#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqg s HIS 0 N 0.00 0.24 0.27 1.61 -0.00 -1.26 -5.13 115.29 111.02 3mqg s HIS 0 Ca 0.00 -0.61 -0.30 0.00 -0.00 0.00 0.00 55.06 54.15 3mqg s HIS 0 Cb 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 32.58 32.51 3mqg s HIS 0 CO 0.00 -0.72 1.45 0.00 -0.00 0.00 0.00 174.74 175.47 3mqg s MET 1 N -3.93 4.24 0.37 -0.38 0.00 -1.26 -4.98 119.30 113.37 3mqg s MET 1 Ca 0.13 2.35 -0.28 0.00 0.00 0.00 0.00 55.69 57.89 3mqg s MET 1 Cb 0.03 -3.08 -0.11 0.00 0.00 0.00 0.00 34.83 31.66 3mqg s MET 1 CO -0.03 -0.44 1.44 0.00 0.00 0.00 0.00 175.02 175.99 3mqg n ALA 2 N 2.06 2.10 -2.00 3.16 0.00 -1.26 -4.99 120.51 119.58 3mqg n ALA 2 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3mqg n ALA 2 Cb 0.40 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3mqg n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mqg n THR 3 N 0.42 0.00 -4.02 0.00 -2.24 -1.26 -4.82 114.28 102.35 3mqg n THR 3 Ca 0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 3mqg n THR 3 Cb 0.38 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.28 3mqg n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3mqg s ILE 4 N 0.07 1.59 0.39 2.28 1.01 -1.26 -1.12 121.20 124.16 3mqg s ILE 4 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3mqg s ILE 4 Cb 0.00 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.86 3mqg s ILE 4 CO 0.00 0.45 1.47 -2.28 0.00 0.00 0.00 174.94 174.58 3mqg s HIS 5 N 1.48 2.56 0.63 3.97 5.65 0.10 -4.85 115.29 124.82 3mqg s HIS 5 Ca 0.05 1.19 0.35 0.00 0.25 0.00 0.00 55.06 56.89 3mqg s HIS 5 Cb -0.13 -4.00 1.98 0.00 -1.18 0.00 0.00 32.58 29.25 3mqg s HIS 5 CO -0.11 -2.98 2.21 -1.35 -0.65 0.00 0.00 174.74 171.86 3mqg h PRO 6 N 2.86 0.00 0.00 2.88 0.11 -1.93 -1.13 132.00 134.80 3mqg h PRO 6 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3mqg h PRO 6 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mqg h PRO 6 CO 0.63 0.00 -0.06 0.25 -0.21 0.00 0.00 178.00 178.61 3mqg n THR 7 N -3.42 0.25 -1.87 -1.15 -2.24 -1.26 -4.85 114.28 99.73 3mqg n THR 7 Ca -0.02 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 3mqg n THR 7 Cb 0.18 -0.47 0.04 0.00 -2.10 0.00 0.00 70.33 67.99 3mqg n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqg s ALA 8 N -3.05 2.48 -0.25 6.98 0.00 -0.43 -4.05 121.76 123.44 3mqg s ALA 8 Ca 0.12 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3mqg s ALA 8 Cb 0.16 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3mqg s ALA 8 CO 0.58 -1.23 -0.11 0.42 0.00 0.00 0.00 175.76 175.41 3mqg s ILE 9 N -2.01 2.06 -0.35 0.00 1.01 0.53 -4.93 121.20 117.51 3mqg s ILE 9 Ca 0.71 -1.52 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 3mqg s ILE 9 Cb -0.25 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.12 3mqg s ILE 9 CO 0.37 0.00 0.11 -0.69 0.00 0.00 0.00 174.94 174.73 3mqg s VAL 10 N 1.16 3.46 0.54 2.92 1.01 -1.26 -1.24 120.40 127.00 3mqg s VAL 10 Ca -0.07 -1.44 -0.19 0.00 0.00 0.00 0.00 61.98 60.28 3mqg s VAL 10 Cb -0.19 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 3mqg s VAL 10 CO -0.06 -0.30 1.09 -1.81 0.00 0.00 0.00 175.10 174.03 3mqg s ASP 11 N 1.52 5.84 0.25 3.32 1.01 -0.24 -4.91 116.67 123.46 3mqg s ASP 11 Ca -0.00 2.05 -0.31 0.00 0.71 0.00 0.00 52.55 54.99 3mqg s ASP 11 Cb -0.21 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.03 3mqg s ASP 11 CO -0.00 -1.13 1.58 1.21 0.21 0.00 0.00 175.17 177.03 3mqg n GLU 12 N -1.41 2.50 0.00 8.23 4.07 -1.26 -1.98 120.64 130.79 3mqg n GLU 12 Ca 0.10 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 3mqg n GLU 12 Cb 0.52 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.24 3mqg n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mqg n GLY 13 N 2.67 2.95 3.77 8.31 0.00 -1.26 -4.42 105.19 117.21 3mqg n GLY 13 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3mqg n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 14 N -2.61 3.30 -0.27 4.61 0.00 -0.84 -4.71 121.76 121.24 3mqg s ALA 14 Ca 0.00 1.24 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 3mqg s ALA 14 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3mqg s ALA 14 CO 0.00 -0.80 0.04 0.50 0.00 0.00 0.00 175.76 175.50 3mqg s ARG 15 N -2.17 3.14 -0.11 0.00 3.52 -0.64 -5.02 118.95 117.67 3mqg s ARG 15 Ca 0.55 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 3mqg s ARG 15 Cb -0.38 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3mqg s ARG 15 CO 0.50 -0.38 -0.21 0.42 -0.81 0.00 0.00 175.30 174.82 3mqg s ILE 16 N 1.48 1.92 0.83 4.11 1.01 -1.26 -0.60 121.20 128.69 3mqg s ILE 16 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3mqg s ILE 16 Cb -0.16 -1.69 0.09 0.00 0.01 0.00 0.00 42.46 40.70 3mqg s ILE 16 CO 0.01 0.53 1.11 -0.83 0.00 0.00 0.00 174.94 175.76 3mqg s GLY 17 N 0.58 1.61 0.61 6.18 0.00 0.28 -4.99 107.32 111.59 3mqg s GLY 17 Ca -0.14 -0.34 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 3mqg s GLY 17 CO 0.04 0.13 1.31 0.00 0.00 0.00 0.00 173.10 174.58 3mqg s ALA 18 N -3.23 2.55 -0.71 3.20 0.00 -1.26 -3.38 121.76 118.93 3mqg s ALA 18 Ca 0.62 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3mqg s ALA 18 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3mqg s ALA 18 CO 0.53 -1.48 0.00 0.72 0.00 0.00 0.00 175.76 175.53 3mqg n HIS 19 N -1.55 0.00 -3.16 0.00 8.25 -1.26 -1.33 115.22 116.16 3mqg n HIS 19 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 3mqg n HIS 19 Cb 0.47 -1.75 -0.06 0.00 1.12 0.00 0.00 29.99 29.77 3mqg n HIS 19 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mqg s SER 20 N -2.49 6.84 -0.12 0.41 0.01 -1.22 -3.72 113.70 113.42 3mqg s SER 20 Ca 0.00 1.28 0.01 0.00 1.31 0.00 0.00 55.95 58.55 3mqg s SER 20 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 3mqg s SER 20 CO 0.00 -0.11 -0.16 -0.13 0.41 0.00 0.00 173.24 173.24 3mqg s ARG 21 N -2.64 3.26 -0.16 12.44 0.52 0.10 -4.73 118.95 127.75 3mqg s ARG 21 Ca 0.50 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3mqg s ARG 21 Cb -0.12 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 32.84 3mqg s ARG 21 CO 0.19 0.21 -0.17 0.42 0.02 0.00 0.00 175.30 175.97 3mqg s ILE 22 N 0.32 1.79 0.00 1.52 -1.09 -0.28 -0.70 121.20 122.76 3mqg s ILE 22 Ca -0.13 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 3mqg s ILE 22 Cb -0.16 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 3mqg s ILE 22 CO 