#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s GLN -6 N 0.00 0.85 0.71 0.00 0.74 -1.26 -5.16 119.66 115.55 3mqw s GLN -6 Ca 0.00 -0.68 -0.15 0.00 0.05 0.00 0.00 55.36 54.58 3mqw s GLN -6 Cb 0.00 -0.83 0.03 0.00 1.10 0.00 0.00 33.01 33.31 3mqw s GLN -6 CO 0.00 0.21 1.19 0.95 -0.55 0.00 0.00 175.29 177.09 3mqw s THR -5 N -0.79 2.48 -0.15 -0.34 -4.23 -1.26 -4.99 115.64 106.36 3mqw s THR -5 Ca 0.01 0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.90 3mqw s THR -5 Cb -0.07 -2.82 0.38 0.00 1.34 0.00 0.00 72.50 71.33 3mqw s THR -5 CO 0.01 -0.12 1.19 0.00 -0.54 0.00 0.00 174.62 175.16 3mqw n GLN -4 N -2.57 1.22 0.00 3.99 1.13 -1.26 -5.10 117.38 114.79 3mqw n GLN -4 Ca 0.13 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.32 3mqw n GLN -4 Cb 0.50 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.56 3mqw n GLN -4 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mqw n GLY -3 N -0.87 2.72 3.72 1.08 0.00 -1.26 -4.81 105.19 105.76 3mqw n GLY -3 Ca 0.16 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3mqw n GLY -3 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mqw s PRO -2 N -2.64 4.17 0.00 1.61 0.02 -1.26 -1.85 135.00 135.05 3mqw s PRO -2 Ca 0.00 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3mqw s PRO -2 Cb 0.00 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3mqw s PRO -2 CO 0.00 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 3mqw n GLY -1 N 3.74 3.21 0.13 0.52 0.00 -1.26 -4.93 105.19 106.60 3mqw n GLY -1 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3mqw n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mqw h SER 0 N 0.05 0.17 -3.50 1.61 4.64 -1.68 -3.43 113.55 111.41 3mqw h SER 0 Ca 0.00 -0.13 -0.66 0.00 -0.47 0.00 0.00 61.79 60.53 3mqw h SER 0 Cb 0.00 -0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 61.82 3mqw h SER 0 CO 0.00 0.89 -0.71 -0.04 -0.87 0.00 0.00 176.83 176.10 3mqw s MET 1 N -3.33 3.17 0.36 4.77 -1.94 -1.26 -4.91 119.30 116.16 3mqw s MET 1 Ca -0.02 -0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 53.35 3mqw s MET 1 Cb 0.11 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.27 3mqw s MET 1 CO 0.81 0.43 0.52 -1.54 -0.01 0.00 0.00 175.02 175.23 3mqw s SER 2 N -0.18 0.98 0.17 3.03 1.04 -1.26 -5.06 113.70 112.42 3mqw s SER 2 Ca 0.02 -1.52 -0.16 0.00 0.48 0.00 0.00 55.95 54.77 3mqw s SER 2 Cb -0.13 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.81 3mqw s SER 2 CO 0.03 -1.37 1.69 0.50 0.98 0.00 0.00 173.24 175.07 3mqw h LYS 3 N 2.06 0.09 -5.20 4.02 1.63 -2.00 -3.38 116.57 113.79 3mqw h LYS 3 Ca -0.29 -0.01 -0.64 0.00 -0.85 0.00 0.00 60.65 58.87 3mqw h LYS 3 Cb 1.24 -0.02 -0.22 0.00 -0.60 0.00 0.00 32.23 32.63 3mqw h LYS 3 CO 0.39 0.06 -0.65 -0.51 -3.45 0.00 0.00 179.45 175.28 3mqw s LEU 4 N -10.53 3.33 -0.13 5.20 1.43 -1.26 -4.43 118.68 112.29 3mqw s LEU 4 Ca -0.13 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3mqw s LEU 4 Cb 0.14 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3mqw s LEU 4 CO 0.71 0.11 -0.15 -0.89 0.23 0.00 0.00 176.35 176.36 3mqw s THR 5 N 0.72 2.82 -0.06 5.49 2.01 -0.93 -4.95 115.64 120.74 3mqw s THR 5 Ca -0.00 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 3mqw s THR 5 Cb -0.14 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 3mqw s THR 5 CO 0.02 0.53 0.93 -0.69 -0.69 0.00 0.00 174.62 174.72 3mqw s VAL 6 N 0.46 4.87 -0.18 3.82 1.01 -1.26 -0.76 120.40 128.35 3mqw s VAL 6 Ca -0.11 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 3mqw s VAL 6 Cb -0.16 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3mqw