#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqh s HIS 0 N 0.00 2.87 0.58 1.61 0.09 -1.26 -4.67 115.29 114.50 3mqh s HIS 0 Ca 0.00 0.49 -0.16 0.00 -0.00 0.00 0.00 55.06 55.39 3mqh s HIS 0 Cb 0.00 -3.98 -0.04 0.00 -0.00 0.00 0.00 32.58 28.56 3mqh s HIS 0 CO 0.00 -3.71 1.05 0.00 -0.00 0.00 0.00 174.74 172.08 3mqh s MET 1 N 1.52 3.41 0.32 1.40 0.00 -1.26 -1.31 119.30 123.39 3mqh s MET 1 Ca 0.72 1.21 -0.27 0.00 0.00 0.00 0.00 55.69 57.36 3mqh s MET 1 Cb -0.44 -2.05 -0.13 0.00 0.00 0.00 0.00 34.83 32.21 3mqh s MET 1 CO 0.32 -0.74 0.91 0.00 0.00 0.00 0.00 175.02 175.51 3mqh n ALA 2 N -1.87 -0.54 -2.73 3.16 0.00 -1.26 -4.32 120.51 112.95 3mqh n ALA 2 Ca 0.09 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3mqh n ALA 2 Cb 0.53 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 3mqh n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mqh s THR 3 N -1.15 5.34 -0.16 0.00 -4.23 -0.41 -4.95 115.64 110.08 3mqh s THR 3 Ca 0.60 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 3mqh s THR 3 Cb -0.68 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 69.64 3mqh s THR 3 CO 0.59 0.48 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.40 3mqh s ILE 4 N -0.12 1.50 0.43 2.99 1.01 -1.26 -0.72 121.20 125.02 3mqh s ILE 4 Ca 0.15 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 3mqh s ILE 4 Cb -0.13 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 3mqh s ILE 4 CO 0.04 0.34 1.26 1.57 0.00 0.00 0.00 174.94 178.15 3mqh n HIS 5 N 4.78 2.08 0.30 3.97 -0.00 0.66 -4.85 115.22 122.15 3mqh n HIS 5 Ca -0.15 0.50 0.18 0.00 -0.00 0.00 0.00 57.72 58.25 3mqh n HIS 5 Cb 0.49 -2.37 0.98 0.00 -0.00 0.00 0.00 29.99 29.09 3mqh n HIS 5 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mqh h PRO 6 N 2.02 0.00 -0.00 1.57 0.11 -1.93 -1.11 132.00 132.66 3mqh h PRO 6 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mqh h PRO 6 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3mqh h PRO 6 CO 0.60 0.03 -0.09 0.25 -0.21 0.00 0.00 178.00 178.57 3mqh n THR 7 N -3.41 0.00 -2.20 -1.15 -2.24 -1.26 -4.88 114.28 99.14 3mqh n THR 7 Ca -0.02 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 3mqh n THR 7 Cb 0.14 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 3mqh n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqh s ALA 8 N -2.66 3.16 -0.22 6.98 0.00 -0.42 -3.72 121.76 124.88 3mqh s ALA 8 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3mqh s ALA 8 Cb 0.20 -2.98 0.06 0.00 0.00 0.00 0.00 23.12 20.39 3mqh s ALA 8 CO 0.50 -0.46 -0.04 0.42 0.00 0.00 0.00 175.76 176.18 3mqh s ILE 9 N -2.90 1.32 -0.34 0.00 1.01 0.47 -4.93 121.20 115.84 3mqh s ILE 9 Ca 0.55 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 3mqh s ILE 9 Cb -0.11 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.78 3mqh s ILE 9 CO 0.45 -0.10 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 3mqh s VAL 10 N 1.49 3.70 0.50 2.92 1.01 -1.26 -1.27 120.40 127.49 3mqh s VAL 10 Ca -0.04 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 3mqh s VAL 10 Cb -0.18 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3mqh s VAL 10 CO -0.07 -0.17 1.08 -1.81 0.00 0.00 0.00 175.10 174.13 3mqh s ASP 11 N 1.40 6.13 0.19 3.32 1.01 -0.25 -4.93 116.67 123.53 3mqh s ASP 11 Ca -0.02 2.06 -0.33 0.00 0.71 0.00 0.00 52.55 54.97 3mqh s ASP 11 Cb -0.20 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.02 3mqh s ASP 11 CO 0.02 -0.93 1.41 1.21 0.21 0.00 0.00 175.17 177.09 3mqh n GLU 12 N -1.00 1.81 0.00 8.23 2.13 -1.26 -2.18 120.64 128.37 3mqh n GLU 12 Ca 0.10 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3mqh n GLU 12 Cb 0.51 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.91 3mqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mqh n GLY 13 N 2.55 2.50 3.77 8.31 0.00 -1.26 -4.37 105.19 116.68 3mqh n GLY 13 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3mqh n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 14 N -2.40 3.19 -0.21 4.61 0.00 -0.75 -4.69 121.76 121.51 3mqh s ALA 14 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 3mqh s ALA 14 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3mqh s ALA 14 CO 0.00 -0.65 -0.03 1.03 0.00 0.00 0.00 175.76 176.11 3mqh s ARG 15 N -2.27 3.48 -0.11 0.00 0.52 -0.67 -5.02 118.95 114.88 3mqh s ARG 15 Ca 0.57 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3mqh s ARG 15 Cb -0.34 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.14 3mqh s ARG 15 CO 0.43 -0.08 -0.09 0.42 0.02 0.00 0.00 175.30 176.00 3mqh s ILE 16 N 1.19 1.12 0.82 1.52 1.01 -1.26 -0.14 121.20 125.46 3mqh s ILE 16 Ca 0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 3mqh s ILE 16 Cb -0.14 -1.10 0.08 0.00 0.01 0.00 0.00 42.46 41.31 3mqh s ILE 16 CO -0.00 0.38 1.09 -0.83 0.00 0.00 0.00 174.94 175.58 3mqh s GLY 17 N 1.52 1.62 0.46 6.18 0.00 -0.12 -4.61 107.32 112.38 3mqh s GLY 17 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 3mqh s GLY 17 CO -0.07 0.29 0.99 0.00 0.00 0.00 0.00 173.10 174.32 3mqh n ALA 18 N -3.55 0.18 -0.96 3.20 0.00 -1.26 -2.61 120.51 115.51 3mqh n ALA 18 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3mqh n ALA 18 Cb 0.56 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3mqh n ALA 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mqh n HIS 19 N -0.78 0.00 -2.17 0.00 8.25 -0.43 -0.85 115.22 119.24 3mqh n HIS 19 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 3mqh n HIS 19 Cb 0.41 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 3mqh n HIS 19 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mqh s SER 20 N -2.64 6.36 -0.09 0.41 0.01 -1.07 -3.96 113.70 112.72 3mqh s SER 20 Ca 0.00 1.55 0.01 0.00 1.31 0.00 0.00 55.95 58.82 3mqh s SER 20 Cb 0.00 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3mqh s SER 20 CO 0.00 -0.77 -0.08 -0.13 0.41 0.00 0.00 173.24 172.66 3mqh s ARG 21 N -4.45 1.45 -0.18 12.44 0.52 -0.02 -1.28 118.95 127.43 3mqh s ARG 21 Ca 0.58 -0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.51 3mqh s ARG 21 Cb -0.11 -1.40 0.01 0.00 0.52 0.00 0.00 34.95 33.97 3mqh s ARG 21 CO 0.40 -0.14 -0.15 0.42 0.02 0.00 0.00 175.30 175.85 3mqh s ILE 22 N 1.25 2.56 0.00 1.52 -1.09 0.10 -1.19 121.20 124.35 3mqh s ILE 22 Ca -0.04 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3mqh s ILE 22 Cb -0.14 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 3mqh