0.07 0.49 0.00 0.79 -1.23 0.00 0.00 174.94 175.06 3mqg n TRP 23 N 4.68 -1.23 -1.82 3.97 7.02 0.04 -0.73 117.44 129.37 3mqg n TRP 23 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 3mqg n TRP 23 Cb 0.50 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.36 3mqg n TRP 23 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3mqg s HIS 24 N 1.26 2.94 -1.40 -5.99 3.76 -1.26 -3.49 115.29 111.10 3mqg s HIS 24 Ca 0.00 0.54 -0.08 0.00 -0.15 0.00 0.00 55.06 55.37 3mqg s HIS 24 Cb 0.00 -4.04 0.04 0.00 1.11 0.00 0.00 32.58 29.69 3mqg s HIS 24 CO 0.00 -3.83 0.95 0.91 -0.85 0.00 0.00 174.74 171.93 3mqg n TRP 25 N 3.60 -2.32 -3.30 1.40 8.01 -1.26 -1.63 117.44 121.94 3mqg n TRP 25 Ca 0.14 0.92 -0.39 0.00 -1.31 0.00 0.00 57.50 56.86 3mqg n TRP 25 Cb 0.37 -4.43 -0.06 0.00 -2.01 0.00 0.00 31.31 25.18 3mqg n TRP 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mqg s VAL 26 N -3.41 4.81 -0.17 -0.99 1.01 -1.23 -3.23 120.40 117.18 3mqg s VAL 26 Ca 0.41 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.55 3mqg s VAL 26 Cb -0.20 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3mqg s VAL 26 CO 0.79 0.54 -0.18 -2.28 0.00 0.00 0.00 175.10 173.98 3mqg s HIS 27 N -0.98 2.78 -0.19 5.22 2.46 -0.80 -0.34 115.29 123.43 3mqg s HIS 27 Ca 0.28 -1.44 -0.03 0.00 0.47 0.00 0.00 55.06 54.35 3mqg s HIS 27 Cb -0.19 -1.92 -0.01 0.00 -0.13 0.00 0.00 32.58 30.33 3mqg s HIS 27 CO 0.18 -0.70 -0.06 0.42 -2.47 0.00 0.00 174.74 172.11 3mqg s ILE 28 N 1.17 3.41 0.70 0.89 1.01 -0.38 -1.05 121.20 126.96 3mqg s ILE 28 Ca 0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3mqg s ILE 28 Cb -0.14 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3mqg s ILE 28 CO -0.08 0.46 1.07 0.00 0.00 0.00 0.00 174.94 176.38 3mqg h GLY 30 N -0.71 0.00 1.29 0.00 0.00 -1.77 -2.71 103.07 99.17 3mqg h GLY 30 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mqg h GLY 30 CO 0.56 0.00 -0.20 0.61 0.00 0.00 0.00 176.54 177.51 3mqg n GLY 31 N -0.97 -1.22 3.77 4.60 0.00 -1.26 -1.98 105.19 108.14 3mqg n GLY 31 Ca -0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3mqg n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 32 N -2.82 2.56 -0.06 4.61 0.00 -1.02 -4.66 121.76 120.37 3mqg s ALA 32 Ca 0.18 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3mqg s ALA 32 Cb 0.19 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3mqg s ALA 32 CO 0.57 -1.10 -0.13 -1.21 0.00 0.00 0.00 175.76 173.89 3mqg s GLU 33 N -3.89 1.67 -0.04 0.00 2.02 -0.93 -1.62 118.70 115.89 3mqg s GLU 33 Ca 0.68 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.26 3mqg s GLU 33 Cb -0.21 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.65 3mqg s GLU 33 CO 0.37 0.06 -0.08 0.42 0.02 0.00 0.00 175.26 176.05 3mqg s ILE 34 N 0.57 0.75 0.00 -1.63 1.01 0.24 -0.84 121.20 121.29 3mqg s ILE 34 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3mqg s ILE 34 Cb -0.15 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.61 3mqg s ILE 34 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3mqg n GLY 35 N 3.76 -0.59 3.85 6.18 0.00 -0.25 -0.56 105.19 117.59 3mqg n GLY 35 Ca -0.23 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3mqg n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqg s GLU 36 N 0.00 3.89 -0.37 1.61 2.02 -1.26 -2.43 118.70 122.15 3mqg s GLU 36 Ca 0.00 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.35 3mqg s GLU 36 Cb 0.00 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3mqg s GLU 36 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3mqg n GLY 37 N 0.83 0.65 3.90 -1.39 0.00 -0.44 -0.70 105.19 108.04 3mqg n GLY 37 Ca -0.06 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 3mqg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s SER 39 N -4.19 1.18 -0.21 0.00 0.15 -0.52 -0.72 113.70 109.39 3mqg s SER 39 Ca 0.51 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.01 3mqg s SER 39 Cb -0.11 -0.54 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 3mqg s SER 39 CO 0.48 -0.04 -0.12 -0.76 1.20 0.00 0.00 173.24 174.00 3mqg s LEU 40 N 0.91 2.46 1.03 3.45 1.02 0.12 -0.33 118.68 127.35 3mqg s LEU 40 Ca -0.11 -0.94 -0.17 0.00 0.02 0.00 0.00 54.13 52.93 3mqg s LEU 40 Cb -0.15 -1.32 0.23 0.00 0.02 0.00 0.00 46.19 44.97 3mqg s LEU 40 CO 0.00 -0.13 1.26 -0.83 0.02 0.00 0.00 176.35 176.67 3mqg s GLY 41 N 1.33 1.72 0.04 -3.19 0.00 0.14 -0.78 107.32 106.58 3mqg s GLY 41 Ca -0.02 -1.13 -0.37 0.00 0.00 0.00 0.00 44.72 43.20 3mqg s GLY 41 CO -0.08 -0.32 1.40 -0.18 0.00 0.00 0.00 173.10 173.92 3mqg n GLN 42 N -4.07 1.16 -1.61 2.90 7.27 -1.26 -1.91 117.38 119.87 3mqg n GLN 42 Ca 0.15 0.42 -0.15 0.00 0.07 0.00 0.00 57.00 57.48 3mqg n GLN 42 Cb 0.59 -2.07 -0.05 0.00 2.41 0.00 0.00 30.24 31.12 3mqg n GLN 42 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3mqg n ASN 43 N 2.95 -4.80 -4.75 1.69 5.15 -0.65 -1.24 115.26 113.60 3mqg n ASN 43 Ca 0.19 0.30 -0.37 0.00 -0.60 0.00 0.00 54.58 54.11 3mqg n ASN 43 Cb 0.18 -3.71 0.03 0.00 -0.53 0.00 0.00 39.78 35.76 3mqg n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mqg s VAL 44 N -2.61 2.54 -0.02 3.44 1.01 -0.80 -4.35 120.40 119.61 3mqg s VAL 44 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3mqg s VAL 44 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3mqg s VAL 44 CO 0.00 -0.05 -0.22 0.12 0.00 0.00 0.00 175.10 174.95 3mqg s PHE 45 N -1.51 2.01 -0.09 5.22 5.36 -0.83 -1.91 117.98 126.22 3mqg s PHE 45 Ca 0.75 -0.40 -0.00 0.00 -0.96 0.00 0.00 56.93 56.32 3mqg s PHE 45 Cb -0.33 -1.30 0.02 0.00 -0.34 0.00 0.00 43.02 41.08 3mqg s PHE 45 CO 0.36 -0.05 -0.06 0.08 -1.46 0.00 0.00 175.22 174.09 3mqg s VAL 46 N -0.47 0.87 0.54 3.12 1.01 -0.21 0.01 120.40 125.25 3mqg s VAL 46 Ca 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 3mqg s VAL 46 Cb -0.09 -0.90 0.13 0.00 0.00 0.00 0.00 36.38 35.52 3mqg s VAL 46 CO -0.00 0.33 0.56 0.61 0.00 0.00 0.00 175.10 176.59 3mqg n GLY 47 N 4.73 -2.14 0.10 4.51 0.00 0.06 -0.67 105.19 111.79 3mqg n GLY 47 Ca -0.14 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 3mqg n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mqg h ASN 48 N -1.47 0.36 -1.51 1.61 2.35 -1.89 -3.34 115.58 111.69 3mqg h ASN 48 Ca -0.20 -0.96 -0.76 0.00 -0.55 0.00 0.00 56.30 53.83 3mqg h ASN 48 Cb 0.58 -0.12 -0.16 0.00 0.05 0.00 0.00 38.32 38.67 3mqg h ASN 48 CO 0.13 1.31 1.96 -1.14 -1.65 0.00 