#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqg n ALA 2 N 0.00 0.12 -2.66 3.17 0.00 -1.26 -4.33 120.51 115.54 3mqg n ALA 2 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 3mqg n ALA 2 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 3mqg n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mqg s THR 3 N -1.11 5.14 -0.17 0.00 -4.23 -0.05 -4.95 115.64 110.26 3mqg s THR 3 Ca 0.59 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 3mqg s THR 3 Cb -0.65 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.40 3mqg s THR 3 CO 0.60 0.20 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.09 3mqg s ILE 4 N 1.54 2.48 0.44 2.99 1.01 -1.26 -1.08 121.20 127.33 3mqg s ILE 4 Ca 0.22 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 3mqg s ILE 4 Cb -0.15 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 3mqg s ILE 4 CO 0.09 0.51 1.41 -2.28 0.00 0.00 0.00 174.94 174.67 3mqg s HIS 5 N 1.07 2.52 0.64 3.97 5.65 -0.06 -4.84 115.29 124.24 3mqg s HIS 5 Ca -0.01 1.29 0.37 0.00 0.25 0.00 0.00 55.06 56.96 3mqg s HIS 5 Cb -0.14 -3.88 2.05 0.00 -1.18 0.00 0.00 32.58 29.43 3mqg s HIS 5 CO -0.05 -2.79 2.23 -1.35 -0.65 0.00 0.00 174.74 172.13 3mqg h PRO 6 N 2.39 0.00 -0.00 2.88 0.11 -1.93 -1.16 132.00 134.29 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mqg h PRO 6 CO 0.61 0.00 -0.30 0.25 -0.21 0.00 0.00 178.00 178.36 3mqg n THR 7 N -3.33 0.00 -2.30 -1.15 -2.24 -1.26 -4.87 114.28 99.13 3mqg n THR 7 Ca -0.02 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 3mqg n THR 7 Cb 0.17 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.86 2.93 -0.26 6.98 0.00 -0.44 -3.85 121.76 124.26 3mqg s ALA 8 Ca 0.16 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3mqg s ALA 8 Cb 0.18 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.19 3mqg s ALA 8 CO 0.61 -0.43 -0.07 0.42 0.00 0.00 0.00 175.76 176.28 3mqg s ILE 9 N -2.48 1.89 -0.33 0.00 1.01 0.36 -4.92 121.20 116.73 3mqg s ILE 9 Ca 0.61 -1.51 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 3mqg s ILE 9 Cb -0.13 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.27 3mqg s ILE 9 CO 0.31 -0.11 0.12 -0.69 0.00 0.00 0.00 174.94 174.57 3mqg s VAL 10 N 1.22 4.00 0.53 2.92 1.01 -1.26 -1.48 120.40 127.33 3mqg s VAL 10 Ca -0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 3mqg s VAL 10 Cb -0.19 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3mqg s VAL 10 CO -0.06 -0.10 1.06 -1.81 0.00 0.00 0.00 175.10 174.20 3mqg s ASP 11 N 1.47 6.05 0.28 3.32 1.01 -0.13 -4.94 116.67 123.73 3mqg s ASP 11 Ca 0.01 1.96 -0.30 0.00 0.71 0.00 0.00 52.55 54.93 3mqg s ASP 11 Cb -0.19 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 3mqg s ASP 11 CO 0.03 -0.98 1.54 1.21 0.21 0.00 0.00 175.17 177.18 3mqg n GLU 12 N -1.30 2.51 0.00 8.23 2.13 -1.26 -1.98 120.64 128.97 3mqg n GLU 12 Ca 0.10 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.81 3mqg n GLU 12 Cb 0.52 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.59 3mqg n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mqg n GLY 13 N 2.10 2.30 3.77 8.31 0.00 -1.26 -4.40 105.19 116.01 3mqg n GLY 13 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.34 3.06 -0.19 4.61 0.00 -0.78 -4.71 121.76 121.41 3mqg s ALA 14 Ca 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3mqg s ALA 14 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3mqg s ALA 14 CO 0.00 -0.71 -0.09 1.03 0.00 0.00 0.00 175.76 176.00 3mqg s ARG 15 N -2.52 3.33 -0.11 0.00 0.52 -0.55 -5.01 118.95 114.62 3mqg s ARG 15 Ca 0.61 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3mqg s ARG 15 Cb -0.32 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.32 3mqg s ARG 15 CO 0.39 -0.09 -0.10 0.42 0.02 0.00 0.00 175.30 175.95 3mqg s ILE 16 N 1.14 1.13 0.87 1.52 1.01 -1.26 -0.47 121.20 125.15 3mqg s ILE 16 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3mqg s ILE 16 Cb -0.14 -1.10 0.11 0.00 0.01 0.00 0.00 42.46 41.34 3mqg s ILE 16 CO -0.02 0.38 1.10 -0.83 0.00 0.00 0.00 174.94 175.56 3mqg s GLY 17 N 1.41 1.61 0.48 6.18 0.00 0.17 -4.59 107.32 112.58 3mqg s GLY 17 Ca -0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 3mqg s GLY 17 CO -0.05 0.32 0.99 0.00 0.00 0.00 0.00 173.10 174.36 3mqg n ALA 18 N -3.75 0.19 -0.95 3.20 0.00 -1.26 -2.77 120.51 115.17 3mqg n ALA 18 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3mqg n ALA 18 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3mqg n ALA 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mqg n HIS 19 N -0.91 0.00 -2.18 0.00 8.25 -1.26 -1.10 115.22 118.02 3mqg n HIS 19 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 3mqg n HIS 19 Cb 0.42 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.38 6.41 -0.08 0.41 0.01 -1.11 -3.96 113.70 113.00 3mqg s SER 20 Ca 0.00 1.53 0.01 0.00 1.31 0.00 0.00 55.95 58.80 3mqg s SER 20 Cb 0.00 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3mqg s SER 20 CO 0.00 -0.74 -0.09 -0.13 0.41 0.00 0.00 173.24 172.69 3mqg s ARG 21 N -4.47 1.43 -0.21 12.44 0.52 -0.06 -0.87 118.95 127.72 3mqg s ARG 21 Ca 0.58 -0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 3mqg s ARG 21 Cb -0.11 -1.33 0.01 0.00 0.52 0.00 0.00 34.95 34.05 3mqg s ARG 21 CO 0.40 -0.10 -0.12 0.42 0.02 0.00 0.00 175.30 175.92 3mqg s ILE 22 N 1.08 2.63 0.00 1.52 -1.09 -0.24 -1.01 121.20 124.09 3mqg s ILE 22 Ca -0.07 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3mqg s ILE 22 Cb -0.14 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 3mqg s ILE 22 CO -0.01 0.40 0.00 0.79 -1.23 0.00 0.00 174.94 174.90 3mqg n TRP 23 N 4.67 -1.55 -1.97 3.97 7.02 -0.26 -0.89 117.44 128.44 3mqg n TRP 23 Ca -0.19 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.88 3mqg n TRP 23 Cb 0.49 0.00 -0.02 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 0.83 2.97 -1.47 -5.99 3.76 -1.26 -3.50 115.29 110.63 3mqg s HIS 24 Ca 0.00 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.81 3mqg s HIS 24 Cb 0.00 -3.86 0.06 