tqj n TRP 175 Cb 0.53 -2.54 -0.08 0.00 -2.42 0.00 0.00 31.31 26.81 1tqj n TRP 175 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1tqj s ILE 176 N 0.92 4.65 0.02 -0.99 1.01 -1.26 -0.70 121.20 124.85 1tqj s ILE 176 Ca 0.79 -1.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1tqj s ILE 176 Cb -0.69 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 1tqj s ILE 176 CO 0.38 -0.73 0.27 -0.70 0.00 0.00 0.00 174.94 174.16 1tqj s GLU 177 N 1.48 3.56 -0.01 2.79 2.12 0.44 -1.14 118.70 127.94 1tqj s GLU 177 Ca 0.04 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.28 1tqj s GLU 177 Cb -0.27 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 1tqj s GLU 177 CO 0.02 0.63 -0.10 0.08 -0.54 0.00 0.00 175.26 175.35 1tqj s VAL 178 N -1.35 0.77 -0.06 3.70 1.01 -0.63 -0.73 120.40 123.11 1tqj s VAL 178 Ca 0.29 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1tqj s VAL 178 Cb -0.13 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.63 1tqj s VAL 178 CO 0.18 0.22 0.11 -0.62 0.00 0.00 0.00 175.10 174.99 1tqj s ASP 179 N -0.11 0.77 0.00 3.32 2.15 -1.10 -1.32 116.67 120.38 1tqj s ASP 179 Ca 0.02 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1tqj s ASP 179 Cb -0.05 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1tqj s ASP 179 CO -0.00 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1tqj n GLY 180 N 5.12 2.86 2.07 2.66 0.00 -1.26 -0.61 105.19 116.03 1tqj n GLY 180 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 1tqj n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tqj n GLY 181 N 0.00 0.54 3.75 -0.02 0.00 -1.26 -4.38 105.19 103.82 1tqj n GLY 181 Ca 0.00 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1tqj n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqj s LEU 182 N -0.45 4.34 0.22 0.99 1.43 -1.26 -4.53 118.68 119.41 1tqj s LEU 182 Ca 0.00 0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1tqj s LEU 182 Cb 0.00 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1tqj s LEU 182 CO 0.00 0.09 0.27 -0.54 0.23 0.00 0.00 176.35 176.39 1tqj s LYS 183 N 0.13 1.33 0.41 1.70 1.02 -1.26 -4.56 119.74 118.50 1tqj s LYS 183 Ca 0.26 -1.48 0.17 0.00 0.02 0.00 0.00 55.97 54.94 1tqj s LYS 183 Cb -0.16 0.35 1.06 0.00 -0.52 0.00 0.00 37.83 38.56 1tqj s LYS 183 CO 0.12 -0.49 1.83 -1.35 -0.92 0.00 0.00 175.35 174.54 1tqj h PRO 184 N 2.48 0.42 -0.08 -1.68 0.11 -1.86 -1.96 132.00 129.43 1tqj h PRO 184 Ca -0.32 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1tqj h PRO 184 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1tqj h PRO 184 CO 0.46 0.28 -0.52 -2.95 -0.21 0.00 0.00 178.00 175.06 1tqj h ASN 185 N 0.43 0.24 -0.00 -2.05 -1.07 -1.95 -3.36 115.58 107.82 1tqj h ASN 185 Ca 0.51 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.75 1tqj h ASN 185 Cb 1.23 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1tqj h ASN 185 CO -0.21 0.72 -0.00 -0.46 0.07 0.00 0.00 177.43 177.54 1tqj n ASN 186 N -3.93 0.88 0.23 6.14 6.94 -1.02 -4.71 115.26 119.78 1tqj n ASN 186 Ca -0.02 -0.94 0.08 0.00 -0.02 0.00 0.00 54.58 53.68 1tqj n ASN 186 Cb 0.56 0.17 0.55 0.00 -2.36 0.00 0.00 39.78 38.70 1tqj n ASN 186 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1tqj h THR 187 N 0.11 0.93 -0.96 5.53 2.02 -1.52 -1.98 112.91 117.04 1tqj h THR 187 Ca 0.00 -0.76 0.27 0.00 0.77 0.00 0.00 66.41 66.69 1tqj