#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 0.11 -2.69 3.17 0.00 -1.25 -4.25 120.51 115.60 3mqg n ALA 2 Ca 0.00 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 3mqg n ALA 2 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 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 -0.64 5.19 -0.19 0.00 -4.23 -0.45 -4.95 115.64 110.37 3mqg s THR 3 Ca 0.64 0.83 0.01 0.00 -1.18 0.00 0.00 61.69 61.99 3mqg s THR 3 Cb -0.71 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 69.41 3mqg s THR 3 CO 0.56 0.38 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.27 3mqg s ILE 4 N 0.31 1.74 0.21 2.99 1.01 -1.26 -0.61 121.20 125.58 3mqg s ILE 4 Ca 0.23 -1.00 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 3mqg s ILE 4 Cb -0.15 -1.75 -0.15 0.00 0.01 0.00 0.00 42.46 40.42 3mqg s ILE 4 CO 0.09 0.24 1.12 1.57 0.00 0.00 0.00 174.94 177.97 3mqg n HIS 5 N 4.67 1.30 0.23 3.97 -0.00 -0.05 -4.86 115.22 120.47 3mqg n HIS 5 Ca -0.16 0.68 0.18 0.00 -0.00 0.00 0.00 57.72 58.42 3mqg n HIS 5 Cb 0.47 -2.27 0.86 0.00 -0.00 0.00 0.00 29.99 29.05 3mqg n HIS 5 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mqg h PRO 6 N 3.02 0.00 0.00 1.57 0.11 -1.93 -0.62 132.00 134.15 3mqg h PRO 6 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mqg h PRO 6 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3mqg h PRO 6 CO 0.68 0.00 -0.21 0.25 -0.21 0.00 0.00 178.00 178.51 3mqg n THR 7 N -3.66 0.09 -1.99 -1.15 -2.24 -1.26 -4.86 114.28 99.20 3mqg n THR 7 Ca 0.01 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 3mqg n THR 7 Cb 0.32 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.02 2.68 -0.26 6.98 0.00 -0.24 -3.93 121.76 123.96 3mqg s ALA 8 Ca 0.12 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3mqg s ALA 8 Cb 0.17 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 20.10 3mqg s ALA 8 CO 0.61 -0.91 -0.07 0.42 0.00 0.00 0.00 175.76 175.81 3mqg s ILE 9 N -2.40 1.92 -0.36 0.00 1.01 0.56 -4.94 121.20 116.98 3mqg s ILE 9 Ca 0.65 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 3mqg s ILE 9 Cb -0.17 -2.13 0.07 0.00 0.01 0.00 0.00 42.46 40.24 3mqg s ILE 9 CO 0.37 -0.12 0.14 -0.69 0.00 0.00 0.00 174.94 174.64 3mqg s VAL 10 N 1.20 3.58 0.41 2.92 1.01 -1.26 -1.04 120.40 127.21 3mqg s VAL 10 Ca -0.06 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 3mqg s VAL 10 Cb -0.19 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 3mqg s VAL 10 CO -0.06 -0.35 1.26 -1.81 0.00 0.00 0.00 175.10 174.13 3mqg s ASP 11 N 1.62 6.36 0.06 3.32 1.01 -0.17 -4.91 116.67 123.96 3mqg s ASP 11 Ca 0.01 2.55 -0.38 0.00 0.71 0.00 0.00 52.55 55.44 3mqg s ASP 11 Cb -0.21 -2.63 -0.18 0.00 1.01 0.00 0.00 42.92 40.91 3mqg s ASP 11 CO 0.00 -0.81 1.19 1.21 0.21 0.00 0.00 175.17 176.98 3mqg n GLU 12 N 0.08 0.62 0.00 8.23 2.13 -1.26 -1.91 120.64 128.54 3mqg n GLU 12 Ca 0.04 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3mqg n GLU 12 Cb 0.45 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 2.04 2.70 3.76 8.31 0.00 -1.26 -4.45 105.19 116.29 3mqg n GLY 13 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.56 3.00 -0.16 4.61 0.00 -0.66 -4.70 121.76 121.30 3mqg s ALA 14 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3mqg s ALA 14 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3mqg s ALA 14 CO 0.00 -0.95 -0.17 1.03 0.00 0.00 0.00 175.76 175.67 3mqg s ARG 15 N -2.64 3.15 -0.08 0.00 0.52 -0.74 -5.01 118.95 114.15 3mqg s ARG 15 Ca 0.64 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 3mqg s ARG 15 Cb -0.35 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.55 3mqg s ARG 15 CO 0.43 -0.02 -0.09 0.42 0.02 0.00 0.00 175.30 176.07 3mqg s ILE 16 N 0.88 0.96 0.82 1.52 1.01 -1.26 -0.79 121.20 124.35 3mqg s ILE 16 Ca -0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3mqg s ILE 16 Cb -0.15 -0.94 0.08 0.00 0.01 0.00 0.00 42.46 41.46 3mqg s ILE 16 CO -0.02 0.34 1.10 -0.83 0.00 0.00 0.00 174.94 175.53 3mqg s GLY 17 N 1.19 1.62 0.45 6.18 0.00 -0.12 -4.59 107.32 112.05 3mqg s GLY 17 Ca -0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 3mqg s GLY 17 CO -0.02 0.27 0.88 0.00 0.00 0.00 0.00 173.10 174.23 3mqg n ALA 18 N -3.54 -0.23 -0.83 3.20 0.00 -1.26 -2.46 120.51 115.38 3mqg n ALA 18 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3mqg n ALA 18 Cb 0.56 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.78 0.00 -1.79 0.00 8.25 -1.26 -1.20 115.22 118.44 3mqg n HIS 19 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 3mqg n HIS 19 Cb 0.41 -0.85 0.04 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.33 5.43 -0.08 0.41 0.01 -1.03 -4.06 113.70 112.05 3mqg s SER 20 Ca 0.00 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.07 3mqg s SER 20 Cb 0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.72 3mqg s SER 20 CO 0.00 -1.41 -0.11 -0.13 0.41 0.00 0.00 173.24 172.00 3mqg s ARG 21 N -4.43 1.70 -0.21 12.44 0.52 0.41 -1.34 118.95 128.04 3mqg s ARG 21 Ca 0.62 -0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 3mqg s ARG 21 Cb -0.16 -1.50 0.01 0.00 0.52 0.00 0.00 34.95 33.82 3mqg s ARG 21 CO 0.44 -0.06 -0.09 0.42 0.02 0.00 0.00 175.30 176.03 3mqg s ILE 22 N 0.98 2.87 0.00 1.52 -1.09 0.22 -0.95 121.20 124.75 3mqg s ILE 22 Ca -0.08 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3mqg s ILE 22 Cb -0.15 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 3mqg s ILE 22 CO -0.00 0.41 0.00 0.79 -1.23 0.00 0.00 174.94 174.91 3mqg n TRP 23 N 4.72 -1.12 -2.02 3.97 7.02 -0.26 -0.87 117.44 128.87 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 0.50 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.87 3.02 -1.51 -5.99 3.76 -1.26 -3.48 115.29 110.69 3mqg s HIS 24 Ca 0.00 1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 3mqg s HIS 24 Cb 0.00 -3.80 0.08 0.00 1.11 0.00 0.00 32.58 29.96 3mqg s HIS 24 CO 0.00 -2.56 0.99 0.91 -0.85 0.00 0.00 174.74 173.22 3mqg n TRP 25 N 2.12 -2.32 -3.19 1.40 