0.00 177.43 178.04 3mqg n ARG 49 N -4.23 3.90 -3.78 0.81 0.63 -1.26 -2.96 116.66 109.76 3mqg n ARG 49 Ca -0.13 -3.63 -0.13 0.00 -0.92 0.00 0.00 57.85 53.03 3mqg n ARG 49 Cb 0.75 -2.83 -0.14 0.00 0.45 0.00 0.00 32.46 30.69 3mqg n ARG 49 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqg s VAL 50 N -0.27 -0.03 -0.08 5.15 1.01 -1.26 -0.22 120.40 124.70 3mqg s VAL 50 Ca 0.41 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.52 3mqg s VAL 50 Cb 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.28 3mqg s VAL 50 CO -0.00 0.04 -0.16 -0.13 0.00 0.00 0.00 175.10 174.85 3mqg s ARG 51 N 0.70 2.18 -0.11 2.72 0.52 -1.23 -2.20 118.95 121.53 3mqg s ARG 51 Ca -0.05 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3mqg s ARG 51 Cb -0.07 -1.72 0.01 0.00 0.52 0.00 0.00 34.95 33.69 3mqg s ARG 51 CO -0.03 0.08 -0.18 0.42 0.02 0.00 0.00 175.30 175.61 3mqg s ILE 52 N 0.54 1.67 0.00 1.52 1.01 -0.02 -1.07 121.20 124.85 3mqg s ILE 52 Ca -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3mqg s ILE 52 Cb -0.17 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3mqg s ILE 52 CO 0.06 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3mqg n GLY 53 N 3.97 -0.04 3.87 6.18 0.00 0.37 -1.09 105.19 118.45 3mqg n GLY 53 Ca -0.20 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3mqg n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqg s ASN 54 N -1.17 6.60 -1.43 1.61 0.01 -1.26 -2.03 114.94 117.26 3mqg s ASN 54 Ca 0.00 0.71 -0.05 0.00 -0.71 0.00 0.00 52.86 52.81 3mqg s ASN 54 Cb 0.00 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.52 3mqg s ASN 54 CO 0.00 0.24 0.68 -1.14 -1.51 0.00 0.00 177.10 175.37 3mqg n ARG 55 N 1.19 -5.18 -3.05 -0.60 0.63 0.12 -1.25 116.66 108.52 3mqg n ARG 55 Ca -0.11 0.85 -0.40 0.00 -0.92 0.00 0.00 57.85 57.27 3mqg n ARG 55 Cb 0.53 -5.63 -0.05 0.00 0.45 0.00 0.00 32.46 27.76 3mqg n ARG 55 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqg s VAL 56 N -3.18 5.02 -0.28 5.15 1.01 -1.26 -3.39 120.40 123.47 3mqg s VAL 56 Ca 0.34 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.65 3mqg s VAL 56 Cb -0.15 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3mqg s VAL 56 CO 0.42 0.18 0.04 -0.54 0.00 0.00 0.00 175.10 175.20 3mqg s LYS 57 N 1.31 3.02 -0.28 2.72 1.02 -0.56 -1.44 119.74 125.53 3mqg s LYS 57 Ca 0.35 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 3mqg s LYS 57 Cb -0.17 -3.27 0.05 0.00 -0.52 0.00 0.00 37.83 33.92 3mqg s LYS 57 CO 0.15 -0.43 -0.04 0.42 -0.92 0.00 0.00 175.35 174.52 3mqg s ILE 58 N 1.45 2.77 0.92 2.17 1.01 0.56 -0.54 121.20 129.55 3mqg s ILE 58 Ca 0.02 -1.35 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 3mqg s ILE 58 Cb -0.17 -2.55 0.22 0.00 0.01 0.00 0.00 42.46 39.96 3mqg s ILE 58 CO 0.01 -0.01 1.17 0.00 0.00 0.00 0.00 174.94 176.10 3mqg n GLN 59 N 4.59 -1.48 -1.69 2.79 1.13 -0.27 -0.68 117.38 121.77 3mqg n GLN 59 Ca -0.14 -1.81 -0.39 0.00 -1.94 0.00 0.00 57.00 52.72 3mqg n GLN 59 Cb 0.44 -1.28 0.04 0.00 0.11 0.00 0.00 30.24 29.55 3mqg n GLN 59 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3mqg n ASN 60 N -3.94 2.03 -1.64 1.08 3.02 -1.26 -3.48 115.26 111.07 3mqg n ASN 60 Ca 0.15 0.95 -0.15 0.00 -0.03 0.00 0.00 54.58 55.50 3mqg n ASN 60 Cb 0.52 -1.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.19 3mqg n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mqg n ASN 61 N -0.69 -4.45 -4.64 6.41 3.02 -0.37 -0.78 115.26 113.76 3mqg n ASN 61 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 3mqg n ASN 61 Cb 0.44 -3.58 -0.10 0.00 -0.61 0.00 0.00 39.78 35.93 3mqg n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqg s VAL 62 N -2.72 5.03 -0.39 2.41 1.01 -1.23 -4.31 120.40 120.20 3mqg s VAL 62 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3mqg s VAL 62 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.12 3mqg s VAL 62 CO 0.00 0.41 0.24 -0.44 0.00 0.00 0.00 175.10 175.31 3mqg s SER 63 N 0.69 5.80 -1.01 3.32 0.01 -1.26 -1.96 113.70 119.28 3mqg s SER 63 Ca 0.06 -1.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.05 3mqg s SER 63 Cb -0.13 -2.05 0.16 0.00 0.21 0.00 0.00 66.02 64.22 3mqg s SER 63 CO 0.01 -0.44 1.18 -0.69 0.41 0.00 0.00 173.24 173.71 3mqg s VAL 64 N 1.55 4.99 0.84 3.43 1.01 0.10 -4.22 120.40 128.11 3mqg s VAL 64 Ca 0.03 -2.10 -0.11 0.00 0.00 0.00 0.00 61.98 59.79 3mqg s VAL 64 Cb -0.20 -4.78 0.10 0.00 0.00 0.00 0.00 36.38 31.50 3mqg s VAL 64 CO 0.06 -1.47 1.09 -0.31 0.00 0.00 0.00 175.10 174.47 3mqg s TYR 65 N 1.84 2.43 0.13 5.22 2.02 -1.26 -0.76 117.35 126.97 3mqg s TYR 65 Ca 0.34 1.38 -0.33 0.00 -0.37 0.00 0.00 57.07 58.09 3mqg s TYR 65 Cb -0.05 -3.11 -0.18 0.00 -0.40 0.00 0.00 41.96 38.22 3mqg s TYR 65 CO -0.06 -2.14 0.78 -0.25 -1.57 0.00 0.00 175.55 172.31 3mqg n ASP 66 N -3.73 -0.53 0.00 2.29 8.00 -1.26 -2.23 116.55 119.08 3mqg n ASP 66 Ca 0.08 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3mqg n ASP 66 Cb 0.54 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3mqg n ASP 66 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mqg n ASN 67 N 1.80 -2.13 -4.52 -2.24 3.02 0.70 -4.75 115.26 107.14 3mqg n ASN 67 Ca 0.18 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.40 3mqg n ASN 67 Cb 0.19 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.89 3mqg n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqg s VAL 68 N -2.00 3.69 -0.07 2.41 1.01 -0.95 -0.96 120.40 123.53 3mqg s VAL 68 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3mqg s VAL 68 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3mqg s VAL 68 CO 0.00 0.55 -0.03 -0.36 0.00 0.00 0.00 175.10 175.26 3mqg s PHE 69 N -0.21 0.89 -0.21 5.22 0.08 -0.27 -3.58 117.98 119.90 3mqg s PHE 69 Ca 0.03 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.78 3mqg s PHE 69 Cb -0.13 -0.85 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 3mqg s PHE 69 CO 0.03 -0.32 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.16 3mqg s LEU 70 N 1.52 2.55 1.05 -0.37 1.43 -0.23 -0.84 118.68 123.80 3mqg s LEU 70 Ca -0.01 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 3mqg s LEU 70 Cb -0.13 -1.53 0.22 0.00 0.03 0.00 0.00 46.19 44.77 3mqg s LEU 70 CO -0.04 -0.05 1.14 -1.61 0.23 0.00 0.00 176.35 176.02 3mqg s GLU 71 N 1.27 -0.01 0.41 1.70 2.02 0.04 -0.48 118.70 123.65 3mqg s GLU 71 Ca 0.02 0.