s VAL 6 CO 0.05 0.11 0.37 -0.69 0.00 0.00 0.00 175.10 174.94 3mqw s VAL 7 N 1.43 5.24 -0.34 2.92 1.01 -0.14 -4.97 120.40 125.55 3mqw s VAL 7 Ca 0.47 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 3mqw s VAL 7 Cb -0.19 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.62 3mqw s VAL 7 CO 0.22 0.31 0.21 0.00 0.00 0.00 0.00 175.10 175.84 3mqw s ALA 8 N 0.91 0.67 -0.01 5.51 0.00 -1.26 -3.69 121.76 123.89 3mqw s ALA 8 Ca 0.19 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 3mqw s ALA 8 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3mqw s ALA 8 CO 0.07 -1.99 0.74 0.45 0.00 0.00 0.00 175.76 175.04 3mqw s SER 9 N 1.40 7.11 0.00 0.00 0.15 -1.26 -4.94 113.70 116.16 3mqw s SER 9 Ca 0.15 1.33 0.20 0.00 0.70 0.00 0.00 55.95 58.33 3mqw s SER 9 Cb -0.20 -2.45 1.15 0.00 -1.71 0.00 0.00 66.02 62.82 3mqw s SER 9 CO -0.10 -0.06 1.57 -0.81 1.20 0.00 0.00 173.24 175.04 3mqw n PRO 10 N 3.34 0.58 0.00 5.44 -0.04 -1.26 -2.91 135.00 140.15 3mqw n PRO 10 Ca -0.01 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3mqw n PRO 10 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 3mqw n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mqw n LEU 11 N -1.04 0.99 -4.72 1.53 4.77 -1.26 -4.93 117.00 112.34 3mqw n LEU 11 Ca 0.14 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 3mqw n LEU 11 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3mqw n LEU 11 CO 0.12 0.23 -0.23 0.00 -1.33 0.00 0.00 177.39 176.18 3mqw s ALA 12 N -2.70 3.41 0.26 -1.18 0.00 -1.14 -4.67 121.76 115.73 3mqw s ALA 12 Ca 0.08 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 3mqw s ALA 12 Cb 0.14 -0.81 -0.13 0.00 0.00 0.00 0.00 23.12 22.31 3mqw s ALA 12 CO 0.74 0.13 1.33 -2.30 0.00 0.00 0.00 175.76 175.65 3mqw n PRO 13 N -1.08 1.93 -2.07 0.00 -0.02 -1.26 -4.77 135.00 127.73 3mqw n PRO 13 Ca -0.05 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3mqw n PRO 13 Cb 0.60 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3mqw n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mqw s GLU 14 N -0.84 4.30 -0.81 -0.52 2.12 -1.26 -4.91 118.70 116.79 3mqw s GLU 14 Ca 0.65 2.26 -0.24 0.00 0.36 0.00 0.00 54.97 58.00 3mqw s GLU 14 Cb -0.65 -3.04 0.06 0.00 0.26 0.00 0.00 34.13 30.76 3mqw s GLU 14 CO 0.54 -0.25 1.22 0.00 -0.54 0.00 0.00 175.26 176.22 3mqw s ALA 15 N -1.15 2.91 -0.34 6.30 0.00 -1.26 -4.93 121.76 123.29 3mqw s ALA 15 Ca 0.50 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.50 3mqw s ALA 15 Cb -0.41 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 18.55 3mqw s ALA 15 CO 0.54 -3.19 0.14 0.14 0.00 0.00 0.00 175.76 173.39 3mqw s VAL 16 N 4.75 4.18 0.00 0.00 -7.23 -1.26 -4.88 120.40 115.96 3mqw s VAL 16 Ca 0.34 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 3mqw s VAL 16 Cb -0.08 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.56 3mqw s VAL 16 CO 0.05 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3mqw n GLY 17 N 4.91 1.18 1.72 2.32 0.00 -1.26 -4.87 105.19 109.18 3mqw n GLY 17 Ca -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 46.02 43.59 3mqw n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqw n ALA 18 N -0.92 3.68 -2.76 4.61 0.00 -1.26 -4.75 120.51 119.12 3mqw n ALA 18 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 3mqw n ALA 18 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 3mqw n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3mqw s TYR 19 N 0.68 0.67 0.19 0.00 -0.85 -1.26 -5.17 117.35 111.61 3mqw s TYR 19 Ca 0.09 -0.98 0.11 0.00 -0.52 0.00 0.00 