8.01 -1.25 -1.61 117.44 120.60 3mqg n TRP 25 Ca 0.06 0.91 -0.39 0.00 -1.31 0.00 0.00 57.50 56.77 3mqg n TRP 25 Cb 0.40 -4.06 -0.06 0.00 -2.01 0.00 0.00 31.31 25.58 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 -3.32 4.68 -0.20 -0.99 1.01 -1.23 -3.23 120.40 117.12 3mqg s VAL 26 Ca 0.63 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 3mqg s VAL 26 Cb -0.31 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3mqg s VAL 26 CO 0.82 0.52 -0.10 -2.28 0.00 0.00 0.00 175.10 174.06 3mqg s HIS 27 N -0.95 2.89 -0.18 5.22 2.46 -0.74 -0.33 115.29 123.67 3mqg s HIS 27 Ca 0.31 -1.14 -0.01 0.00 0.47 0.00 0.00 55.06 54.69 3mqg s HIS 27 Cb -0.20 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 3mqg s HIS 27 CO 0.21 -0.60 -0.13 0.42 -2.47 0.00 0.00 174.74 172.17 3mqg s ILE 28 N 1.32 2.77 0.74 0.89 1.01 -0.21 -1.28 121.20 126.44 3mqg s ILE 28 Ca 0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 3mqg s ILE 28 Cb -0.14 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.16 3mqg s ILE 28 CO -0.06 0.49 1.08 0.00 0.00 0.00 0.00 174.94 176.45 3mqg h GLY 30 N -0.87 0.00 2.00 0.00 0.00 -1.78 -2.63 103.07 99.79 3mqg h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mqg h GLY 30 CO 0.59 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.80 3mqg h GLY 31 N 2.50 0.00 -2.82 4.60 0.00 -1.84 -1.76 103.07 103.75 3mqg h GLY 31 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3mqg h GLY 31 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 176.54 177.03 3mqg s ALA 32 N -3.25 3.01 -0.10 3.60 0.00 -0.99 -4.68 121.76 119.35 3mqg s ALA 32 Ca 0.07 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3mqg s ALA 32 Cb 0.10 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3mqg s ALA 32 CO 0.53 -0.65 -0.12 -1.21 0.00 0.00 0.00 175.76 174.31 3mqg s GLU 33 N -2.62 1.88 -0.03 0.00 2.02 -0.89 -1.79 118.70 117.27 3mqg s GLU 33 Ca 0.62 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 55.21 3mqg s GLU 33 Cb -0.29 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.25 3mqg s GLU 33 CO 0.36 -0.12 -0.11 0.42 0.02 0.00 0.00 175.26 175.83 3mqg s ILE 34 N 1.17 0.98 0.00 -1.63 1.01 0.03 -0.77 121.20 122.00 3mqg s ILE 34 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3mqg s ILE 34 Cb -0.14 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3mqg s ILE 34 CO -0.03 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3mqg n GLY 35 N 3.31 -0.42 3.87 6.18 0.00 -0.27 -0.94 105.19 116.91 3mqg n GLY 35 Ca -0.19 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 0.08 3.85 -1.34 1.61 2.02 -1.26 -2.30 118.70 121.35 3mqg s GLU 36 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.36 3mqg s GLU 36 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3mqg s GLU 36 CO 0.00 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.95 3mqg n GLY 37 N -0.25 1.25 3.88 -1.39 0.00 -0.34 -0.37 105.19 107.97 3mqg n GLY 37 Ca 0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 1.53 -0.25 0.00 0.15 -0.55 -0.44 113.70 109.95 3mqg s SER 39 Ca 0.53 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.99 3mqg s SER 39 Cb -0.11 -0.61 0.04 0.00 -1.71 0.00 0.00 66.02 63.63 3mqg s SER 39 CO 0.51 -0.08 -0.09 -0.76 1.20 0.00 0.00 173.24 174.02 3mqg s LEU 40 N 1.26 3.27 0.00 3.45 1.02 -0.12 -0.33 118.68 127.23 3mqg s LEU 40 Ca -0.05 -1.12 -0.14 0.00 0.02 0.00 0.00 54.13 52.84 3mqg s LEU 40 Cb -0.14 -1.60 0.20 0.00 0.02 0.00 0.00 46.19 44.67 3mqg s LEU 40 CO -0.02 -0.16 0.95 0.61 0.02 0.00 0.00 176.35 177.75 3mqg n GLY 41 N 4.56 -2.01 3.65 -3.19 0.00 -0.03 -1.10 105.19 107.07 3mqg n GLY 41 Ca -0.16 -1.60 -0.47 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.62 1.85 -1.31 1.61 7.27 -1.26 -2.05 117.38 119.87 3mqg n GLN 42 Ca 0.12 0.66 -0.11 0.00 0.07 0.00 0.00 57.00 57.75 3mqg n GLN 42 Cb 0.45 -2.34 -0.05 0.00 2.41 0.00 0.00 30.24 30.72 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 2.66 -4.82 -4.75 1.69 5.15 -0.63 -1.50 115.26 113.06 3mqg n ASN 43 Ca 0.15 0.26 -0.37 0.00 -0.60 0.00 0.00 54.58 54.02 3mqg n ASN 43 Cb 0.28 -3.27 0.04 0.00 -0.53 0.00 0.00 39.78 36.31 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 -2.22 2.24 -0.03 3.44 1.01 -0.87 -4.33 120.40 119.64 3mqg s VAL 44 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.22 3mqg s VAL 44 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3mqg s VAL 44 CO 0.00 -0.02 -0.24 0.12 0.00 0.00 0.00 175.10 174.96 3mqg s PHE 45 N -1.40 2.22 -0.07 5.22 5.36 -0.87 -1.78 117.98 126.66 3mqg s PHE 45 Ca 0.75 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 3mqg s PHE 45 Cb -0.37 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.89 3mqg s PHE 45 CO 0.42 -0.08 -0.08 0.08 -1.46 0.00 0.00 175.22 174.10 3mqg s VAL 46 N -0.47 0.87 0.19 3.12 1.01 -0.41 -0.04 120.40 124.67 3mqg s VAL 46 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3mqg s VAL 46 Cb -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.47 3mqg s VAL 46 CO 0.00 0.31 0.25 0.61 0.00 0.00 0.00 175.10 176.27 3mqg n GLY 47 N 4.23 -1.35 0.10 4.51 0.00 -0.14 -0.75 105.19 111.79 3mqg n GLY 47 Ca -0.20 -1.65 -0.18 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 -0.45 0.29 -1.75 1.61 2.35 -1.89 -3.34 115.58 112.40 3mqg h ASN 48 Ca -0.08 -0.95 -0.77 0.00 -0.55 0.00 0.00 56.30 53.95 3mqg h ASN 48 Cb 0.23 -0.09 -0.19 0.00 0.05 0.00 0.00 38.32 38.32 3mqg h ASN 48 CO 0.06 1.28 1.75 -1.14 -1.65 0.00 0.00 177.43 177.73 3mqg n ARG 49 N -4.28 4.35 -3.82 0.81 0.63 -1.26 -3.03 116.66 110.06 3mqg n ARG 49 Ca -0.14 -3.88 -0.15 0.00 -0.92 0.00 0.00 57.85 52.76 3mqg n ARG 49 Cb 0.71 -2.69 -0.16 0.00 0.45 0.00 0.00 32.46 30.78 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 -1.40 -0.00 -0.12 5.15 1.01 -1.26 -0.22 120.40 123.56 3mqg s VAL 50 Ca 0.42 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3mqg s VAL 50 Cb 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.43 3mqg s VAL 50 CO -0.02 0.08 -0.15 -0.13 