#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqh s THR 3 N 0.00 4.59 -0.13 0.00 -4.23 0.15 -4.96 115.64 111.07 3mqh s THR 3 Ca 0.00 -0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3mqh s THR 3 Cb 0.00 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3mqh s THR 3 CO 0.00 0.42 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.72 3mqh s ILE 4 N 0.82 1.53 0.42 2.99 1.01 -1.26 -1.09 121.20 125.62 3mqh s ILE 4 Ca 0.03 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 3mqh s ILE 4 Cb -0.14 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 3mqh s ILE 4 CO 0.02 0.45 1.40 -2.28 0.00 0.00 0.00 174.94 174.53 3mqh s HIS 5 N 1.20 2.60 0.47 3.97 5.65 0.07 -4.85 115.29 124.40 3mqh s HIS 5 Ca -0.02 1.30 0.41 0.00 0.25 0.00 0.00 55.06 57.00 3mqh s HIS 5 Cb -0.14 -3.86 2.11 0.00 -1.18 0.00 0.00 32.58 29.52 3mqh s HIS 5 CO -0.05 -2.67 2.24 -1.35 -0.65 0.00 0.00 174.74 172.25 3mqh h PRO 6 N 2.56 0.00 0.00 2.88 0.11 -1.93 -0.74 132.00 134.88 3mqh h PRO 6 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mqh h PRO 6 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mqh h PRO 6 CO 0.62 0.00 -0.30 0.25 -0.21 0.00 0.00 178.00 178.36 3mqh n THR 7 N -3.01 0.14 -1.91 -1.15 -2.24 -1.26 -4.86 114.28 99.98 3mqh n THR 7 Ca -0.02 -0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 3mqh n THR 7 Cb 0.12 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.04 2.67 -0.24 6.98 0.00 -0.29 -3.85 121.76 123.99 3mqh s ALA 8 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3mqh s ALA 8 Cb 0.17 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 20.11 3mqh s ALA 8 CO 0.64 -0.97 -0.03 0.42 0.00 0.00 0.00 175.76 175.82 3mqh s ILE 9 N -2.51 1.40 -0.32 0.00 1.01 0.40 -4.93 121.20 116.26 3mqh s ILE 9 Ca 0.63 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3mqh s ILE 9 Cb -0.17 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.60 3mqh s ILE 9 CO 0.40 -0.19 0.06 -0.69 0.00 0.00 0.00 174.94 174.53 3mqh s VAL 10 N 1.44 3.50 0.52 2.92 1.01 -1.26 -1.39 120.40 127.13 3mqh s VAL 10 Ca -0.03 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 3mqh s VAL 10 Cb -0.19 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 3mqh s VAL 10 CO -0.08 -0.12 1.12 -1.81 0.00 0.00 0.00 175.10 174.21 3mqh s ASP 11 N 1.36 5.92 0.21 3.32 1.01 -0.14 -4.91 116.67 123.43 3mqh s ASP 11 Ca -0.02 2.15 -0.32 0.00 0.71 0.00 0.00 52.55 55.07 3mqh s ASP 11 Cb -0.19 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.02 3mqh s ASP 11 CO 0.01 -1.08 1.48 1.21 0.21 0.00 0.00 175.17 177.00 3mqh n GLU 12 N -1.08 2.09 0.00 8.23 2.13 -1.26 -2.18 120.64 128.56 3mqh n GLU 12 Ca 0.10 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3mqh n GLU 12 Cb 0.51 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 2.68 2.53 3.77 8.31 0.00 -1.26 -4.42 105.19 116.80 3mqh n GLY 13 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.43 3.26 -0.21 4.61 0.00 -0.71 -4.71 121.76 121.57 3mqh s ALA 14 Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 3mqh s ALA 14 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3mqh s ALA 14 CO 0.00 -1.03 -0.02 1.03 0.00 0.00 0.00 175.76 175.74 3mqh s ARG 15 N -2.35 3.48 -0.07 0.00 0.52 -0.53 -5.02 118.95 114.99 3mqh s ARG 15 Ca 0.59 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3mqh s ARG 15 Cb -0.41 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.04 3mqh s ARG 15 CO 0.53 -0.11 -0.03 0.42 0.02 0.00 0.00 175.30 176.13 3mqh s ILE 16 N 1.29 0.54 0.77 1.52 1.01 -1.25 -0.19 121.20 124.90 3mqh s ILE 16 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3mqh s ILE 16 Cb -0.14 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.76 3mqh s ILE 16 CO -0.00 0.26 1.09 -0.83 0.00 0.00 0.00 174.94 175.45 3mqh s GLY 17 N 1.46 1.63 0.51 6.18 0.00 -0.14 -4.51 107.32 112.46 3mqh s GLY 17 Ca -0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.35 3mqh s GLY 17 CO -0.03 0.27 1.10 0.00 0.00 0.00 0.00 173.10 174.43 3mqh n ALA 18 N -3.36 0.63 -0.96 3.20 0.00 -1.26 -2.53 120.51 116.23 3mqh n ALA 18 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3mqh n ALA 18 Cb 0.56 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.97 0.00 -2.44 0.00 8.25 -1.26 -1.06 115.22 117.74 3mqh n HIS 19 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 3mqh n HIS 19 Cb 0.43 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.19 6.52 -0.08 0.41 0.01 -1.05 -3.98 113.70 113.34 3mqh s SER 20 Ca 0.00 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.67 3mqh s SER 20 Cb 0.00 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.81 3mqh s SER 20 CO 0.00 -0.58 -0.07 -0.13 0.41 0.00 0.00 173.24 172.87 3mqh s ARG 21 N -4.21 1.29 -0.20 12.44 3.00 -0.21 -0.67 118.95 130.39 3mqh s ARG 21 Ca 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 55.73 56.07 3mqh s ARG 21 Cb -0.10 -1.31 0.01 0.00 0.00 0.00 0.00 34.95 33.55 3mqh s ARG 21 CO 0.35 -0.17 -0.12 0.42 0.00 0.00 0.00 175.30 175.78 3mqh s ILE 22 N 1.35 2.71 0.00 1.52 -1.09 -0.25 -0.88 121.20 124.57 3mqh s ILE 22 Ca -0.03 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 3mqh s ILE 22 Cb -0.14 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 3mqh s ILE 22 CO -0.03 0.47 0.00 0.79 -1.23 0.00 0.00 174.94 174.93 3mqh n TRP 23 N 4.70 -0.79 -1.91 3.97 7.02 -0.59 -0.75 117.44 129.10 3mqh n TRP 23 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 3mqh n TRP 23 Cb 0.50 0.00 -0.03 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 1.25 2.98 -1.50 -5.99 3.76 -1.26 -3.29 115.29 111.25 3mqh s HIS 24 Ca 0.00 0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 55.52 3mqh s HIS 24 Cb 0.00 -3.94 0.07 0.00 1.11 0.00 0.00 32.58 29.82 3mqh s HIS 24 CO 0.00 -3.33 1.02 0.91 -0.85 0.00 0.00 174.74 172.49 3mqh n TRP 25 N 3.22 -2.42 -3.13 1.40 8.01 -1.25 -1.50 117.44 121.78 3mqh n TRP 25 Ca 0.11 0.93 -0.38 0.00 -1.31 0.00 0.00 57.50 56.85 3mqh n TRP 25 Cb 0.38 -4.18 -0.06 