57.07 55.77 3mqw s TYR 19 Cb 0.04 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 3mqw s TYR 19 CO 0.00 -0.83 -0.21 -1.12 -1.52 0.00 0.00 175.55 171.87 3mqw s SER 20 N -3.07 3.58 0.22 -0.18 0.01 -1.26 -4.73 113.70 108.27 3mqw s SER 20 Ca 0.28 -0.82 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 3mqw s SER 20 Cb 0.03 -0.34 0.29 0.00 0.21 0.00 0.00 66.02 66.21 3mqw s SER 20 CO 0.09 0.12 1.80 1.56 0.41 0.00 0.00 173.24 177.22 3mqw h GLN 21 N 3.14 0.65 -3.02 12.44 4.20 -1.93 -3.41 115.11 127.19 3mqw h GLN 21 Ca -0.46 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.21 3mqw h GLN 21 Cb 1.21 -0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.74 3mqw h GLN 21 CO 0.49 0.43 0.20 0.00 -0.67 0.00 0.00 178.83 179.29 3mqw s ALA 22 N -6.07 -1.45 -0.06 3.87 0.00 -1.24 -0.95 121.76 115.85 3mqw s ALA 22 Ca -0.13 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3mqw s ALA 22 Cb 0.17 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.17 3mqw s ALA 22 CO 0.76 -0.85 -0.14 0.42 0.00 0.00 0.00 175.76 175.96 3mqw s ILE 23 N -3.81 1.22 -0.14 0.00 -1.09 -0.68 -0.97 121.20 115.73 3mqw s ILE 23 Ca 0.04 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.77 3mqw s ILE 23 Cb -0.02 -1.09 -0.05 0.00 -1.58 0.00 0.00 42.46 39.72 3mqw s ILE 23 CO -0.07 0.37 0.34 -0.63 -1.23 0.00 0.00 174.94 173.72 3mqw s ILE 24 N 0.50 5.26 -0.06 2.92 1.01 0.06 -0.43 121.20 130.45 3mqw s ILE 24 Ca -0.12 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 3mqw s ILE 24 Cb -0.15 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.69 3mqw s ILE 24 CO 0.04 0.40 0.13 0.00 0.00 0.00 0.00 174.94 175.50 3mqw n ASN 26 N 4.66 -3.05 -0.08 0.00 3.02 -1.26 -1.52 115.26 117.02 3mqw n ASN 26 Ca -0.18 -0.92 -0.01 0.00 -0.03 0.00 0.00 54.58 53.44 3mqw n ASN 26 Cb 0.51 -3.29 -0.00 0.00 -0.61 0.00 0.00 39.78 36.38 3mqw n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mqw n GLY 27 N -1.63 0.48 3.45 7.41 0.00 -1.26 -5.02 105.19 108.61 3mqw n GLY 27 Ca -0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3mqw n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mqw s MET 28 N -0.90 1.88 -0.23 1.61 -1.94 -0.58 -1.79 119.30 117.35 3mqw s MET 28 Ca 0.00 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 52.84 3mqw s MET 28 Cb 0.00 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.72 3mqw s MET 28 CO 0.00 0.51 -0.02 0.08 -0.01 0.00 0.00 175.02 175.58 3mqw s VAL 29 N -0.99 3.55 -0.41 -6.03 1.01 0.77 -0.57 120.40 117.73 3mqw s VAL 29 Ca 0.15 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3mqw s VAL 29 Cb -0.10 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3mqw s VAL 29 CO 0.06 0.38 0.28 -0.31 0.00 0.00 0.00 175.10 175.51 3mqw s TYR 30 N 1.50 3.27 -0.10 5.22 2.02 0.42 -1.18 117.35 128.49 3mqw s TYR 30 Ca 0.05 -1.06 -0.13 0.00 -0.37 0.00 0.00 57.07 55.57 3mqw s TYR 30 Cb -0.15 -2.76 -0.05 0.00 -0.40 0.00 0.00 41.96 38.61 3mqw s TYR 30 CO -0.02 -0.73 0.30 0.00 -1.57 0.00 0.00 175.55 173.53 3mqw n SER 32 N 2.66 0.52 -4.60 0.00 7.64 -0.13 -3.45 113.62 116.27 3mqw n SER 32 Ca -0.14 0.47 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 3mqw n SER 32 Cb 0.53 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.22 3mqw n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mqw s GLY 33 N -2.47 0.84 0.21 0.23 0.00 -1.26 -4.43 107.32 100.44 3mqw s GLY 33 Ca 0.69 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 3mqw s GLY 33 CO 0.56 3.14 1.07 1.20 0.00 0.00 0.00 173.10 179.06 3mqw s GLN 34 N 5.55 4.65 0.48 2.90 -1.52 0.80 -4.73 119.66 