0.00 0.00 0.00 175.10 174.88 3mqg s ARG 51 N 0.81 2.24 -0.09 2.72 0.52 -1.22 -2.10 118.95 121.82 3mqg s ARG 51 Ca -0.07 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 3mqg s ARG 51 Cb -0.10 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.42 3mqg s ARG 51 CO -0.02 -0.11 -0.23 0.42 0.02 0.00 0.00 175.30 175.38 3mqg s ILE 52 N 1.13 1.97 0.00 1.52 1.01 0.05 -1.26 121.20 125.62 3mqg s ILE 52 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3mqg s ILE 52 Cb -0.14 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3mqg s ILE 52 CO -0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3mqg n GLY 53 N 3.48 0.91 3.88 6.18 0.00 0.09 -1.12 105.19 118.61 3mqg n GLY 53 Ca -0.19 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.00 6.55 -1.17 1.61 0.01 -1.26 -2.22 114.94 117.45 3mqg s ASN 54 Ca 0.00 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 3mqg s ASN 54 Cb 0.00 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.54 3mqg s ASN 54 CO 0.00 0.21 0.18 0.54 -1.51 0.00 0.00 177.10 176.52 3mqg n ARG 55 N 0.94 -2.12 -3.17 -0.60 1.74 0.50 -1.25 116.66 112.70 3mqg n ARG 55 Ca -0.09 0.67 -0.39 0.00 -0.77 0.00 0.00 57.85 57.27 3mqg n ARG 55 Cb 0.52 -4.96 -0.06 0.00 -1.02 0.00 0.00 32.46 26.94 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 -2.83 5.08 -0.30 1.55 1.01 -1.26 -3.66 120.40 119.99 3mqg s VAL 56 Ca 0.09 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 3mqg s VAL 56 Cb -0.04 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3mqg s VAL 56 CO 0.11 0.21 0.13 -0.54 0.00 0.00 0.00 175.10 175.01 3mqg s LYS 57 N 1.29 3.32 -0.27 2.72 1.02 -0.62 -1.48 119.74 125.71 3mqg s LYS 57 Ca 0.29 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 3mqg s LYS 57 Cb -0.16 -3.50 0.05 0.00 -0.52 0.00 0.00 37.83 33.69 3mqg s LYS 57 CO 0.12 -0.40 -0.05 0.42 -0.92 0.00 0.00 175.35 174.52 3mqg s ILE 58 N 1.59 2.72 1.05 2.17 1.01 0.55 -0.22 121.20 130.07 3mqg s ILE 58 Ca 0.04 -1.34 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 3mqg s ILE 58 Cb -0.17 -2.51 0.25 0.00 0.01 0.00 0.00 42.46 40.04 3mqg s ILE 58 CO 0.05 0.01 1.25 0.00 0.00 0.00 0.00 174.94 176.25 3mqg n GLN 59 N 4.59 -1.86 -1.63 2.79 1.13 -0.18 -0.85 117.38 121.37 3mqg n GLN 59 Ca -0.15 -1.94 -0.40 0.00 -1.94 0.00 0.00 57.00 52.57 3mqg n GLN 59 Cb 0.44 -1.44 0.02 0.00 0.11 0.00 0.00 30.24 29.37 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 -4.17 1.31 -1.38 1.08 3.02 -1.26 -3.37 115.26 110.48 3mqg n ASN 60 Ca 0.16 0.97 -0.13 0.00 -0.03 0.00 0.00 54.58 55.55 3mqg n ASN 60 Cb 0.58 -1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.34 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 0.08 -4.17 -4.68 6.41 3.02 -0.56 -0.71 115.26 114.65 3mqg n ASN 61 Ca 0.10 0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 3mqg n ASN 61 Cb 0.42 -3.25 -0.08 0.00 -0.61 0.00 0.00 39.78 36.26 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 -2.62 5.26 -0.37 2.41 1.01 -1.22 -4.34 120.40 120.54 3mqg s VAL 62 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3mqg s VAL 62 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3mqg s VAL 62 CO 0.00 0.30 0.21 -0.44 0.00 0.00 0.00 175.10 175.16 3mqg s SER 63 N 0.96 5.75 -0.80 3.32 0.01 -1.26 -2.06 113.70 119.62 3mqg s SER 63 Ca 0.16 -0.89 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 3mqg s SER 63 Cb -0.14 -2.04 0.13 0.00 0.21 0.00 0.00 66.02 64.18 3mqg s SER 63 CO 0.06 -0.36 0.95 -0.69 0.41 0.00 0.00 173.24 173.62 3mqg s VAL 64 N 1.58 4.84 0.75 3.43 1.01 0.94 -4.09 120.40 128.86 3mqg s VAL 64 Ca 0.03 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 3mqg s VAL 64 Cb -0.19 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.58 3mqg s VAL 64 CO 0.07 -1.34 1.11 -0.31 0.00 0.00 0.00 175.10 174.63 3mqg s TYR 65 N 2.45 3.11 0.18 5.22 2.02 -1.26 -0.97 117.35 128.10 3mqg s TYR 65 Ca 0.24 1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 57.68 3mqg s TYR 65 Cb -0.12 -3.14 -0.17 0.00 -0.40 0.00 0.00 41.96 38.14 3mqg s TYR 65 CO -0.03 -1.46 0.71 -0.25 -1.57 0.00 0.00 175.55 172.94 3mqg n ASP 66 N -3.19 -0.59 0.00 2.29 8.00 -1.26 -2.10 116.55 119.70 3mqg n ASP 66 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3mqg n ASP 66 Cb 0.57 -1.00 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 1.84 -2.87 -4.72 -2.24 4.13 0.70 -4.72 115.26 107.38 3mqg n ASN 67 Ca 0.17 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.08 3mqg n ASN 67 Cb 0.23 -0.48 -0.08 0.00 -1.54 0.00 0.00 39.78 37.91 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 -2.00 5.21 -0.09 2.41 1.01 -0.89 -1.36 120.40 124.69 3mqg s VAL 68 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3mqg s VAL 68 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3mqg s VAL 68 CO 0.00 0.47 -0.10 -0.36 0.00 0.00 0.00 175.10 175.11 3mqg s PHE 69 N 0.17 1.47 -0.22 5.22 0.08 -0.26 -3.39 117.98 121.04 3mqg s PHE 69 Ca 0.07 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 3mqg s PHE 69 Cb -0.11 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 3mqg s PHE 69 CO -0.01 -0.41 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.10 3mqg s LEU 70 N 1.24 2.84 1.19 -0.37 1.43 -0.39 -0.89 118.68 123.73 3mqg s LEU 70 Ca -0.04 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 3mqg s LEU 70 Cb -0.14 -1.62 0.29 0.00 0.03 0.00 0.00 46.19 44.75 3mqg s LEU 70 CO -0.03 -0.07 1.17 -1.61 0.23 0.00 0.00 176.35 176.04 3mqg s GLU 71 N 1.34 -1.18 0.58 1.70 2.02 0.13 -0.74 118.70 122.55 3mqg s GLU 71 Ca 0.02 -0.29 -0.20 0.00 0.02 0.00 0.00 54.97 54.52 3mqg s GLU 71 Cb -0.15 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 3mqg s GLU 71 CO -0.07 -3.64 1.26 -0.25 0.02 0.00 0.00 175.26 172.59 3mqg n ASP 72 N -4.66 2.16 -0.68 -0.19 8.00 -1.26 -3.25 116.55 116.67 3mqg n ASP 72 Ca 0.16 0.92 -0.09 0.00 0.71 0.00 0.00 54.79 56.48 3mqg n ASP 72 Cb 0.60 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.13 3mqg