0.00 -2.01 0.00 0.00 31.31 25.44 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 -3.31 4.56 -0.17 -0.99 1.01 -1.21 -3.40 120.40 116.90 3mqh s VAL 26 Ca 0.65 1.41 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3mqh s VAL 26 Cb -0.32 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.10 3mqh s VAL 26 CO 0.81 0.47 -0.19 -2.28 0.00 0.00 0.00 175.10 173.91 3mqh s HIS 27 N -1.22 2.77 -0.15 5.22 2.46 -0.74 -0.45 115.29 123.19 3mqh s HIS 27 Ca 0.35 -1.50 0.00 0.00 0.47 0.00 0.00 55.06 54.37 3mqh s HIS 27 Cb -0.20 -1.91 -0.01 0.00 -0.13 0.00 0.00 32.58 30.33 3mqh s HIS 27 CO 0.22 -0.73 -0.15 0.42 -2.47 0.00 0.00 174.74 172.03 3mqh s ILE 28 N 1.19 2.76 0.68 0.89 1.01 -0.49 -1.28 121.20 125.96 3mqh s ILE 28 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3mqh s ILE 28 Cb -0.14 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3mqh s ILE 28 CO -0.09 0.52 1.07 0.00 0.00 0.00 0.00 174.94 176.43 3mqh h GLY 30 N -0.57 0.00 1.59 0.00 0.00 -1.77 -2.58 103.07 99.74 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 -0.24 0.61 0.00 0.00 0.00 176.54 177.53 3mqh n GLY 31 N 0.62 -1.47 3.76 4.60 0.00 -1.26 -1.73 105.19 109.71 3mqh n GLY 31 Ca 0.03 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.05 2.95 -0.15 4.61 0.00 -0.97 -4.65 121.76 120.50 3mqh s ALA 32 Ca 0.11 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3mqh s ALA 32 Cb 0.16 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3mqh s ALA 32 CO 0.62 -1.07 -0.15 -1.21 0.00 0.00 0.00 175.76 173.95 3mqh s GLU 33 N -2.73 2.39 -0.05 0.00 2.02 -0.91 -1.45 118.70 117.97 3mqh s GLU 33 Ca 0.67 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.10 3mqh s GLU 33 Cb -0.37 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 3mqh s GLU 33 CO 0.44 -0.21 -0.19 0.42 0.02 0.00 0.00 175.26 175.75 3mqh s ILE 34 N 1.40 1.57 0.00 -1.63 1.01 0.74 -0.77 121.20 123.52 3mqh s ILE 34 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3mqh s ILE 34 Cb -0.13 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3mqh s ILE 34 CO -0.10 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3mqh n GLY 35 N 3.19 0.17 3.87 6.18 0.00 -0.27 -0.96 105.19 117.38 3mqh n GLY 35 Ca -0.18 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 0.57 3.81 -1.37 1.61 2.02 -1.26 -2.12 118.70 121.96 3mqh s GLU 36 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.28 3mqh s GLU 36 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.60 3mqh s GLU 36 CO 0.00 0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3mqh n GLY 37 N -0.21 0.94 3.90 -1.39 0.00 -0.23 0.00 105.19 108.21 3mqh n GLY 37 Ca 0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.28 0.48 -0.20 0.00 0.15 -0.60 -1.04 113.70 108.20 3mqh s SER 39 Ca 0.55 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.17 3mqh s SER 39 Cb -0.11 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.00 3mqh s SER 39 CO 0.48 -0.10 -0.13 -0.76 1.20 0.00 0.00 173.24 173.94 3mqh s LEU 40 N 1.01 2.46 0.00 3.45 1.02 -0.06 -0.39 118.68 126.17 3mqh s LEU 40 Ca -0.10 -0.91 -0.13 0.00 0.02 0.00 0.00 54.13 53.01 3mqh s LEU 40 Cb -0.14 -1.36 0.18 0.00 0.02 0.00 0.00 46.19 44.88 3mqh s LEU 40 CO -0.02 -0.11 0.91 0.61 0.02 0.00 0.00 176.35 177.76 3mqh n GLY 41 N 4.62 -1.73 3.59 -3.19 0.00 -0.14 -1.54 105.19 106.79 3mqh n GLY 41 Ca -0.16 -1.64 -0.53 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.24 1.06 -1.23 1.61 7.27 -1.26 -2.35 117.38 119.24 3mqh n GLN 42 Ca 0.12 0.38 -0.08 0.00 0.07 0.00 0.00 57.00 57.49 3mqh n GLN 42 Cb 0.41 -2.02 -0.03 0.00 2.41 0.00 0.00 30.24 31.02 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 2.54 -4.85 -4.74 1.69 5.15 -0.56 -1.42 115.26 113.06 3mqh n ASN 43 Ca 0.19 0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 54.00 3mqh n ASN 43 Cb 0.18 -3.05 0.05 0.00 -0.53 0.00 0.00 39.78 36.43 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 -2.00 2.29 -0.00 3.44 1.01 -0.99 -4.39 120.40 119.76 3mqh s VAL 44 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3mqh s VAL 44 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3mqh s VAL 44 CO 0.00 -0.04 -0.19 0.12 0.00 0.00 0.00 175.10 174.99 3mqh s PHE 45 N -1.48 1.70 -0.07 5.22 5.36 -0.76 -1.79 117.98 126.15 3mqh s PHE 45 Ca 0.80 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 3mqh s PHE 45 Cb -0.34 -1.08 0.02 0.00 -0.34 0.00 0.00 43.02 41.28 3mqh s PHE 45 CO 0.37 -0.00 -0.07 0.08 -1.46 0.00 0.00 175.22 174.14 3mqh s VAL 46 N -0.53 0.83 0.57 3.12 1.01 -0.41 -0.16 120.40 124.83 3mqh s VAL 46 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3mqh s VAL 46 Cb -0.08 -0.83 0.13 0.00 0.00 0.00 0.00 36.38 35.61 3mqh s VAL 46 CO -0.00 0.31 0.69 0.61 0.00 0.00 0.00 175.10 176.70 3mqh n GLY 47 N 4.31 -1.69 0.11 4.51 0.00 -0.33 -1.03 105.19 111.07 3mqh n GLY 47 Ca -0.19 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.22 0.43 -1.39 1.61 2.35 -1.89 -3.33 115.58 112.13 3mqh h ASN 48 Ca -0.23 -0.95 -0.76 0.00 -0.55 0.00 0.00 56.30 53.82 3mqh h ASN 48 Cb 0.65 -0.14 -0.15 0.00 0.05 0.00 0.00 38.32 38.73 3mqh h ASN 48 CO 0.16 1.34 2.08 -1.14 -1.65 0.00 0.00 177.43 178.22 3mqh n ARG 49 N -4.18 3.98 -3.86 0.81 0.63 -1.26 -2.95 116.66 109.83 3mqh n ARG 49 Ca -0.13 -3.57 -0.15 0.00 -0.92 0.00 0.00 57.85 53.08 3mqh n ARG 49 Cb 0.78 -2.81 -0.15 0.00 0.45 0.00 0.00 32.46 30.73 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 -0.30 0.04 -0.09 5.15 1.01 -1.26 -0.67 120.40 124.29 3mqh s VAL 50 Ca 0.43 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.54 3mqh s VAL 50 Cb 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.39 3mqh s VAL 50 CO -0.02 0.08 -0.16 -0.13 0.00 0.00 0.00 175.10 174.86 3mqh s ARG 51 N 0.67 2.23 -0.10 2.72 0.52 -1.22 -2.15 118.95 121.63 3mqh s ARG 51 Ca -0.06 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3mqh s ARG 51 Cb -0.09 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.61 3mqh s ARG 51 CO -0.02 