127.79 3mqw s GLN 34 Ca 0.74 1.69 0.06 0.00 -1.95 0.00 0.00 55.36 55.90 3mqw s GLN 34 Cb -0.19 -3.26 -0.00 0.00 -0.22 0.00 0.00 33.01 29.33 3mqw s GLN 34 CO 0.32 0.19 0.32 0.96 -0.25 0.00 0.00 175.29 176.84 3mqw s ILE 35 N -0.62 2.04 -0.34 1.08 -4.36 -1.26 -1.05 121.20 116.69 3mqw s ILE 35 Ca 0.47 -1.53 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 3mqw s ILE 35 Cb -0.29 -2.57 0.11 0.00 1.25 0.00 0.00 42.46 40.96 3mqw s ILE 35 CO 0.36 0.00 2.44 0.61 0.24 0.00 0.00 174.94 178.58 3mqw n GLY 36 N -1.56 4.09 3.78 6.27 0.00 -1.26 -4.55 105.19 111.97 3mqw n GLY 36 Ca -0.01 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 3mqw n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mqw s LEU 37 N -1.80 4.42 -0.30 0.99 1.43 -1.26 -0.96 118.68 121.20 3mqw s LEU 37 Ca 0.44 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 3mqw s LEU 37 Cb 0.30 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3mqw s LEU 37 CO -0.09 0.02 0.20 -0.62 0.23 0.00 0.00 176.35 176.09 3mqw s ASP 38 N -1.50 6.03 0.47 2.29 -1.08 0.59 -4.66 116.67 118.80 3mqw s ASP 38 Ca 0.45 -0.12 0.19 0.00 -0.52 0.00 0.00 52.55 52.55 3mqw s ASP 38 Cb -0.20 -2.12 1.19 0.00 -1.46 0.00 0.00 42.92 40.33 3mqw s ASP 38 CO 0.25 -0.10 1.98 0.08 0.52 0.00 0.00 175.17 177.90 3mqw h ARG 39 N 8.40 0.22 0.00 4.34 -0.00 -1.86 0.70 114.38 126.18 3mqw h ARG 39 Ca -0.34 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.57 3mqw h ARG 39 Cb 1.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 31.09 3mqw h ARG 39 CO 0.57 0.15 -0.27 0.87 -0.00 0.00 0.00 179.97 181.29 3mqw h LYS 40 N 0.23 0.00 0.00 0.08 1.79 -1.93 -3.31 116.57 113.43 3mqw h LYS 40 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3mqw h LYS 40 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 3mqw h LYS 40 CO -0.05 0.27 -0.93 0.25 -1.08 0.00 0.00 179.45 177.90 3mqw n THR 41 N -3.75 0.00 -1.17 -0.16 -2.24 -0.32 -4.98 114.28 101.65 3mqw n THR 41 Ca -0.01 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 3mqw n THR 41 Cb 0.37 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3mqw n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqw n GLY 42 N 1.72 0.71 3.41 3.38 0.00 0.09 -4.99 105.19 109.49 3mqw n GLY 42 Ca -0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3mqw n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mqw s ASP 43 N -2.37 1.97 0.37 1.61 -1.08 -1.24 -4.90 116.67 111.02 3mqw s ASP 43 Ca 0.00 -1.40 -0.28 0.00 -0.52 0.00 0.00 52.55 50.35 3mqw s ASP 43 Cb 0.00 0.05 -0.11 0.00 -1.46 0.00 0.00 42.92 41.39 3mqw s ASP 43 CO 0.00 -0.68 1.38 0.49 0.52 0.00 0.00 175.17 176.88 3mqw n PHE 44 N -0.62 2.59 0.25 -5.34 3.72 -1.26 -0.30 117.46 116.50 3mqw n PHE 44 Ca -0.02 0.50 0.15 0.00 -0.05 0.00 0.00 57.45 58.03 3mqw n PHE 44 Cb 0.66 -2.46 0.85 0.00 -0.94 0.00 0.00 39.48 37.59 3mqw n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mqw h ALA 45 N 2.68 1.70 -1.21 4.37 0.00 -1.36 -3.44 119.26 121.99 3mqw h ALA 45 Ca -0.48 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 54.80 3mqw h ALA 45 Cb 1.27 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3mqw h ALA 45 CO 0.63 -0.11 0.95 0.20 0.00 0.00 0.00 179.25 180.91 3mqw s GLY 46 N -4.07 -0.46 0.11 0.00 0.00 -1.26 -4.96 107.32 96.69 3mqw s GLY 46 Ca -0.05 0.83 0.27 0.00 0.00 0.00 0.00 44.72 45.77 3mqw s GLY 46 CO 0.57 0.64 1.71 0.28 0.00 0.00 0.00 173.10 176.30 3mqw n LYS 47 N -0.53 0.17 -3.83 2.90 4.76 -1.26 -4.55 118.16 115.81 3mqw n LYS 47 Ca -0.08 0.11 -0.23 0.00 -2.87 0.00 0.00 58.31 55.24 3mqw n LYS 47 Cb 0.63 