0.00 1.11 0.00 0.00 32.58 29.89 3mqg s HIS 24 CO 0.00 -2.79 0.94 0.91 -0.85 0.00 0.00 174.74 172.95 3mqg n TRP 25 N 2.21 -2.26 -3.41 1.40 8.01 -1.25 -1.79 117.44 120.35 3mqg n TRP 25 Ca 0.07 0.90 -0.38 0.00 -1.31 0.00 0.00 57.50 56.78 3mqg n TRP 25 Cb 0.40 -4.14 -0.06 0.00 -2.01 0.00 0.00 31.31 25.50 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 -3.38 4.91 -0.16 -0.99 1.01 -1.23 -3.30 120.40 117.26 3mqg s VAL 26 Ca 0.52 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.49 3mqg s VAL 26 Cb -0.26 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3mqg s VAL 26 CO 0.82 0.55 -0.19 -2.28 0.00 0.00 0.00 175.10 174.00 3mqg s HIS 27 N -1.11 2.75 -0.16 5.22 2.46 -0.74 -0.48 115.29 123.22 3mqg s HIS 27 Ca 0.26 -1.44 0.00 0.00 0.47 0.00 0.00 55.06 54.36 3mqg s HIS 27 Cb -0.18 -1.89 -0.00 0.00 -0.13 0.00 0.00 32.58 30.38 3mqg s HIS 27 CO 0.16 -0.69 -0.15 0.42 -2.47 0.00 0.00 174.74 172.01 3mqg s ILE 28 N 1.08 2.66 0.70 0.89 1.01 -0.55 -1.20 121.20 125.79 3mqg s ILE 28 Ca -0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 3mqg s ILE 28 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 3mqg s ILE 28 CO -0.07 0.51 1.06 0.00 0.00 0.00 0.00 174.94 176.44 3mqg h GLY 30 N -0.71 0.00 1.30 0.00 0.00 -1.77 -2.40 103.07 99.50 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 0.58 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 177.45 3mqg n GLY 31 N -0.16 -1.28 3.76 4.60 0.00 -1.26 -1.87 105.19 108.97 3mqg n GLY 31 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.93 2.95 -0.11 4.61 0.00 -0.90 -4.65 121.76 120.72 3mqg s ALA 32 Ca 0.14 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.44 3mqg s ALA 32 Cb 0.18 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3mqg s ALA 32 CO 0.61 -1.24 -0.14 -2.00 0.00 0.00 0.00 175.76 172.99 3mqg s GLU 33 N -2.75 2.07 -0.05 0.00 2.12 -0.83 -1.47 118.70 117.79 3mqg s GLU 33 Ca 0.68 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.54 3mqg s GLU 33 Cb -0.40 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.17 3mqg s GLU 33 CO 0.49 -0.11 -0.14 0.42 -0.54 0.00 0.00 175.26 175.38 3mqg s ILE 34 N 1.13 1.22 0.00 -3.70 1.01 0.38 -0.85 121.20 120.38 3mqg s ILE 34 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3mqg s ILE 34 Cb -0.14 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.26 3mqg s ILE 34 CO -0.03 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3mqg n GLY 35 N 3.35 -0.07 3.80 6.18 0.00 -0.19 -0.66 105.19 117.61 3mqg n GLY 35 Ca -0.19 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 0.47 4.34 -0.53 1.61 2.02 -1.26 -2.17 118.70 123.17 3mqg s GLU 36 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.95 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 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3mqg n GLY 37 N 0.91 0.76 3.87 -1.39 0.00 -0.26 -0.57 105.19 108.50 3mqg n GLY 37 Ca -0.03 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.22 1.40 -0.22 0.00 0.15 -0.66 -0.88 113.70 109.25 3mqg s SER 39 Ca 0.57 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 57.06 3mqg s SER 39 Cb -0.11 -0.58 0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3mqg s SER 39 CO 0.53 -0.07 -0.15 -0.76 1.20 0.00 0.00 173.24 173.99 3mqg s LEU 40 N 1.16 2.87 0.00 3.45 1.02 -0.18 -0.21 118.68 126.79 3mqg s LEU 40 Ca -0.07 -1.06 -0.05 0.00 0.02 0.00 0.00 54.13 52.97 3mqg s LEU 40 Cb -0.14 -1.52 0.07 0.00 0.02 0.00 0.00 46.19 44.62 3mqg s LEU 40 CO -0.01 -0.11 0.42 0.61 0.02 0.00 0.00 176.35 177.28 3mqg n GLY 41 N 4.52 -1.13 3.67 -3.19 0.00 0.19 -1.10 105.19 108.15 3mqg n GLY 41 Ca -0.17 -1.70 -0.46 0.00 0.00 0.00 0.00 46.02 43.69 3mqg n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mqg n GLN 42 N -1.89 2.13 -1.34 1.61 7.27 -1.26 -2.09 117.38 121.81 3mqg n GLN 42 Ca 0.05 0.77 -0.12 0.00 0.07 0.00 0.00 57.00 57.77 3mqg n GLN 42 Cb 0.19 -2.52 -0.05 0.00 2.41 0.00 0.00 30.24 30.26 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 3.27 -4.46 -4.74 1.69 5.15 -0.74 -1.15 115.26 114.28 3mqg n ASN 43 Ca 0.16 0.29 -0.36 0.00 -0.60 0.00 0.00 54.58 54.07 3mqg n ASN 43 Cb 0.29 -2.98 0.06 0.00 -0.53 0.00 0.00 39.78 36.62 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 -2.42 2.32 -0.01 3.44 1.01 -0.89 -4.30 120.40 119.56 3mqg s VAL 44 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3mqg s VAL 44 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3mqg s VAL 44 CO 0.00 -0.05 -0.18 0.12 0.00 0.00 0.00 175.10 174.99 3mqg s PHE 45 N -1.62 1.59 -0.06 5.22 5.36 -0.84 -1.79 117.98 125.83 3mqg s PHE 45 Ca 0.79 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 3mqg s PHE 45 Cb -0.33 -1.02 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 3mqg s PHE 45 CO 0.39 -0.03 -0.06 0.08 -1.46 0.00 0.00 175.22 174.14 3mqg s VAL 46 N -0.40 0.72 0.61 3.12 1.01 -0.34 -0.22 120.40 124.89 3mqg s VAL 46 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3mqg s VAL 46 Cb -0.07 -0.74 0.14 0.00 0.00 0.00 0.00 36.38 35.71 3mqg s VAL 46 CO -0.01 0.28 0.83 0.61 0.00 0.00 0.00 175.10 176.81 3mqg n GLY 47 N 4.33 -1.32 0.07 4.51 0.00 -0.08 -0.88 105.19 111.82 3mqg n GLY 47 Ca -0.19 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.08 0.02 -1.14 1.61 2.35 -1.89 -3.33 115.58 112.13 3mqg h ASN 48 Ca -0.27 -0.72 -0.75 0.00 -0.55 0.00 0.00 56.30 54.02 3mqg h ASN 48 Cb 0.74 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.97 3mqg h ASN 48 CO 0.19 0.74 2.30 -1.14 -1.65 0.00 0.00 177.43 177.86 3mqg n ARG 49 N -4.72 3.75 -3.88 0.81 0.63 -1.26 -2.76 116.66 109.22 3mqg n ARG 49 Ca -0.09 -3.37 -0.15 0.00 -0.92 0.00 0.00 57.85 53.32 3mqg n ARG 49 Cb 0.36 -2.89 -0.16 0.00 0.45 0.00 0.00 32.46 30.23 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 0.41 0.07 -0.10 5.15 1.01 -1.26 -0.55 120.40 125.13 3mqg s VAL 50 Ca 0.44 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.54 3mqg s VAL 50 Cb 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.36 3mqg s VAL 50 CO -0.03 0.09 -0.16 -0.13 0.00 0.00 0.00 175.10 174.87 3mqg s ARG 51 N 0.75 2.26 -0.10 2.72 0.52 -1.22 -1.96 118.95 121.92 3mqg s ARG 51 Ca -0.07 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 3mqg s ARG 51 Cb -0.10 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.52 3mqg s ARG 51 CO -0.02 0.00 -0.19 0.42 0.02 0.00 0.00 175.30 175.54 3mqg s ILE 52 N 0.79 1.73 0.00 1.52 1.01 -0.03 -0.90 121.20 125.32 3mqg s ILE 52 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3mqg s ILE 52 Cb -0.16 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3mqg s ILE 52 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3mqg n GLY 53 N 3.88 -1.39 3.83 6.18 0.00 0.77 -1.03 105.19 117.43 3mqg n GLY 53 Ca -0.20 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.39 6.95 -1.36 1.61 0.01 -1.26 -2.08 114.94 117.42 3mqg s ASN 54 Ca 0.00 1.18 -0.06 0.00 -0.71 0.00 0.00 52.86 53.27 3mqg s ASN 54 Cb 0.00 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.34 3mqg s ASN 54 CO 0.00 0.19 0.76 0.54 -1.51 0.00 0.00 177.10 177.08 3mqg n ARG 55 N 1.28 -5.58 -3.04 -0.60 1.74 0.26 -0.83 116.66 109.90 3mqg n ARG 55 Ca -0.08 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.41 3mqg n ARG 55 Cb 0.51 -5.56 -0.05 0.00 -1.02 0.00 0.00 32.46 26.34 3mqg n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqg s VAL 56 N -3.19 5.03 -0.28 1.55 1.01 -1.26 -3.58 120.40 119.67 3mqg s VAL 56 Ca 0.38 1.47 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 3mqg s VAL 56 Cb -0.17 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3mqg s VAL 56 CO 0.47 0.26 0.10 -0.54 0.00 0.00 0.00 175.10 175.38 3mqg s LYS 57 N 0.75 3.35 -0.27 2.72 1.02 -0.62 -1.66 119.74 125.03 3mqg s LYS 57 Ca 0.38 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.68 3mqg s LYS 57 Cb -0.18 -3.41 0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3mqg s LYS 57 CO 0.19 -0.35 -0.06 0.42 -0.92 0.00 0.00 175.35 174.63 3mqg s ILE 58 N 1.57 2.60 0.97 2.17 1.01 0.71 -0.51 121.20 129.72 3mqg s ILE 58 Ca 0.04 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 3mqg s ILE 58 Cb -0.16 -2.48 0.23 0.00 0.01 0.00 0.00 42.46 40.06 3mqg s ILE 58 CO 0.04 -0.02 1.15 0.00 0.00 0.00 0.00 174.94 176.10 3mqg n GLN 59 N 4.54 -1.79 -1.74 2.79 1.13 -0.20 -0.63 117.38 121.48 3mqg n GLN 59 Ca -0.14 -1.79 -0.40 0.00 -1.94 0.00 0.00 57.00 52.74 3mqg n GLN 59 Cb 0.43 -1.34 0.03 0.00 0.11 0.00 0.00 30.24 29.47 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 -4.10 2.93 -0.70 1.08 4.13 -1.26 -3.46 115.26 113.89 3mqg n ASN 60 Ca 0.15 1.06 -0.08 0.00 1.68 0.00 0.00 54.58 57.39 3mqg n ASN 60 Cb 0.53 -1.58 -0.02 0.00 -1.54 0.00 0.00 39.78 37.17 3mqg n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3mqg n ASN 61 N -0.44 -3.56 -4.69 6.41 3.02 -0.30 -0.69 115.26 115.00 3mqg n ASN 61 Ca 0.07 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 3mqg n ASN 61 Cb 0.42 -2.14 -0.08 0.00 -0.61 0.00 0.00 39.78 37.37 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 -2.32 5.31 -0.35 2.41 1.01 -1.22 -4.32 120.40 120.91 3mqg s VAL 62 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3mqg s VAL 62 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3mqg s VAL 62 CO 0.00 0.35 0.17 -0.44 0.00 0.00 0.00 175.10 175.18 3mqg s SER 63 N 0.80 5.58 -0.84 3.32 0.01 -1.26 -1.98 113.70 119.32 3mqg s SER 63 Ca 0.13 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.29 3mqg s SER 63 Cb -0.13 -1.98 0.17 0.00 0.21 0.00 0.00 66.02 64.29 3mqg s SER 63 CO 0.04 -0.33 0.91 -0.69 0.41 0.00 0.00 173.24 173.58 3mqg s VAL 64 N 1.53 5.15 0.86 3.43 1.01 0.69 -4.11 120.40 128.96 3mqg s VAL 64 Ca 0.02 -1.93 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 3mqg s VAL 64 Cb -0.19 -4.60 0.11 0.00 0.00 0.00 0.00 36.38 31.70 3mqg s VAL 64 CO 0.06 -1.24 1.13 -0.31 0.00 0.00 0.00 175.10 174.73 3mqg s TYR 65 N 1.51 2.67 0.20 5.22 2.02 -1.26 -0.90 117.35 126.81 3mqg s TYR 65 Ca 0.23 0.94 -0.30 0.00 -0.37 0.00 0.00 57.07 57.58 3mqg s TYR 65 Cb -0.09 -3.30 -0.16 0.00 -0.40 0.00 0.00 41.96 38.00 3mqg s TYR 65 CO -0.07 -2.10 0.81 -0.25 -1.57 0.00 0.00 175.55 172.36 3mqg n ASP 66 N -3.60 -0.04 -0.05 2.29 8.00 -1.26 -2.35 116.55 119.53 3mqg n ASP 66 Ca 0.07 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.71 3mqg n ASP 66 Cb 0.58 -1.08 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 1.75 -3.17 -4.71 -2.24 4.13 0.28 -4.71 115.26 106.59 3mqg n ASN 67 Ca 0.15 0.02 -0.36 0.00 1.68 0.00 0.00 54.58 56.07 3mqg n ASN 67 Cb 0.25 -0.73 -0.08 0.00 -1.54 0.00 0.00 39.78 37.68 3mqg n ASN 67 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mqg s VAL 68 N -1.99 5.34 -0.16 2.41 1.01 -0.99 -1.18 120.40 124.84 3mqg s VAL 68 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3mqg s VAL 68 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3mqg s VAL 68 CO 0.00 0.38 -0.16 -0.36 0.00 0.00 0.00 175.10 174.96 3mqg s PHE 69 N 0.65 2.38 -0.24 5.22 0.08 0.07 -3.40 117.98 122.74 3mqg s PHE 69 Ca 0.12 -1.38 -0.03 0.00 0.12 0.00 0.00 56.93 55.76 3mqg s PHE 69 Cb -0.13 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3mqg s PHE 69 CO 0.02 -0.72 -0.04 -0.51 -0.10 0.00 0.00 175.22 173.87 3mqg s LEU 70 N 1.42 3.08 0.00 -0.37 1.43 -0.08 -0.62 118.68 123.54 3mqg s LEU 70 Ca 0.05 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 3mqg s LEU 70 Cb -0.13 -1.72 0.23 0.00 0.03 0.00 0.00 46.19 44.60 3mqg s LEU 70 CO -0.11 -0.08 0.99 -0.62 0.23 0.00 0.00 176.35 176.76 3mqg n GLU 71 N 4.76 -2.11 -1.94 1.70 1.02 -0.19 -0.17 120.64 123.71 3mqg n GLU 71 Ca -0.17 -1.56 -0.35 0.00 -0.02 0.00 0.00 57.16 55.06 3mqg n GLU 71 Cb 0.49 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.68 3mqg n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mqg s ASP 72 N -4.39 5.12 -0.82 1.62 1.01 -1.26 -3.34 116.67 114.61 3mqg s ASP 72 Ca 0.60 2.31 0.00 0.00 0.71 0.00 0.00 52.55 56.18 3mqg s ASP 72 Cb -0.04 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3mqg s ASP 72 CO 0.45 -1.64 0.00 0.47 0.21 