0.05 -0.16 0.42 0.02 0.00 0.00 175.30 175.62 3mqh s ILE 52 N 0.64 1.49 0.00 1.52 1.01 0.05 -0.80 121.20 125.10 3mqh s ILE 52 Ca -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3mqh s ILE 52 Cb -0.16 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3mqh s ILE 52 CO 0.04 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3mqh n GLY 53 N 4.00 -0.42 3.86 6.18 0.00 0.35 -1.11 105.19 118.06 3mqh n GLY 53 Ca -0.20 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.20 6.70 -1.47 1.61 0.01 -1.26 -1.95 114.94 117.37 3mqh s ASN 54 Ca 0.00 0.89 -0.07 0.00 -0.71 0.00 0.00 52.86 52.97 3mqh s ASN 54 Cb 0.00 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.46 3mqh s ASN 54 CO 0.00 0.12 0.84 0.54 -1.51 0.00 0.00 177.10 177.09 3mqh n ARG 55 N 0.73 -6.03 -3.15 -0.60 1.74 0.10 -0.89 116.66 108.56 3mqh n ARG 55 Ca -0.06 0.84 -0.40 0.00 -0.77 0.00 0.00 57.85 57.47 3mqh n ARG 55 Cb 0.52 -5.78 -0.06 0.00 -1.02 0.00 0.00 32.46 26.13 3mqh n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqh s VAL 56 N -3.23 5.06 -0.27 1.55 1.01 -1.26 -3.46 120.40 119.80 3mqh s VAL 56 Ca 0.44 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.52 3mqh s VAL 56 Cb -0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3mqh s VAL 56 CO 0.54 0.16 0.03 -0.54 0.00 0.00 0.00 175.10 175.30 3mqh s LYS 57 N 1.58 3.17 -0.20 2.72 1.02 -0.75 -1.55 119.74 125.72 3mqh s LYS 57 Ca 0.29 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 3mqh s LYS 57 Cb -0.16 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3mqh s LYS 57 CO 0.11 -0.36 -0.13 0.42 -0.92 0.00 0.00 175.35 174.47 3mqh s ILE 58 N 1.48 2.57 0.85 2.17 1.01 0.47 -0.74 121.20 129.01 3mqh s ILE 58 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 3mqh s ILE 58 Cb -0.16 -2.16 0.13 0.00 0.01 0.00 0.00 42.46 40.28 3mqh s ILE 58 CO 0.00 0.44 1.19 -1.10 0.00 0.00 0.00 174.94 175.48 3mqh s GLN 59 N 1.35 1.41 0.39 2.79 -1.52 -0.43 -0.97 119.66 122.67 3mqh s GLN 59 Ca 0.04 -0.30 -0.24 0.00 -1.95 0.00 0.00 55.36 52.90 3mqh s GLN 59 Cb -0.14 -1.98 -0.12 0.00 -0.22 0.00 0.00 33.01 30.54 3mqh s GLN 59 CO -0.09 -1.87 0.82 0.09 -0.25 0.00 0.00 175.29 174.00 3mqh n ASN 60 N -3.39 0.39 -0.77 5.90 3.02 -1.26 -3.56 115.26 115.58 3mqh n ASN 60 Ca 0.12 1.02 -0.07 0.00 -0.03 0.00 0.00 54.58 55.61 3mqh n ASN 60 Cb 0.60 -1.24 -0.01 0.00 -0.61 0.00 0.00 39.78 38.52 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 0.96 -2.99 -4.65 6.41 3.02 -0.51 -0.90 115.26 116.60 3mqh n ASN 61 Ca 0.11 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 3mqh n ASN 61 Cb 0.37 -2.05 -0.10 0.00 -0.61 0.00 0.00 39.78 37.40 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 -2.34 5.20 -0.41 2.41 1.01 -1.23 -4.18 120.40 120.85 3mqh s VAL 62 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3mqh s VAL 62 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3mqh s VAL 62 CO 0.00 0.38 0.30 -0.44 0.00 0.00 0.00 175.10 175.33 3mqh s SER 63 N 0.88 6.10 -0.69 3.32 0.01 -1.26 -1.83 113.70 120.22 3mqh s SER 63 Ca 0.07 -0.88 -0.17 0.00 1.31 0.00 0.00 55.95 56.28 3mqh s SER 63 Cb -0.13 -2.16 0.14 0.00 0.21 0.00 0.00 66.02 64.09 3mqh s SER 63 CO 0.03 -0.44 0.74 -0.69 0.41 0.00 0.00 173.24 173.29 3mqh s VAL 64 N 1.68 5.10 0.68 3.43 1.01 0.77 -4.25 120.40 128.82 3mqh s VAL 64 Ca 0.05 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 3mqh s VAL 64 Cb -0.19 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.70 3mqh s VAL 64 CO 0.10 -1.10 1.06 -0.31 0.00 0.00 0.00 175.10 174.85 3mqh s TYR 65 N 1.78 3.37 0.20 5.22 2.02 -1.26 -1.19 117.35 127.49 3mqh s TYR 65 Ca 0.14 1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 57.59 3mqh s TYR 65 Cb -0.19 -2.96 -0.16 0.00 -0.40 0.00 0.00 41.96 38.25 3mqh s TYR 65 CO -0.01 -1.04 0.86 -0.25 -1.57 0.00 0.00 175.55 173.54 3mqh n ASP 66 N -2.91 0.21 0.00 2.29 8.00 -1.26 -1.72 116.55 121.16 3mqh n ASP 66 Ca 0.06 1.15 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 1.72 -2.77 -4.74 -2.24 4.13 0.16 -4.73 115.26 106.78 3mqh n ASN 67 Ca 0.15 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.05 3mqh n ASN 67 Cb 0.26 -0.46 -0.07 0.00 -1.54 0.00 0.00 39.78 37.96 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 -2.02 5.35 -0.11 2.41 1.01 -0.70 -1.51 120.40 124.83 3mqh s VAL 68 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3mqh s VAL 68 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3mqh s VAL 68 CO 0.00 0.43 -0.12 -0.36 0.00 0.00 0.00 175.10 175.05 3mqh s PHE 69 N 0.29 1.78 -0.21 5.22 0.08 -0.18 -3.40 117.98 121.56 3mqh s PHE 69 Ca 0.13 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 3mqh s PHE 69 Cb -0.12 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3mqh s PHE 69 CO 0.02 -0.50 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.02 3mqh s LEU 70 N 1.25 2.67 1.15 -0.37 1.43 0.02 -1.15 118.68 123.69 3mqh s LEU 70 Ca -0.02 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.25 3mqh s LEU 70 Cb -0.14 -1.61 0.27 0.00 0.03 0.00 0.00 46.19 44.74 3mqh s LEU 70 CO -0.05 -0.04 1.18 -1.61 0.23 0.00 0.00 176.35 176.06 3mqh s GLU 71 N 1.35 -0.86 0.63 1.70 2.02 -0.07 -0.49 118.70 122.98 3mqh s GLU 71 Ca 0.04 -0.23 -0.19 0.00 0.02 0.00 0.00 54.97 54.61 3mqh s GLU 71 Cb -0.14 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 3mqh s GLU 71 CO -0.08 -3.44 1.31 -0.51 0.02 0.00 0.00 175.26 172.56 3mqh s ASP 72 N -4.23 4.73 -1.71 -0.19 1.01 -1.26 -3.28 116.67 111.75 3mqh s ASP 72 Ca 0.73 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.64 3mqh s ASP 72 Cb -0.07 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3mqh s ASP 72 CO 0.55 -1.92 0.00 0.47 0.21 0.00 0.00 175.17 174.48 3mqh n ASP 73 N -1.74 -4.96 -4.77 0.27 8.00 -0.07 -1.35 116.55 111.94 3mqh n ASP 73 Ca 0.15 0.37 -0.39 0.00 0.71 0.00 0.00 54.79 55.62 3mqh n ASP 73 Cb 0.47 -3.91 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 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 -2.62 3.29 -0.15 2.53 1.01 -1.20 -3.36 120.40 119.89 3mqh s VAL 74 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.20 3mqh s VAL 74 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3mqh s VAL 74 CO 0.00 0.22 -0.18 0.12 0.00 0.00 0.00 175.10 175.27 3mqh s PHE 75 N -1.27 2.75 -0.27 5.22 5.36 -0.42 -1.81 117.98 127.54 3mqh s PHE 75 Ca 0.50 -1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 55.23 3mqh s PHE 75 Cb -0.32 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 3mqh s PHE 75 CO 0.41 -0.56 -0.01 0.00 -1.46 0.00 0.00 175.22 173.60 3mqh s GLY 77 N 1.37 1.57 0.22 0.00 0.00 0.95 -1.32 107.32 110.12 3mqh s GLY 77 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 44.72 43.94 3mqh s GLY 77 CO -0.02 0.11 1.60 -1.55 0.00 0.00 0.00 173.10 173.23 3mqh n PRO 78 N -3.87 2.44 -1.76 2.90 -0.04 -1.26 -1.90 135.00 131.51 3mqh n PRO 78 Ca 0.06 0.88 -0.20 0.00 -0.04 0.00 0.00 63.50 64.20 3mqh n PRO 78 Cb 0.58 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.08 -5.50 -4.75 3.54 7.64 -0.08 -1.15 113.62 116.39 3mqh n SER 79 Ca 0.14 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 60.10 3mqh n SER 79 Cb 0.33 -4.71 0.11 0.00 -1.01 0.00 0.00 64.21 58.92 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 -4.00 1.93 -0.09 1.43 0.23 -0.80 -3.85 119.30 114.16 3mqh s MET 80 Ca 0.00 1.02 -0.01 0.00 -1.03 0.00 0.00 55.69 55.67 3mqh s MET 80 Cb 0.00 -1.87 0.03 0.00 -1.53 0.00 0.00 34.83 31.45 3mqh s MET 80 CO 0.00 -1.83 -0.04 0.08 -2.03 0.00 0.00 175.02 171.21 3mqh s VAL 81 N -2.93 0.71 0.38 5.16 1.01 0.16 -4.42 120.40 120.47 3mqh s VAL 81 Ca 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.52 3mqh s VAL 81 Cb -0.17 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3mqh s VAL 81 CO 0.56 0.31 0.58 -0.36 0.00 0.00 0.00 175.10 176.20 3mqh s PHE 82 N 1.81 3.34 0.22 5.22 0.08 -1.26 -1.33 117.98 126.05 3mqh s PHE 82 Ca 0.05 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.33 3mqh s PHE 82 Cb -0.12 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3mqh s PHE 82 CO -0.07 -0.08 0.03 0.95 -0.10 0.00 0.00 175.22 175.95 3mqh s THR 83 N -2.39 0.73 0.00 0.64 -4.23 -1.22 -4.90 115.64 104.27 3mqh s THR 83 Ca 0.44 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3mqh s THR 83 Cb -0.10 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3mqh s THR 83 CO 0.36 -0.28 0.00 -0.46 -0.54 0.00 0.00 174.62 173.70 3mqh n ASN 84 N -0.36 0.12 -4.29 3.99 0.23 -1.26 -4.41 115.26 109.29 3mqh n ASN 84 Ca -0.04 -0.05 -0.33 0.00 -0.53 0.00 0.00 54.58 53.63 3mqh n ASN 84 Cb 0.64 0.12 -0.15 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.15 2.69 0.16 3.53 1.01 -1.26 -1.30 120.40 125.09 3mqh s VAL 85 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3mqh s VAL 85 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3mqh s VAL 85 CO 0.00 0.52 1.55 0.22 0.00 0.00 0.00 175.10 177.39 3mqh h TYR 86 N 7.06 1.12 -2.06 5.22 5.03 -1.89 -3.38 116.97 128.06 3mqh h TYR 86 Ca -0.29 -0.28 -0.51 0.00 2.58 0.00 0.00 58.73 60.24 3mqh h TYR 86 Cb 1.20 -0.26 -0.40 0.00 1.55 0.00 0.00 36.73 38.82 3mqh h TYR 86 CO 0.50 1.10 -1.08 0.27 -1.32 0.00 0.00 178.16 177.63 3mqh n ASN 87 N -4.10 1.55 -4.77 -2.11 6.94 -1.26 -5.04 115.26 106.48 3mqh n ASN 87 Ca -0.00 -3.13 -0.39 0.00 -0.02 0.00 0.00 54.58 51.04 3mqh n ASN 87 Cb 0.47 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 -2.56 3.84 -0.03 -0.53 0.04 -1.26 -5.03 135.00 129.47 3mqh s PRO 88 Ca 0.41 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 3mqh s PRO 88 Cb 0.32 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3mqh s PRO 88 CO -0.09 -0.59 0.05 1.03 0.04 0.00 0.00 177.00 177.45 3mqh s ARG 89 N -2.39 -0.04 0.47 4.56 1.81 -1.26 -5.05 118.95 117.04 3mqh s ARG 89 Ca 0.60 0.29 0.16 0.00 -1.72 0.00 0.00 55.73 55.05 3mqh s ARG 89 Cb -0.37 -0.35 1.12 0.00 -0.45 0.00 0.00 34.95 34.91 3mqh s ARG 89 CO 0.47 -0.24 2.02 0.00 -0.68 0.00 0.00 175.30 176.87 3mqh h ALA 90 N 7.79 2.07 0.00 2.13 0.00 -2.03 -1.23 119.26 127.99 3mqh h ALA 90 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3mqh h ALA 90 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3mqh h ALA 90 CO 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3mqh h ALA 91 N 1.77 1.00 -3.67 0.00 0.00 -2.03 -3.41 119.26 112.92 3mqh h ALA 91 Ca 0.21 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.47 3mqh h ALA 91 Cb 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.86 3mqh h ALA 91 CO -0.04 0.00 -0.76 0.42 0.00 0.00 0.00 179.25 178.87 3mqh s ILE 92 N -3.43 1.93 0.03 0.00 1.01 -0.46 -5.08 121.20 115.20 3mqh s ILE 92 Ca 0.04 -1.81 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 3mqh s ILE 92 Cb 0.09 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 3mqh s ILE 92 CO 0.47 -0.35 1.57 -0.70 0.00 0.00 0.00 174.94 175.93 3mqh s GLU 93 N 1.14 4.22 -0.20 2.79 2.12 -1.26 -4.52 118.70 122.99 3mqh s GLU 93 Ca 0.02 2.19 0.13 0.00 0.36 0.00 0.00 54.97 57.67 3mqh s GLU 93 Cb -0.19 -3.64 0.41 0.00 0.26 0.00 0.00 34.13 30.97 3mqh s GLU 93 CO -0.09 -0.70 1.27 0.54 -0.54 0.00 0.00 175.26 175.75 3mqh n ARG 94 N 5.72 1.67 0.27 4.30 1.74 -1.26 -4.68 116.66 124.42 3mqh n ARG 94 Ca 0.15 -3.04 0.12 0.00 -0.77 0.00 0.00 57.85 54.31 3mqh n ARG 94 Cb 0.42 -1.65 0.79 0.00 -1.02 0.00 0.00 32.46 31.00 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 0.79 0.00 -0.01 5.56 1.57 -1.99 -0.06 116.57 122.43 3mqh h LYS 95 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mqh h LYS 95 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3mqh h LYS 95 CO 0.10 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 3mqh n SER 96 N -4.15 0.66 -0.32 0.86 3.41 -1.26 -3.96 113.62 108.85 3mqh n SER 96 Ca -0.02 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.42 3mqh n SER 96 Cb 0.11 -0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.47 2.06 -1.78 4.33 1.02 -0.04 -5.05 120.64 120.71 3mqh n GLU 97 Ca 0.21 -2.48 -0.40 0.00 -0.02 0.00 0.00 57.16 54.47 3mqh n GLU 97 Cb 0.21 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3mqh n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mqh s TYR 98 N -2.50 2.48 0.03 -0.32 2.02 -1.23 -4.80 117.35 113.03 3mqh s TYR 98 Ca 0.30 1.21 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 3mqh s TYR 98 Cb 0.25 -3.99 -0.04 0.00 -0.40 0.00 0.00 41.96 37.79 3mqh s TYR 98 CO 0.05 -3.04 -0.03 1.03 -1.57 0.00 0.00 175.55 171.99 3mqh s ARG 99 N -2.32 2.60 0.39 -0.62 0.52 -0.42 -5.03 118.95 114.06 3mqh s ARG 99 Ca 0.58 -0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 3mqh s ARG 99 Cb -0.45 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 3mqh s ARG 99 CO 0.60 0.59 1.00 -0.51 0.02 0.00 0.00 175.30 177.00 3mqh s ASP 100 N -1.69 6.93 -0.18 0.23 1.01 -1.26 -4.27 116.67 117.43 3mqh s ASP 100 Ca 0.20 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.36 3mqh s ASP 100 Cb -0.11 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.28 3mqh s ASP 100 CO 0.11 -0.37 -0.10 -0.89 0.21 0.00 0.00 175.17 174.13 3mqh s THR 101 N -1.78 1.56 -0.19 -1.27 2.01 -0.57 -0.51 115.64 114.88 3mqh s THR 101 Ca 0.57 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3mqh s THR 101 Cb -0.18 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 3mqh s THR 101 CO 0.23 0.22 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.67 3mqh s ILE 102 N 1.44 3.21 -0.28 1.82 1.01 -1.13 -1.01 121.20 126.28 3mqh s ILE 102 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3mqh s ILE 102 Cb -0.15 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.93 3mqh s ILE 102 CO -0.09 0.46 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 3mqh s VAL 103 N 1.10 2.94 0.68 2.92 1.01 -0.30 -0.70 120.40 128.06 3mqh s VAL 103 Ca 0.01 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 3mqh s VAL 103 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3mqh s VAL 103 CO -0.02 0.04 1.06 -0.13 0.00 0.00 0.00 175.10 176.05 3mqh s ARG 104 N 1.29 2.87 0.12 2.72 1.81 0.15 -0.89 118.95 127.01 3mqh s ARG 104 Ca -0.03 0.38 -0.35 0.00 -1.72 0.00 0.00 55.73 54.00 3mqh s ARG 104 Cb -0.18 -2.07 -0.16 0.00 -0.45 0.00 0.00 34.95 32.09 3mqh s ARG 104 CO -0.03 -0.97 1.38 0.94 -0.68 0.00 0.00 175.30 175.94 3mqh n GLN 105 N -2.93 1.42 -0.74 3.54 7.27 -1.26 -2.03 117.38 122.66 3mqh n GLN 105 Ca 0.06 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.65 3mqh n GLN 105 Cb 0.57 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 31.05 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 2.67 1.48 3.75 1.69 0.00 -0.46 -1.07 105.19 113.26 3mqh n GLY 106 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3mqh n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 107 N -3.69 2.74 -0.12 4.61 0.00 -0.86 -3.97 121.76 120.47 3mqh s ALA 107 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3mqh s ALA 107 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3mqh s ALA 107 CO 0.00 -1.18 -0.19 0.99 0.00 0.00 0.00 175.76 175.38 3mqh s THR 108 N -1.44 2.40 -0.37 0.00 2.01 -0.28 -1.29 115.64 116.66 3mqh s THR 108 Ca 0.72 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3mqh s THR 108 Cb -0.35 -1.96 0.06 0.00 0.01 0.00 0.00 72.50 70.25 3mqh s THR 108 CO 0.40 0.54 0.17 -0.76 -0.69 0.00 0.00 174.62 174.28 3mqh s LEU 109 N 0.53 4.68 0.85 4.42 1.43 0.24 -0.77 118.68 130.07 3mqh s LEU 109 Ca -0.12 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 3mqh s LEU 109 Cb -0.17 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.24 3mqh s LEU 109 CO 0.04 -0.41 1.11 -0.83 0.23 0.00 0.00 176.35 176.49 3mqh s GLY 110 N 1.68 1.67 0.02 -3.19 0.00 0.35 -0.03 107.32 107.81 3mqh s GLY 110 Ca 0.01 0.38 -0.38 0.00 0.00 0.00 0.00 44.72 44.72 3mqh s GLY 110 CO 0.02 0.77 1.27 0.00 0.00 0.00 0.00 173.10 175.17 3mqh n ALA 111 N -3.89 -1.92 -1.48 3.20 0.00 -1.26 -1.59 120.51 113.57 3mqh n ALA 111 Ca 0.10 0.54 -0.17 0.00 0.00 0.00 0.00 53.44 53.91 3mqh n ALA 111 Cb 0.53 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 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 2.35 -5.33 -4.76 0.00 5.15 -0.30 -0.30 115.26 112.07 3mqh n ASN 112 Ca 0.20 0.41 -0.29 0.00 -0.60 0.00 0.00 54.58 54.30 3mqh n ASN 112 Cb 0.14 -4.30 0.14 0.00 -0.53 0.00 0.00 39.78 35.23 3mqh n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mqh s THR 114 N -3.17 0.21 -0.20 0.00 2.01 -0.30 -0.67 115.64 113.51 3mqh s THR 114 Ca 0.64 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.58 3mqh s THR 114 Cb -0.16 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.15 3mqh s THR 114 CO 0.55 0.09 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.73 3mqh s VAL 115 N 0.28 2.40 0.03 3.82 1.01 -0.44 -0.22 120.40 127.29 3mqh s VAL 115 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3mqh s VAL 115 Cb -0.05 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3mqh s VAL 115 CO -0.01 0.43 1.29 -0.69 0.00 0.00 0.00 175.10 176.13 3mqh s VAL 116 N 1.31 3.85 0.50 2.92 1.01 0.23 -3.38 120.40 126.84 3mqh s VAL 116 Ca 0.04 1.28 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3mqh s VAL 116 Cb -0.14 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3mqh s VAL 116 CO -0.10 0.05 1.10 0.00 0.00 0.00 0.00 175.10 176.15 3mqh n GLY 118 N 1.08 2.50 3.80 0.00 0.00 0.33 -4.87 105.19 108.03 3mqh n GLY 118 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.40 2.96 -0.12 4.61 0.00 -1.17 -4.88 121.76 120.76 3mqh s ALA 119 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 3mqh s ALA 119 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mqh s ALA 119 CO 0.00 -0.13 -0.07 0.99 0.00 0.00 0.00 175.76 176.55 3mqh s THR 120 N -2.00 3.64 -0.26 0.00 2.01 -1.26 -2.81 115.64 114.95 3mqh s THR 120 Ca 0.64 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 3mqh s THR 120 Cb -0.14 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 3mqh s THR 120 CO 0.18 0.53 0.10 -0.63 -0.69 0.00 0.00 174.62 174.12 3mqh s ILE 121 N 0.02 4.58 0.92 1.82 -1.09 0.12 -0.93 121.20 126.64 3mqh s ILE 121 Ca -0.01 -0.09 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 3mqh s ILE 121 Cb -0.14 -3.16 0.14 0.00 -1.58 0.00 0.00 42.46 37.72 3mqh s ILE 121 CO 0.03 0.31 1.09 -0.83 -1.23 0.00 0.00 174.94 174.31 3mqh s GLY 122 N 1.65 1.61 0.19 6.18 0.00 0.77 -0.68 107.32 117.05 3mqh s GLY 122 Ca 0.06 -0.05 -0.33 0.00 0.00 0.00 0.00 44.72 44.40 3mqh s GLY 122 CO 0.06 0.45 1.64 0.54 0.00 0.00 0.00 173.10 175.79 3mqh n ARG 123 N -3.98 2.45 -1.52 2.90 1.74 -1.26 -1.72 116.66 115.27 3mqh n ARG 123 Ca 0.07 0.88 -0.18 0.00 -0.77 0.00 0.00 57.85 57.85 3mqh n ARG 123 Cb 0.55 -2.