n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mqg n ASP 73 N -1.12 -4.81 -4.77 -2.24 8.00 -0.38 -1.94 116.55 109.29 3mqg n ASP 73 Ca 0.12 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.46 3mqg n ASP 73 Cb 0.46 -3.09 -0.02 0.00 -0.02 0.00 0.00 41.12 38.45 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 -2.08 3.20 -0.18 2.53 1.01 -1.20 -3.57 120.40 120.11 3mqg s VAL 74 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 3mqg s VAL 74 Cb 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3mqg s VAL 74 CO 0.00 0.12 -0.12 0.12 0.00 0.00 0.00 175.10 175.22 3mqg s PHE 75 N -1.38 2.85 -0.33 5.22 5.36 -0.31 -1.59 117.98 127.80 3mqg s PHE 75 Ca 0.55 -1.01 -0.05 0.00 -0.96 0.00 0.00 56.93 55.46 3mqg s PHE 75 Cb -0.31 -1.96 0.05 0.00 -0.34 0.00 0.00 43.02 40.46 3mqg s PHE 75 CO 0.39 -0.49 0.08 0.00 -1.46 0.00 0.00 175.22 173.74 3mqg s GLY 77 N 1.39 1.56 -0.04 0.00 0.00 0.62 -1.01 107.32 109.83 3mqg s GLY 77 Ca -0.02 -0.43 -0.37 0.00 0.00 0.00 0.00 44.72 43.89 3mqg s GLY 77 CO 0.01 0.19 1.52 -1.05 0.00 0.00 0.00 173.10 173.77 3mqg n PRO 78 N -4.13 1.29 -1.85 2.90 -0.02 -1.26 -1.74 135.00 130.18 3mqg n PRO 78 Ca 0.05 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.80 3mqg n PRO 78 Cb 0.58 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 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 3.77 -5.40 -4.78 2.55 7.64 0.11 -0.87 113.62 116.63 3mqg n SER 79 Ca 0.21 0.33 -0.31 0.00 1.01 0.00 0.00 58.87 60.11 3mqg n SER 79 Cb 0.18 -4.69 0.08 0.00 -1.01 0.00 0.00 64.21 58.77 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 -4.14 2.46 -0.09 1.43 0.23 -0.71 -3.80 119.30 114.68 3mqg s MET 80 Ca 0.00 1.17 0.00 0.00 -1.03 0.00 0.00 55.69 55.83 3mqg s MET 80 Cb 0.00 -1.92 0.02 0.00 -1.53 0.00 0.00 34.83 31.40 3mqg s MET 80 CO 0.00 -1.48 -0.08 0.08 -2.03 0.00 0.00 175.02 171.50 3mqg s VAL 81 N -2.83 0.96 0.34 5.16 1.01 0.08 -4.37 120.40 120.76 3mqg s VAL 81 Ca 0.62 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3mqg s VAL 81 Cb -0.17 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3mqg s VAL 81 CO 0.53 0.34 0.53 -0.36 0.00 0.00 0.00 175.10 176.14 3mqg s PHE 82 N 1.35 3.44 0.10 5.22 0.08 -1.26 -0.97 117.98 125.95 3mqg s PHE 82 Ca -0.02 0.25 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 3mqg s PHE 82 Cb -0.14 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3mqg s PHE 82 CO -0.04 0.11 0.02 0.95 -0.10 0.00 0.00 175.22 176.16 3mqg s THR 83 N -2.29 0.22 0.00 0.64 -4.23 -1.20 -4.88 115.64 103.90 3mqg s THR 83 Ca 0.40 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3mqg s THR 83 Cb -0.10 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3mqg s THR 83 CO 0.35 -0.67 0.03 -0.46 -0.54 0.00 0.00 174.62 173.32 3mqg n ASN 84 N -0.03 0.05 -4.25 3.99 0.23 -1.26 -4.26 115.26 109.72 3mqg n ASN 84 Ca -0.09 -0.36 -0.33 0.00 -0.53 0.00 0.00 54.58 53.28 3mqg n ASN 84 Cb 0.63 0.13 -0.16 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.13 2.42 0.02 3.53 1.01 -1.26 -1.37 120.40 124.62 3mqg s VAL 85 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 3mqg s VAL 85 Cb 0.00 -1.98 -0.21 0.00 0.00 0.00 0.00 36.38 34.19 3mqg s VAL 85 CO 0.00 0.54 1.15 0.22 0.00 0.00 0.00 175.10 177.01 3mqg h TYR 86 N 6.97 0.64 -2.11 5.22 5.03 -1.91 -3.39 116.97 127.42 3mqg h TYR 86 Ca -0.26 -0.32 -0.56 0.00 2.58 0.00 0.00 58.73 60.17 3mqg h TYR 86 Cb 1.21 -0.08 -0.41 0.00 1.55 0.00 0.00 36.73 39.00 3mqg h TYR 86 CO 0.49 1.12 -0.88 0.27 -1.32 0.00 0.00 178.16 177.83 3mqg n ASN 87 N -4.23 2.21 -4.77 -2.11 6.94 -1.26 -5.02 115.26 107.02 3mqg n ASN 87 Ca -0.09 -3.17 -0.40 0.00 -0.02 0.00 0.00 54.58 50.90 3mqg n ASN 87 Cb 0.64 -0.63 -0.01 0.00 -2.36 0.00 0.00 39.78 37.42 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 -2.27 4.06 -0.03 -0.53 0.04 -1.26 -5.03 135.00 129.98 3mqg s PRO 88 Ca 0.40 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.64 3mqg s PRO 88 Cb 0.22 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3mqg s PRO 88 CO -0.08 -0.43 -0.02 1.03 0.04 0.00 0.00 177.00 177.54 3mqg s ARG 89 N -2.14 0.49 0.44 4.56 1.81 -1.26 -5.05 118.95 117.80 3mqg s ARG 89 Ca 0.55 -0.01 0.13 0.00 -1.72 0.00 0.00 55.73 54.68 3mqg s ARG 89 Cb -0.39 -0.59 1.03 0.00 -0.45 0.00 0.00 34.95 34.55 3mqg s ARG 89 CO 0.50 -0.09 2.00 0.00 -0.68 0.00 0.00 175.30 177.03 3mqg h ALA 90 N 7.10 1.99 -0.00 2.13 0.00 -2.04 -1.92 119.26 126.52 3mqg h ALA 90 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mqg h ALA 90 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3mqg h ALA 90 CO 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.62 3mqg n ALA 91 N -2.52 2.36 -4.01 0.00 0.00 -1.26 -4.71 120.51 110.36 3mqg n ALA 91 Ca 0.08 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3mqg n ALA 91 Cb 0.32 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.94 1.88 0.10 0.00 1.01 -0.72 -5.10 121.20 115.43 3mqg s ILE 92 Ca 0.16 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 3mqg s ILE 92 Cb 0.19 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.54 3mqg s ILE 92 CO 0.52 -0.05 1.21 -0.70 0.00 0.00 0.00 174.94 175.92 3mqg s GLU 93 N 1.24 4.45 -0.14 2.79 2.12 -1.26 -4.52 118.70 123.37 3mqg s GLU 93 Ca -0.07 1.82 0.15 0.00 0.36 0.00 0.00 54.97 57.22 3mqg s GLU 93 Cb -0.19 -3.31 0.33 0.00 0.26 0.00 0.00 34.13 31.22 3mqg s GLU 93 CO -0.06 -0.21 1.16 0.54 -0.54 0.00 0.00 175.26 176.16 3mqg n ARG 94 N 3.47 1.16 -0.30 4.30 1.74 -1.26 -4.73 116.66 121.05 3mqg n ARG 94 Ca 0.08 -2.66 0.13 0.00 -0.77 0.00 0.00 57.85 54.63 3mqg n ARG 94 Cb 0.46 -1.32 0.30 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.48 0.27 0.00 5.56 1.79 -1.98 0.32 116.57 123.01 3mqg h LYS 95 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3mqg h LYS 95 Cb 1.12 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3mqg h LYS 95 CO 0.01 0.18 0.00 -1.13 -1.08 0.00 0.00 179.45 177.43 3mqg n SER 96 N -5.16 0.00 -0.28 0.86 3.41 -1.26 -3.05 113.62 108.14 3mqg n