s ILE 22 CO -0.03 0.50 0.00 0.79 -1.23 0.00 0.00 174.94 174.97 3mqh n TRP 23 N 4.52 -0.47 -1.97 3.97 7.02 -0.56 -0.25 117.44 129.70 3mqh n TRP 23 Ca -0.20 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 3mqh n TRP 23 Cb 0.51 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 3mqh n TRP 23 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3mqh s HIS 24 N 1.82 3.00 -1.51 -5.99 3.76 -1.26 -3.16 115.29 111.95 3mqh s HIS 24 Ca 0.00 0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 55.68 3mqh s HIS 24 Cb 0.00 -3.87 0.08 0.00 1.11 0.00 0.00 32.58 29.90 3mqh s HIS 24 CO 0.00 -2.95 0.94 0.91 -0.85 0.00 0.00 174.74 172.80 3mqh n TRP 25 N 2.71 -2.28 -2.94 1.40 8.01 -1.24 -1.69 117.44 121.40 3mqh n TRP 25 Ca 0.09 0.86 -0.39 0.00 -1.31 0.00 0.00 57.50 56.74 3mqh n TRP 25 Cb 0.39 -3.97 -0.06 0.00 -2.01 0.00 0.00 31.31 25.66 3mqh n TRP 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mqh s VAL 26 N -3.26 4.32 -0.17 -0.99 1.01 -1.19 -3.43 120.40 116.69 3mqh s VAL 26 Ca 0.63 1.76 0.01 0.00 0.00 0.00 0.00 61.98 64.39 3mqh s VAL 26 Cb -0.31 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3mqh s VAL 26 CO 0.78 0.50 -0.20 -2.28 0.00 0.00 0.00 175.10 173.91 3mqh s HIS 27 N -1.18 2.66 -0.14 5.22 2.46 -0.74 -0.39 115.29 123.18 3mqh s HIS 27 Ca 0.37 -1.52 0.01 0.00 0.47 0.00 0.00 55.06 54.39 3mqh s HIS 27 Cb -0.23 -1.85 -0.01 0.00 -0.13 0.00 0.00 32.58 30.37 3mqh s HIS 27 CO 0.27 -0.74 -0.16 0.42 -2.47 0.00 0.00 174.74 172.06 3mqh s ILE 28 N 1.21 2.69 0.69 0.89 1.01 -0.40 -1.34 121.20 125.95 3mqh s ILE 28 Ca 0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3mqh s ILE 28 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3mqh s ILE 28 CO -0.10 0.52 1.07 0.00 0.00 0.00 0.00 174.94 176.43 3mqh h GLY 30 N -0.60 0.00 1.33 0.00 0.00 -1.76 -2.36 103.07 99.68 3mqh h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mqh h GLY 30 CO 0.62 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 177.42 3mqh n GLY 31 N 0.21 -1.35 3.76 4.60 0.00 -1.26 -1.81 105.19 109.33 3mqh n GLY 31 Ca 0.02 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3mqh n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 32 N -3.02 3.05 -0.16 4.61 0.00 -0.89 -4.64 121.76 120.72 3mqh s ALA 32 Ca 0.11 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3mqh s ALA 32 Cb 0.17 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3mqh s ALA 32 CO 0.65 -0.97 -0.18 -1.21 0.00 0.00 0.00 175.76 174.04 3mqh s GLU 33 N -2.57 2.74 -0.04 0.00 2.02 -0.82 -1.67 118.70 118.35 3mqh s GLU 33 Ca 0.63 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.93 3mqh s GLU 33 Cb -0.37 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 3mqh s GLU 33 CO 0.45 -0.16 -0.18 0.42 0.02 0.00 0.00 175.26 175.82 3mqh s ILE 34 N 1.20 1.49 0.00 -1.63 1.01 0.80 -0.80 121.20 123.27 3mqh s ILE 34 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3mqh s ILE 34 Cb -0.14 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3mqh s ILE 34 CO -0.09 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3mqh n GLY 35 N 3.02 0.04 3.83 6.18 0.00 -0.34 -0.94 105.19 116.97 3mqh n GLY 35 Ca -0.17 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 3mqh n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqh s GLU 36 N 0.60 4.16 -1.17 1.61 2.02 -1.26 -2.06 118.70 122.60 3mqh s GLU 36 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 3mqh s GLU 36 Cb 0.00 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3mqh s GLU 36 CO 0.00 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3mqh n GLY 37 N 0.56 1.05 3.89 -1.39 0.00 -0.03 -0.79 105.19 108.48 3mqh n GLY 37 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3mqh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s SER 39 N -4.21 1.29 -0.21 0.00 0.15 -0.58 -0.84 113.70 109.30 3mqh s SER 39 Ca 0.54 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.01 3mqh s SER 39 Cb -0.11 -0.58 0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3mqh s SER 39 CO 0.50 -0.04 -0.14 -0.76 1.20 0.00 0.00 173.24 174.00 3mqh s LEU 40 N 0.93 2.57 0.00 3.45 1.02 -0.33 -0.21 118.68 126.11 3mqh s LEU 40 Ca -0.11 -0.95 -0.08 0.00 0.02 0.00 0.00 54.13 53.01 3mqh s LEU 40 Cb -0.15 -1.41 0.11 0.00 0.02 0.00 0.00 46.19 44.76 3mqh s LEU 40 CO 0.00 -0.11 0.62 0.61 0.02 0.00 0.00 176.35 177.50 3mqh n GLY 41 N 4.59 -1.38 3.63 -3.19 0.00 -0.04 -1.50 105.19 107.30 3mqh n GLY 41 Ca -0.17 -1.68 -0.48 0.00 0.00 0.00 0.00 46.02 43.70 3mqh n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mqh n GLN 42 N -2.36 1.66 -1.29 1.61 7.27 -1.26 -2.28 117.38 120.73 3mqh n GLN 42 Ca 0.08 0.59 -0.10 0.00 0.07 0.00 0.00 57.00 57.64 3mqh n GLN 42 Cb 0.27 -2.23 -0.04 0.00 2.41 0.00 0.00 30.24 30.64 3mqh n GLN 42 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3mqh n ASN 43 N 2.49 -4.83 -4.75 1.69 5.15 -0.68 -1.41 115.26 112.92 3mqh n ASN 43 Ca 0.15 0.24 -0.35 0.00 -0.60 0.00 0.00 54.58 54.02 3mqh n ASN 43 Cb 0.27 -3.20 0.05 0.00 -0.53 0.00 0.00 39.78 36.37 3mqh n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mqh s VAL 44 N -2.15 2.63 -0.02 3.44 1.01 -0.97 -4.36 120.40 119.98 3mqh s VAL 44 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3mqh s VAL 44 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3mqh s VAL 44 CO 0.00 -0.12 -0.18 0.12 0.00 0.00 0.00 175.10 174.92 3mqh s PHE 45 N -1.80 1.62 -0.07 5.22 5.36 -0.78 -1.79 117.98 125.75 3mqh s PHE 45 Ca 0.75 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 3mqh s PHE 45 Cb -0.29 -1.06 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 3mqh s PHE 45 CO 0.37 -0.06 -0.09 0.08 -1.46 0.00 0.00 175.22 174.07 3mqh s VAL 46 N -0.31 0.89 0.47 3.12 1.01 -0.45 -0.29 120.40 124.84 3mqh s VAL 46 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3mqh s VAL 46 Cb -0.08 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.55 3mqh s VAL 46 CO -0.00 0.31 0.64 0.61 0.00 0.00 0.00 175.10 176.66 3mqh n GLY 47 N 4.10 -1.25 0.10 4.51 0.00 -0.25 -0.86 105.19 111.54 3mqh n GLY 47 Ca -0.21 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 3mqh n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mqh h ASN 48 N -0.83 0.25 -1.41 1.61 2.35 -1.90 -3.33 115.58 112.33 3mqh h ASN 48 Ca -0.21 -0.73 -0.76 0.00 -0.55 0.00 0.00 56.30 54.05 3mqh h ASN 48 Cb 0.58 -0.08 -0.15 0.00 0.05 0.00 0.00 38.32 38.72 3mqh h ASN 48 