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.23 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 3.59 -0.06 -0.73 -1.55 4.01 -0.23 -0.53 117.16 121.66 3mqh n TYR 124 Ca 0.16 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.61 3mqh n TYR 124 Cb 0.32 -3.22 0.22 0.00 -0.31 0.00 0.00 39.34 36.34 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 -2.52 0.22 -0.16 -0.72 0.00 -0.70 -3.83 121.76 114.04 3mqh s ALA 125 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 3mqh s ALA 125 Cb 0.00 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.94 3mqh s ALA 125 CO 0.00 -3.39 0.16 0.12 0.00 0.00 0.00 175.76 172.65 3mqh s PHE 126 N -2.62 -0.10 -0.34 0.00 5.36 0.23 -1.13 117.98 119.39 3mqh s PHE 126 Ca 0.67 0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 56.61 3mqh s PHE 126 Cb -0.23 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 41.99 3mqh s PHE 126 CO 0.62 -0.50 0.39 0.08 -1.46 0.00 0.00 175.22 174.35 3mqh s VAL 127 N 2.26 5.14 0.74 3.12 1.01 0.05 -1.53 120.40 131.19 3mqh s VAL 127 Ca 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 3mqh s VAL 127 Cb -0.15 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3mqh s VAL 127 CO -0.10 -0.12 1.22 -0.83 0.00 0.00 0.00 175.10 175.28 3mqh s GLY 128 N 1.74 2.37 0.17 4.51 0.00 0.09 -0.50 107.32 115.70 3mqh s GLY 128 Ca 0.13 0.93 -0.33 0.00 0.00 0.00 0.00 44.72 45.45 3mqh s GLY 128 CO 0.12 1.35 1.14 0.00 0.00 0.00 0.00 173.10 175.70 3mqh n ALA 129 N -2.79 -0.93 -0.85 3.20 0.00 -1.26 -1.92 120.51 115.97 3mqh n ALA 129 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3mqh n ALA 129 Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.98 0.86 3.78 0.00 0.00 0.58 -4.84 105.19 107.55 3mqh n GLY 130 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.31 2.41 -0.30 4.61 0.00 -0.81 -4.73 121.76 119.63 3mqh s ALA 131 Ca 0.00 0.37 0.01 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 -1.46 -0.01 0.08 0.00 0.00 0.00 175.76 174.37 3mqh s VAL 132 N -2.66 2.60 -0.14 0.00 1.01 -0.43 -1.15 120.40 119.62 3mqh s VAL 132 Ca 0.63 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 3mqh s VAL 132 Cb -0.18 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3mqh s VAL 132 CO 0.49 -0.23 0.71 -0.69 0.00 0.00 0.00 175.10 175.38 3mqh s VAL 133 N 1.12 4.99 -0.03 2.92 1.01 0.69 -0.06 120.40 131.05 3mqh s VAL 133 Ca -0.02 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.44 3mqh s VAL 133 Cb -0.20 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.30 3mqh s VAL 133 CO -0.04 0.14 1.07 -0.46 0.00 0.00 0.00 175.10 175.80 3mqh n ASN 134 N 4.64 0.66 -3.80 3.32 6.94 -1.26 -0.61 115.26 125.16 3mqh n ASN 134 Ca 0.00 -2.28 -0.10 0.00 -0.02 0.00 0.00 54.58 52.19 3mqh n ASN 134 Cb 0.50 -0.27 -0.05 0.00 -2.36 0.00 0.00 39.78 37.59 3mqh n ASN 134 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mqh s LYS 135 N -0.65 1.16 0.47 -3.83 -2.85 -1.26 -4.98 119.74 107.80 3mqh s LYS 135 Ca 0.13 -0.94 -0.24 0.00 -1.00 0.00 0.00 55.97 53.93 3mqh s LYS 135 Cb 0.14 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 36.26 3mqh s LYS 135 CO -0.03 -0.45 1.16 -0.25 0.10 0.00 0.00 175.35 175.88 3mqh n ASP 136 N -0.24 1.93 -4.30 0.03 8.00 -1.26 -4.73 116.55 115.99 3mqh n ASP 136 Ca -0.11 1.02 -0.35 0.00 0.71 0.00 0.00 54.79 56.06 3mqh n ASP 136 Cb 0.63 -1.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.14 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 -1.28 3.44 0.78 2.53 1.01 -0.11 -4.97 120.40 121.81 3mqh s VAL 137 Ca 0.65 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3mqh s VAL 137 Cb -0.49 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.27 3mqh s VAL 137 CO 0.55 0.29 1.06 -2.65 0.00 0.00 0.00 175.10 174.34 3mqh n PRO 138 N 4.79 0.29 -1.61 2.72 -0.02 -1.26 -0.16 135.00 139.75 3mqh n PRO 138 Ca -0.17 0.17 -0.48 0.00 -2.02 0.00 0.00 63.50 61.00 3mqh n PRO 138 Cb 0.49 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.50 1.79 0.00 2.55 8.00 -1.26 -1.28 116.55 123.85 3mqh n ASP 139 Ca 0.13 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.77 3mqh n ASP 139 Cb 0.50 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 1.66 0.00 -2.51 1.24 3.01 0.31 -4.46 117.46 116.71 3mqh n PHE 140 Ca 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.19 3mqh n PHE 140 Cb 0.27 -1.12 -0.04 0.00 -0.01 0.00 0.00 39.48 38.57 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 -1.74 3.39 -0.32 4.37 0.00 -0.41 -0.11 121.76 126.93 3mqh s ALA 141 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 3mqh s ALA 141 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3mqh s ALA 141 CO 0.00 -0.16 0.36 -1.17 0.00 0.00 0.00 175.76 174.79 3mqh s LEU 142 N -0.89 4.32 0.04 0.00 2.96 -0.32 -0.60 118.68 124.19 3mqh s LEU 142 Ca 0.47 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 3mqh s LEU 142 Cb -0.30 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3mqh s LEU 142 CO 0.37 -0.30 -0.21 0.68 -1.32 0.00 0.00 176.35 175.58 3mqh s VAL 143 N 2.04 1.67 0.08 1.68 -7.23 -0.58 -0.82 120.40 117.23 3mqh s VAL 143 Ca 0.13 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 3mqh s VAL 143 Cb -0.16 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 3mqh s VAL 143 CO 0.11 0.24 0.12 0.68 -0.31 0.00 