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3mqw n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3mqw s THR 48 N -3.07 5.24 0.33 -0.18 -4.23 -1.26 -4.99 115.64 107.47 3mqw s THR 48 Ca 0.11 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3mqw s THR 48 Cb 0.15 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.45 3mqw s THR 48 CO 0.61 -0.32 1.93 -0.29 -0.54 0.00 0.00 174.62 176.00 3mqw h ILE 49 N 1.20 1.04 -0.04 2.99 6.09 -1.97 -1.67 117.51 125.14 3mqw h ILE 49 Ca -0.51 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 62.67 3mqw h ILE 49 Cb 1.22 0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 3mqw h ILE 49 CO 0.63 0.16 0.02 -0.33 -3.07 0.00 0.00 178.15 175.56 3mqw h GLU 50 N 0.90 0.05 -0.49 2.19 3.07 -1.95 -0.76 114.58 117.60 3mqw h GLU 50 Ca 0.36 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 3mqw h GLU 50 Cb 0.25 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3mqw h GLU 50 CO -0.13 0.15 -0.00 0.93 -1.40 0.00 0.00 179.01 178.56 3mqw h GLU 51 N -0.06 0.86 -0.28 2.33 5.08 -1.85 -2.25 114.58 118.41 3mqw h GLU 51 Ca 0.01 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 3mqw h GLU 51 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3mqw h GLU 51 CO -0.00 0.90 -0.47 1.96 -1.00 0.00 0.00 179.01 180.41 3mqw h GLN 52 N 0.72 0.74 -0.51 2.33 4.20 -1.25 -2.25 115.11 119.09 3mqw h GLN 52 Ca 0.14 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 3mqw h GLN 52 Cb 0.52 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3mqw h GLN 52 CO 0.03 1.05 0.21 0.77 -0.67 0.00 0.00 178.83 180.21 3mqw h SER 53 N 0.59 0.71 -0.26 1.46 0.02 -1.03 -0.20 113.55 114.83 3mqw h SER 53 Ca 0.03 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3mqw h SER 53 Cb 1.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3mqw h SER 53 CO 0.10 0.68 0.13 0.11 -1.14 0.00 0.00 176.83 176.71 3mqw h LYS 54 N 0.69 0.37 -0.60 3.45 1.57 -1.33 -1.68 116.57 119.04 3mqw h LYS 54 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3mqw h LYS 54 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3mqw h LYS 54 CO -0.01 0.36 0.33 0.37 -0.57 0.00 0.00 179.45 179.92 3mqw h GLN 55 N 0.29 0.84 -0.39 3.15 5.75 -1.17 -1.78 115.11 121.80 3mqw h GLN 55 Ca 0.09 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 3mqw h GLN 55 Cb 0.10 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3mqw h GLN 55 CO -0.01 0.64 0.15 0.28 -2.65 0.00 0.00 178.83 177.23 3mqw h VAL 56 N 0.81 0.90 -0.61 2.39 2.07 -0.83 0.12 116.25 121.11 3mqw h VAL 56 Ca 0.21 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3mqw h VAL 56 Cb 0.04 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3mqw h VAL 56 CO -0.03 0.06 0.05 0.24 0.02 0.00 0.00 177.57 177.90 3mqw h MET 57 N 0.31 1.02 -0.21 1.57 2.86 -1.11 -0.77 114.93 118.61 3mqw h MET 57 Ca 0.17 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3mqw h MET 57 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3mqw h MET 57 CO -0.17 0.97 0.10 1.15 1.06 0.00 0.00 176.91 180.02 3mqw h THR 58 N 0.95 1.14 -0.32 2.22 2.02 -1.08 -1.76 112.91 116.08 3mqw h THR 58 Ca 0.18 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3mqw h THR 58 Cb 0.48 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 3mqw h THR 58 CO 0.02 0.14 -0.06 0.78 0.37 0.00 0.00 175.52 176.77 3mqw h ASN 59 N 0.20 -0.25 -0.48 4.18 2.35 -0.52 -1.17 115.58 119.88 3mqw h ASN 59 Ca 0.07 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3mqw h ASN 59 Cb 0.13 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3mqw h ASN 59 CO -0.01 -0.08 0.28 -0.07 -1.65 0.00 0.00 177.43 175.90 3mqw h LEU 60 N 0.02 0.59 -0.41 1.61 3.38 -1.10 -1.40 115.31 118.00 3mqw h LEU 60 Ca 0.15 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3mqw h LEU 60 Cb 0.