CO 0.15 0.95 2.09 -1.14 -1.65 0.00 0.00 177.43 177.83 3mqh n ARG 49 N -4.50 4.18 -4.10 0.81 0.63 -1.26 -2.90 116.66 109.52 3mqh n ARG 49 Ca -0.09 -3.60 -0.18 0.00 -0.92 0.00 0.00 57.85 53.05 3mqh n ARG 49 Cb 0.49 -2.75 -0.16 0.00 0.45 0.00 0.00 32.46 30.49 3mqh n ARG 49 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 50 N -0.67 0.40 -0.10 5.15 1.01 -1.26 -0.77 120.40 124.16 3mqh s VAL 50 Ca 0.45 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.39 3mqh s VAL 50 Cb 0.14 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3mqh s VAL 50 CO -0.04 0.18 -0.20 -0.13 0.00 0.00 0.00 175.10 174.92 3mqh s ARG 51 N 0.76 2.61 -0.08 2.72 0.52 -1.22 -1.94 118.95 122.32 3mqh s ARG 51 Ca -0.09 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3mqh s ARG 51 Cb -0.12 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.30 3mqh s ARG 51 CO -0.00 0.08 -0.18 0.42 0.02 0.00 0.00 175.30 175.64 3mqh s ILE 52 N 0.59 1.56 0.00 1.52 1.01 0.02 -0.89 121.20 125.02 3mqh s ILE 52 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3mqh s ILE 52 Cb -0.17 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3mqh s ILE 52 CO 0.04 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3mqh n GLY 53 N 3.69 -0.50 3.85 6.18 0.00 0.55 -1.20 105.19 117.75 3mqh n GLY 53 Ca -0.21 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 3mqh n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqh s ASN 54 N -1.23 6.79 -1.36 1.61 0.01 -1.26 -1.81 114.94 117.70 3mqh s ASN 54 Ca 0.00 1.00 -0.04 0.00 -0.71 0.00 0.00 52.86 53.11 3mqh s ASN 54 Cb 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.40 3mqh s ASN 54 CO 0.00 0.16 0.55 -1.14 -1.51 0.00 0.00 177.10 175.16 3mqh n ARG 55 N 1.02 -4.40 -3.08 -0.60 0.63 0.03 -0.93 116.66 109.33 3mqh n ARG 55 Ca -0.07 0.80 -0.40 0.00 -0.92 0.00 0.00 57.85 57.25 3mqh n ARG 55 Cb 0.52 -5.42 -0.05 0.00 0.45 0.00 0.00 32.46 27.96 3mqh n ARG 55 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 56 N -3.11 5.02 -0.26 5.15 1.01 -1.26 -3.50 120.40 123.45 3mqh s VAL 56 Ca 0.27 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 3mqh s VAL 56 Cb -0.12 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3mqh s VAL 56 CO 0.34 0.17 0.04 -0.54 0.00 0.00 0.00 175.10 175.11 3mqh s LYS 57 N 1.44 3.29 -0.23 2.72 1.02 -0.72 -1.52 119.74 125.75 3mqh s LYS 57 Ca 0.33 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 3mqh s LYS 57 Cb -0.16 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 3mqh s LYS 57 CO 0.13 -0.32 -0.11 0.42 -0.92 0.00 0.00 175.35 174.55 3mqh s ILE 58 N 1.52 2.55 0.97 2.17 1.01 0.71 -0.73 121.20 129.39 3mqh s ILE 58 Ca 0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 3mqh s ILE 58 Cb -0.16 -2.24 0.19 0.00 0.01 0.00 0.00 42.46 40.26 3mqh s ILE 58 CO 0.01 0.30 1.27 -1.10 0.00 0.00 0.00 174.94 175.41 3mqh s GLN 59 N 1.29 0.61 0.54 2.79 -1.52 -0.35 -0.86 119.66 122.16 3mqh s GLN 59 Ca 0.01 -0.26 -0.20 0.00 -1.95 0.00 0.00 55.36 52.96 3mqh s GLN 59 Cb -0.16 -1.83 -0.07 0.00 -0.22 0.00 0.00 33.01 30.74 3mqh s GLN 59 CO -0.07 -2.46 0.93 0.09 -0.25 0.00 0.00 175.29 173.53 3mqh n ASN 60 N -3.83 0.73 -1.13 5.90 3.02 -1.26 -3.62 115.26 115.06 3mqh n ASN 60 Ca 0.13 0.87 -0.11 0.00 -0.03 0.00 0.00 54.58 55.44 3mqh n ASN 60 Cb 0.60 -1.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.39 3mqh n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mqh n ASN 61 N -0.24 -3.91 -4.65 6.41 3.02 -0.50 -0.88 115.26 114.51 3mqh n ASN 61 Ca 0.12 0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.40 3mqh n ASN 61 Cb 0.45 -2.87 -0.10 0.00 -0.61 0.00 0.00 39.78 36.65 3mqh n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqh s VAL 62 N -2.51 5.27 -0.41 2.41 1.01 -1.24 -4.19 120.40 120.74 3mqh s VAL 62 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3mqh s VAL 62 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3mqh s VAL 62 CO 0.00 0.35 0.28 -0.44 0.00 0.00 0.00 175.10 175.30 3mqh s SER 63 N 1.03 5.98 -0.73 3.32 0.01 -1.26 -1.87 113.70 120.19 3mqh s SER 63 Ca 0.07 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 3mqh s SER 63 Cb -0.13 -2.11 0.14 0.00 0.21 0.00 0.00 66.02 64.12 3mqh s SER 63 CO 0.04 -0.47 0.81 -0.69 0.41 0.00 0.00 173.24 173.35 3mqh s VAL 64 N 1.62 5.01 0.72 3.43 1.01 0.60 -4.22 120.40 128.57 3mqh s VAL 64 Ca 0.04 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 3mqh s VAL 64 Cb -0.20 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.65 3mqh s VAL 64 CO 0.08 -1.19 1.10 -0.31 0.00 0.00 0.00 175.10 174.78 3mqh s TYR 65 N 2.03 3.25 0.15 5.22 2.02 -1.26 -1.09 117.35 127.67 3mqh s TYR 65 Ca 0.18 1.06 -0.33 0.00 -0.37 0.00 0.00 57.07 57.61 3mqh s TYR 65 Cb -0.16 -3.08 -0.17 0.00 -0.40 0.00 0.00 41.96 38.15 3mqh s TYR 65 CO -0.01 -1.27 1.01 -0.25 -1.57 0.00 0.00 175.55 173.45 3mqh n ASP 66 N -3.07 0.56 0.00 2.29 8.00 -1.26 -1.79 116.55 121.27 3mqh n ASP 66 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3mqh n ASP 66 Cb 0.57 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 3mqh n ASP 66 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mqh n ASN 67 N 1.87 -2.37 -4.75 -2.24 4.13 0.05 -4.73 115.26 107.21 3mqh n ASN 67 Ca 0.16 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.05 3mqh n ASN 67 Cb 0.22 -0.40 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 3mqh n ASN 67 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mqh s VAL 68 N -2.00 5.25 -0.13 2.41 1.01 -0.74 -1.46 120.40 124.73 3mqh s VAL 68 Ca 0.00 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3mqh s VAL 68 Cb 0.00 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3mqh s VAL 68 CO 0.00 0.42 -0.11 -0.36 0.00 0.00 0.00 175.10 175.05 3mqh s PHE 69 N 0.14 1.85 -0.20 5.22 0.08 -0.26 -3.37 117.98 121.44 3mqh s PHE 69 Ca 0.19 -1.00 -0.02 0.00 0.12 0.00 0.00 56.93 56.22 3mqh s PHE 69 Cb -0.14 -1.