0.00 175.10 175.94 3mqh s VAL 144 N -0.76 0.17 0.00 1.32 -7.23 -0.51 -0.73 120.40 112.65 3mqh s VAL 144 Ca 0.08 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3mqh s VAL 144 Cb -0.09 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3mqh s VAL 144 CO 0.01 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 3mqh n GLY 145 N -0.01 1.35 3.02 2.32 0.00 -1.26 -0.86 105.19 109.76 3mqh n GLY 145 Ca -0.15 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.82 2.17 0.77 1.61 1.01 -1.26 -1.32 120.40 121.56 3mqh s VAL 146 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 61.98 59.79 3mqh s VAL 146 Cb 0.00 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.93 3mqh s VAL 146 CO 0.00 -0.42 1.10 -2.16 0.00 0.00 0.00 175.10 173.62 3mqh s PRO 147 N 1.00 2.33 0.27 2.72 0.04 -1.26 -5.01 135.00 135.09 3mqh s PRO 147 Ca 0.05 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 3mqh s PRO 147 Cb -0.19 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3mqh s PRO 147 CO -0.08 -1.42 1.21 0.00 0.04 0.00 0.00 177.00 176.76 3mqh s ALA 148 N -3.26 3.46 0.04 8.56 0.00 0.91 -4.83 121.76 126.63 3mqh s ALA 148 Ca 0.60 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.65 3mqh s ALA 148 Cb -0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3mqh s ALA 148 CO 0.53 -0.40 -0.13 1.03 0.00 0.00 0.00 175.76 176.79 3mqh s ARG 149 N -1.13 0.88 0.05 0.00 1.81 -0.04 -4.86 118.95 115.66 3mqh s ARG 149 Ca 0.49 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 3mqh s ARG 149 Cb -0.35 -0.86 -0.05 0.00 -0.45 0.00 0.00 34.95 33.24 3mqh s ARG 149 CO 0.43 0.21 1.07 -1.14 -0.68 0.00 0.00 175.30 175.20 3mqh s GLN 150 N -1.09 4.53 0.00 3.54 0.74 -1.26 -1.43 119.66 124.69 3mqh s GLN 150 Ca 0.01 1.59 0.01 0.00 0.05 0.00 0.00 55.36 57.02 3mqh s GLN 150 Cb -0.08 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 3mqh s GLN 150 CO 0.01 -0.09 0.07 0.44 -0.55 0.00 0.00 175.29 175.18 3mqh n ILE 151 N 3.62 0.00 -3.23 -2.34 -5.35 -0.00 -4.98 119.36 107.07 3mqh n ILE 151 Ca 0.06 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3mqh n ILE 151 Cb 0.48 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 0.99 0.69 2.96 3.28 0.00 -1.17 -4.93 105.19 107.01 3mqh n GLY 152 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.08 0.70 -0.14 1.61 0.52 -1.26 -1.17 118.94 117.11 3mqh s TRP 153 Ca 0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 56.10 55.94 3mqh s TRP 153 Cb 0.00 -0.51 -0.02 0.00 -1.15 0.00 0.00 33.47 31.79 3mqh s TRP 153 CO 0.00 -0.08 -0.08 -1.64 0.02 0.00 0.00 176.95 175.17 3mqh s MET 154 N 0.21 3.54 0.94 4.98 -1.94 0.84 -0.32 119.30 127.55 3mqh s MET 154 Ca -0.03 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 3mqh s MET 154 Cb -0.07 -2.78 0.16 0.00 2.01 0.00 0.00 34.83 34.14 3mqh s MET 154 CO -0.00 0.23 1.09 -1.54 -0.01 0.00 0.00 175.02 174.79 3mqh s SER 155 N 0.35 2.96 0.29 3.03 1.04 -0.36 -4.70 113.70 116.31 3mqh s SER 155 Ca -0.07 1.67 0.05 0.00 0.48 0.00 0.00 55.95 58.08 3mqh s SER 155 Cb -0.15 -2.31 0.74 0.00 0.10 0.00 0.00 66.02 64.40 3mqh s SER 155 CO 0.04 -2.99 1.73 0.03 0.98 0.00 0.00 173.24 173.03 3mqh h ARG 156 N -1.79 0.51 -0.06 4.02 3.08 -1.90 -0.20 114.38 118.05 3mqh h ARG 156 Ca -0.50 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 3mqh h ARG 156 Cb 1.29 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3mqh h ARG 156 CO 0.51 0.34 -0.00 1.25 -1.07 0.00 0.00 179.97 180.99 3mqh h HIS 157 N 0.53 0.08 0.00 3.04 2.76 -1.99 -3.46 115.15 116.11 3mqh h HIS 157 Ca 0.57 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 3mqh h HIS 157 Cb 1.02 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3mqh h HIS 157 CO -0.08 0.10 0.00 0.41 -1.30 0.00 0.00 177.93 177.06 3mqh n GLY 158 N -1.40 1.25 3.18 5.26 0.00 -0.08 -5.13 105.19 108.26 3mqh n GLY 158 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3mqh n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqh s GLU 159 N -0.25 0.84 0.43 1.61 2.12 -1.26 -4.92 118.70 117.28 3mqh s GLU 159 Ca 0.00 -1.00 -0.26 0.00 0.36 0.00 0.00 54.97 54.07 3mqh s GLU 159 Cb 0.00 -0.82 -0.08 0.00 0.26 0.00 0.00 34.13 33.49 3mqh s GLU 159 CO 0.00 0.18 1.36 -0.65 -0.54 0.00 0.00 175.26 175.61 3mqh s GLN 160 N -1.91 3.81 0.28 4.30 -0.21 -1.26 -1.22 119.66 123.44 3mqh s GLN 160 Ca -0.00 2.27 -0.06 0.00 0.02 0.00 0.00 55.36 57.59 3mqh s GLN 160 Cb -0.09 -2.69 -0.06 0.00 1.00 0.00 0.00 33.01 31.17 3mqh s GLN 160 CO 0.02 -0.66 0.55 -0.51 -2.12 0.00 0.00 175.29 172.57 3mqh s LEU 161 N -2.60 4.08 -1.28 2.90 1.43 0.56 -4.82 118.68 118.95 3mqh s LEU 161 Ca 0.59 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 3mqh s LEU 161 Cb -0.41 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.41 3mqh s LEU 161 CO 0.52 -0.17 1.73 -0.67 0.23 0.00 0.00 176.35 178.00 3mqh n ASP 162 N -0.77 4.99 -4.14 2.29 -0.08 -1.26 -4.69 116.55 112.89 3mqh n ASP 162 Ca -0.01 -3.01 -0.16 0.00 -1.51 0.00 0.00 54.79 50.09 3mqh n ASP 162 Cb 0.54 -1.56 -0.12 0.00 2.34 0.00 0.00 41.12 42.31 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 1.26 2.28 0.70 -2.67 1.43 -1.26 -4.68 118.68 115.73 3mqh s LEU 163 Ca 0.43 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 3mqh s LEU 163 Cb 0.05 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3mqh s LEU 163 CO 0.00 -0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.40 3mqh s PRO 164 N -1.80 2.62 0.18 1.29 0.04 -1.26 -4.89 135.00 131.18 3mqh s PRO 164 Ca -0.03 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 3mqh s PRO 164 Cb -0.09 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.59 3mqh s PRO 164 CO 0.02 -1.38 1.83 1.25 0.04 0.00 0.00 177.00 178.76 3mqh h LEU 165 N -0.37 0.67 -9.29 -3.56 5.85 -1.97 -3.45 115.31 103.19 3mqh h LEU 165 Ca -0.46 -0.04 -0.49 0.00 0.84 0.00 0.00 57.88 57.73 3mqh h LEU 165 Cb 1.24 -0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.97 3mqh h LEU 165 CO 0.53 0.51 -0.58 -0.13 -0.34 0.00 