SER 96 Ca 0.22 -0.51 0.04 0.00 -0.26 0.00 0.00 58.87 58.35 3mqg n SER 96 Cb 0.67 -0.15 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 3mqg n SER 96 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mqg n GLU 97 N -1.15 2.73 -1.58 4.33 1.02 0.09 -5.04 120.64 121.05 3mqg n GLU 97 Ca 0.18 -1.93 -0.43 0.00 -0.02 0.00 0.00 57.16 54.97 3mqg n GLU 97 Cb 0.17 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.31 0.92 -4.60 -0.32 4.01 -1.15 -4.79 117.16 110.92 3mqg n TYR 98 Ca 0.07 0.62 -0.34 0.00 -0.16 0.00 0.00 57.90 58.10 3mqg n TYR 98 Cb 0.41 -2.19 -0.11 0.00 -0.31 0.00 0.00 39.34 37.14 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 -1.78 2.75 0.49 -0.72 0.52 -0.47 -5.04 118.95 114.71 3mqg s ARG 99 Ca 0.62 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 55.07 3mqg s ARG 99 Cb -0.62 -2.60 -0.08 0.00 0.52 0.00 0.00 34.95 32.18 3mqg s ARG 99 CO 0.58 0.66 1.08 -0.51 0.02 0.00 0.00 175.30 177.14 3mqg s ASP 100 N -0.85 6.18 -0.14 0.23 -0.00 -1.26 -4.20 116.67 116.62 3mqg s ASP 100 Ca 0.13 2.06 0.01 0.00 -0.00 0.00 0.00 52.55 54.75 3mqg s ASP 100 Cb -0.11 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.26 3mqg s ASP 100 CO 0.02 -0.90 -0.15 -0.89 -0.00 0.00 0.00 175.17 173.25 3mqg s THR 101 N -1.82 1.57 -0.15 -1.27 2.01 -0.46 -0.72 115.64 114.79 3mqg s THR 101 Ca 0.67 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.04 3mqg s THR 101 Cb -0.21 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3mqg s THR 101 CO 0.25 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.83 3mqg s ILE 102 N 1.37 2.49 -0.25 1.82 1.01 -1.08 -1.11 121.20 125.46 3mqg s ILE 102 Ca 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3mqg s ILE 102 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3mqg s ILE 102 CO -0.09 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 3mqg s VAL 103 N 0.82 2.95 0.66 2.92 1.01 -0.07 -0.48 120.40 128.20 3mqg s VAL 103 Ca -0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 3mqg s VAL 103 Cb -0.15 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3mqg s VAL 103 CO -0.01 0.23 1.00 -0.13 0.00 0.00 0.00 175.10 176.19 3mqg s ARG 104 N 1.35 2.74 0.09 2.72 1.81 0.40 -0.70 118.95 127.36 3mqg s ARG 104 Ca 0.01 0.13 -0.37 0.00 -1.72 0.00 0.00 55.73 53.78 3mqg s ARG 104 Cb -0.16 -2.15 -0.17 0.00 -0.45 0.00 0.00 34.95 32.02 3mqg s ARG 104 CO -0.04 -0.94 1.35 0.94 -0.68 0.00 0.00 175.30 175.93 3mqg n GLN 105 N -2.82 1.20 -0.73 3.54 7.27 -1.26 -1.96 117.38 122.62 3mqg n GLN 105 Ca 0.06 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3mqg n GLN 105 Cb 0.58 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.15 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 2.56 1.51 3.76 1.69 0.00 -0.82 -0.76 105.19 113.13 3mqg n GLY 106 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.70 2.97 -0.18 4.61 0.00 -0.83 -4.03 121.76 120.60 3mqg s ALA 107 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 3mqg s ALA 107 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3mqg s ALA 107 CO 0.00 -1.19 -0.10 0.99 0.00 0.00 0.00 175.76 175.46 3mqg s THR 108 N -1.31 3.09 -0.45 0.00 2.01 -0.27 -1.16 115.64 117.56 3mqg s THR 108 Ca 0.67 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 3mqg s THR 108 Cb -0.39 -2.35 0.09 0.00 0.01 0.00 0.00 72.50 69.86 3mqg s THR 108 CO 0.48 0.48 0.32 -0.76 -0.69 0.00 0.00 174.62 174.45 3mqg s LEU 109 N 1.02 5.47 0.87 4.42 1.43 0.19 -0.90 118.68 131.17 3mqg s LEU 109 Ca -0.01 -1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 51.34 3mqg s LEU 109 Cb -0.15 -2.04 0.09 0.00 0.03 0.00 0.00 46.19 44.13 3mqg s LEU 109 CO -0.01 -0.63 1.01 0.61 0.23 0.00 0.00 176.35 177.56 3mqg n GLY 110 N 4.98 -0.58 3.56 -3.19 0.00 0.78 -0.28 105.19 110.46 3mqg n GLY 110 Ca -0.10 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.80 3mqg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg n ALA 111 N -3.62 -1.44 -1.47 4.61 0.00 -1.26 -1.71 120.51 115.61 3mqg n ALA 111 Ca 0.12 0.51 -0.16 0.00 0.00 0.00 0.00 53.44 53.91 3mqg n ALA 111 Cb 0.51 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 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 2.16 -5.14 -4.80 0.00 5.15 -0.05 -0.57 115.26 112.01 3mqg n ASN 112 Ca 0.18 0.40 -0.29 0.00 -0.60 0.00 0.00 54.58 54.26 3mqg n ASN 112 Cb 0.19 -4.05 0.12 0.00 -0.53 0.00 0.00 39.78 35.50 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 -3.25 0.46 -0.23 0.00 2.01 0.05 -0.74 115.64 113.94 3mqg s THR 114 Ca 0.63 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.20 3mqg s THR 114 Cb -0.14 -0.43 0.05 0.00 0.01 0.00 0.00 72.50 71.99 3mqg s THR 114 CO 0.53 -0.00 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 3mqg s VAL 115 N -0.44 1.95 0.15 3.82 1.01 -0.14 -0.56 120.40 126.19 3mqg s VAL 115 Ca -0.01 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 3mqg s VAL 115 Cb -0.04 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 3mqg s VAL 115 CO -0.00 0.08 1.31 -0.69 0.00 0.00 0.00 175.10 175.80 3mqg s VAL 116 N 1.23 3.39 0.57 2.92 1.01 0.41 -3.27 120.40 126.66 3mqg s VAL 116 Ca -0.05 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 3mqg s VAL 116 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3mqg s VAL 116 CO -0.07 0.12 1.29 0.00 0.00 0.00 0.00 175.10 176.44 3mqg n GLY 118 N 0.86 2.92 3.80 0.00 0.00 0.10 -4.91 105.19 107.96 3mqg n GLY 118 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.70 3.13 -0.12 4.61 0.00 -1.19 -4.89 121.76 120.60 3mqg s ALA 119 Ca 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 3mqg s ALA 119 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 3mqg s ALA 119 CO 0.00 0.12 -0.02 0.99 0.00 0.00 0.00 175.76 176.85 3mqg s THR 120 N -1.83 4.09 -0.25 0.00 2.01 -1.26 -2.64 115.64 115.75 3mqg s THR 120 Ca 0.55 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 3mqg s THR 120 Cb -0.15 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 3mqg s THR 120 CO 0.20 