0.00 0.00 175.17 174.66 3mqg n ASP 73 N -1.79 -4.36 -4.80 0.27 8.00 -0.01 -1.77 116.55 112.09 3mqg n ASP 73 Ca 0.13 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.46 3mqg n ASP 73 Cb 0.50 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.00 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 -2.14 4.37 -0.20 2.53 1.01 -1.21 -3.37 120.40 121.39 3mqg s VAL 74 Ca 0.00 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 3mqg s VAL 74 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3mqg s VAL 74 CO 0.00 0.02 -0.12 0.12 0.00 0.00 0.00 175.10 175.12 3mqg s PHE 75 N -1.76 2.88 -0.36 5.22 5.36 -0.37 -1.58 117.98 127.37 3mqg s PHE 75 Ca 0.52 -1.30 -0.08 0.00 -0.96 0.00 0.00 56.93 55.11 3mqg s PHE 75 Cb -0.15 -2.02 0.04 0.00 -0.34 0.00 0.00 43.02 40.56 3mqg s PHE 75 CO 0.20 -0.68 0.15 0.00 -1.46 0.00 0.00 175.22 173.43 3mqg s GLY 77 N 1.55 1.62 -0.00 0.00 0.00 0.67 -1.03 107.32 110.13 3mqg s GLY 77 Ca -0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 44.72 43.60 3mqg s GLY 77 CO 0.03 -0.10 1.61 -1.05 0.00 0.00 0.00 173.10 173.59 3mqg n PRO 78 N -3.89 1.68 -1.70 2.90 -0.02 -1.26 -1.82 135.00 130.88 3mqg n PRO 78 Ca 0.10 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3mqg n PRO 78 Cb 0.59 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.26 -5.35 -4.79 2.55 7.64 0.13 -0.71 113.62 117.35 3mqg n SER 79 Ca 0.20 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 60.16 3mqg n SER 79 Cb 0.23 -4.51 0.08 0.00 -1.01 0.00 0.00 64.21 58.99 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 -3.87 2.44 -0.08 1.43 0.23 -0.76 -3.88 119.30 114.81 3mqg s MET 80 Ca 0.00 0.97 0.00 0.00 -1.03 0.00 0.00 55.69 55.63 3mqg s MET 80 Cb 0.00 -1.93 0.02 0.00 -1.53 0.00 0.00 34.83 31.39 3mqg s MET 80 CO 0.00 -1.46 -0.07 0.08 -2.03 0.00 0.00 175.02 171.55 3mqg s VAL 81 N -3.00 0.85 0.33 5.16 1.01 0.22 -4.38 120.40 120.57 3mqg s VAL 81 Ca 0.60 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3mqg s VAL 81 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3mqg s VAL 81 CO 0.55 0.32 0.47 -0.36 0.00 0.00 0.00 175.10 176.08 3mqg s PHE 82 N 1.40 3.16 0.09 5.22 0.08 -1.26 -1.07 117.98 125.61 3mqg s PHE 82 Ca -0.02 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 3mqg s PHE 82 Cb -0.13 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 3mqg s PHE 82 CO -0.04 0.03 0.06 0.95 -0.10 0.00 0.00 175.22 176.12 3mqg s THR 83 N -2.17 0.16 0.00 0.64 -4.23 -1.22 -4.88 115.64 103.95 3mqg s THR 83 Ca 0.44 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3mqg s THR 83 Cb -0.09 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3mqg s THR 83 CO 0.31 -0.73 0.00 -0.46 -0.54 0.00 0.00 174.62 173.20 3mqg n ASN 84 N -0.00 0.01 -4.34 3.99 0.23 -1.26 -4.27 115.26 109.62 3mqg n ASN 84 Ca -0.11 -0.14 -0.33 0.00 -0.53 0.00 0.00 54.58 53.46 3mqg n ASN 84 Cb 0.62 0.18 -0.14 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.18 3.03 0.10 3.53 1.01 -1.26 -1.68 120.40 124.95 3mqg s VAL 85 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3mqg s VAL 85 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 3mqg s VAL 85 CO 0.00 0.51 1.40 0.22 0.00 0.00 0.00 175.10 177.22 3mqg h TYR 86 N 7.08 0.84 -2.08 5.22 5.03 -1.90 -3.39 116.97 127.77 3mqg h TYR 86 Ca -0.30 -0.27 -0.54 0.00 2.58 0.00 0.00 58.73 60.20 3mqg h TYR 86 Cb 1.20 -0.17 -0.40 0.00 1.55 0.00 0.00 36.73 38.90 3mqg h TYR 86 CO 0.52 1.02 -0.99 0.27 -1.32 0.00 0.00 178.16 177.66 3mqg n ASN 87 N -4.25 1.69 -4.77 -2.11 6.94 -1.26 -5.01 115.26 106.49 3mqg n ASN 87 Ca -0.04 -3.09 -0.39 0.00 -0.02 0.00 0.00 54.58 51.03 3mqg n ASN 87 Cb 0.50 -0.62 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 3mqg n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3mqg s PRO 88 N -2.25 3.99 -0.02 -0.53 0.04 -1.26 -5.03 135.00 129.93 3mqg s PRO 88 Ca 0.40 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.52 3mqg s PRO 88 Cb 0.26 -2.74 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3mqg s PRO 88 CO -0.09 -0.45 -0.02 1.03 0.04 0.00 0.00 177.00 177.51 3mqg s ARG 89 N -2.25 0.40 0.47 4.56 1.81 -1.26 -5.05 118.95 117.63 3mqg s ARG 89 Ca 0.57 -0.01 0.14 0.00 -1.72 0.00 0.00 55.73 54.70 3mqg s ARG 89 Cb -0.36 -0.50 1.08 0.00 -0.45 0.00 0.00 34.95 34.72 3mqg s ARG 89 CO 0.46 -0.07 2.06 0.00 -0.68 0.00 0.00 175.30 177.07 3mqg h ALA 90 N 6.92 1.81 -0.00 2.13 0.00 -2.04 -1.54 119.26 126.54 3mqg h ALA 90 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3mqg h ALA 90 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mqg h ALA 90 CO 0.48 0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3mqg n ALA 91 N -2.52 2.45 -3.95 0.00 0.00 -1.26 -4.71 120.51 110.53 3mqg n ALA 91 Ca -0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 3mqg n ALA 91 Cb 0.16 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.75 1.46 0.13 0.00 1.01 -0.58 -5.10 121.20 115.37 3mqg s ILE 92 Ca 0.22 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3mqg s ILE 92 Cb 0.20 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 3mqg s ILE 92 CO 0.49 0.05 1.09 -1.61 0.00 0.00 0.00 174.94 174.97 3mqg s GLU 93 N 1.45 4.57 -0.14 2.79 2.02 -1.26 -4.51 118.70 123.62 3mqg s GLU 93 Ca -0.03 1.67 0.15 0.00 0.02 0.00 0.00 54.97 56.78 3mqg s GLU 93 Cb -0.17 -3.32 0.36 0.00 0.10 0.00 0.00 34.13 31.10 3mqg s GLU 93 CO -0.07 0.01 1.18 0.54 0.02 0.00 0.00 175.26 176.94 3mqg n ARG 94 N 2.87 1.12 -0.35 1.61 1.74 -1.26 -4.73 116.66 117.67 3mqg n ARG 94 Ca 0.04 -2.75 0.08 0.00 -0.77 0.00 0.00 57.85 54.44 3mqg n ARG 94 Cb 0.47 -1.22 0.24 0.00 -1.02 0.00 0.00 32.46 30.93 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 0.72 0.87 -0.01 5.56 1.79 -1.98 -0.95 116.57 122.58 3mqg h LYS 95 Ca -0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3mqg h LYS 95 Cb 1.19 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3mqg h LYS 95 CO 0.02 0.58 0.03 0.66 -1.08 0.00 0.00 179.45 179.66 3mqg h SER 96 N 0.90 0.00 -0.18 0.86 4.64 -2.02 -3.03 113.55 114.72 