h THR 187 Cb 0.02 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1tqj h THR 187 CO 0.00 0.20 0.68 4.11 0.37 0.00 0.00 175.52 180.89 1tqj h TRP 188 N 0.00 0.05 -0.39 3.16 5.08 -1.83 -1.73 115.95 120.28 1tqj h TRP 188 Ca -0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 1tqj h TRP 188 Cb 0.42 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 1tqj h TRP 188 CO 0.00 0.01 0.05 1.96 -1.28 0.00 0.00 178.44 179.18 1tqj h GLN 189 N 0.03 0.65 -0.02 0.12 4.20 -1.73 -1.71 115.11 116.66 1tqj h GLN 189 Ca 0.46 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.83 1tqj h GLN 189 Cb 1.78 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 1tqj h GLN 189 CO -0.02 0.71 -0.74 -0.39 -0.67 0.00 0.00 178.83 177.72 1tqj h VAL 190 N 0.49 1.48 -0.48 -0.54 -1.51 -1.51 -2.47 116.25 111.70 1tqj h VAL 190 Ca 0.12 -2.39 -0.08 0.00 -1.23 0.00 0.00 66.70 63.12 1tqj h VAL 190 Cb 0.38 2.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 1tqj h VAL 190 CO 0.01 0.69 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.95 1tqj h LEU 191 N 0.08 0.86 -1.09 4.19 3.38 -1.28 -1.40 115.31 120.04 1tqj h LEU 191 Ca -0.02 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1tqj h LEU 191 Cb 1.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1tqj h LEU 191 CO 0.11 0.97 -0.40 -0.33 0.09 0.00 0.00 178.44 178.88 1tqj h GLU 192 N 0.73 0.10 0.00 1.13 5.08 -1.30 -2.25 114.58 118.07 1tqj h GLU 192 Ca 0.13 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1tqj h GLU 192 Cb 0.54 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1tqj h GLU 192 CO 0.03 0.49 -0.09 0.00 -1.00 0.00 0.00 179.01 178.44 1tqj h ALA 193 N 1.51 1.08 0.00 3.43 0.00 -1.17 -3.47 119.26 120.65 1tqj h ALA 193 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tqj h ALA 193 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1tqj h ALA 193 CO 0.06 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1tqj n GLY 194 N -0.28 0.61 3.77 0.00 0.00 -0.84 -3.34 105.19 105.09 1tqj n GLY 194 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1tqj n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 195 N -1.42 2.88 0.00 4.61 0.00 -0.56 -4.81 121.76 122.45 1tqj s ALA 195 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1tqj s ALA 195 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1tqj s ALA 195 CO 0.00 -0.78 0.38 0.27 0.00 0.00 0.00 175.76 175.63 1tqj n ASN 196 N -0.77 0.42 -3.80 0.00 0.23 -0.29 -4.48 115.26 106.56 1tqj n ASN 196 Ca 0.09 -1.13 -0.21 0.00 -0.53 0.00 0.00 54.58 52.79 1tqj n ASN 196 Cb 0.48 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.01 1tqj n ASN 196 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqj s ALA 197 N -0.13 0.63 -0.19 -2.53 0.00 -0.87 -1.10 121.76 117.57 1tqj s ALA 197 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1tqj s ALA 197 Cb 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1tqj s ALA 197 CO 0.00 -0.31 -0.14 0.42 0.00 0.00 0.00 175.76 175.74 1tqj s ILE 198 N 1.61 2.64 -0.14 0.00 -1.09 -0.32 -1.61 121.20 122.29 1tqj s ILE 198 Ca -0.01 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.52 1tqj s ILE 198 Cb -0.13 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.56 1tqj s ILE 198 CO -0.03 0.49 0.32 -0.69 -1.23 0.00 0.00 174.94 173.80 1tqj s VAL 199 N 1.25 5.27 0.00 2.92 1.01 -0.44 -0.35 120.40 