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3mqw h LEU 60 CO -0.31 0.49 0.22 0.50 0.09 0.00 0.00 178.44 179.43 3mqw h LYS 61 N 0.64 0.43 -0.33 1.13 3.64 -0.98 -0.44 116.57 120.66 3mqw h LYS 61 Ca 0.17 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3mqw h LYS 61 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3mqw h LYS 61 CO -0.03 0.28 -0.23 1.88 -2.27 0.00 0.00 179.45 179.08 3mqw h TYR 62 N 0.44 0.72 0.08 1.91 0.05 -0.86 -0.84 116.97 118.49 3mqw h TYR 62 Ca 0.17 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3mqw h TYR 62 Cb 0.06 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3mqw h TYR 62 CO -0.09 0.82 -0.07 0.28 -1.05 0.00 0.00 178.16 178.04 3mqw h VAL 63 N 0.57 0.83 -0.20 -2.88 2.07 -0.90 -1.50 116.25 114.24 3mqw h VAL 63 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3mqw h VAL 63 Cb 0.70 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3mqw h VAL 63 CO 0.05 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.69 3mqw h LEU 64 N -0.17 0.19 -1.05 2.57 3.38 -0.90 -1.96 115.31 117.37 3mqw h LEU 64 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3mqw h LEU 64 Cb 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3mqw h LEU 64 CO -0.01 0.14 0.27 -0.33 0.09 0.00 0.00 178.44 178.60 3mqw h GLU 65 N 0.24 0.95 -0.63 1.13 5.08 -1.12 0.17 114.58 120.38 3mqw h GLU 65 Ca 0.08 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3mqw h GLU 65 Cb -0.01 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3mqw h GLU 65 CO -0.04 0.76 0.19 1.49 -1.00 0.00 0.00 179.01 180.42 3mqw h GLU 66 N 0.93 0.97 0.00 2.33 4.57 -1.05 -1.78 114.58 120.55 3mqw h GLU 66 Ca 0.22 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3mqw h GLU 66 Cb 0.16 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3mqw h GLU 66 CO -0.02 0.84 0.00 0.00 -1.18 0.00 0.00 179.01 178.64 3mqw h ALA 67 N 1.27 1.00 0.00 2.92 0.00 -0.68 -3.46 119.26 120.31 3mqw h ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mqw h ALA 67 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mqw h ALA 67 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3mqw n GLY 68 N -0.49 0.79 0.00 0.00 0.00 -0.67 -5.01 105.19 99.81 3mqw n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mqw n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mqw n SER 69 N 0.00 0.37 -3.67 1.61 2.88 0.52 -4.82 113.62 110.51 3mqw n SER 69 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3mqw n SER 69 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3mqw n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3mqw s SER 70 N -0.62 -0.25 0.33 -3.46 1.04 -1.26 -3.71 113.70 105.77 3mqw s SER 70 Ca 0.00 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.17 3mqw s SER 70 Cb 0.00 0.47 0.59 0.00 0.10 0.00 0.00 66.02 67.18 3mqw s SER 70 CO 0.00 -0.84 1.98 0.24 0.98 0.00 0.00 173.24 175.61 3mqw h MET 71 N 2.00 0.90 0.00 4.02 2.86 -1.94 -2.25 114.93 120.52 3mqw h MET 71 Ca -0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3mqw h MET 71 Cb 1.24 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3mqw h MET 71 CO 0.27 0.59 0.00 -0.44 1.06 0.00 0.00 176.91 178.40 3mqw h ASP 72 N 0.93 0.00 -0.49 1.22 3.32 -1.96 -2.76 116.42 116.68 3mqw h ASP 72 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3mqw h ASP 72 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3mqw