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3mqh s PHE 69 CO 0.07 -0.60 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.99 3mqh s LEU 70 N 1.59 2.68 0.00 -0.37 1.43 -0.06 -0.94 118.68 123.00 3mqh s LEU 70 Ca 0.05 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 3mqh s LEU 70 Cb -0.13 -1.66 0.23 0.00 0.03 0.00 0.00 46.19 44.66 3mqh s LEU 70 CO -0.10 0.00 1.12 -0.62 0.23 0.00 0.00 176.35 176.99 3mqh n GLU 71 N 4.64 -1.83 -1.88 1.70 1.02 -0.16 -0.33 120.64 123.80 3mqh n GLU 71 Ca -0.19 -1.75 -0.36 0.00 -0.02 0.00 0.00 57.16 54.84 3mqh n GLU 71 Cb 0.51 -1.32 0.05 0.00 -0.02 0.00 0.00 31.44 30.65 3mqh n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mqh s ASP 72 N -4.93 4.95 -1.09 1.62 1.01 -1.26 -3.33 116.67 113.65 3mqh s ASP 72 Ca 0.66 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.33 3mqh s ASP 72 Cb -0.03 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3mqh s ASP 72 CO 0.48 -1.76 0.00 0.47 0.21 0.00 0.00 175.17 174.57 3mqh n ASP 73 N -1.83 -4.41 -4.77 0.27 8.00 -0.11 -1.59 116.55 112.10 3mqh n ASP 73 Ca 0.14 0.25 -0.38 0.00 0.71 0.00 0.00 54.79 55.51 3mqh n ASP 73 Cb 0.50 -2.81 -0.06 0.00 -0.02 0.00 0.00 41.12 38.72 3mqh n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqh s VAL 74 N -2.32 4.17 -0.18 2.53 1.01 -1.21 -3.31 120.40 121.08 3mqh s VAL 74 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 3mqh s VAL 74 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3mqh s VAL 74 CO 0.00 0.23 -0.14 0.12 0.00 0.00 0.00 175.10 175.31 3mqh s PHE 75 N -1.51 2.83 -0.33 5.22 5.36 -0.50 -1.75 117.98 127.30 3mqh s PHE 75 Ca 0.48 -1.27 -0.07 0.00 -0.96 0.00 0.00 56.93 55.12 3mqh s PHE 75 Cb -0.20 -1.96 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3mqh s PHE 75 CO 0.26 -0.64 0.10 0.00 -1.46 0.00 0.00 175.22 173.48 3mqh s GLY 77 N 1.43 1.58 0.18 0.00 0.00 0.68 -1.21 107.32 109.98 3mqh s GLY 77 Ca -0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 44.72 43.85 3mqh s GLY 77 CO 0.03 0.05 1.56 -1.55 0.00 0.00 0.00 173.10 173.19 3mqh n PRO 78 N -3.86 2.20 -1.66 2.90 -0.04 -1.26 -2.03 135.00 131.25 3mqh n PRO 78 Ca 0.07 0.79 -0.19 0.00 -0.04 0.00 0.00 63.50 64.13 3mqh n PRO 78 Cb 0.59 -2.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 3mqh n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mqh n SER 79 N 3.22 -5.29 -4.79 3.54 7.64 -0.06 -1.25 113.62 116.64 3mqh n SER 79 Ca 0.16 0.40 -0.31 0.00 1.01 0.00 0.00 58.87 60.13 3mqh n SER 79 Cb 0.30 -4.43 0.08 0.00 -1.01 0.00 0.00 64.21 59.15 3mqh n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mqh s MET 80 N -3.78 2.31 -0.08 1.43 0.23 -0.86 -3.92 119.30 114.64 3mqh s MET 80 Ca 0.00 0.95 -0.00 0.00 -1.03 0.00 0.00 55.69 55.60 3mqh s MET 80 Cb 0.00 -1.92 0.02 0.00 -1.53 0.00 0.00 34.83 31.40 3mqh s MET 80 CO 0.00 -1.54 -0.04 0.08 -2.03 0.00 0.00 175.02 171.49 3mqh s VAL 81 N -3.00 0.69 0.30 5.16 1.01 0.28 -4.42 120.40 120.41 3mqh s VAL 81 Ca 0.60 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3mqh s VAL 81 Cb -0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3mqh s VAL 81 CO 0.55 0.30 0.45 -0.36 0.00 0.00 0.00 175.10 176.04 3mqh s PHE 82 N 1.56 3.33 0.19 5.22 0.08 -1.26 -1.13 117.98 125.97 3mqh s PHE 82 Ca 0.00 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3mqh s PHE 82 Cb -0.13 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 3mqh s PHE 82 CO -0.04 0.19 0.01 0.95 -0.10 0.00 0.00 175.22 176.23 3mqh s THR 83 N -2.14 0.67 0.00 0.64 -4.23 -1.22 -4.89 115.64 104.47 3mqh s THR 83 Ca 0.39 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3mqh s THR 83 Cb -0.09 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3mqh s THR 83 CO 0.31 -0.41 0.00 -0.46 -0.54 0.00 0.00 174.62 173.53 3mqh n ASN 84 N -0.28 0.13 -4.29 3.99 0.23 -1.26 -4.41 115.26 109.37 3mqh n ASN 84 Ca -0.06 -0.06 -0.33 0.00 -0.53 0.00 0.00 54.58 53.60 3mqh n ASN 84 Cb 0.64 0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 38.33 3mqh n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mqh s VAL 85 N -0.17 2.78 0.17 3.53 1.01 -1.26 -1.41 120.40 125.05 3mqh s VAL 85 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3mqh s VAL 85 Cb 0.00 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.26 3mqh s VAL 85 CO 0.00 0.51 1.64 0.22 0.00 0.00 0.00 175.10 177.48 3mqh h TYR 86 N 7.17 1.08 -2.07 5.22 5.03 -1.89 -3.38 116.97 128.13 3mqh h TYR 86 Ca -0.31 -0.17 -0.53 0.00 2.58 0.00 0.00 58.73 60.30 3mqh h TYR 86 Cb 1.20 -0.29 -0.40 0.00 1.55 0.00 0.00 36.73 38.78 3mqh h TYR 86 CO 0.51 0.95 -1.02 0.27 -1.32 0.00 0.00 178.16 177.55 3mqh n ASN 87 N -4.26 1.61 -4.77 -2.11 6.94 -1.26 -5.03 115.26 106.39 3mqh n ASN 87 Ca 0.03 -3.10 -0.38 0.00 -0.02 0.00 0.00 54.58 51.11 3mqh n ASN 87 Cb 0.31 -0.62 -0.00 0.00 -2.36 0.00 0.00 39.78 37.11 3mqh n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3mqh s PRO 88 N -2.32 3.76 -0.04 -0.53 0.04 -1.26 -5.03 135.00 129.62 3mqh s PRO 88 Ca 0.40 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 3mqh s PRO 88 Cb 0.27 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 32.34 3mqh s PRO 88 CO -0.09 -0.59 0.07 1.03 0.04 0.00 0.00 177.00 177.46 3mqh s ARG 89 N -2.56 -0.02 0.51 4.56 1.81 -1.26 -5.05 118.95 116.94 3mqh s ARG 89 Ca 0.62 0.32 0.15 0.00 -1.72 0.00 0.00 55.73 55.11 3mqh s ARG 89 Cb -0.33 -0.32 1.23 0.00 -0.45 0.00 0.00 34.95 35.08 3mqh s ARG 89 CO 0.40 -0.24 2.14 0.00 -0.68 0.00 0.00 175.30 176.93 3mqh h ALA 90 N 7.77 1.98 0.00 2.13 0.00 -2.03 -1.09 119.26 128.02 3mqh h ALA 90 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mqh h ALA 90 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mqh h ALA 90 CO 0.33 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3mqh h ALA 91 N 1.97 1.00 -3.70 0.00 0.00 -2.02 -3.41 119.26 113.10 3mqh h ALA 91 Ca 0.02 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.27 3mqh h ALA 91 Cb 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.41 3mqh h ALA 91 CO -0.00 0.00 -0.75 0.42 0.00 0.00 0.00 179.25 178.92 3mqh s ILE 92 N -3.28 2.12 0.05 0.00 1.01 -0.41 -5.08 121.20 115.60 3mqh s ILE 92 Ca 0.06 -2.04 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 3mqh s ILE 92 Cb 0.10 -2.47 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 3mqh s ILE 92 CO 0.51 -0.43 1.69 -0.70 0.00 0.00 0.00 174.94 176.01 3mqh s GLU 93 N 1.02 4.19 -0.18 2.79 2.12 -1.26 -4.52 118.70 122.85 3mqh s GLU 93 Ca 0.05 2.34 0.15 0.00 0.36 0.00 0.00 54.97 57.86 3mqh s GLU 93 Cb -0.19 -3.72 0.38 0.00 0.26 0.00 0.00 34.13 30.87 3mqh s GLU 93 CO -0.08 -0.78 1.24 0.54 -0.54 0.00 0.00 175.26 175.64 3mqh n ARG 94 N 6.04 1.60 0.27 4.30 1.74 -1.26 -4.69 116.66 124.67 3mqh n ARG 94 Ca 0.16 -2.95 0.16 0.00 -0.77 0.00 0.00 57.85 54.46 3mqh n ARG 94 Cb 0.41 -1.61 0.90 0.00 -1.02 0.00 0.00 32.46 31.13 3mqh n ARG 94 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3mqh h LYS 95 N 