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 174.08 3mqg s ILE 121 N -0.18 3.92 0.91 1.82 1.01 0.36 -0.96 121.20 128.08 3mqg s ILE 121 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 3mqg s ILE 121 Cb -0.13 -2.88 0.14 0.00 0.01 0.00 0.00 42.46 39.60 3mqg s ILE 121 CO 0.02 0.28 1.14 -0.83 0.00 0.00 0.00 174.94 175.56 3mqg s GLY 122 N 1.54 1.58 0.11 6.18 0.00 0.34 -0.46 107.32 116.61 3mqg s GLY 122 Ca 0.05 -0.55 -0.34 0.00 0.00 0.00 0.00 44.72 43.88 3mqg s GLY 122 CO 0.01 0.01 1.66 0.54 0.00 0.00 0.00 173.10 175.33 3mqg n ARG 123 N -3.75 2.23 -1.47 2.90 1.74 -1.26 -1.76 116.66 115.29 3mqg n ARG 123 Ca 0.07 0.81 -0.16 0.00 -0.77 0.00 0.00 57.85 57.79 3mqg n ARG 123 Cb 0.59 -2.60 -0.07 0.00 -1.02 0.00 0.00 32.46 29.36 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 4.26 0.00 -0.70 -1.55 4.01 0.06 -0.83 117.16 122.41 3mqg n TYR 124 Ca 0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.62 3mqg n TYR 124 Cb 0.30 -3.09 0.19 0.00 -0.31 0.00 0.00 39.34 36.43 3mqg n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqg s ALA 125 N -2.39 0.74 -0.13 -0.72 0.00 -0.72 -3.77 121.76 114.76 3mqg s ALA 125 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 3mqg s ALA 125 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.82 3mqg s ALA 125 CO 0.00 -3.12 0.06 0.12 0.00 0.00 0.00 175.76 172.82 3mqg s PHE 126 N -2.61 0.44 -0.34 0.00 5.36 0.37 -1.11 117.98 120.09 3mqg s PHE 126 Ca 0.67 -0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 56.18 3mqg s PHE 126 Cb -0.23 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.69 3mqg s PHE 126 CO 0.60 -0.44 0.39 0.08 -1.46 0.00 0.00 175.22 174.40 3mqg s VAL 127 N 2.05 5.14 0.84 3.12 1.01 -0.07 -1.57 120.40 130.91 3mqg s VAL 127 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 3mqg s VAL 127 Cb -0.15 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.48 3mqg s VAL 127 CO -0.07 -0.12 1.19 -0.83 0.00 0.00 0.00 175.10 175.28 3mqg s GLY 128 N 1.74 2.04 0.21 4.51 0.00 0.35 -0.16 107.32 116.01 3mqg s GLY 128 Ca 0.13 0.79 -0.32 0.00 0.00 0.00 0.00 44.72 45.32 3mqg s GLY 128 CO 0.12 1.21 1.29 0.00 0.00 0.00 0.00 173.10 175.71 3mqg n ALA 129 N -3.55 0.20 -0.55 3.20 0.00 -1.26 -1.80 120.51 116.76 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 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 2.08 1.63 3.75 0.00 0.00 0.27 -4.83 105.19 108.08 3mqg n GLY 130 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.28 2.24 -0.35 4.61 0.00 -0.74 -4.72 121.76 119.52 3mqg s ALA 131 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 3mqg s ALA 131 Cb 0.00 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.84 3mqg s ALA 131 CO 0.00 -1.67 0.08 0.08 0.00 0.00 0.00 175.76 174.25 3mqg s VAL 132 N -2.38 2.97 -0.20 0.00 1.01 -0.54 -0.77 120.40 120.50 3mqg s VAL 132 Ca 0.68 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3mqg s VAL 132 Cb -0.22 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3mqg s VAL 132 CO 0.47 -0.40 0.79 -0.69 0.00 0.00 0.00 175.10 175.28 3mqg s VAL 133 N 1.16 4.89 -0.05 2.92 1.01 0.28 -0.25 120.40 130.35 3mqg s VAL 133 Ca 0.02 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.61 3mqg s VAL 133 Cb -0.21 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 32.21 3mqg s VAL 133 CO -0.03 0.01 1.07 -0.46 0.00 0.00 0.00 175.10 175.68 3mqg n ASN 134 N 5.48 0.84 -3.97 3.32 6.94 -1.26 -0.44 115.26 126.16 3mqg n ASN 134 Ca 0.04 -2.40 -0.10 0.00 -0.02 0.00 0.00 54.58 52.10 3mqg n ASN 134 Cb 0.48 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 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 -0.98 1.29 0.55 -3.83 -2.85 -1.26 -4.98 119.74 107.68 3mqg s LYS 135 Ca 0.13 -1.21 -0.21 0.00 -1.00 0.00 0.00 55.97 53.68 3mqg s LYS 135 Cb 0.13 0.40 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 3mqg s LYS 135 CO -0.01 -0.49 1.19 -0.25 0.10 0.00 0.00 175.35 175.89 3mqg n ASP 136 N -0.28 1.89 -4.27 0.03 8.00 -1.26 -4.72 116.55 115.94 3mqg n ASP 136 Ca -0.05 0.92 -0.35 0.00 0.71 0.00 0.00 54.79 56.02 3mqg n ASP 136 Cb 0.63 -1.49 -0.14 0.00 -0.02 0.00 0.00 41.12 40.10 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 -1.36 3.23 0.80 2.53 1.01 -0.14 -4.97 120.40 121.50 3mqg s VAL 137 Ca 0.73 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 3mqg s VAL 137 Cb -0.43 -2.53 0.08 0.00 0.00 0.00 0.00 36.38 33.49 3mqg s VAL 137 CO 0.49 0.33 1.21 -2.84 0.00 0.00 0.00 175.10 174.29 3mqg s PRO 138 N 1.43 1.68 0.17 2.72 0.02 -1.26 -0.51 135.00 139.25 3mqg s PRO 138 Ca 0.04 1.76 -0.33 0.00 0.02 0.00 0.00 61.00 62.49 3mqg s PRO 138 Cb -0.15 -1.78 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 3mqg s PRO 138 CO -0.04 -2.18 1.16 -0.25 -0.33 0.00 0.00 177.00 175.36 3mqg n ASP 139 N -3.24 1.33 0.00 2.53 8.00 -1.26 -1.66 116.55 122.24 3mqg n ASP 139 Ca 0.14 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3mqg n ASP 139 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 1.48 0.00 -2.41 1.24 3.01 -0.01 -4.55 117.46 116.22 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 0.24 -0.66 -0.04 0.00 -0.01 0.00 0.00 39.48 39.02 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 -2.64 3.42 -0.27 4.37 0.00 -0.67 0.00 121.76 125.98 3mqg s ALA 141 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3mqg s ALA 141 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3mqg s ALA 141 CO 0.00 -0.31 0.34 -1.17 0.00 0.00 0.00 175.76 174.63 3mqg s LEU 142 N -0.51 4.03 0.01 0.00 2.96 -0.39 -0.48 118.68 124.30 3mqg s LEU 142 Ca 0.51 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3mqg s LEU 142 Cb -0.32 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3mqg s LEU 142 CO 0.37 -0.16 -0.19 0.68 -1.32 0.00 0.00 176.35 175.73 3mqg s VAL 143 N 2.02 1.53 0.06 1.68 -7.23 -0.61 -0.96 120.40 116.89 3mqg s VAL 143 Ca 0.14 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 3mqg s VAL 143 Cb -0.16 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3mqg