h ASP 72 CO -0.07 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.74 3mqw n LYS 73 N -2.38 2.54 -2.36 3.56 5.02 -0.85 -4.95 118.16 118.73 3mqw n LYS 73 Ca 0.01 -2.33 -0.42 0.00 -2.02 0.00 0.00 58.31 53.55 3mqw n LYS 73 Cb 0.20 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3mqw n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mqw s VAL 74 N -1.20 3.88 -0.18 -0.18 1.01 -1.05 -1.20 120.40 121.48 3mqw s VAL 74 Ca 0.39 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.66 3mqw s VAL 74 Cb 0.21 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.52 3mqw s VAL 74 CO 0.29 0.09 0.11 0.52 0.00 0.00 0.00 175.10 176.11 3mqw n VAL 75 N 4.02 1.65 -3.68 2.92 0.31 0.18 -4.50 118.33 119.24 3mqw n VAL 75 Ca 0.10 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 3mqw n VAL 75 Cb 0.45 -1.64 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 3mqw n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3mqw s LYS 76 N -2.53 0.61 0.28 5.55 2.47 -1.06 -1.05 119.74 124.01 3mqw s LYS 76 Ca -0.28 0.88 0.09 0.00 -1.56 0.00 0.00 55.97 55.10 3mqw s LYS 76 Cb 0.08 0.21 -0.06 0.00 -1.46 0.00 0.00 37.83 36.60 3mqw s LYS 76 CO 0.69 -0.11 -0.12 0.95 0.16 0.00 0.00 175.35 176.91 3mqw s THR 77 N 0.81 2.03 -0.08 3.43 -4.23 0.04 -1.10 115.64 116.54 3mqw s THR 77 Ca -0.04 -2.24 0.02 0.00 -1.18 0.00 0.00 61.69 58.25 3mqw s THR 77 Cb -0.05 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3mqw s THR 77 CO -0.06 -0.36 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.64 3mqw s THR 78 N -2.77 1.19 -0.28 3.99 2.01 -0.52 -1.83 115.64 117.44 3mqw s THR 78 Ca 0.29 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.83 3mqw s THR 78 Cb 0.00 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.46 3mqw s THR 78 CO 0.13 0.38 -0.07 0.00 -0.69 0.00 0.00 174.62 174.37 3mqw s LEU 80 N 1.14 3.63 0.14 0.00 1.02 -0.09 -2.02 118.68 122.49 3mqw s LEU 80 Ca -0.07 0.02 0.10 0.00 0.02 0.00 0.00 54.13 54.20 3mqw s LEU 80 Cb -0.20 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 3mqw s LEU 80 CO -0.04 0.18 -0.21 -0.76 0.02 0.00 0.00 176.35 175.54 3mqw s LEU 81 N 0.32 2.58 0.33 1.79 1.43 -0.28 -1.09 118.68 123.76 3mqw s LEU 81 Ca 0.01 -0.67 0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3mqw s LEU 81 Cb -0.13 -1.40 0.44 0.00 0.03 0.00 0.00 46.19 45.13 3mqw s LEU 81 CO 0.01 0.16 1.62 0.00 0.23 0.00 0.00 176.35 178.37 3mqw h ALA 82 N 3.58 0.86 -2.93 4.21 0.00 -1.38 -0.87 119.26 122.73 3mqw h ALA 82 Ca -0.49 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 53.78 3mqw h ALA 82 Cb 1.18 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.57 3mqw h ALA 82 CO 0.45 0.57 -0.54 0.34 0.00 0.00 0.00 179.25 180.07 3mqw s ASP 83 N -6.46 0.29 0.59 0.00 -1.08 -1.26 -4.75 116.67 103.99 3mqw s ASP 83 Ca 0.01 0.54 0.30 0.00 -0.52 0.00 0.00 52.55 52.88 3mqw s ASP 83 Cb 0.10 0.58 1.81 0.00 -1.46 0.00 0.00 42.92 43.94 3mqw s ASP 83 CO 0.71 -0.23 2.24 -0.29 0.52 0.00 0.00 175.17 178.12 3mqw h ILE 84 N 6.22 0.50 0.00 4.11 6.09 -1.94 -1.26 117.51 131.24 3mqw h ILE 84 Ca -0.19 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.21 3mqw h ILE 84 Cb 1.12 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 3mqw h ILE 84 CO 0.18 0.02 -0.03 0.11 -3.07 0.00 0.00 178.15 175.36 3mqw h LYS 85 N 0.00 0.00 0.00 2.19 6.56 -2.00 -1.60 116.57 121.72 3mqw h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3mqw h LYS 85 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 3mqw h LYS 85 CO 0.00 0.03 0.00 -0.25 -2.06 0.00 0.00 179.45 177.17 3mqw n ASP 86 