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.87 3mqg s GLU 71 Cb -0.15 -1.72 -0.11 0.00 0.10 0.00 0.00 34.13 32.25 3mqg s GLU 71 CO -0.10 -2.94 1.11 -0.25 0.02 0.00 0.00 175.26 173.11 3mqg n ASP 72 N -4.25 1.78 -0.46 -0.19 10.43 -1.26 -2.84 116.55 119.76 3mqg n ASP 72 Ca 0.10 1.08 -0.06 0.00 2.57 0.00 0.00 54.79 58.48 3mqg n ASP 72 Cb 0.59 -1.40 -0.03 0.00 1.84 0.00 0.00 41.12 42.12 3mqg n ASP 72 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3mqg n ASP 73 N 0.47 -4.22 -4.78 -2.24 8.00 -0.38 -1.35 116.55 112.05 3mqg n ASP 73 Ca 0.08 0.15 -0.36 0.00 0.71 0.00 0.00 54.79 55.37 3mqg n ASP 73 Cb 0.39 -2.25 -0.03 0.00 -0.02 0.00 0.00 41.12 39.21 3mqg n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqg s VAL 74 N -2.05 3.53 -0.17 2.53 1.01 -1.13 -3.23 120.40 120.88 3mqg s VAL 74 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.13 3mqg s VAL 74 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3mqg s VAL 74 CO 0.00 -0.03 -0.20 0.12 0.00 0.00 0.00 175.10 174.99 3mqg s PHE 75 N -1.66 2.76 -0.35 5.22 5.36 -0.30 -1.49 117.98 127.51 3mqg s PHE 75 Ca 0.61 -1.61 -0.09 0.00 -0.96 0.00 0.00 56.93 54.88 3mqg s PHE 75 Cb -0.23 -1.90 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 3mqg s PHE 75 CO 0.29 -0.78 0.15 0.00 -1.46 0.00 0.00 175.22 173.42 3mqg s GLY 77 N 1.48 1.58 -0.07 0.00 0.00 0.97 -1.11 107.32 110.16 3mqg s GLY 77 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 44.72 44.10 3mqg s GLY 77 CO 0.05 0.33 1.63 -1.05 0.00 0.00 0.00 173.10 174.06 3mqg n PRO 78 N -4.16 1.49 -1.92 2.90 -0.02 -1.26 -1.88 135.00 130.15 3mqg n PRO 78 Ca 0.06 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.87 3mqg n PRO 78 Cb 0.56 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3mqg n PRO 78 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3mqg n SER 79 N 4.52 -5.66 -4.76 2.55 7.64 0.04 -0.81 113.62 117.14 3mqg n SER 79 Ca 0.22 0.30 -0.31 0.00 1.01 0.00 0.00 58.87 60.09 3mqg n SER 79 Cb 0.20 -4.86 0.09 0.00 -1.01 0.00 0.00 64.21 58.63 3mqg n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mqg s MET 80 N -4.27 2.19 -0.09 1.43 0.23 -0.79 -3.73 119.30 114.26 3mqg s MET 80 Ca 0.00 1.24 0.01 0.00 -1.03 0.00 0.00 55.69 55.90 3mqg s MET 80 Cb 0.00 -1.88 0.02 0.00 -1.53 0.00 0.00 34.83 31.44 3mqg s MET 80 CO 0.00 -1.70 -0.08 0.08 -2.03 0.00 0.00 175.02 171.28 3mqg s VAL 81 N -2.81 0.99 0.31 5.16 1.01 0.11 -4.42 120.40 120.76 3mqg s VAL 81 Ca 0.62 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3mqg s VAL 81 Cb -0.18 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3mqg s VAL 81 CO 0.55 0.35 0.47 -0.36 0.00 0.00 0.00 175.10 176.10 3mqg s PHE 82 N 1.31 3.36 0.10 5.22 0.08 -1.26 -0.85 117.98 125.94 3mqg s PHE 82 Ca -0.03 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 3mqg s PHE 82 Cb -0.14 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3mqg s PHE 82 CO -0.03 0.17 0.02 0.95 -0.10 0.00 0.00 175.22 176.22 3mqg s THR 83 N -2.17 0.16 0.00 0.64 -4.23 -1.19 -4.90 115.64 103.95 3mqg s THR 83 Ca 0.40 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3mqg s THR 83 Cb -0.09 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.92 3mqg s THR 83 CO 0.32 -0.69 0.10 -0.46 -0.54 0.00 0.00 174.62 173.35 3mqg n ASN 84 N -0.01 0.19 -4.07 3.99 0.23 -1.26 -4.13 115.26 110.20 3mqg n ASN 84 Ca -0.09 -1.00 -0.26 0.00 -0.53 0.00 0.00 54.58 52.69 3mqg n ASN 84 Cb 0.63 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.16 3mqg n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mqg s VAL 85 N -0.00 1.35 0.01 3.53 1.01 -1.26 -2.10 120.40 122.94 3mqg s VAL 85 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3mqg s VAL 85 Cb 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 36.38 34.98 3mqg s VAL 85 CO 0.00 0.40 1.20 0.22 0.00 0.00 0.00 175.10 176.92 3mqg h TYR 86 N 6.91 0.47 -2.12 5.22 5.03 -1.89 -3.40 116.97 127.20 3mqg h TYR 86 Ca -0.28 -0.20 -0.54 0.00 2.58 0.00 0.00 58.73 60.29 3mqg h TYR 86 Cb 1.20 -0.08 -0.41 0.00 1.55 0.00 0.00 36.73 39.00 3mqg h TYR 86 CO 0.48 0.94 -0.94 0.27 -1.32 0.00 0.00 178.16 177.59 3mqg n ASN 87 N -4.42 2.29 -4.76 -2.11 6.94 -1.26 -5.00 115.26 106.94 3mqg n ASN 87 Ca -0.08 -3.25 -0.41 0.00 -0.02 0.00 0.00 54.58 50.81 3mqg n ASN 87 Cb 0.50 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 37.31 3mqg n ASN 87 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3mqg n PRO 88 N 0.27 2.67 -4.31 -0.53 -0.04 -1.26 -5.02 135.00 126.77 3mqg n PRO 88 Ca 0.27 0.94 -0.20 0.00 -0.04 0.00 0.00 63.50 64.47 3mqg n PRO 88 Cb 0.53 -2.69 -0.16 0.00 -0.04 0.00 0.00 33.50 31.14 3mqg n PRO 88 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3mqg s ARG 89 N -1.31 0.96 0.37 0.54 1.81 -1.26 -5.06 118.95 114.99 3mqg s ARG 89 Ca 0.59 -0.23 0.04 0.00 -1.72 0.00 0.00 55.73 54.40 3mqg s ARG 89 Cb -0.49 -0.90 0.70 0.00 -0.45 0.00 0.00 34.95 33.81 3mqg s ARG 89 CO 0.56 0.03 2.01 0.00 -0.68 0.00 0.00 175.30 177.23 3mqg h ALA 90 N 6.72 1.58 -0.12 2.13 0.00 -2.04 -1.94 119.26 125.59 3mqg h ALA 90 Ca -0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3mqg h ALA 90 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mqg h ALA 90 CO 0.48 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3mqg n ALA 91 N -2.45 2.54 -3.95 0.00 0.00 -1.26 -4.71 120.51 110.67 3mqg n ALA 91 Ca 0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 3mqg n ALA 91 Cb 0.06 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 3mqg n ALA 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mqg s ILE 92 N -1.85 1.64 0.10 0.00 1.01 -0.73 -5.11 121.20 116.27 3mqg s ILE 92 Ca 0.29 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 3mqg s ILE 92 Cb 0.15 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.60 3mqg s ILE 92 CO 0.23 -0.17 1.54 -1.61 0.00 0.00 0.00 174.94 174.92 3mqg s GLU 93 N 1.33 4.24 -0.06 2.79 2.02 -1.26 -4.58 118.70 123.17 3mqg s GLU 93 Ca -0.04 2.24 0.11 0.00 0.02 0.00 0.00 54.97 57.30 3mqg s GLU 93 Cb -0.19 -3.37 0.20 0.00 0.10 0.00 0.00 34.13 30.87 3mqg s GLU 93 CO -0.07 -0.61 1.10 0.54 0.02 0.00 0.00 175.26 176.24 3mqg n ARG 94 N 4.66 0.59 -0.34 1.61 1.74 -1.26 -4.78 116.66 118.88 3mqg n ARG 94 Ca 0.14 -1.90 0.03 0.00 -0.77 0.00 0.00 57.85 55.36 3mqg n ARG 94 Cb 0.41 -0.88 0.18 0.00 -1.02 0.00 0.00 32.46 31.15 3mqg n ARG 94 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3mqg h LYS 95 N 0.24 0.96 0.00 5.56 