0.00 178.44 178.43 3mqh s ARG 166 N -6.07 1.73 0.00 1.25 0.52 -1.26 -4.92 118.95 110.21 3mqh s ARG 166 Ca -0.13 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 3mqh s ARG 166 Cb 0.13 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.84 3mqh s ARG 166 CO 0.75 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.19 3mqh n GLY 167 N -0.75 0.25 2.82 -3.53 0.00 -1.26 -4.92 105.19 97.79 3mqh n GLY 167 Ca -0.04 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 0.38 0.10 1.61 0.01 -1.26 -2.20 114.94 109.58 3mqh s ASN 168 Ca 0.00 -0.02 -0.26 0.00 -0.71 0.00 0.00 52.86 51.87 3mqh s ASN 168 Cb 0.00 -0.20 0.09 0.00 0.41 0.00 0.00 41.25 41.54 3mqh s ASN 168 CO 0.00 -0.09 1.12 0.00 -1.51 0.00 0.00 177.10 176.62 3mqh s ALA 169 N 0.96 -1.91 0.04 0.60 0.00 -0.64 -4.99 121.76 115.81 3mqh s ALA 169 Ca -0.10 0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3mqh s ALA 169 Cb -0.13 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3mqh s ALA 169 CO -0.02 -1.08 -0.06 -1.21 0.00 0.00 0.00 175.76 173.40 3mqh s GLU 170 N -2.41 0.48 0.15 0.00 2.02 -1.26 -0.63 118.70 117.05 3mqh s GLU 170 Ca 0.20 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 3mqh s GLU 170 Cb -0.00 -0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.15 3mqh s GLU 170 CO 0.02 -0.00 0.41 0.00 0.02 0.00 0.00 175.26 175.70 3mqh s ALA 171 N -1.78 -0.74 -0.05 5.21 0.00 -0.60 -4.86 121.76 118.95 3mqh s ALA 171 Ca -0.09 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.64 3mqh s ALA 171 Cb -0.07 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 3mqh s ALA 171 CO -0.01 -0.69 -0.19 0.99 0.00 0.00 0.00 175.76 175.86 3mqh s THR 172 N -3.86 1.55 -0.01 0.00 2.01 -1.26 -0.53 115.64 113.53 3mqh s THR 172 Ca 0.07 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3mqh s THR 172 Cb 0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 3mqh s THR 172 CO -0.07 0.44 1.38 0.00 -0.69 0.00 0.00 174.62 175.68 3mqh h PRO 174 N 7.82 0.00 0.08 0.00 0.13 -1.95 0.17 132.00 138.24 3mqh h PRO 174 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 3mqh h PRO 174 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3mqh h PRO 174 CO 0.90 0.00 -1.13 0.45 -0.23 0.00 0.00 178.00 177.99 3mqh h HIS 175 N 0.00 0.38 0.00 1.56 3.86 -1.98 -3.39 115.15 115.58 3mqh h HIS 175 Ca 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3mqh h HIS 175 Cb 0.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3mqh h HIS 175 CO 0.00 1.18 -0.95 0.25 0.86 0.00 0.00 177.93 179.27 3mqh n THR 176 N -3.53 0.00 -0.97 2.45 -2.24 -1.19 -5.01 114.28 103.79 3mqh n THR 176 Ca -0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3mqh n THR 176 Cb 0.97 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 2.28 0.57 3.77 3.38 0.00 0.59 -5.01 105.19 110.78 3mqh n GLY 177 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mqh n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mqh s GLU 178 N -0.27 4.19 -0.10 1.61 -1.05 -1.25 -4.68 118.70 117.15 3mqh s GLU 178 Ca 0.00 1.75 -0.09 0.00 -0.15 0.00 0.00 54.97 56.48 3mqh s GLU 178 Cb 0.00 -2.74 -0.04 0.00 -0.44 0.00 0.00 34.13 30.91 3mqh s GLU 178 CO 0.00 -0.17 0.19 1.03 0.95 0.00 0.00 175.26 177.26 3mqh s ARG 179 N -2.19 3.57 -0.00 -4.83 0.52 -1.26 -0.99 118.95 113.76 3mqh s ARG 179 Ca 0.55 -0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.80 3mqh s ARG 179 Cb -0.29 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 3mqh s ARG 179 CO 0.36 0.74 -0.20 0.71 0.02 0.00 0.00 175.30 176.93 3mqh s TYR 180 N -0.97 2.50 -0.11 -0.53 1.51 0.31 -0.48 117.35 119.57 3mqh s TYR 180 Ca 0.16 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 3mqh s TYR 180 Cb -0.13 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 3mqh s TYR 180 CO 0.06 0.13 -0.18 0.42 -1.11 0.00 0.00 175.55 174.87 3mqh s ILE 181 N -0.76 1.67 -0.31 2.71 1.01 -0.10 -1.56 121.20 123.87 3mqh s ILE 181 Ca 0.12 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3mqh s ILE 181 Cb -0.10 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3mqh s ILE 181 CO 0.02 0.47 0.21 -0.22 0.00 0.00 0.00 174.94 175.42 3mqh s LEU 182 N 0.77 4.25 -0.19 2.97 2.96 0.19 -1.43 118.68 128.20 3mqh s LEU 182 Ca -0.11 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3mqh s LEU 182 Cb -0.16 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.45 3mqh s LEU 182 CO 0.01 -0.14 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.89 3mqh s THR 183 N 1.74 1.74 -1.39 3.68 2.01 0.19 -1.62 115.64 121.98 3mqh s THR 183 Ca 0.06 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 3mqh s THR 183 Cb -0.17 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.61 3mqh s THR 183 CO 0.11 0.25 0.61 0.47 -0.69 0.00 0.00 174.62 175.36 3mqh n ASP 184 N 4.67 -1.22 -0.61 3.53 10.43 -0.96 -1.39 116.55 130.99 3mqh n ASP 184 Ca -0.16 -0.91 -0.08 0.00 2.57 0.00 0.00 54.79 56.22 3mqh n ASP 184 Cb 0.47 -3.54 -0.03 0.00 1.84 0.00 0.00 41.12 39.85 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 -1.76 0.96 3.17 0.44 0.00 -0.93 -4.90 105.19 102.17 3mqh n GLY 185 Ca -0.26 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.17 2.16 -0.10 1.61 1.01 -0.49 -4.98 120.40 117.45 3mqh s VAL 186 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3mqh s VAL 186 Cb 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 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 -0.64 0.80 0.11 0.00 1.70 -0.51 -4.77 118.95 115.64 3mqh s ARG 188 Ca 0.17 -1.18 -0.31 0.00 -0.47 0.00 0.00 55.73 53.95 3mqh s ARG 188 Cb -0.14 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 3mqh s ARG 188 CO 0.06 -0.22 1.35 -0.51 -1.08 0.00 0.00 175.30 174.90 3mqh s LEU 189 N -2.93 4.37 0.00 -1.89 1.43 -1.26 -0.92 118.68 117.48 3mqh s LEU 189 Ca 0.11 2.28 0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3mqh s LEU 189 Cb 0.06 -3.59 0.73 0.00 0.03 0.00 0.00 46.19 43.43 3mqh s LEU 189 CO -0.07 -0.61 1.16 0.00 0.23 0.00 0.00 176.35 177.06