3mqg h SER 96 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3mqg h SER 96 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3mqg h SER 96 CO -0.29 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.05 3mqg n GLU 97 N -3.18 2.64 -1.68 4.77 1.02 -0.37 -5.03 120.64 118.81 3mqg n GLU 97 Ca -0.03 -2.23 -0.40 0.00 -0.02 0.00 0.00 57.16 54.49 3mqg n GLU 97 Cb 0.10 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.33 1.79 -4.65 -0.32 4.01 -1.15 -4.79 117.16 111.72 3mqg n TYR 98 Ca 0.12 0.49 -0.32 0.00 -0.16 0.00 0.00 57.90 58.03 3mqg n TYR 98 Cb 0.55 -2.31 -0.12 0.00 -0.31 0.00 0.00 39.34 37.15 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 -2.39 2.47 0.44 -0.72 0.52 -0.68 -5.04 118.95 113.55 3mqg s ARG 99 Ca 0.66 -0.74 -0.21 0.00 -0.52 0.00 0.00 55.73 54.91 3mqg s ARG 99 Cb -0.48 -2.41 -0.10 0.00 0.52 0.00 0.00 34.95 32.47 3mqg s ARG 99 CO 0.54 0.60 0.97 -0.51 0.02 0.00 0.00 175.30 176.93 3mqg s ASP 100 N -1.13 6.83 -0.17 0.23 1.01 -1.26 -4.24 116.67 117.93 3mqg s ASP 100 Ca 0.14 1.74 0.01 0.00 0.71 0.00 0.00 52.55 55.15 3mqg s ASP 100 Cb -0.11 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.30 3mqg s ASP 100 CO 0.04 -0.44 -0.20 -0.89 0.21 0.00 0.00 175.17 173.89 3mqg s THR 101 N -2.14 2.03 -0.19 -1.27 2.01 -0.33 -1.25 115.64 114.50 3mqg s THR 101 Ca 0.63 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3mqg s THR 101 Cb -0.11 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3mqg s THR 101 CO 0.14 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.86 3mqg s ILE 102 N 1.22 2.73 -0.25 1.82 1.01 -1.05 -0.75 121.20 125.92 3mqg s ILE 102 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 3mqg s ILE 102 Cb -0.13 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3mqg s ILE 102 CO -0.11 0.48 -0.00 -0.69 0.00 0.00 0.00 174.94 174.62 3mqg s VAL 103 N 1.31 3.52 0.64 2.92 1.01 0.21 -0.56 120.40 129.45 3mqg s VAL 103 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3mqg s VAL 103 Cb -0.14 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3mqg s VAL 103 CO -0.07 0.27 1.00 -0.13 0.00 0.00 0.00 175.10 176.17 3mqg s ARG 104 N 1.46 2.97 0.10 2.72 1.81 0.03 -1.02 118.95 127.03 3mqg s ARG 104 Ca 0.04 0.28 -0.36 0.00 -1.72 0.00 0.00 55.73 53.97 3mqg s ARG 104 Cb -0.16 -2.14 -0.17 0.00 -0.45 0.00 0.00 34.95 32.03 3mqg s ARG 104 CO -0.01 -0.82 1.29 0.94 -0.68 0.00 0.00 175.30 176.01 3mqg n GLN 105 N -2.78 1.10 -0.25 3.54 7.27 -1.26 -2.08 117.38 122.92 3mqg n GLN 105 Ca 0.06 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3mqg n GLN 105 Cb 0.57 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.22 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 2.38 2.14 3.74 1.69 0.00 -0.73 -1.11 105.19 113.31 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 -3.12 2.52 -0.13 4.61 0.00 -0.88 -4.04 121.76 120.71 3mqg s ALA 107 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3mqg s ALA 107 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3mqg s ALA 107 CO 0.00 -1.34 -0.16 0.99 0.00 0.00 0.00 175.76 175.24 3mqg s THR 108 N -1.48 2.68 -0.34 0.00 2.01 -0.35 -1.23 115.64 116.92 3mqg s THR 108 Ca 0.79 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 3mqg s THR 108 Cb -0.34 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.11 3mqg s THR 108 CO 0.37 0.53 0.11 -0.76 -0.69 0.00 0.00 174.62 174.18 3mqg s LEU 109 N 0.51 4.36 0.79 4.42 1.43 0.51 -0.71 118.68 129.99 3mqg s LEU 109 Ca -0.11 -1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 51.66 3mqg s LEU 109 Cb -0.16 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.28 3mqg s LEU 109 CO 0.04 -0.34 1.16 -0.83 0.23 0.00 0.00 176.35 176.61 3mqg s GLY 110 N 1.45 1.98 0.06 -3.19 0.00 0.38 -0.24 107.32 107.76 3mqg s GLY 110 Ca -0.01 0.64 -0.37 0.00 0.00 0.00 0.00 44.72 44.98 3mqg s GLY 110 CO 0.02 1.03 1.38 0.00 0.00 0.00 0.00 173.10 175.53 3mqg n ALA 111 N -3.35 -0.89 -1.31 3.20 0.00 -1.26 -1.53 120.51 115.36 3mqg n ALA 111 Ca 0.12 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 53.96 3mqg n ALA 111 Cb 0.51 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 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 2.76 -4.83 -4.81 0.00 5.15 0.12 -0.66 115.26 112.98 3mqg n ASN 112 Ca 0.19 0.27 -0.29 0.00 -0.60 0.00 0.00 54.58 54.15 3mqg n ASN 112 Cb 0.19 -3.28 0.11 0.00 -0.53 0.00 0.00 39.78 36.27 3mqg n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mqg s THR 114 N -3.30 0.39 -0.20 0.00 2.01 -0.21 -0.61 115.64 113.72 3mqg s THR 114 Ca 0.63 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3mqg s THR 114 Cb -0.14 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.06 3mqg s THR 114 CO 0.53 0.12 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.73 3mqg s VAL 115 N -0.03 1.94 0.18 3.82 1.01 -0.23 -0.46 120.40 126.64 3mqg s VAL 115 Ca 0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 3mqg s VAL 115 Cb -0.03 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 3mqg s VAL 115 CO -0.00 0.33 1.32 -0.69 0.00 0.00 0.00 175.10 176.06 3mqg s VAL 116 N 1.29 3.24 0.58 2.92 1.01 0.39 -3.40 120.40 126.43 3mqg s VAL 116 Ca 0.01 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 3mqg s VAL 116 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3mqg s VAL 116 CO -0.10 0.13 1.23 0.00 0.00 0.00 0.00 175.10 176.37 3mqg n GLY 118 N 0.94 2.82 3.81 0.00 0.00 -0.38 -4.90 105.19 107.48 3mqg n GLY 118 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.57 2.93 -0.14 4.61 0.00 -1.18 -4.87 121.76 120.55 3mqg s ALA 119 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 3mqg s ALA 119 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3mqg s ALA 119 CO 0.00 -0.21 -0.09 0.99 0.00 0.00 0.00 175.76 176.45 3mqg s THR 120 N -2.16 3.42 -0.25 0.00 2.01 -1.26 -2.53 115.64 114.89 3mqg s THR 120 Ca 0.64 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 3mqg s THR 120 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3mqg s THR 120 CO 0.21 0.52 0.11 -0.63 -0.69 0.00 0.00 174.62 174.13 3mqg s ILE 121 N 0.27 4.70 0.86 1.82 1.01 0.28 -1.18 121.20 128.96 3mqg s ILE 121 Ca -0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 3mqg s ILE 121 Cb -0.15 -3.20 0.11 0.00 0.01 0.00 0.00 42.46 39.23 3mqg s ILE 121 CO 0.04 0.33 1.12 -0.83 0.00 0.00 0.00 174.94 175.61 3mqg s GLY 122 N 1.43 1.59 0.16 6.18 0.00 0.44 -0.79 107.32 116.34 3mqg s GLY 122 Ca 0.06 -0.40 -0.34 0.00 0.00 0.00 0.00 44.72 44.04 3mqg s GLY 122 CO 0.05 0.10 1.61 0.54 0.00 0.00 0.00 173.10 175.41 3mqg n ARG 123 N -3.62 2.26 -1.50 2.90 1.74 -1.26 -1.92 116.66 115.27 3mqg n ARG 123 Ca 0.07 0.82 -0.17 0.00 -0.77 0.00 0.00 57.85 57.79 3mqg n ARG 123 Cb 0.58 -2.60 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 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 3.64 -0.19 -0.56 -1.55 4.01 -0.26 -0.50 117.16 121.74 3mqg n TYR 124 Ca 0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.61 3mqg n TYR 124 Cb 0.30 -3.03 0.22 0.00 -0.31 0.00 0.00 39.34 36.52 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 0.93 -2.16 -3.62 -0.72 0.00 -0.81 -3.91 120.51 110.23 3mqg n ALA 125 Ca -0.17 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.09 3mqg n ALA 125 Cb 0.56 -2.06 -0.17 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.49 0.15 -0.32 0.00 5.36 0.22 -1.21 117.98 119.69 3mqg s PHE 126 Ca 0.67 -0.16 -0.17 0.00 -0.96 0.00 0.00 56.93 56.32 3mqg s PHE 126 Cb -0.24 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 3mqg s PHE 126 CO 0.63 -0.44 0.44 0.08 -1.46 0.00 0.00 175.22 174.47 3mqg s VAL 127 N 2.15 5.10 0.77 3.12 1.01 0.11 -1.55 120.40 131.12 3mqg s VAL 127 Ca 0.03 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 3mqg s VAL 127 Cb -0.15 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.44 3mqg s VAL 127 CO -0.08 -0.06 1.17 -0.83 0.00 0.00 0.00 175.10 175.30 3mqg s GLY 128 N 1.70 2.09 0.16 4.51 0.00 0.47 -0.47 107.32 115.79 3mqg s GLY 128 Ca 0.16 0.70 -0.33 0.00 0.00 0.00 0.00 44.72 45.25 3mqg s GLY 128 CO 0.12 1.10 1.16 0.00 0.00 0.00 0.00 173.10 175.48 3mqg n ALA 129 N -3.13 -0.95 -0.78 3.20 0.00 -1.26 -1.98 120.51 115.60 3mqg n ALA 129 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3mqg n ALA 129 Cb 0.51 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.04 1.27 3.76 0.00 0.00 0.16 -4.84 105.19 107.59 3mqg n GLY 130 Ca 0.16 0.00 -0.33 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 -3.60 2.38 -0.31 4.61 0.00 -0.84 -4.73 121.76 119.28 3mqg s ALA 131 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 3mqg s ALA 131 Cb 0.00 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.85 3mqg s ALA 131 CO 0.00 -1.45 0.01 0.08 0.00 0.00 0.00 175.76 174.40 3mqg s VAL 132 N -2.39 2.88 -0.18 0.00 1.01 -0.35 -1.05 120.40 120.33 3mqg s VAL 132 Ca 0.67 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 3mqg s VAL 132 Cb -0.21 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3mqg s VAL 132 CO 0.44 -0.17 0.71 -0.69 0.00 0.00 0.00 175.10 175.39 3mqg s VAL 133 N 1.21 4.97 -0.04 2.92 1.01 0.40 -0.29 120.40 130.57 3mqg s VAL 133 Ca -0.04 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.39 3mqg s VAL 133 Cb -0.20 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.30 3mqg s VAL 133 CO -0.02 0.08 1.07 -0.46 0.00 0.00 0.00 175.10 175.77 3mqg n ASN 134 N 5.07 0.78 -3.76 3.32 6.94 -1.26 -0.46 115.26 125.88 3mqg n ASN 134 Ca 0.01 -2.36 -0.10 0.00 -0.02 0.00 0.00 54.58 52.11 3mqg n ASN 134 Cb 0.49 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 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 -0.86 1.05 0.51 -3.83 -2.85 -1.26 -4.99 119.74 107.51 3mqg s LYS 135 Ca 0.14 -0.87 -0.22 0.00 -1.00 0.00 0.00 55.97 54.02 3mqg s LYS 135 Cb 0.13 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.25 3mqg s LYS 135 CO -0.02 -0.39 1.14 -0.25 0.10 0.00 0.00 175.35 175.93 3mqg n ASP 136 N -0.19 1.75 -4.33 0.03 8.00 -1.26 -4.76 116.55 115.79 3mqg n ASP 136 Ca -0.14 0.97 -0.36 0.00 0.71 0.00 0.00 54.79 55.97 3mqg n ASP 136 Cb 0.63 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 3mqg n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqg s VAL 137 N -1.34 3.66 0.85 2.53 1.01 -0.33 -4.98 120.40 121.81 3mqg s VAL 137 Ca 0.69 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 3mqg s VAL 137 Cb -0.47 -2.78 0.10 0.00 0.00 0.00 0.00 36.38 33.24 3mqg s VAL 137 CO 0.52 0.26 1.14 -2.65 0.00 0.00 0.00 175.10 174.37 3mqg n PRO 138 N 4.82 -0.05 -1.60 2.72 -0.02 -1.26 -0.42 135.00 139.19 3mqg n PRO 138 Ca -0.16 0.06 -0.48 0.00 -2.02 0.00 0.00 63.50 60.90 3mqg n PRO 138 Cb 0.49 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3mqg n PRO 138 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mqg n ASP 139 N -3.46 1.72 0.00 2.55 8.00 -1.26 -1.63 116.55 122.47 3mqg n ASP 139 Ca 0.13 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.77 3mqg n ASP 139 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 1.62 0.00 -2.36 1.24 3.01 0.34 -4.51 117.46 116.80 3mqg n PHE 140 Ca 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.19 3mqg n PHE 140 Cb 0.26 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.69 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 -1.93 3.44 -0.33 4.37 0.00 -0.65 -0.15 121.76 126.51 3mqg s ALA 141 Ca 0.00 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 3mqg s ALA 141 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3mqg s ALA 141 CO 0.00 -0.36 0.34 -1.17 0.00 0.00 0.00 175.76 174.57 3mqg s LEU 142 N -0.72 4.38 0.03 0.00 2.96 -0.43 -0.61 118.68 124.28 3mqg s LEU 142 Ca 0.50 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.31 3mqg s LEU 142 Cb -0.34 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3mqg s LEU 142 CO 0.40 -0.30 -0.24 0.68 -1.32 0.00 0.00 176.35 175.57 3mqg s VAL 143 N 1.99 1.89 0.06 1.68 -7.23 -0.59 -1.02 120.40 117.17 3mqg s VAL 143 Ca 0.11 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 3mqg s VAL 143 Cb -0.16 