1.57 -1.98 -0.92 116.57 122.00 3mqg h LYS 95 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mqg h LYS 95 Cb 1.29 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3mqg h LYS 95 CO 0.01 0.64 0.00 0.45 -0.57 0.00 0.00 179.45 179.98 3mqg n SER 96 N -4.62 0.00 -0.04 0.86 2.88 -1.26 -2.95 113.62 108.50 3mqg n SER 96 Ca 0.15 0.19 0.03 0.00 -1.33 0.00 0.00 58.87 57.91 3mqg n SER 96 Cb 0.25 -0.32 0.04 0.00 -0.75 0.00 0.00 64.21 63.43 3mqg n SER 96 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mqg n GLU 97 N -1.32 2.20 -1.62 -1.46 1.02 -0.37 -5.05 120.64 114.05 3mqg n GLU 97 Ca 0.05 -1.67 -0.38 0.00 -0.02 0.00 0.00 57.16 55.14 3mqg n GLU 97 Cb 0.09 -1.07 0.05 0.00 -0.02 0.00 0.00 31.44 30.50 3mqg n GLU 97 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mqg n TYR 98 N -0.68 0.82 -5.17 -0.32 4.01 -1.13 -4.78 117.16 109.91 3mqg n TYR 98 Ca 0.04 0.43 -0.32 0.00 -0.16 0.00 0.00 57.90 57.90 3mqg n TYR 98 Cb 0.39 -2.14 -0.15 0.00 -0.31 0.00 0.00 39.34 37.13 3mqg n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mqg s ARG 99 N -2.77 2.32 0.42 -0.72 0.52 -0.89 -5.03 118.95 112.79 3mqg s ARG 99 Ca 0.76 -0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 54.88 3mqg s ARG 99 Cb -0.42 -2.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 3mqg s ARG 99 CO 0.47 0.54 1.11 -0.51 0.02 0.00 0.00 175.30 176.93 3mqg s ASP 100 N -0.55 6.53 -0.18 0.23 1.01 -1.26 -4.08 116.67 118.36 3mqg s ASP 100 Ca 0.08 2.17 0.01 0.00 0.71 0.00 0.00 52.55 55.52 3mqg s ASP 100 Cb -0.11 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3mqg s ASP 100 CO 0.00 -0.66 -0.20 -0.89 0.21 0.00 0.00 175.17 173.64 3mqg s THR 101 N -1.58 2.05 -0.14 -1.27 2.01 -0.13 -2.36 115.64 114.21 3mqg s THR 101 Ca 0.59 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3mqg s THR 101 Cb -0.26 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3mqg s THR 101 CO 0.32 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.97 3mqg s ILE 102 N 1.27 2.41 -0.26 1.82 1.01 -1.13 -1.12 121.20 125.21 3mqg s ILE 102 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3mqg s ILE 102 Cb -0.13 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3mqg s ILE 102 CO -0.12 0.53 -0.02 -0.69 0.00 0.00 0.00 174.94 174.63 3mqg s VAL 103 N 0.73 3.16 0.74 2.92 1.01 -0.02 -1.20 120.40 127.74 3mqg s VAL 103 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 3mqg s VAL 103 Cb -0.16 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.65 3mqg s VAL 103 CO 0.01 0.17 1.12 -0.13 0.00 0.00 0.00 175.10 176.26 3mqg s ARG 104 N 1.37 2.53 0.09 2.72 1.81 0.03 -0.78 118.95 126.73 3mqg s ARG 104 Ca 0.01 0.30 -0.36 0.00 -1.72 0.00 0.00 55.73 53.95 3mqg s ARG 104 Cb -0.17 -2.01 -0.17 0.00 -0.45 0.00 0.00 34.95 32.15 3mqg s ARG 104 CO -0.03 -1.22 1.29 0.94 -0.68 0.00 0.00 175.30 175.60 3mqg n GLN 105 N -3.10 1.06 -0.12 3.54 7.27 -1.26 -2.08 117.38 122.70 3mqg n GLN 105 Ca 0.07 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3mqg n GLN 105 Cb 0.59 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.25 3mqg n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mqg n GLY 106 N 2.37 2.29 3.75 1.69 0.00 -0.45 -1.20 105.19 113.63 3mqg n GLY 106 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3mqg n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 107 N -2.95 2.62 -0.14 4.61 0.00 -0.88 -4.05 121.76 120.97 3mqg s ALA 107 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3mqg s ALA 107 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3mqg s ALA 107 CO 0.00 -1.29 -0.15 0.99 0.00 0.00 0.00 175.76 175.31 3mqg s THR 108 N -1.45 2.75 -0.35 0.00 2.01 -0.18 -1.16 115.64 117.26 3mqg s THR 108 Ca 0.76 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 3mqg s THR 108 Cb -0.35 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.07 3mqg s THR 108 CO 0.39 0.52 0.12 -0.76 -0.69 0.00 0.00 174.62 174.21 3mqg s LEU 109 N 0.57 4.46 0.87 4.42 1.43 0.49 -0.80 118.68 130.11 3mqg s LEU 109 Ca -0.09 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.63 3mqg s LEU 109 Cb -0.16 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.31 3mqg s LEU 109 CO 0.04 -0.36 1.13 -0.83 0.23 0.00 0.00 176.35 176.55 3mqg s GLY 110 N 1.52 1.68 0.09 -3.19 0.00 0.74 -0.02 107.32 108.15 3mqg s GLY 110 Ca -0.01 0.47 -0.36 0.00 0.00 0.00 0.00 44.72 44.82 3mqg s GLY 110 CO 0.02 0.87 1.34 0.00 0.00 0.00 0.00 173.10 175.33 3mqg n ALA 111 N -4.00 -0.86 -1.55 3.20 0.00 -1.26 -1.71 120.51 114.34 3mqg n ALA 111 Ca 0.11 0.51 -0.18 0.00 0.00 0.00 0.00 53.44 53.88 3mqg n ALA 111 Cb 0.52 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3mqg n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mqg n ASN 112 N 2.54 -5.18 -4.51 0.00 2.85 0.01 -0.62 115.26 110.34 3mqg n ASN 112 Ca 0.18 0.43 -0.29 0.00 -0.11 0.00 0.00 54.58 54.79 3mqg n ASN 112 Cb 0.20 -4.28 0.15 0.00 1.24 0.00 0.00 39.78 37.09 3mqg n ASN 112 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mqg s THR 114 N -3.46 0.18 -0.29 0.00 2.01 -0.12 -0.71 115.64 113.25 3mqg s THR 114 Ca 0.67 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 3mqg s THR 114 Cb -0.11 -0.21 0.04 0.00 0.01 0.00 0.00 72.50 72.23 3mqg s THR 114 CO 0.53 0.10 0.01 -0.69 -0.69 0.00 0.00 174.62 173.87 3mqg s VAL 115 N 0.46 3.18 0.08 3.82 1.01 -0.03 -0.54 120.40 128.38 3mqg s VAL 115 Ca -0.04 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 3mqg s VAL 115 Cb -0.07 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 3mqg s VAL 115 CO -0.01 -0.02 1.30 -0.69 0.00 0.00 0.00 175.10 175.68 3mqg s VAL 116 N 1.32 3.67 0.43 2.92 1.01 0.26 -3.17 120.40 126.83 3mqg s VAL 116 Ca -0.03 1.