s VAL 143 CO 0.10 0.34 0.07 0.68 -0.31 0.00 0.00 175.10 175.98 3mqg s VAL 144 N -0.57 0.18 0.00 1.32 -7.23 -0.56 -0.49 120.40 113.04 3mqg s VAL 144 Ca 0.07 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3mqg s VAL 144 Cb -0.08 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3mqg s VAL 144 CO 0.00 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.60 3mqg n GLY 145 N 0.19 1.52 3.04 2.32 0.00 -1.26 -0.88 105.19 110.12 3mqg n GLY 145 Ca -0.15 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.97 2.49 0.87 1.61 1.01 -1.26 -1.46 120.40 121.68 3mqg s VAL 146 Ca 0.00 -2.25 -0.12 0.00 0.00 0.00 0.00 61.98 59.61 3mqg s VAL 146 Cb 0.00 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.70 3mqg s VAL 146 CO 0.00 -0.59 1.13 -2.16 0.00 0.00 0.00 175.10 173.48 3mqg s PRO 147 N 0.96 1.52 0.25 2.72 0.04 -1.26 -5.01 135.00 134.22 3mqg s PRO 147 Ca 0.10 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 3mqg s PRO 147 Cb -0.20 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3mqg s PRO 147 CO -0.07 -1.95 1.14 0.00 0.04 0.00 0.00 177.00 176.16 3mqg s ALA 148 N -3.28 3.42 0.09 8.56 0.00 0.65 -4.83 121.76 126.37 3mqg s ALA 148 Ca 0.63 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.59 3mqg s ALA 148 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3mqg s ALA 148 CO 0.53 -0.26 -0.18 1.03 0.00 0.00 0.00 175.76 176.88 3mqg s ARG 149 N -1.07 0.98 -0.07 0.00 1.81 -0.06 -4.85 118.95 115.68 3mqg s ARG 149 Ca 0.47 -1.05 -0.29 0.00 -1.72 0.00 0.00 55.73 53.15 3mqg s ARG 149 Cb -0.33 -1.11 -0.02 0.00 -0.45 0.00 0.00 34.95 33.04 3mqg s ARG 149 CO 0.40 0.25 0.96 -1.14 -0.68 0.00 0.00 175.30 175.10 3mqg s GLN 150 N -1.80 4.46 0.00 3.54 0.74 -1.26 -1.49 119.66 123.85 3mqg s GLN 150 Ca 0.02 1.33 0.06 0.00 0.05 0.00 0.00 55.36 56.82 3mqg s GLN 150 Cb -0.10 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 3mqg s GLN 150 CO 0.03 -0.20 0.29 0.44 -0.55 0.00 0.00 175.29 175.31 3mqg n ILE 151 N 4.29 0.00 -2.92 -2.34 -5.35 -0.14 -4.99 119.36 107.91 3mqg n ILE 151 Ca 0.07 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3mqg n ILE 151 Cb 0.50 1.01 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 1.05 1.10 3.08 3.28 0.00 -1.17 -5.02 105.19 107.52 3mqg n GLY 152 Ca 0.01 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 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 0.93 -0.12 1.61 0.52 -1.26 -1.26 118.94 117.02 3mqg s TRP 153 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.83 3mqg s TRP 153 Cb 0.00 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.75 3mqg s TRP 153 CO 0.00 -0.01 -0.19 -1.64 0.02 0.00 0.00 176.95 175.14 3mqg s MET 154 N -0.92 3.20 0.93 4.98 -1.94 0.10 -0.61 119.30 125.04 3mqg s MET 154 Ca -0.01 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 53.07 3mqg s MET 154 Cb -0.07 -2.47 0.15 0.00 2.01 0.00 0.00 34.83 34.46 3mqg s MET 154 CO 0.01 0.18 1.09 -1.54 -0.01 0.00 0.00 175.02 174.74 3mqg s SER 155 N 0.39 3.03 0.30 3.03 1.04 -0.03 -4.70 113.70 116.75 3mqg s SER 155 Ca -0.14 1.66 0.04 0.00 0.48 0.00 0.00 55.95 57.99 3mqg s SER 155 Cb -0.17 -2.30 0.69 0.00 0.10 0.00 0.00 66.02 64.34 3mqg s SER 155 CO 0.07 -2.94 1.79 0.03 0.98 0.00 0.00 173.24 173.16 3mqg h ARG 156 N -1.76 0.78 0.00 4.02 3.08 -1.90 -0.72 114.38 117.89 3mqg h ARG 156 Ca -0.50 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 3mqg h ARG 156 Cb 1.28 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3mqg h ARG 156 CO 0.51 0.52 -0.16 1.25 -1.07 0.00 0.00 179.97 181.01 3mqg h HIS 157 N 0.80 0.00 0.00 3.04 2.76 -1.99 -3.47 115.15 116.29 3mqg h HIS 157 Ca 0.56 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 3mqg h HIS 157 Cb 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.76 3mqg h HIS 157 CO -0.01 0.16 0.00 0.41 -1.30 0.00 0.00 177.93 177.19 3mqg n GLY 158 N -0.52 1.81 3.22 5.26 0.00 -0.28 -5.13 105.19 109.55 3mqg n GLY 158 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.51 0.96 0.38 1.61 2.02 -1.26 -4.89 118.70 117.01 3mqg s GLU 159 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 3mqg s GLU 159 Cb 0.00 -1.07 -0.10 0.00 0.10 0.00 0.00 34.13 33.05 3mqg s GLU 159 CO 0.00 0.25 1.42 -0.65 0.02 0.00 0.00 175.26 176.30 3mqg s GLN 160 N -1.76 4.07 -0.00 1.61 -0.21 -1.26 -0.85 119.66 121.25 3mqg s GLN 160 Ca 0.02 2.44 -0.13 0.00 0.02 0.00 0.00 55.36 57.70 3mqg s GLN 160 Cb -0.10 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 3mqg s GLN 160 CO 0.03 -0.51 0.37 -0.51 -2.12 0.00 0.00 175.29 172.55 3mqg s LEU 161 N -2.18 4.44 -1.38 2.90 1.43 0.22 -4.71 118.68 119.40 3mqg s LEU 161 Ca 0.54 0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 3mqg s LEU 161 Cb -0.44 -2.59 0.06 0.00 0.03 0.00 0.00 46.19 43.25 3mqg s LEU 161 CO 0.59 0.31 2.00 -0.67 0.23 0.00 0.00 176.35 178.81 3mqg n ASP 162 N 1.68 4.38 -3.80 2.29 4.64 -1.26 -4.58 116.55 119.90 3mqg n ASP 162 Ca -0.14 -2.89 -0.14 0.00 -1.38 0.00 0.00 54.79 50.25 3mqg n ASP 162 Cb 0.53 -1.68 -0.15 0.00 -1.04 0.00 0.00 41.12 38.78 3mqg n ASP 162 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mqg s LEU 163 N 2.87 1.27 0.84 -2.67 1.43 -1.26 -4.75 118.68 116.41 3mqg s LEU 163 Ca 0.49 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 3mqg s LEU 163 Cb 0.09 0.13 0.10 0.00 0.03 0.00 0.00 46.19 46.54 3mqg s LEU 163 CO -0.02 -0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.41 3mqg s PRO 164 N 0.70 1.72 0.27 1.29 0.04 -1.26 -4.77 135.00 132.99 3mqg s PRO 164 Ca -0.06 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.14 3mqg s PRO 164 Cb -0.08 -1.84 0.37 0.00 0.04 0.00 0.00 34.50 33.00 3mqg s PRO 164 CO -0.03 -2.00 1.67 -0.07 0.04 0.00 0.00 177.00 176.61 3mqg h LEU 165 N -1.39 0.42 -9.16 -3.56 3.38 -1.96 -3.46 115.31 99.57 3mqg h LEU 165 Ca -0.46 -0.17 -0.57 0.00 0.09 0.00 0.00 57.88 56.78 3mqg h LEU 165 Cb 1.25 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 3mqg h LEU 165 CO 0.51 0.75 -0.74 -0.13 