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 3mqg s VAL 143 CO 0.11 0.36 0.10 0.68 -0.31 0.00 0.00 175.10 176.04 3mqg s VAL 144 N -0.72 0.16 0.00 1.32 -7.23 -0.63 -0.40 120.40 112.90 3mqg s VAL 144 Ca 0.10 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3mqg s VAL 144 Cb -0.09 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3mqg s VAL 144 CO 0.01 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3mqg n GLY 145 N 0.23 1.52 3.03 2.32 0.00 -1.26 -0.86 105.19 110.17 3mqg n GLY 145 Ca -0.16 -2.08 -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 -1.82 2.17 0.83 1.61 1.01 -1.26 -1.21 120.40 121.74 3mqg s VAL 146 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 61.98 59.85 3mqg s VAL 146 Cb 0.00 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.99 3mqg s VAL 146 CO 0.00 -0.37 1.11 -2.16 0.00 0.00 0.00 175.10 173.68 3mqg s PRO 147 N 1.01 1.83 0.29 2.72 0.04 -1.26 -5.01 135.00 134.62 3mqg s PRO 147 Ca 0.03 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 3mqg s PRO 147 Cb -0.19 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3mqg s PRO 147 CO -0.07 -1.78 1.22 0.00 0.04 0.00 0.00 177.00 176.40 3mqg s ALA 148 N -3.19 3.46 0.04 8.56 0.00 0.60 -4.83 121.76 126.40 3mqg s ALA 148 Ca 0.62 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.70 3mqg s ALA 148 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3mqg s ALA 148 CO 0.54 -0.42 -0.13 1.03 0.00 0.00 0.00 175.76 176.78 3mqg s ARG 149 N -1.41 0.85 0.02 0.00 1.81 -0.04 -4.85 118.95 115.33 3mqg s ARG 149 Ca 0.48 -0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 53.46 3mqg s ARG 149 Cb -0.36 -0.83 -0.04 0.00 -0.45 0.00 0.00 34.95 33.27 3mqg s ARG 149 CO 0.46 0.20 1.04 -1.14 -0.68 0.00 0.00 175.30 175.18 3mqg s GLN 150 N -1.14 4.53 0.00 3.54 0.74 -1.26 -1.61 119.66 124.45 3mqg s GLN 150 Ca 0.00 1.52 0.00 0.00 0.05 0.00 0.00 55.36 56.93 3mqg s GLN 150 Cb -0.08 -3.43 -0.00 0.00 1.10 0.00 0.00 33.01 30.60 3mqg s GLN 150 CO 0.01 -0.10 0.17 0.44 -0.55 0.00 0.00 175.29 175.26 3mqg n ILE 151 N 3.87 0.00 -3.30 -2.34 -5.35 -0.19 -4.98 119.36 107.07 3mqg n ILE 151 Ca 0.07 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3mqg n ILE 151 Cb 0.50 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.72 0.78 2.92 3.28 0.00 -1.18 -4.97 105.19 106.73 3mqg n GLY 152 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.34 0.52 -0.12 1.61 0.52 -1.26 -1.32 118.94 116.55 3mqg s TRP 153 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 3mqg s TRP 153 Cb 0.00 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 3mqg s TRP 153 CO 0.00 -0.07 -0.07 -1.64 0.02 0.00 0.00 176.95 175.19 3mqg s MET 154 N 0.32 3.32 0.92 4.98 -1.94 0.78 -0.45 119.30 127.23 3mqg s MET 154 Ca -0.04 -0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 3mqg s MET 154 Cb -0.07 -2.75 0.14 0.00 2.01 0.00 0.00 34.83 34.16 3mqg s MET 154 CO -0.00 0.38 1.09 -1.54 -0.01 0.00 0.00 175.02 174.94 3mqg s SER 155 N -0.03 3.13 0.33 3.03 1.04 -0.59 -4.67 113.70 115.94 3mqg s SER 155 Ca -0.00 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.21 3mqg s SER 155 Cb -0.13 -2.33 0.80 0.00 0.10 0.00 0.00 66.02 64.45 3mqg s SER 155 CO 0.03 -2.89 1.80 0.03 0.98 0.00 0.00 173.24 173.19 3mqg h ARG 156 N -1.72 0.69 0.00 4.02 3.08 -1.90 0.55 114.38 119.10 3mqg h ARG 156 Ca -0.49 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 3mqg h ARG 156 Cb 1.28 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3mqg h ARG 156 CO 0.51 0.46 -0.13 1.25 -1.07 0.00 0.00 179.97 180.98 3mqg h HIS 157 N 0.71 0.00 0.00 3.04 2.76 -1.99 -3.46 115.15 116.21 3mqg h HIS 157 Ca 0.55 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 3mqg h HIS 157 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3mqg h HIS 157 CO -0.00 0.13 0.00 0.41 -1.30 0.00 0.00 177.93 177.17 3mqg n GLY 158 N -1.08 1.16 3.10 5.26 0.00 0.18 -5.13 105.19 108.68 3mqg n GLY 158 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3mqg n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqg s GLU 159 N -0.16 0.63 0.43 1.61 2.02 -1.26 -4.91 118.70 117.05 3mqg s GLU 159 Ca 0.00 -0.94 -0.25 0.00 0.02 0.00 0.00 54.97 53.79 3mqg s GLU 159 Cb 0.00 -0.28 -0.08 0.00 0.10 0.00 0.00 34.13 33.87 3mqg s GLU 159 CO 0.00 0.03 1.32 -0.65 0.02 0.00 0.00 175.26 175.98 3mqg s GLN 160 N -2.28 3.85 0.17 1.61 -0.21 -1.26 -1.54 119.66 120.00 3mqg s GLN 160 Ca -0.03 2.18 -0.09 0.00 0.02 0.00 0.00 55.36 57.44 3mqg s GLN 160 Cb -0.05 -2.68 -0.06 0.00 1.00 0.00 0.00 33.01 31.21 3mqg s GLN 160 CO -0.01 -0.59 0.47 -0.51 -2.12 0.00 0.00 175.29 172.53 3mqg s LEU 161 N -2.59 4.24 -1.31 2.90 1.43 0.41 -4.83 118.68 118.93 3mqg s LEU 161 Ca 0.59 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 3mqg s LEU 161 Cb -0.38 -3.42 0.10 0.00 0.03 0.00 0.00 46.19 42.51 3mqg s LEU 161 CO 0.49 0.02 1.77 -0.67 0.23 0.00 0.00 176.35 178.19 3mqg n ASP 162 N 0.18 4.83 -3.95 2.29 2.03 -1.26 -4.62 116.55 116.05 3mqg n ASP 162 Ca -0.02 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.20 3mqg n ASP 162 Cb 0.52 -1.67 -0.14 0.00 -0.72 0.00 0.00 41.12 39.11 3mqg n ASP 162 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mqg s LEU 163 N 2.87 2.02 0.90 -2.67 1.43 -1.26 -4.67 118.68 117.30 3mqg s LEU 163 Ca 0.49 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 3mqg s LEU 163 Cb 0.05 -0.22 0.13 0.00 0.03 0.00 0.00 46.19 46.17 3mqg s LEU 163 CO 0.03 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 3mqg s PRO 164 N -0.16 1.24 0.15 1.29 0.04 -1.26 -4.80 135.00 131.50 3mqg s PRO 164 Ca 0.01 0.58 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 3mqg s PRO 164 Cb -0.02 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.73 3mqg s PRO 164 CO -0.00 -2.19 1.66 -0.07 0.04 0.00 0.00 177.00 176.44 3mqg h LEU 165 N -1.50 0.78 -9.26 -3.56 3.38 -1.96 -3.47 115.31 99.71 3mqg h LEU 165 Ca -0.50 -0.23 -0.52 0.00 0.09 0.00 0.00 57.88 56.72 3mqg h LEU 165 Cb 1.30 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 3mqg h LEU 