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.90 3mqg s VAL 116 Cb -0.19 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 3mqg s VAL 116 CO -0.01 0.09 1.13 0.00 0.00 0.00 0.00 175.10 176.30 3mqg n GLY 118 N 1.02 3.14 3.78 0.00 0.00 -1.00 -4.85 105.19 107.29 3mqg n GLY 118 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3mqg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 119 N -2.77 2.88 -0.12 4.61 0.00 -1.11 -4.88 121.76 120.38 3mqg s ALA 119 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 3mqg s ALA 119 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3mqg s ALA 119 CO 0.00 -0.51 -0.06 0.99 0.00 0.00 0.00 175.76 176.18 3mqg s THR 120 N -1.76 3.76 -0.22 0.00 2.01 -1.26 -2.83 115.64 115.33 3mqg s THR 120 Ca 0.66 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 3mqg s THR 120 Cb -0.22 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 3mqg s THR 120 CO 0.27 0.54 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.08 3mqg s ILE 121 N -0.10 3.57 0.92 1.82 1.01 -0.34 -1.05 121.20 127.02 3mqg s ILE 121 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 3mqg s ILE 121 Cb -0.13 -2.63 0.14 0.00 0.01 0.00 0.00 42.46 39.85 3mqg s ILE 121 CO 0.03 0.41 1.13 -0.83 0.00 0.00 0.00 174.94 175.68 3mqg s GLY 122 N 1.44 1.57 0.22 6.18 0.00 0.37 -0.78 107.32 116.32 3mqg s GLY 122 Ca 0.05 -0.50 -0.32 0.00 0.00 0.00 0.00 44.72 43.95 3mqg s GLY 122 CO -0.02 0.06 1.64 0.54 0.00 0.00 0.00 173.10 175.32 3mqg n ARG 123 N -3.82 2.58 -1.37 2.90 1.74 -1.26 -1.74 116.66 115.68 3mqg n ARG 123 Ca 0.06 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 57.94 3mqg n ARG 123 Cb 0.59 -2.72 -0.05 0.00 -1.02 0.00 0.00 32.46 29.25 3mqg n ARG 123 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mqg n TYR 124 N 3.22 0.00 -0.69 -1.55 4.01 -0.34 -0.70 117.16 121.11 3mqg n TYR 124 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.57 3mqg n TYR 124 Cb 0.34 -2.80 0.16 0.00 -0.31 0.00 0.00 39.34 36.73 3mqg n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqg n ALA 125 N 1.23 -1.51 -3.71 -0.72 0.00 -0.71 -3.80 120.51 111.29 3mqg n ALA 125 Ca -0.13 -0.64 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 3mqg n ALA 125 Cb 0.59 -2.07 -0.17 0.00 0.00 0.00 0.00 19.45 17.80 3mqg n ALA 125 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3mqg s PHE 126 N -2.55 0.58 -0.34 0.00 5.36 0.40 -1.01 117.98 120.42 3mqg s PHE 126 Ca 0.64 -0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 56.16 3mqg s PHE 126 Cb -0.22 -0.79 -0.01 0.00 -0.34 0.00 0.00 43.02 41.65 3mqg s PHE 126 CO 0.61 -0.43 0.22 0.08 -1.46 0.00 0.00 175.22 174.24 3mqg s VAL 127 N 2.01 5.07 0.78 3.12 1.01 0.02 -1.35 120.40 131.05 3mqg s VAL 127 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3mqg s VAL 127 Cb -0.14 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.67 3mqg s VAL 127 CO -0.06 -0.01 1.11 0.61 0.00 0.00 0.00 175.10 176.75 3mqg n GLY 128 N 5.07 -0.18 3.60 4.51 0.00 0.20 -0.18 105.19 118.22 3mqg n GLY 128 Ca -0.13 -0.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.99 3mqg n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg n ALA 129 N -2.98 -0.20 -0.88 4.61 0.00 -1.26 -2.11 120.51 117.69 3mqg n ALA 129 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3mqg n ALA 129 Cb 0.50 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3mqg n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqg n GLY 130 N 1.93 0.43 3.75 0.00 0.00 0.20 -4.82 105.19 106.68 3mqg n GLY 130 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3mqg n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 131 N -2.17 2.03 -0.29 4.61 0.00 -0.90 -4.72 121.76 120.33 3mqg s ALA 131 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3mqg s ALA 131 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.92 3mqg s ALA 131 CO 0.00 -1.97 -0.05 0.08 0.00 0.00 0.00 175.76 173.82 3mqg s VAL 132 N -2.89 2.49 -0.31 0.00 1.01 -0.49 -0.94 120.40 119.26 3mqg s VAL 132 Ca 0.62 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 3mqg s VAL 132 Cb -0.18 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 3mqg s VAL 132 CO 0.56 -0.13 0.72 -0.69 0.00 0.00 0.00 175.10 175.57 3mqg s VAL 133 N 1.13 4.85 -0.08 2.92 1.01 0.30 -0.27 120.40 130.25 3mqg s VAL 133 Ca -0.05 1.04 0.12 0.00 0.00 0.00 0.00 61.98 63.08 3mqg s VAL 133 Cb -0.20 -4.09 0.21 0.00 0.00 0.00 0.00 36.38 32.30 3mqg s VAL 133 CO -0.04 -0.21 1.10 -0.46 0.00 0.00 0.00 175.10 175.49 3mqg n ASN 134 N 6.08 1.37 -3.82 3.32 6.94 -1.26 -0.58 115.26 127.31 3mqg n ASN 134 Ca 0.02 -2.70 -0.10 0.00 -0.02 0.00 0.00 54.58 51.78 3mqg n ASN 134 Cb 0.48 -0.35 -0.06 0.00 -2.36 0.00 0.00 39.78 37.50 3mqg n ASN 134 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mqg s LYS 135 N -1.70 1.19 0.64 -3.83 -2.85 -1.26 -5.00 119.74 106.93 3mqg s LYS 135 Ca 0.21 -0.97 -0.18 0.00 -1.00 0.00 0.00 55.97 54.02 3mqg s LYS 135 Cb 0.20 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.39 3mqg s LYS 135 CO -0.00 -0.46 1.30 -0.51 0.10 0.00 0.00 175.35 175.77 3mqg s ASP 136 N -2.90 4.68 -0.19 0.03 1.01 -1.26 -4.76 116.67 113.27 3mqg s ASP 136 Ca 0.11 2.63 -0.01 0.00 0.71 0.00 0.00 52.55 55.99 3mqg s ASP 136 Cb 0.02 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3mqg s ASP 136 CO -0.04 -1.96 -0.15 -0.69 0.21 0.00 0.00 175.17 172.54 3mqg s VAL 137 N -1.39 2.47 0.81 -1.27 1.01 -0.22 -4.98 120.40 116.83 3mqg s VAL 137 Ca 0.82 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3mqg s VAL 137 Cb -0.38 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.01 3mqg s VAL 137 CO 0.40 0.50 1.16 -2.84 0.00 0.00 0.00 175.10 174.32 3mqg s PRO 138 N 1.35 1.76 0.17 2.72 0.02 -1.26 -0.48 135.00 139.28 3mqg s PRO 138 Ca 0.05 1.55 -0.33 0.00 0.02 0.00 0.00 61.00 62.29 3mqg s PRO 138 Cb -0.13 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.42 3mqg s PRO 138 CO -0.10 -2.08 1.31 -0.25 -0.33 0.00 0.00 177.00 175.55 3mqg n ASP 139 N -3.44 1.96 0.00 2.53 8.00 -1.26 -1.52 116.55 122.82 3mqg n ASP 139 Ca 0.12 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.75 3mqg n ASP 139 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 3mqg n ASP 139 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mqg n PHE 140 N 2.04 0.00 -2.43 1.24 3.01 0.12 -4.55 117.46 116.89 3mqg n PHE 140 Ca 0.15 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.20 3mqg n PHE 140 Cb 0.26 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 39.28 3mqg n PHE 140 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mqg s ALA 141 N -3.13 3.42 -0.33 4.37 0.00 -0.58 -0.13 121.76 125.38 3mqg s ALA 141 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 3mqg s ALA 141 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3mqg s ALA 141 CO 0.00 -0.25 0.26 -1.17 0.00 0.00 0.00 175.76 174.60 3mqg s LEU 142 N -1.04 4.40 -0.01 0.00 2.96 -0.22 -0.45 118.68 124.31 3mqg s LEU 142 Ca 0.47 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 3mqg s LEU 142 Cb -0.32 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3mqg s LEU 142 CO 0.40 -0.22 -0.22 