0.09 0.00 0.00 178.44 178.92 3mqg s ARG 166 N -4.27 1.61 1.95 1.13 0.52 -1.26 -4.54 118.95 114.09 3mqg s ARG 166 Ca -0.06 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.40 3mqg s ARG 166 Cb 0.13 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 34.02 3mqg s ARG 166 CO 0.79 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.78 3mqg n GLY 167 N -0.59 -0.24 3.24 -3.53 0.00 -1.26 -4.72 105.19 98.10 3mqg n GLY 167 Ca -0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 2.77 0.12 1.61 0.01 -1.26 -1.15 114.94 113.04 3mqg s ASN 168 Ca 0.00 -0.45 -0.26 0.00 -0.71 0.00 0.00 52.86 51.45 3mqg s ASN 168 Cb 0.00 -0.57 0.08 0.00 0.41 0.00 0.00 41.25 41.17 3mqg s ASN 168 CO 0.00 0.25 1.07 0.00 -1.51 0.00 0.00 177.10 176.91 3mqg s ALA 169 N -0.29 -1.81 0.03 0.60 0.00 -0.64 -4.99 121.76 114.66 3mqg s ALA 169 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3mqg s ALA 169 Cb -0.11 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3mqg s ALA 169 CO 0.01 -1.06 -0.04 -1.21 0.00 0.00 0.00 175.76 173.47 3mqg s GLU 170 N -2.72 0.44 0.21 0.00 2.02 -1.26 -0.22 118.70 117.17 3mqg s GLU 170 Ca 0.16 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 3mqg s GLU 170 Cb -0.00 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.32 3mqg s GLU 170 CO 0.02 -0.05 0.53 0.00 0.02 0.00 0.00 175.26 175.77 3mqg s ALA 171 N -2.23 -0.83 0.14 5.21 0.00 -0.73 -4.91 121.76 118.41 3mqg s ALA 171 Ca -0.08 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.64 3mqg s ALA 171 Cb -0.04 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 3mqg s ALA 171 CO -0.03 -0.83 -0.23 0.95 0.00 0.00 0.00 175.76 175.61 3mqg s THR 172 N -3.90 2.47 0.13 0.00 -4.23 -1.26 -0.54 115.64 108.30 3mqg s THR 172 Ca 0.11 -1.74 -0.31 0.00 -1.18 0.00 0.00 61.69 58.57 3mqg s THR 172 Cb -0.01 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 3mqg s THR 172 CO -0.00 0.05 1.69 0.00 -0.54 0.00 0.00 174.62 175.81 3mqg h PRO 174 N 7.78 0.00 0.01 0.00 0.13 -1.90 0.11 132.00 138.13 3mqg h PRO 174 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.42 3mqg h PRO 174 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3mqg h PRO 174 CO 0.94 0.01 -1.48 1.58 -0.23 0.00 0.00 178.00 178.81 3mqg n HIS 175 N -3.47 0.94 0.36 1.56 -0.00 -1.26 -4.65 115.22 108.70 3mqg n HIS 175 Ca -0.03 0.37 0.10 0.00 -0.00 0.00 0.00 57.72 58.16 3mqg n HIS 175 Cb 0.10 -1.10 -0.14 0.00 -0.00 0.00 0.00 29.99 28.85 3mqg n HIS 175 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3mqg n THR 176 N -4.29 0.00 -0.74 3.57 -2.24 -1.22 -4.97 114.28 104.39 3mqg n THR 176 Ca -0.34 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3mqg n THR 176 Cb 0.75 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.40 1.14 3.77 3.38 0.00 0.02 -4.96 105.19 109.93 3mqg n GLY 177 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3mqg n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mqg s GLU 178 N -0.14 3.78 0.06 1.61 -1.05 -1.26 -4.34 118.70 117.35 3mqg s GLU 178 Ca 0.00 2.01 -0.12 0.00 -0.15 0.00 0.00 54.97 56.71 3mqg s GLU 178 Cb 0.00 -2.56 -0.06 0.00 -0.44 0.00 0.00 34.13 31.07 3mqg s GLU 178 CO 0.00 -0.61 0.43 0.50 0.95 0.00 0.00 175.26 176.53 3mqg s ARG 179 N -2.50 3.85 0.04 -4.83 3.52 -1.26 -0.74 118.95 117.03 3mqg s ARG 179 Ca 0.61 0.31 0.09 0.00 -0.13 0.00 0.00 55.73 56.61 3mqg s ARG 179 Cb -0.35 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3mqg s ARG 179 CO 0.43 0.59 -0.26 0.71 -0.81 0.00 0.00 175.30 175.97 3mqg s TYR 180 N -1.29 2.26 -0.13 5.12 1.51 0.29 -1.15 117.35 123.95 3mqg s TYR 180 Ca 0.30 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 3mqg s TYR 180 Cb -0.15 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 3mqg s TYR 180 CO 0.17 0.10 -0.14 0.42 -1.11 0.00 0.00 175.55 174.99 3mqg s ILE 181 N -0.78 2.93 -0.18 2.71 1.01 0.26 -1.78 121.20 125.37 3mqg s ILE 181 Ca 0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3mqg s ILE 181 Cb -0.10 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3mqg s ILE 181 CO 0.02 0.52 0.05 -0.22 0.00 0.00 0.00 174.94 175.31 3mqg s LEU 182 N 0.45 3.71 -0.11 2.97 2.96 0.69 -0.84 118.68 128.51 3mqg s LEU 182 Ca -0.10 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3mqg s LEU 182 Cb -0.16 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.63 3mqg s LEU 182 CO 0.05 0.16 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.33 3mqg s THR 183 N 0.45 0.64 -1.49 3.68 2.01 -0.36 -1.62 115.64 118.96 3mqg s THR 183 Ca 0.02 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 3mqg s THR 183 Cb -0.13 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.60 3mqg s THR 183 CO 0.01 0.19 0.58 0.47 -0.69 0.00 0.00 174.62 175.17 3mqg n ASP 184 N 5.05 -1.53 -0.20 3.53 10.43 -0.72 -1.36 116.55 131.74 3mqg n ASP 184 Ca -0.09 -0.98 -0.03 0.00 2.57 0.00 0.00 54.79 56.26 3mqg n ASP 184 Cb 0.49 -3.10 -0.01 0.00 1.84 0.00 0.00 41.12 40.34 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 -1.79 0.56 3.27 0.44 0.00 -0.30 -4.70 105.19 102.68 3mqg n GLY 185 Ca -0.18 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.90 2.58 -0.17 1.61 1.01 -0.47 -4.88 120.40 118.18 3mqg s VAL 186 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3mqg s VAL 186 Cb 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3mqg s VAL 186 CO 0.00 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.77 3mqg s ARG 188 N -0.10 0.85 0.24 0.00 1.70 -0.02 -4.79 118.95 116.83 3mqg s ARG 188 Ca 0.11 -1.36 -0.30 0.00 -0.47 0.00 0.00 55.73 53.71 3mqg s ARG 188 Cb -0.11 -0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 34.14 3mqg s ARG 188 CO 0.00 -0.11 1.29 -1.17 -1.08 0.00 0.00 175.30 174.24 3mqg s LEU 189 N -3.04 4.43 0.00 -1.89 2.96 -1.26 -0.57 118.68 119.31 3mqg s LEU 189 Ca 0.15 2.46 0.21 0.00 -0.22 0.00 0.00 54.13 56.73 3mqg s LEU 189 Cb 0.07 -3.62 1.23 0.00 0.50 0.00 0.00 46.19 44.37 3mqg s LEU 189 CO -0.03 -0.50 1.61 0.00 -1.32 0.00 0.00 176.35 176.11