0.65 0.00 -0.01 5.56 1.57 -1.99 0.57 116.57 122.92 3mqh h LYS 95 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mqh h LYS 95 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3mqh h LYS 95 CO 0.06 0.00 -0.04 -1.13 -0.57 0.00 0.00 179.45 177.77 3mqh n SER 96 N -3.81 0.77 -0.26 0.86 3.41 -1.26 -4.06 113.62 109.27 3mqh n SER 96 Ca -0.02 -1.09 0.08 0.00 -0.26 0.00 0.00 58.87 57.58 3mqh n SER 96 Cb 0.16 -0.01 0.14 0.00 -0.26 0.00 0.00 64.21 64.24 3mqh n SER 96 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mqh n GLU 97 N -0.50 2.01 -1.72 4.33 1.02 0.19 -5.04 120.64 120.93 3mqh n GLU 97 Ca 0.19 -2.41 -0.41 0.00 -0.02 0.00 0.00 57.16 54.51 3mqh n GLU 97 Cb 0.26 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3mqh n GLU 97 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mqh n TYR 98 N -0.97 2.42 -4.28 -0.32 4.01 -1.22 -4.80 117.16 112.00 3mqh n TYR 98 Ca 0.14 0.50 -0.32 0.00 -0.16 0.00 0.00 57.90 58.06 3mqh n TYR 98 Cb 0.61 -2.43 -0.09 0.00 -0.31 0.00 0.00 39.34 37.12 3mqh n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mqh s ARG 99 N -2.11 2.77 0.38 -0.72 0.52 -0.50 -5.04 118.95 114.25 3mqh s ARG 99 Ca 0.58 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.91 3mqh s ARG 99 Cb -0.51 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.21 3mqh s ARG 99 CO 0.61 0.62 1.05 -0.51 0.02 0.00 0.00 175.30 177.08 3mqh s ASP 100 N -1.61 6.87 -0.20 0.23 1.01 -1.26 -4.28 116.67 117.43 3mqh s ASP 100 Ca 0.20 2.06 0.01 0.00 0.71 0.00 0.00 52.55 55.53 3mqh s ASP 100 Cb -0.12 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.26 3mqh s ASP 100 CO 0.11 -0.42 -0.16 -0.89 0.21 0.00 0.00 175.17 174.02 3mqh s THR 101 N -1.58 1.98 -0.20 -1.27 2.01 -0.54 -0.56 115.64 115.49 3mqh s THR 101 Ca 0.55 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 3mqh s THR 101 Cb -0.23 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3mqh s THR 101 CO 0.29 0.35 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.89 3mqh s ILE 102 N 1.28 3.44 -0.26 1.82 1.01 -1.10 -1.10 121.20 126.29 3mqh s ILE 102 Ca 0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3mqh s ILE 102 Cb -0.15 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.81 3mqh s ILE 102 CO -0.10 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.55 3mqh s VAL 103 N 1.14 2.92 0.70 2.92 1.01 -0.12 -0.68 120.40 128.29 3mqh s VAL 103 Ca 0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 3mqh s VAL 103 Cb -0.15 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3mqh s VAL 103 CO -0.01 0.14 1.08 -0.13 0.00 0.00 0.00 175.10 176.18 3mqh s ARG 104 N 1.31 2.77 0.13 2.72 1.81 0.12 -0.98 118.95 126.83 3mqh s ARG 104 Ca -0.01 0.37 -0.35 0.00 -1.72 0.00 0.00 55.73 54.02 3mqh s ARG 104 Cb -0.17 -2.04 -0.16 0.00 -0.45 0.00 0.00 34.95 32.12 3mqh s ARG 104 CO -0.04 -1.06 1.28 0.94 -0.68 0.00 0.00 175.30 175.75 3mqh n GLN 105 N -2.99 1.24 -0.35 3.54 7.27 -1.26 -1.83 117.38 122.99 3mqh n GLN 105 Ca 0.07 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.58 3mqh n GLN 105 Cb 0.58 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 31.19 3mqh n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mqh n GLY 106 N 2.34 2.18 3.73 1.69 0.00 -0.62 -1.09 105.19 113.41 3mqh n GLY 106 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3mqh n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh n ALA 107 N 0.39 1.29 -3.49 4.61 0.00 -0.76 -4.01 120.51 118.54 3mqh n ALA 107 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 3mqh n ALA 107 Cb 0.00 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 3mqh n ALA 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mqh s THR 108 N -1.35 2.15 -0.36 0.00 2.01 -0.39 -1.42 115.64 116.28 3mqh s THR 108 Ca 0.79 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3mqh s THR 108 Cb -0.39 -1.85 0.05 0.00 0.01 0.00 0.00 72.50 70.32 3mqh s THR 108 CO 0.43 0.55 0.14 -0.76 -0.69 0.00 0.00 174.62 174.29 3mqh s LEU 109 N 0.65 4.53 0.84 4.42 1.43 0.40 -0.91 118.68 130.05 3mqh s LEU 109 Ca -0.11 -1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 3mqh s LEU 109 Cb -0.16 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.27 3mqh s LEU 109 CO 0.02 -0.38 1.13 -0.83 0.23 0.00 0.00 176.35 176.52 3mqh s GLY 110 N 1.56 1.76 0.09 -3.19 0.00 0.35 -0.23 107.32 107.66 3mqh s GLY 110 Ca -0.00 0.52 -0.36 0.00 0.00 0.00 0.00 44.72 44.87 3mqh s GLY 110 CO 0.02 0.91 1.33 0.00 0.00 0.00 0.00 173.10 175.36 3mqh n ALA 111 N -3.82 -0.98 -1.27 3.20 0.00 -1.26 -1.60 120.51 114.78 3mqh n ALA 111 Ca 0.11 0.51 -0.09 0.00 0.00 0.00 0.00 53.44 53.97 3mqh n ALA 111 Cb 0.52 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 3mqh n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mqh n ASN 112 N 2.48 -5.03 -4.77 0.00 2.85 -0.38 -0.64 115.26 109.77 3mqh n ASN 112 Ca 0.18 0.23 -0.29 0.00 -0.11 0.00 0.00 54.58 54.59 3mqh n ASN 112 Cb 0.19 -3.36 0.13 0.00 1.24 0.00 0.00 39.78 37.99 3mqh n ASN 112 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mqh s THR 114 N -3.17 0.25 -0.20 0.00 2.01 -0.24 -0.56 115.64 113.73 3mqh s THR 114 Ca 0.63 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.52 3mqh s THR 114 Cb -0.16 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.16 3mqh s THR 114 CO 0.55 0.07 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 3mqh s VAL 115 N -0.04 2.11 0.07 3.82 1.01 -0.29 -0.39 120.40 126.69 3mqh s VAL 115 Ca 0.01 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 3mqh s VAL 115 Cb -0.02 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 3mqh s VAL 115 CO -0.00 0.40 1.37 -0.69 0.00 0.00 0.00 175.10 176.18 3mqh s VAL 116 N 1.25 3.54 0.53 2.92 1.01 0.26 -3.40 120.40 126.51 3mqh s VAL 116 Ca 0.02 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 3mqh s VAL 116 Cb -0.15 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3mqh s VAL 116 CO -0.11 0.05 1.15 0.00 0.00 0.00 0.00 175.10 176.19 3mqh n GLY 118 N 1.02 2.71 3.80 0.00 0.00 0.27 -4.87 105.19 108.13 3mqh n GLY 118 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3mqh n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 119 N -2.50 3.01 -0.16 4.61 0.00 -1.15 -4.88 121.76 120.68 3mqh s ALA 119 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 3mqh s ALA 119 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mqh s ALA 119 CO 0.00 -0.07 -0.00 0.99 