0.68 -1.32 0.00 0.00 176.35 175.67 3mqg s VAL 143 N 1.81 1.74 0.04 1.68 -7.23 -0.46 -0.87 120.40 117.11 3mqg s VAL 143 Ca 0.08 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 3mqg s VAL 143 Cb -0.17 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 3mqg s VAL 143 CO 0.11 0.46 0.00 0.68 -0.31 0.00 0.00 175.10 176.04 3mqg s VAL 144 N -0.54 0.17 0.00 1.32 -7.23 -0.43 -0.62 120.40 113.06 3mqg s VAL 144 Ca 0.08 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3mqg s VAL 144 Cb -0.09 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.78 3mqg s VAL 144 CO -0.01 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3mqg n GLY 145 N 0.60 1.89 3.03 2.32 0.00 -1.26 -1.03 105.19 110.74 3mqg n GLY 145 Ca -0.18 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 3mqg n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqg s VAL 146 N -2.04 2.33 0.79 1.61 1.01 -1.26 -1.40 120.40 121.44 3mqg s VAL 146 Ca 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 61.98 59.59 3mqg s VAL 146 Cb 0.00 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.76 3mqg s VAL 146 CO 0.00 -0.56 1.16 -2.16 0.00 0.00 0.00 175.10 173.54 3mqg s PRO 147 N 0.93 2.15 0.25 2.72 0.04 -1.26 -5.00 135.00 134.82 3mqg s PRO 147 Ca 0.09 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.01 3mqg s PRO 147 Cb -0.19 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3mqg s PRO 147 CO -0.08 -1.47 1.11 0.00 0.04 0.00 0.00 177.00 176.60 3mqg s ALA 148 N -3.53 3.40 0.07 8.56 0.00 0.62 -4.84 121.76 126.06 3mqg s ALA 148 Ca 0.61 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.51 3mqg s ALA 148 Cb -0.11 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3mqg s ALA 148 CO 0.49 -0.18 -0.16 1.03 0.00 0.00 0.00 175.76 176.94 3mqg s ARG 149 N -1.09 0.94 0.02 0.00 1.81 -0.20 -4.87 118.95 115.56 3mqg s ARG 149 Ca 0.46 -0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 53.20 3mqg s ARG 149 Cb -0.31 -1.02 -0.04 0.00 -0.45 0.00 0.00 34.95 33.13 3mqg s ARG 149 CO 0.39 0.23 0.92 -1.14 -0.68 0.00 0.00 175.30 175.02 3mqg s GLN 150 N -1.69 4.57 0.00 3.54 0.74 -1.26 -1.32 119.66 124.24 3mqg s GLN 150 Ca 0.01 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.74 3mqg s GLN 150 Cb -0.10 -3.43 -0.00 0.00 1.10 0.00 0.00 33.01 30.58 3mqg s GLN 150 CO 0.03 0.06 0.03 0.44 -0.55 0.00 0.00 175.29 175.30 3mqg n ILE 151 N 3.50 0.00 -3.25 -2.34 -5.35 -0.05 -4.99 119.36 106.89 3mqg n ILE 151 Ca 0.03 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3mqg n ILE 151 Cb 0.51 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3mqg n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mqg n GLY 152 N 0.94 0.94 3.03 3.28 0.00 -1.18 -5.01 105.19 107.19 3mqg n GLY 152 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 3mqg n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mqg s TRP 153 N -2.69 0.98 -0.11 1.61 0.52 -1.26 -1.06 118.94 116.92 3mqg s TRP 153 Ca 0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 56.10 55.89 3mqg s TRP 153 Cb 0.00 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.63 3mqg s TRP 153 CO 0.00 -0.06 -0.07 -1.64 0.02 0.00 0.00 176.95 175.20 3mqg s MET 154 N -0.01 3.25 1.01 4.98 -1.94 0.82 -0.80 119.30 126.60 3mqg s MET 154 Ca 0.00 -0.56 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 3mqg s MET 154 Cb -0.07 -2.73 0.19 0.00 2.01 0.00 0.00 34.83 34.23 3mqg s MET 154 CO 0.00 0.41 1.08 -1.54 -0.01 0.00 0.00 175.02 174.96 3mqg s SER 155 N -0.13 2.42 0.25 3.03 1.04 -0.33 -4.70 113.70 115.29 3mqg s SER 155 Ca 0.01 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 3mqg s SER 155 Cb -0.13 -2.17 0.46 0.00 0.10 0.00 0.00 66.02 64.28 3mqg s SER 155 CO 0.03 -3.30 1.79 0.03 0.98 0.00 0.00 173.24 172.77 3mqg h ARG 156 N -2.01 0.72 -0.23 4.02 3.08 -1.90 -0.81 114.38 117.25 3mqg h ARG 156 Ca -0.54 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.50 3mqg h ARG 156 Cb 1.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3mqg h ARG 156 CO 0.53 0.48 0.16 1.25 -1.07 0.00 0.00 179.97 181.31 3mqg h HIS 157 N 0.74 0.16 0.00 3.04 2.76 -1.99 -3.46 115.15 116.39 3mqg h HIS 157 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3mqg h HIS 157 Cb 0.48 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3mqg h HIS 157 CO -0.07 0.09 0.00 0.41 -1.30 0.00 0.00 177.93 177.06 3mqg n GLY 158 N -1.54 1.15 3.13 5.26 0.00 -0.31 -5.13 105.19 107.75 3mqg n GLY 158 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3mqg n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqg s GLU 159 N -0.14 0.70 0.47 1.61 2.12 -1.26 -4.90 118.70 117.30 3mqg s GLU 159 Ca 0.00 -0.91 -0.23 0.00 0.36 0.00 0.00 54.97 54.19 3mqg s GLU 159 Cb 0.00 -0.56 -0.07 0.00 0.26 0.00 0.00 34.13 33.76 3mqg s GLU 159 CO 0.00 0.11 1.25 -0.65 -0.54 0.00 0.00 175.26 175.43 3mqg s GLN 160 N -1.85 3.67 0.13 4.30 -0.21 -1.26 -1.18 119.66 123.25 3mqg s GLN 160 Ca -0.04 1.98 -0.06 0.00 0.02 0.00 0.00 55.36 57.26 3mqg s GLN 160 Cb -0.09 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 3mqg s GLN 160 CO 0.01 -0.69 0.39 -0.51 -2.12 0.00 0.00 175.29 172.38 3mqg s LEU 161 N -2.98 4.28 -1.34 2.90 1.43 0.02 -4.82 118.68 118.17 3mqg s LEU 161 Ca 0.64 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 3mqg s LEU 161 Cb -0.34 -3.26 0.08 0.00 0.03 0.00 0.00 46.19 42.70 3mqg s LEU 161 CO 0.42 0.07 1.87 -0.67 0.23 0.00 0.00 176.35 178.26 3mqg n ASP 162 N 0.26 4.66 -4.01 2.29 -0.08 -1.26 -4.63 116.55 113.78 3mqg n ASP 162 Ca -0.03 -2.92 -0.19 0.00 -1.51 0.00 0.00 54.79 50.14 3mqg n ASP 162 Cb 0.52 -1.67 -0.15 0.00 2.34 0.00 0.00 41.12 42.16 3mqg n ASP 162 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3mqg s LEU 163 N 2.78 1.98 0.96 -2.67 1.43 -1.26 -4.67 118.68 117.22 3mqg s LEU 163 Ca 0.49 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 3mqg s LEU 163 Cb 0.07 -0.47 0.16 0.00 0.03 0.00 0.00 46.19 45.98 3mqg s LEU 163 CO 0.01 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 3mqg s PRO 164 N -0.14 0.77 0.20 1.29 0.04 -1.26 -4.77 135.00 131.13 3mqg s PRO 164 Ca 0.02 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 3mqg s PRO 164 Cb -0.04 -1.77 0.14 0.00 0.04 0.00 0.00 34.50 32.87 3mqg s PRO 164 CO -0.00 -2.53 1.58 -0.07 0.04 0.00 0.00 177.00 176.02 3mqg h LEU 165 N -1.75 0.77 -9.03 -3.56 3.38 -1.96 -3.46 115.31 99.70 3mqg h LEU 165 Ca -0.52 -0.32 -0.45 0.00 