130.07 1tqj s VAL 199 Ca 0.03 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1tqj s VAL 199 Cb -0.14 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1tqj s VAL 199 CO -0.07 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.38 1tqj s ALA 200 N 0.28 0.46 0.00 5.51 0.00 -1.22 -4.41 121.76 122.38 1tqj s ALA 200 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1tqj s ALA 200 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1tqj s ALA 200 CO 0.06 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1tqj n GLY 201 N 2.77 0.33 0.37 0.00 0.00 -1.26 -0.57 105.19 106.82 1tqj n GLY 201 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1tqj n GLY 201 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tqj h SER 202 N 0.00 0.66 -0.02 1.61 4.64 -1.89 -1.09 113.55 117.46 1tqj h SER 202 Ca 0.00 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1tqj h SER 202 Cb 0.00 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1tqj h SER 202 CO 0.00 0.37 0.06 0.00 -0.87 0.00 0.00 176.83 176.39 1tqj h ALA 203 N 1.60 1.23 0.00 5.18 0.00 -1.88 -0.50 119.26 124.89 1tqj h ALA 203 Ca 0.40 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 1tqj h ALA 203 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1tqj h ALA 203 CO -0.17 -0.08 -1.47 0.28 0.00 0.00 0.00 179.25 177.82 1tqj n VAL 204 N -3.29 1.50 0.24 0.00 0.31 -0.49 -4.30 118.33 112.31 1tqj n VAL 204 Ca -0.02 -0.02 0.13 0.00 -0.01 0.00 0.00 64.34 64.42 1tqj n VAL 204 Cb 0.14 -2.20 0.44 0.00 -0.91 0.00 0.00 33.84 31.31 1tqj n VAL 204 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1tqj h PHE 205 N -0.99 0.00 -0.13 3.52 0.04 -1.31 -2.09 116.94 115.98 1tqj h PHE 205 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1tqj h PHE 205 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1tqj h PHE 205 CO -0.32 0.09 0.00 0.09 -0.60 0.00 0.00 178.31 177.57 1tqj n ASN 206 N -3.17 2.02 -4.82 2.17 3.02 -0.20 -4.96 115.26 109.32 1tqj n ASN 206 Ca 0.02 -1.72 -0.33 0.00 -0.03 0.00 0.00 54.58 52.52 1tqj n ASN 206 Cb 0.43 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1tqj n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tqj s ALA 207 N -1.85 2.97 0.14 5.41 0.00 -0.79 -4.96 121.76 122.69 1tqj s ALA 207 Ca 0.34 0.33 0.30 0.00 0.00 0.00 0.00 51.96 52.93 1tqj s ALA 207 Cb 0.20 -3.17 1.22 0.00 0.00 0.00 0.00 23.12 21.37 1tqj s ALA 207 CO 0.30 -0.28 1.94 -1.00 0.00 0.00 0.00 175.76 176.72 1tqj h PRO 208 N 1.13 0.00 -2.43 0.00 0.13 -1.93 -3.42 132.00 125.49 1tqj h PRO 208 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 1tqj h PRO 208 Cb 1.20 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.98 1tqj h PRO 208 CO 0.60 0.09 -0.58 1.21 -0.23 0.00 0.00 178.00 179.09 1tqj s ASN 209 N -5.91 1.02 0.20 1.44 3.84 -1.26 -5.05 114.94 109.22 1tqj s ASN 209 Ca 0.01 -0.04 -0.09 0.00 0.21 0.00 0.00 52.86 52.94 1tqj s ASN 209 Cb 0.10 0.57 0.13 0.00 -0.55 0.00 0.00 41.25 41.50 1tqj s ASN 209 CO 0.58 -0.31 1.77 1.88 -2.79 0.00 0.00 177.10 178.23 1tqj h TYR 210 N 8.28 1.09 -0.64 0.43 0.05 -1.84 -1.88 116.97 122.47 1tqj h TYR 210 Ca -0.17 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.50 1tqj h TYR 210 Cb 1.15 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1tqj h TYR 210 CO 0.16 0.83 0.26 0.00 -1.05 0.00 0.00 178.16 178.36 1tqj h ALA 211 N 1.15 0.83 -0.49 3.88 0.00 -1.92 -0.66 119.26 122.05 1tqj h ALA 211 Ca 0.25 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1tqj h ALA 211 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1tqj h ALA 211 CO -0.02 0.43 -0.18 0.93 0.00 0.00 0.00 179.25 180.41 1tqj h GLU 212 N 0.89 0.97 -0.46 0.00 5.08 -1.81 -1.04 114.58 118.21 1tqj h GLU 212 Ca 0.21 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1tqj h GLU 212 Cb 0.