0.00 0.00 0.00 175.76 176.68 3mqh s THR 120 N -1.98 4.20 -0.27 0.00 2.01 -1.26 -2.72 115.64 115.62 3mqh s THR 120 Ca 0.62 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.28 3mqh s THR 120 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3mqh s THR 120 CO 0.19 0.49 0.13 -0.63 -0.69 0.00 0.00 174.62 174.10 3mqh s ILE 121 N 0.33 4.78 0.88 1.82 -1.09 0.14 -1.32 121.20 126.74 3mqh s ILE 121 Ca -0.02 -0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 3mqh s ILE 121 Cb -0.13 -3.29 0.12 0.00 -1.58 0.00 0.00 42.46 37.58 3mqh s ILE 121 CO 0.02 0.25 1.11 -0.83 -1.23 0.00 0.00 174.94 174.27 3mqh s GLY 122 N 1.68 1.59 0.10 6.18 0.00 0.35 -0.70 107.32 116.52 3mqh s GLY 122 Ca 0.06 -0.35 -0.34 0.00 0.00 0.00 0.00 44.72 44.09 3mqh s GLY 122 CO 0.07 0.16 1.62 0.54 0.00 0.00 0.00 173.10 175.49 3mqh n ARG 123 N -3.71 2.05 -1.53 2.90 1.74 -1.26 -1.76 116.66 115.09 3mqh n ARG 123 Ca 0.07 0.74 -0.18 0.00 -0.77 0.00 0.00 57.85 57.71 3mqh n ARG 123 Cb 0.58 -2.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.42 3mqh n ARG 123 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mqh n TYR 124 N 3.98 0.00 -0.63 -1.55 4.01 -0.25 -0.37 117.16 122.35 3mqh n TYR 124 Ca 0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.63 3mqh n TYR 124 Cb 0.28 -3.26 0.22 0.00 -0.31 0.00 0.00 39.34 36.27 3mqh n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqh s ALA 125 N -2.58 0.22 -0.15 -0.72 0.00 -0.72 -3.85 121.76 113.96 3mqh s ALA 125 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3mqh s ALA 125 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.87 3mqh s ALA 125 CO 0.00 -3.44 0.12 0.12 0.00 0.00 0.00 175.76 172.55 3mqh s PHE 126 N -2.54 0.06 -0.36 0.00 5.36 0.47 -1.26 117.98 119.70 3mqh s PHE 126 Ca 0.68 -0.07 -0.17 0.00 -0.96 0.00 0.00 56.93 56.40 3mqh s PHE 126 Cb -0.24 -0.57 -0.00 0.00 -0.34 0.00 0.00 43.02 41.87 3mqh s PHE 126 CO 0.62 -0.47 0.45 0.08 -1.46 0.00 0.00 175.22 174.43 3mqh s VAL 127 N 2.19 5.08 0.82 3.12 1.01 -0.09 -1.37 120.40 131.17 3mqh s VAL 127 Ca 0.03 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3mqh s VAL 127 Cb -0.15 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.39 3mqh s VAL 127 CO -0.09 -0.22 1.13 -0.83 0.00 0.00 0.00 175.10 175.10 3mqh s GLY 128 N 1.77 1.81 0.20 4.51 0.00 0.22 -0.50 107.32 115.33 3mqh s GLY 128 Ca 0.15 0.52 -0.32 0.00 0.00 0.00 0.00 44.72 45.07 3mqh s GLY 128 CO 0.13 0.91 1.31 0.00 0.00 0.00 0.00 173.10 175.44 3mqh n ALA 129 N -3.65 0.22 -0.90 3.20 0.00 -1.26 -1.87 120.51 116.25 3mqh n ALA 129 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3mqh n ALA 129 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3mqh n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqh n GLY 130 N 2.18 1.02 3.77 0.00 0.00 0.19 -4.84 105.19 107.51 3mqh n GLY 130 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3mqh n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 131 N -3.69 2.38 -0.29 4.61 0.00 -0.78 -4.72 121.76 119.27 3mqh s ALA 131 Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.34 3mqh s ALA 131 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3mqh s ALA 131 CO 0.00 -1.52 -0.05 0.08 0.00 0.00 0.00 175.76 174.26 3mqh s VAL 132 N -2.71 2.31 -0.18 0.00 1.01 -0.26 -1.08 120.40 119.49 3mqh s VAL 132 Ca 0.63 -1.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 3mqh s VAL 132 Cb -0.18 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3mqh s VAL 132 CO 0.50 -0.18 0.66 -0.69 0.00 0.00 0.00 175.10 175.39 3mqh s VAL 133 N 1.07 5.01 -0.06 2.92 1.01 0.47 -0.35 120.40 130.48 3mqh s VAL 133 Ca -0.04 1.27 0.11 0.00 0.00 0.00 0.00 61.98 63.32 3mqh s VAL 133 Cb -0.20 -3.98 0.19 0.00 0.00 0.00 0.00 36.38 32.39 3mqh s VAL 133 CO -0.05 0.12 1.09 -0.46 0.00 0.00 0.00 175.10 175.79 3mqh n ASN 134 N 4.93 1.02 -3.64 3.32 2.04 -1.26 -0.57 115.26 121.08 3mqh n ASN 134 Ca -0.01 -2.51 -0.10 0.00 -0.44 0.00 0.00 54.58 51.52 3mqh n ASN 134 Cb 0.50 -0.32 -0.04 0.00 -2.53 0.00 0.00 39.78 37.39 3mqh n ASN 134 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 3mqh s LYS 135 N -1.18 1.14 0.46 -3.83 -2.85 -1.26 -4.99 119.74 107.24 3mqh s LYS 135 Ca 0.18 -0.73 -0.23 0.00 -1.00 0.00 0.00 55.97 54.19 3mqh s LYS 135 Cb 0.18 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 36.34 3mqh s LYS 135 CO -0.02 -0.46 1.09 -0.25 0.10 0.00 0.00 175.35 175.80 3mqh n ASP 136 N -0.26 1.57 -4.33 0.03 8.00 -1.26 -4.75 116.55 115.54 3mqh n ASP 136 Ca -0.15 1.00 -0.36 0.00 0.71 0.00 0.00 54.79 56.00 3mqh n ASP 136 Cb 0.64 -1.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.19 3mqh n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqh s VAL 137 N -1.31 3.62 0.83 2.53 1.01 -0.44 -4.98 120.40 121.67 3mqh s VAL 137 Ca 0.66 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3mqh s VAL 137 Cb -0.51 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.25 3mqh s VAL 137 CO 0.55 0.33 1.19 -2.65 0.00 0.00 0.00 175.10 174.51 3mqh n PRO 138 N 4.82 0.07 -1.57 2.72 -0.02 -1.26 -0.50 135.00 139.27 3mqh n PRO 138 Ca -0.17 0.10 -0.49 0.00 -2.02 0.00 0.00 63.50 60.93 3mqh n PRO 138 Cb 0.50 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3mqh n PRO 138 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mqh n ASP 139 N -3.41 1.18 0.00 2.55 8.00 -1.26 -1.51 116.55 122.10 3mqh n ASP 139 Ca 0.13 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3mqh n ASP 139 Cb 0.51 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3mqh n ASP 139 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mqh n PHE 140 N 1.31 0.00 -2.28 1.24 3.01 0.50 -4.54 117.46 116.71 3mqh n PHE 140 Ca 0.15 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.20 3mqh n PHE 140 Cb 0.25 -0.84 -0.03 0.00 -0.01 0.00 0.00 39.48 38.85 3mqh n PHE 140 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mqh s ALA 141 N -2.27 3.49 -0.30 4.37 0.00 -0.57 -0.13 121.76 126.35 3mqh s ALA 141 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 3mqh s ALA 141 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3mqh s ALA 141 CO 0.00 -0.47 0.38 -1.17 0.00 0.00 0.00 175.76 174.50 3mqh s LEU 142 N -0.33 4.20 -0.00 0.00 2.96 -0.45 -0.40 118.68 124.67 3mqh s LEU 142 Ca 0.54 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 3mqh s LEU 142 Cb -0.35 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 3mqh s LEU 142 CO 0.39 -0.26 -0.21 