0.09 0.00 0.00 57.88 56.68 3mqg h LEU 165 Cb 1.31 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 3mqg h LEU 165 CO 0.56 1.03 -0.67 -0.13 0.09 0.00 0.00 178.44 179.32 3mqg s ARG 166 N -4.43 1.45 1.14 1.13 3.00 -1.26 -4.57 118.95 115.41 3mqg s ARG 166 Ca -0.09 -1.73 0.00 0.00 0.00 0.00 0.00 55.73 53.91 3mqg s ARG 166 Cb 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 34.95 34.11 3mqg s ARG 166 CO 0.84 0.01 0.00 0.41 0.00 0.00 0.00 175.30 176.56 3mqg n GLY 167 N -0.51 -1.05 3.42 -3.53 0.00 -1.26 -4.70 105.19 97.56 3mqg n GLY 167 Ca -0.06 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 3mqg n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqg s ASN 168 N -4.00 3.68 0.09 1.61 0.01 -1.26 -1.15 114.94 113.91 3mqg s ASN 168 Ca 0.00 -0.33 -0.27 0.00 -0.71 0.00 0.00 52.86 51.56 3mqg s ASN 168 Cb 0.00 -0.64 0.09 0.00 0.41 0.00 0.00 41.25 41.11 3mqg s ASN 168 CO 0.00 0.32 1.12 0.00 -1.51 0.00 0.00 177.10 177.03 3mqg s ALA 169 N -0.73 -1.91 0.02 0.60 0.00 -0.67 -4.98 121.76 114.08 3mqg s ALA 169 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3mqg s ALA 169 Cb -0.10 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3mqg s ALA 169 CO 0.01 -1.06 -0.03 -1.21 0.00 0.00 0.00 175.76 173.47 3mqg s GLU 170 N -2.70 0.34 0.14 0.00 2.02 -1.26 -0.58 118.70 116.66 3mqg s GLU 170 Ca 0.16 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.41 3mqg s GLU 170 Cb 0.01 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.33 3mqg s GLU 170 CO 0.00 -0.05 0.25 0.00 0.02 0.00 0.00 175.26 175.49 3mqg s ALA 171 N -1.59 -0.05 -0.03 5.21 0.00 -0.64 -4.87 121.76 119.79 3mqg s ALA 171 Ca -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.04 3mqg s ALA 171 Cb -0.09 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 3mqg s ALA 171 CO -0.01 -0.61 -0.13 0.99 0.00 0.00 0.00 175.76 176.00 3mqg s THR 172 N -3.94 1.07 0.01 0.00 2.01 -1.26 -0.47 115.64 113.05 3mqg s THR 172 Ca 0.14 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 3mqg s THR 172 Cb 0.04 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 3mqg s THR 172 CO -0.03 0.31 1.39 0.00 -0.69 0.00 0.00 174.62 175.61 3mqg n PRO 174 N 5.28 0.21 0.04 0.00 -0.04 -1.26 -0.12 135.00 139.10 3mqg n PRO 174 Ca 0.13 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.80 3mqg n PRO 174 Cb 0.44 -1.81 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 3mqg n PRO 174 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mqg h HIS 175 N 0.00 0.08 0.00 0.54 3.86 -1.98 -3.38 115.15 114.27 3mqg h HIS 175 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3mqg h HIS 175 Cb 0.53 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3mqg h HIS 175 CO 0.00 1.06 -0.98 0.25 0.86 0.00 0.00 177.93 179.12 3mqg n THR 176 N -3.28 0.00 -0.98 2.45 -2.24 -1.21 -5.01 114.28 104.01 3mqg n THR 176 Ca -0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3mqg n THR 176 Cb 0.99 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3mqg n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqg n GLY 177 N 2.45 0.35 3.76 3.38 0.00 0.82 -5.00 105.19 110.95 3mqg n GLY 177 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3mqg n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqg s GLU 178 N -0.71 4.20 -0.07 1.61 2.02 -1.24 -4.66 118.70 119.85 3mqg s GLU 178 Ca 0.00 2.44 -0.10 0.00 0.02 0.00 0.00 54.97 57.33 3mqg s GLU 178 Cb 0.00 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 3mqg s GLU 178 CO 0.00 -0.48 0.26 1.03 0.02 0.00 0.00 175.26 176.09 3mqg s ARG 179 N -1.11 3.65 0.04 1.61 0.52 -1.26 -0.52 118.95 121.88 3mqg s ARG 179 Ca 0.57 0.11 0.09 0.00 -0.52 0.00 0.00 55.73 55.98 3mqg s ARG 179 Cb -0.45 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 3mqg s ARG 179 CO 0.52 0.74 -0.26 0.71 0.02 0.00 0.00 175.30 177.03 3mqg s TYR 180 N -1.05 2.35 -0.09 -0.53 1.51 0.38 -0.48 117.35 119.44 3mqg s TYR 180 Ca 0.19 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 3mqg s TYR 180 Cb -0.14 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 3mqg s TYR 180 CO 0.08 0.13 -0.17 0.42 -1.11 0.00 0.00 175.55 174.90 3mqg s ILE 181 N -0.81 1.55 -0.19 2.71 1.01 -0.03 -1.62 121.20 123.82 3mqg s ILE 181 Ca 0.12 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3mqg s ILE 181 Cb -0.10 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3mqg s ILE 181 CO 0.02 0.45 0.04 -0.22 0.00 0.00 0.00 174.94 175.23 3mqg s LEU 182 N 0.60 3.59 -0.18 2.97 2.96 0.26 -1.29 118.68 127.59 3mqg s LEU 182 Ca -0.15 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3mqg s LEU 182 Cb -0.16 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.66 3mqg s LEU 182 CO 0.05 0.12 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.28 3mqg s THR 183 N 0.70 0.98 -1.47 3.68 2.01 0.15 -1.68 115.64 120.02 3mqg s THR 183 Ca 0.02 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3mqg s THR 183 Cb -0.14 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3mqg s THR 183 CO 0.02 -0.02 0.22 0.47 -0.69 0.00 0.00 174.62 174.62 3mqg n ASP 184 N 4.90 0.29 -0.04 3.53 10.43 -0.52 -1.51 116.55 133.62 3mqg n ASP 184 Ca -0.11 -1.13 -0.01 0.00 2.57 0.00 0.00 54.79 56.11 3mqg n ASP 184 Cb 0.47 -2.38 -0.00 0.00 1.84 0.00 0.00 41.12 41.05 3mqg n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mqg n GLY 185 N -2.26 0.44 3.20 0.44 0.00 -0.30 -4.66 105.19 102.04 3mqg n GLY 185 Ca -0.32 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3mqg n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqg s VAL 186 N -1.84 2.22 -0.12 1.61 1.01 -0.57 -4.90 120.40 117.81 3mqg s VAL 186 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3mqg s VAL 186 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3mqg s VAL 186 CO 0.00 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.85 3mqg s ARG 188 N -0.63 0.61 0.24 0.00 1.70 -0.41 -4.79 118.95 115.66 3mqg s ARG 188 Ca 0.16 -1.02 -0.30 0.00 -0.47 0.00 0.00 55.73 54.10 3mqg s ARG 188 Cb -0.13 -0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.08 3mqg s ARG 188 CO 0.05 -0.03 1.29 -1.17 -1.08 0.00 0.00 175.30 174.36 3mqg s LEU 189 N -2.33 4.43 0.00 -1.89 2.96 -1.26 -0.85 118.68 119.74 3mqg s LEU 189 Ca -0.00 2.45 0.14 0.00 -0.22 0.00 0.00 54.13 56.50 3mqg s LEU 189 Cb -0.01 -3.62 0.85 0.00 0.50 0.00 0.00 46.19 43.91 3mqg s LEU 189 CO -0.04 -0.49 1.27 0.00 -1.32 0.00 0.00 176.35 175.77