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1tqj h GLU 212 CO -0.02 1.06 0.04 0.00 -1.00 0.00 0.00 179.01 179.09 1tqj h ALA 213 N 0.94 0.62 -0.56 3.43 0.00 -1.05 -0.37 119.26 122.28 1tqj h ALA 213 Ca 0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1tqj h ALA 213 Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1tqj h ALA 213 CO 0.06 0.38 0.10 0.82 0.00 0.00 0.00 179.25 180.61 1tqj h ILE 214 N 0.65 1.25 -0.38 0.00 2.04 -1.01 -1.32 117.51 118.74 1tqj h ILE 214 Ca 0.14 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1tqj h ILE 214 Cb 0.44 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1tqj h ILE 214 CO 0.02 0.34 -0.10 0.00 0.00 0.00 0.00 178.15 178.41 1tqj h ALA 215 N 1.00 1.12 -0.50 1.87 0.00 -1.14 -1.28 119.26 120.33 1tqj h ALA 215 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1tqj h ALA 215 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tqj h ALA 215 CO 0.01 0.55 -0.04 0.78 0.00 0.00 0.00 179.25 180.55 1tqj h GLY 216 N 0.96 0.95 0.60 0.00 0.00 -0.66 -0.19 103.07 104.72 1tqj h GLY 216 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1tqj h GLY 216 CO 0.03 0.63 -0.04 -2.08 0.00 0.00 0.00 176.54 175.08 1tqj h VAL 217 N 0.80 1.36 -0.83 4.60 2.07 -1.01 -2.45 116.25 120.79 1tqj h VAL 217 Ca 0.14 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1tqj h VAL 217 Cb 0.54 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1tqj h VAL 217 CO 0.03 0.31 0.42 -0.09 0.02 0.00 0.00 177.57 178.26 1tqj h ARG 218 N -0.33 1.19 -0.44 1.57 2.43 -0.99 -2.79 114.38 115.01 1tqj h ARG 218 Ca 0.01 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 1tqj h ARG 218 Cb 0.53 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1tqj h ARG 218 CO 0.01 0.90 0.07 0.09 -1.51 0.00 0.00 179.97 179.53 1tqj n ASN 219 N -4.34 3.79 -4.74 -3.80 3.02 -0.10 -5.00 115.26 104.09 1tqj n ASN 219 Ca 0.08 -3.29 -0.42 0.00 -0.03 0.00 0.00 54.58 50.92 1tqj n ASN 219 Cb 0.13 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1tqj n ASN 219 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1tqj s SER 220 N -1.82 6.36 0.07 6.41 0.15 -0.92 -4.95 113.70 118.99 1tqj s SER 220 Ca 0.47 2.93 0.04 0.00 0.70 0.00 0.00 55.95 60.09 1tqj s SER 220 Cb 0.39 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1tqj s SER 220 CO 0.08 -0.95 -0.11 -0.54 1.20 0.00 0.00 173.24 172.92 1tqj s LYS 221 N 0.19 0.76 0.42 5.44 1.02 -1.26 -4.31 119.74 122.00 1tqj s LYS 221 Ca 0.68 -0.98 -0.25 0.00 0.02 0.00 0.00 55.97 55.44 1tqj s LYS 221 Cb -0.49 -0.58 -0.10 0.00 -0.52 0.00 0.00 37.83 36.14 1tqj s LYS 221 CO 0.42 0.11 1.15 2.89 -0.92 0.00 0.00 175.35 179.00 1tqj n ARG 222 N 1.05 1.66 0.00 1.68 -4.01 -1.26 -4.85 116.66 110.93 1tqj n ARG 222 Ca -0.20 0.59 0.15 0.00 -1.04 0.00 0.00 57.85 57.36 1tqj n ARG 222 Cb 0.56 -2.23 0.79 0.00 -3.04 0.00 0.00 32.46 28.54 1tqj n ARG 222 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24