0.68 -1.32 0.00 0.00 176.35 175.63 3mqh s VAL 143 N 2.07 1.65 0.05 1.68 -7.23 -0.47 -0.93 120.40 117.22 3mqh s VAL 143 Ca 0.14 -0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3mqh s VAL 143 Cb -0.16 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3mqh s VAL 143 CO 0.11 0.40 0.04 0.68 -0.31 0.00 0.00 175.10 176.02 3mqh s VAL 144 N -0.56 0.17 0.00 1.32 -7.23 -0.62 -0.61 120.40 112.87 3mqh s VAL 144 Ca 0.08 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3mqh s VAL 144 Cb -0.08 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.74 3mqh s VAL 144 CO -0.00 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 3mqh n GLY 145 N 0.50 1.58 3.03 2.32 0.00 -1.26 -0.92 105.19 110.45 3mqh n GLY 145 Ca -0.17 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 3mqh n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqh s VAL 146 N -1.84 2.25 0.82 1.61 1.01 -1.26 -1.10 120.40 121.89 3mqh s VAL 146 Ca 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 61.98 59.72 3mqh s VAL 146 Cb 0.00 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.89 3mqh s VAL 146 CO 0.00 -0.44 1.13 -2.16 0.00 0.00 0.00 175.10 173.63 3mqh s PRO 147 N 0.96 1.89 0.27 2.72 0.04 -1.26 -5.01 135.00 134.61 3mqh s PRO 147 Ca 0.05 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.18 3mqh s PRO 147 Cb -0.19 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3mqh s PRO 147 CO -0.07 -1.70 1.12 0.00 0.04 0.00 0.00 177.00 176.39 3mqh s ALA 148 N -3.32 3.41 0.04 8.56 0.00 0.53 -4.83 121.76 126.15 3mqh s ALA 148 Ca 0.62 0.92 0.05 0.00 0.00 0.00 0.00 51.96 53.55 3mqh s ALA 148 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3mqh s ALA 148 CO 0.52 -0.21 -0.14 1.03 0.00 0.00 0.00 175.76 176.96 3mqh s ARG 149 N -1.34 0.95 0.01 0.00 1.81 -0.10 -4.85 118.95 115.43 3mqh s ARG 149 Ca 0.46 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 53.38 3mqh s ARG 149 Cb -0.32 -0.97 -0.03 0.00 -0.45 0.00 0.00 34.95 33.17 3mqh s ARG 149 CO 0.41 0.24 1.00 -1.14 -0.68 0.00 0.00 175.30 175.13 3mqh s GLN 150 N -1.19 4.56 0.00 3.54 0.74 -1.26 -1.58 119.66 124.47 3mqh s GLN 150 Ca 0.02 1.46 0.04 0.00 0.05 0.00 0.00 55.36 56.92 3mqh s GLN 150 Cb -0.08 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 3mqh s GLN 150 CO 0.01 -0.05 0.21 0.44 -0.55 0.00 0.00 175.29 175.36 3mqh n ILE 151 N 3.81 0.00 -3.52 -2.34 -5.35 -0.10 -4.98 119.36 106.87 3mqh n ILE 151 Ca 0.06 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3mqh n ILE 151 Cb 0.50 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 3mqh n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mqh n GLY 152 N 0.96 0.71 3.06 3.28 0.00 -1.17 -4.98 105.19 107.05 3mqh n GLY 152 Ca 0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 3mqh n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mqh s TRP 153 N -2.54 1.06 -0.11 1.61 0.52 -1.26 -1.34 118.94 116.88 3mqh s TRP 153 Ca 0.00 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 55.91 3mqh s TRP 153 Cb 0.00 -0.70 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 3mqh s TRP 153 CO 0.00 -0.04 -0.14 -1.64 0.02 0.00 0.00 176.95 175.15 3mqh s MET 154 N -0.19 3.17 0.95 4.98 -1.94 0.81 -0.60 119.30 126.48 3mqh s MET 154 Ca 0.03 -0.70 -0.11 0.00 -1.71 0.00 0.00 55.69 53.20 3mqh s MET 154 Cb -0.05 -2.56 0.16 0.00 2.01 0.00 0.00 34.83 34.39 3mqh s MET 154 CO -0.00 0.30 1.09 -1.54 -0.01 0.00 0.00 175.02 174.86 3mqh s SER 155 N 0.11 2.91 0.27 3.03 1.04 -0.54 -4.68 113.70 115.84 3mqh s SER 155 Ca -0.06 1.67 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3mqh s SER 155 Cb -0.15 -2.31 0.63 0.00 0.10 0.00 0.00 66.02 64.30 3mqh s SER 155 CO 0.05 -3.02 1.69 0.03 0.98 0.00 0.00 173.24 172.96 3mqh h ARG 156 N -1.81 0.32 -0.03 4.02 3.08 -1.90 -0.37 114.38 117.69 3mqh h ARG 156 Ca -0.50 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3mqh h ARG 156 Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 3mqh h ARG 156 CO 0.51 0.21 -0.02 1.25 -1.07 0.00 0.00 179.97 180.85 3mqh h HIS 157 N 0.33 0.04 -0.01 3.04 2.76 -1.99 -3.46 115.15 115.86 3mqh h HIS 157 Ca 0.51 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 3mqh h HIS 157 Cb 0.94 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3mqh h HIS 157 CO -0.20 0.07 0.00 0.41 -1.30 0.00 0.00 177.93 176.91 3mqh n GLY 158 N -1.41 1.15 3.12 5.26 0.00 -0.15 -5.13 105.19 108.03 3mqh n GLY 158 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3mqh n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqh s GLU 159 N -0.21 0.68 0.46 1.61 2.02 -1.26 -4.92 118.70 117.08 3mqh s GLU 159 Ca 0.00 -0.86 -0.25 0.00 0.02 0.00 0.00 54.97 53.88 3mqh s GLU 159 Cb 0.00 -0.57 -0.08 0.00 0.10 0.00 0.00 34.13 33.58 3mqh s GLU 159 CO 0.00 0.12 1.38 -0.65 0.02 0.00 0.00 175.26 176.12 3mqh s GLN 160 N -1.67 3.64 0.16 1.61 -0.21 -1.26 -1.47 119.66 120.47 3mqh s GLN 160 Ca -0.06 2.30 -0.03 0.00 0.02 0.00 0.00 55.36 57.59 3mqh s GLN 160 Cb -0.10 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 3mqh s GLN 160 CO 0.01 -0.81 0.38 -0.51 -2.12 0.00 0.00 175.29 172.24 3mqh s LEU 161 N -2.84 4.25 -1.28 2.90 1.43 0.23 -4.83 118.68 118.54 3mqh s LEU 161 Ca 0.62 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.09 3mqh s LEU 161 Cb -0.41 -3.26 0.11 0.00 0.03 0.00 0.00 46.19 42.66 3mqh s LEU 161 CO 0.52 0.01 1.70 -0.67 0.23 0.00 0.00 176.35 178.14 3mqh n ASP 162 N -0.19 4.94 -3.97 2.29 -0.08 -1.26 -4.64 116.55 113.63 3mqh n ASP 162 Ca -0.03 -2.95 -0.15 0.00 -1.51 0.00 0.00 54.79 50.15 3mqh n ASP 162 Cb 0.52 -1.65 -0.14 0.00 2.34 0.00 0.00 41.12 42.20 3mqh n ASP 162 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3mqh s LEU 163 N 2.59 2.07 0.89 -2.67 1.43 -1.26 -4.66 118.68 117.07 3mqh s LEU 163 Ca 0.48 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 3mqh s LEU 163 Cb 0.03 -0.21 0.13 0.00 0.03 0.00 0.00 46.19 46.17 3mqh s LEU 163 CO 0.03 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.54 3mqh s PRO 164 N -0.45 1.30 0.20 1.29 0.04 -1.26 -4.80 135.00 131.33 3mqh s PRO 164 Ca -0.01 0.65 -0.06 0.00 0.04 0.00 0.00 61.00 61.62 3mqh s PRO 164 Cb -0.04 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.83 3mqh s PRO 164 CO -0.00 -2.17 1.64 -0.07 0.04 0.00 0.00 177.00 176.44 3mqh h LEU 165 N -1.49 0.89 -9.05 -3.56 3.38 -1.96 -3.47 115.31 100.05 3mqh h LEU 165 Ca -0.50 -0.29 -0.44 0.00 0.09 0.00 0.00 57.88 56.74 