165 CO 0.58 0.80 -0.65 -0.13 0.09 0.00 0.00 178.44 179.14 3mqg s ARG 166 N -5.32 1.66 1.76 1.13 0.52 -1.26 -4.63 118.95 112.81 3mqg s ARG 166 Ca -0.13 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.20 3mqg s ARG 166 Cb 0.12 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.38 3mqg s ARG 166 CO 0.80 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.50 3mqg n GLY 167 N -0.68 -0.32 3.15 -3.53 0.00 -1.26 -4.76 105.19 97.78 3mqg n GLY 167 Ca -0.05 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 2.38 0.25 1.61 0.01 -1.26 -1.47 114.94 112.46 3mqg s ASN 168 Ca 0.00 -0.40 -0.20 0.00 -0.71 0.00 0.00 52.86 51.55 3mqg s ASN 168 Cb 0.00 -0.81 0.06 0.00 0.41 0.00 0.00 41.25 40.92 3mqg s ASN 168 CO 0.00 0.15 0.93 0.00 -1.51 0.00 0.00 177.10 176.66 3mqg s ALA 169 N 0.17 -1.30 0.02 0.60 0.00 -0.59 -4.99 121.76 115.67 3mqg s ALA 169 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3mqg s ALA 169 Cb -0.14 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 3mqg s ALA 169 CO 0.04 -1.03 -0.03 -1.21 0.00 0.00 0.00 175.76 173.52 3mqg s GLU 170 N -2.47 0.33 0.11 0.00 2.02 -1.26 -0.96 118.70 116.47 3mqg s GLU 170 Ca 0.18 -0.62 -0.12 0.00 0.02 0.00 0.00 54.97 54.43 3mqg s GLU 170 Cb -0.03 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.28 3mqg s GLU 170 CO 0.07 -0.04 0.29 0.00 0.02 0.00 0.00 175.26 175.60 3mqg s ALA 171 N -1.44 -0.50 -0.05 5.21 0.00 -0.48 -4.86 121.76 119.64 3mqg s ALA 171 Ca -0.15 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3mqg s ALA 171 Cb -0.10 0.61 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 3mqg s ALA 171 CO -0.01 -0.58 -0.17 0.99 0.00 0.00 0.00 175.76 175.98 3mqg s THR 172 N -3.85 1.47 0.10 0.00 2.01 -1.26 -0.39 115.64 113.72 3mqg s THR 172 Ca 0.05 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 61.02 3mqg s THR 172 Cb 0.03 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 3mqg s THR 172 CO -0.10 0.43 1.56 0.00 -0.69 0.00 0.00 174.62 175.81 3mqg h PRO 174 N 7.57 0.00 0.00 0.00 0.13 -1.96 0.11 132.00 137.85 3mqg h PRO 174 Ca -0.42 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.47 3mqg h PRO 174 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3mqg h PRO 174 CO 0.91 0.00 -1.34 0.45 -0.23 0.00 0.00 178.00 177.79 3mqg h HIS 175 N 0.00 0.00 0.00 1.56 3.86 -1.98 -3.39 115.15 115.21 3mqg h HIS 175 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mqg h HIS 175 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 3mqg h HIS 175 CO 0.00 0.95 -0.75 0.25 0.86 0.00 0.00 177.93 179.24 3mqg n THR 176 N -3.17 0.00 -0.90 2.45 -2.24 -1.23 -5.02 114.28 104.17 3mqg n THR 176 Ca -0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3mqg n THR 176 Cb 0.98 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 1.99 0.31 3.63 3.38 0.00 0.37 -5.01 105.19 109.87 3mqg n GLY 177 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3mqg n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mqg n GLU 178 N -1.23 1.69 -3.77 1.61 2.13 -1.26 -4.66 120.64 115.15 3mqg n GLU 178 Ca 0.00 0.60 -0.36 0.00 0.66 0.00 0.00 57.16 58.06 3mqg n GLU 178 Cb 0.18 -2.24 -0.07 0.00 0.27 0.00 0.00 31.44 29.58 3mqg n GLU 178 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3mqg s ARG 179 N 0.03 3.78 0.02 5.31 0.52 -1.26 -0.84 118.95 126.51 3mqg s ARG 179 Ca 0.74 -0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.93 3mqg s ARG 179 Cb -0.76 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 31.40 3mqg s ARG 179 CO 0.47 0.58 -0.20 0.71 0.02 0.00 0.00 175.30 176.87 3mqg s TYR 180 N -0.47 2.50 -0.09 -0.53 1.51 0.47 -0.64 117.35 120.10 3mqg s TYR 180 Ca 0.14 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 3mqg s TYR 180 Cb -0.12 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3mqg s TYR 180 CO 0.03 0.17 -0.19 0.42 -1.11 0.00 0.00 175.55 174.87 3mqg s ILE 181 N -0.82 1.68 -0.25 2.71 1.01 0.18 -1.38 121.20 124.33 3mqg s ILE 181 Ca 0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 3mqg s ILE 181 Cb -0.10 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3mqg s ILE 181 CO 0.03 0.48 0.14 -0.22 0.00 0.00 0.00 174.94 175.36 3mqg s LEU 182 N 0.59 3.87 -0.16 2.97 2.96 -0.14 -0.93 118.68 127.86 3mqg s LEU 182 Ca -0.15 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3mqg s LEU 182 Cb -0.17 -2.05 0.04 0.00 0.50 0.00 0.00 46.19 44.51 3mqg s LEU 182 CO 0.05 0.00 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.12 3mqg s THR 183 N 1.43 1.18 -1.51 3.68 2.01 0.10 -1.55 115.64 120.98 3mqg s THR 183 Ca 0.07 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 3mqg s THR 183 Cb -0.15 -1.29 0.08 0.00 0.01 0.00 0.00 72.50 71.14 3mqg s THR 183 CO 0.07 0.21 0.84 0.47 -0.69 0.00 0.00 174.62 175.52 3mqg n ASP 184 N 4.86 -3.46 -0.32 3.53 10.43 -0.95 -1.31 116.55 129.33 3mqg n ASP 184 Ca -0.13 -0.85 -0.04 0.00 2.57 0.00 0.00 54.79 56.34 3mqg n ASP 184 Cb 0.48 -3.63 -0.02 0.00 1.84 0.00 0.00 41.12 39.79 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 -1.65 0.67 3.29 0.44 0.00 -0.54 -4.73 105.19 102.67 3mqg n GLY 185 Ca -0.05 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.98 2.82 -0.12 1.61 1.01 -0.43 -4.92 120.40 118.39 3mqg s VAL 186 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3mqg s VAL 186 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3mqg s VAL 186 CO 0.00 0.51 0.24 0.00 0.00 0.00 0.00 175.10 175.85 3mqg s ARG 188 N -0.39 0.38 0.11 0.00 1.70 -0.10 -4.79 118.95 115.86 3mqg s ARG 188 Ca 0.16 -0.73 -0.31 0.00 -0.47 0.00 0.00 55.73 54.38 3mqg s ARG 188 Cb -0.13 0.13 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 3mqg s ARG 188 CO 0.05 -0.07 1.49 -1.17 -1.08 0.00 0.00 175.30 174.52 3mqg s LEU 189 N -1.77 4.36 0.00 -1.89 2.96 -1.26 -0.64 118.68 120.44 3mqg s LEU 189 Ca -0.11 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3mqg s LEU 189 Cb -0.06 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3mqg s LEU 189 CO -0.03 -0.75 0.41 0.00 -1.32 0.00 0.00 176.35 174.67