3mqh h LEU 165 Cb 1.29 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 3mqh h LEU 165 CO 0.57 1.03 -0.65 -0.13 0.09 0.00 0.00 178.44 179.35 3mqh s ARG 166 N -4.77 1.48 1.27 1.13 0.52 -1.26 -4.68 118.95 112.63 3mqh s ARG 166 Ca -0.10 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 3mqh s ARG 166 Cb 0.13 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.76 3mqh s ARG 166 CO 0.84 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.50 3mqh n GLY 167 N -0.53 -0.27 3.11 -3.53 0.00 -1.26 -4.77 105.19 97.94 3mqh n GLY 167 Ca -0.05 -1.53 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3mqh n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqh s ASN 168 N -4.00 1.93 0.16 1.61 0.01 -1.26 -1.22 114.94 112.17 3mqh s ASN 168 Ca 0.00 -0.31 -0.24 0.00 -0.71 0.00 0.00 52.86 51.60 3mqh s ASN 168 Cb 0.00 -0.46 0.08 0.00 0.41 0.00 0.00 41.25 41.27 3mqh s ASN 168 CO 0.00 0.15 1.05 0.00 -1.51 0.00 0.00 177.10 176.78 3mqh s ALA 169 N -0.02 -1.68 0.02 0.60 0.00 -0.39 -4.98 121.76 115.30 3mqh s ALA 169 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3mqh s ALA 169 Cb -0.10 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 3mqh s ALA 169 CO 0.01 -1.06 -0.01 -1.21 0.00 0.00 0.00 175.76 173.49 3mqh s GLU 170 N -2.46 0.35 0.15 0.00 2.02 -1.26 -0.71 118.70 116.78 3mqh s GLU 170 Ca 0.19 -0.63 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 3mqh s GLU 170 Cb -0.02 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.36 3mqh s GLU 170 CO 0.04 -0.06 0.37 0.00 0.02 0.00 0.00 175.26 175.62 3mqh s ALA 171 N -1.62 -0.58 -0.05 5.21 0.00 -0.62 -4.86 121.76 119.23 3mqh s ALA 171 Ca -0.14 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3mqh s ALA 171 Cb -0.09 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3mqh s ALA 171 CO -0.01 -0.66 -0.16 0.99 0.00 0.00 0.00 175.76 175.92 3mqh s THR 172 N -3.87 1.34 0.05 0.00 2.01 -1.26 -0.28 115.64 113.63 3mqh s THR 172 Ca 0.08 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.14 3mqh s THR 172 Cb 0.02 -1.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 3mqh s THR 172 CO -0.07 0.39 1.51 0.00 -0.69 0.00 0.00 174.62 175.77 3mqh h PRO 174 N 7.91 0.00 0.06 0.00 0.13 -1.96 0.91 132.00 139.04 3mqh h PRO 174 Ca -0.40 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.45 3mqh h PRO 174 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3mqh h PRO 174 CO 0.91 0.00 -1.39 0.45 -0.23 0.00 0.00 178.00 177.74 3mqh h HIS 175 N 0.00 0.21 0.00 1.56 3.86 -1.98 -3.40 115.15 115.41 3mqh h HIS 175 Ca 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3mqh h HIS 175 Cb 0.50 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3mqh h HIS 175 CO 0.00 1.18 -0.55 0.25 0.86 0.00 0.00 177.93 179.67 3mqh n THR 176 N -3.34 0.00 -0.91 2.45 -2.24 -1.20 -5.02 114.28 104.02 3mqh n THR 176 Ca -0.11 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3mqh n THR 176 Cb 1.01 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3mqh n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqh n GLY 177 N 1.72 0.34 3.67 3.38 0.00 0.31 -5.01 105.19 109.60 3mqh n GLY 177 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3mqh n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mqh n GLU 178 N -1.35 2.08 -3.79 1.61 1.02 -1.26 -4.66 120.64 114.30 3mqh n GLU 178 Ca 0.00 0.74 -0.36 0.00 -0.02 0.00 0.00 57.16 57.52 3mqh n GLU 178 Cb 0.16 -2.41 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 3mqh n GLU 178 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mqh s ARG 179 N -0.30 3.85 -0.05 3.49 0.52 -1.26 -0.72 118.95 124.47 3mqh s ARG 179 Ca 0.69 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.76 3mqh s ARG 179 Cb -0.64 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 3mqh s ARG 179 CO 0.49 0.52 -0.14 0.71 0.02 0.00 0.00 175.30 176.89 3mqh s TYR 180 N -0.28 2.71 -0.09 -0.53 1.51 0.62 -0.52 117.35 120.76 3mqh s TYR 180 Ca 0.11 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 3mqh s TYR 180 Cb -0.12 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3mqh s TYR 180 CO 0.01 0.16 -0.20 0.42 -1.11 0.00 0.00 175.55 174.83 3mqh s ILE 181 N -0.67 1.80 -0.27 2.71 1.01 0.20 -1.59 121.20 124.39 3mqh s ILE 181 Ca 0.10 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3mqh s ILE 181 Cb -0.11 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3mqh s ILE 181 CO 0.01 0.50 0.17 -0.22 0.00 0.00 0.00 174.94 175.40 3mqh s LEU 182 N 0.49 4.00 -0.16 2.97 2.96 0.11 -1.02 118.68 128.02 3mqh s LEU 182 Ca -0.16 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3mqh s LEU 182 Cb -0.17 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.46 3mqh s LEU 182 CO 0.06 -0.02 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.11 3mqh s THR 183 N 1.60 1.23 -1.50 3.68 2.01 -0.26 -1.26 115.64 121.15 3mqh s THR 183 Ca 0.07 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 3mqh s THR 183 Cb -0.15 -1.35 0.07 0.00 0.01 0.00 0.00 72.50 71.07 3mqh s THR 183 CO 0.09 0.18 0.86 0.47 -0.69 0.00 0.00 174.62 175.54 3mqh n ASP 184 N 4.84 -3.56 -0.25 3.53 10.43 -0.75 -1.40 116.55 129.39 3mqh n ASP 184 Ca -0.13 -0.83 -0.03 0.00 2.57 0.00 0.00 54.79 56.37 3mqh n ASP 184 Cb 0.48 -3.74 -0.01 0.00 1.84 0.00 0.00 41.12 39.68 3mqh n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mqh n GLY 185 N -1.66 0.61 3.23 0.44 0.00 -0.35 -4.74 105.19 102.70 3mqh n GLY 185 Ca -0.05 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3mqh n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqh s VAL 186 N -1.94 2.35 -0.13 1.61 1.01 -0.49 -4.91 120.40 117.89 3mqh s VAL 186 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3mqh s VAL 186 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3mqh s VAL 186 CO 0.00 0.54 0.25 0.00 0.00 0.00 0.00 175.10 175.89 3mqh s ARG 188 N -0.13 0.61 0.10 0.00 1.70 -0.19 -4.78 118.95 116.25 3mqh s ARG 188 Ca 0.16 -1.01 -0.31 0.00 -0.47 0.00 0.00 55.73 54.10 3mqh s ARG 188 Cb -0.13 -0.09 -0.07 0.00 -0.57 0.00 0.00 34.95 34.08 3mqh s ARG 188 CO 0.05 -0.02 1.33 -0.51 -1.08 0.00 0.00 175.30 175.07 3mqh s LEU 189 N -2.31 4.37 0.00 -1.89 1.43 -1.26 -0.63 118.68 118.40 3mqh s LEU 189 Ca -0.01 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 3mqh s LEU 189 Cb -0.01 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3mqh s LEU 189 CO -0.04 -0.60 0.44 0.00 0.23 0.00 0.00 176.35 176.38