N -3.30 0.00 -0.14 0.86 8.00 -0.47 -4.29 116.55 117.21 3mqw n ASP 86 Ca -0.02 -0.98 -0.04 0.00 0.71 0.00 0.00 54.79 54.46 3mqw n ASP 86 Cb 0.16 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3mqw n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3mqw h PHE 87 N 0.00 0.19 -0.64 1.24 3.57 -1.46 -0.86 116.94 118.98 3mqw h PHE 87 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3mqw h PHE 87 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3mqw h PHE 87 CO 0.00 0.04 0.39 0.78 -2.23 0.00 0.00 178.31 177.29 3mqw h GLY 88 N 0.26 0.92 0.80 2.40 0.00 -1.84 0.26 103.07 105.86 3mqw h GLY 88 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3mqw h GLY 88 CO -0.25 0.24 -0.35 -2.08 0.00 0.00 0.00 176.54 174.09 3mqw h VAL 89 N 0.76 1.38 -0.09 4.60 2.07 -1.81 -2.26 116.25 120.90 3mqw h VAL 89 Ca 0.26 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 66.16 3mqw h VAL 89 Cb 0.04 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3mqw h VAL 89 CO -0.11 0.49 -0.17 0.15 0.02 0.00 0.00 177.57 177.95 3mqw h PHE 90 N 0.04 -0.44 -0.89 1.57 3.57 -0.86 -2.60 116.94 117.33 3mqw h PHE 90 Ca -0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3mqw h PHE 90 Cb 0.97 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 3mqw h PHE 90 CO 0.11 -0.24 0.58 -0.97 -2.23 0.00 0.00 178.31 175.56 3mqw h ASN 91 N -0.23 0.90 -0.85 0.41 -1.24 -0.41 0.07 115.58 114.23 3mqw h ASN 91 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 3mqw h ASN 91 Cb 0.35 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 3mqw h ASN 91 CO -0.22 0.59 0.43 1.23 -1.29 0.00 0.00 177.43 178.16 3mqw h GLY 92 N 1.03 1.30 1.42 1.57 0.00 -1.03 -0.28 103.07 107.08 3mqw h GLY 92 Ca 0.38 -0.63 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 3mqw h GLY 92 CO -0.14 0.60 -0.75 -2.22 0.00 0.00 0.00 176.54 174.04 3mqw h ILE 93 N 1.20 1.33 -0.31 2.60 2.04 -1.06 -1.94 117.51 121.38 3mqw h ILE 93 Ca 0.29 -2.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 3mqw h ILE 93 Cb 0.09 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3mqw h ILE 93 CO -0.04 0.63 0.06 0.22 0.00 0.00 0.00 178.15 179.02 3mqw h TYR 94 N 0.39 0.54 -0.74 1.37 3.20 -0.85 -1.21 116.97 119.69 3mqw h TYR 94 Ca -0.04 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 3mqw h TYR 94 Cb 1.34 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 3mqw h TYR 94 CO 0.06 0.58 0.22 0.00 -1.64 0.00 0.00 178.16 177.39 3mqw h ALA 95 N 0.89 1.00 -0.23 1.82 0.00 -0.99 -1.66 119.26 120.08 3mqw h ALA 95 Ca 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3mqw h ALA 95 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3mqw h ALA 95 CO 0.00 0.67 -0.21 1.49 0.00 0.00 0.00 179.25 181.20 3mqw h GLU 96 N 1.10 0.42 -0.02 0.00 4.81 -1.20 -0.80 114.58 118.88 3mqw h GLU 96 Ca 0.24 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3mqw h GLU 96 Cb 0.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3mqw h GLU 96 CO -0.01 0.62 -0.75 0.00 -0.73 0.00 0.00 179.01 178.14 3mqw h ALA 97 N 1.40 0.69 -0.00 2.92 0.00 -0.80 -3.14 119.26 120.33 3mqw h ALA 97 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3mqw h ALA 97 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mqw h ALA 97 CO 0.04 0.84 -0.37 1.19 0.00 0.00 0.00 179.25 180.96 3mqw n PHE 98 N -3.74 0.00 0.00 0.00 3.72 -0.66 -5.02 117.46 111.75 3mqw n PHE 98 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mqw n PHE 98 Cb 0.72 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3mqw n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mqw n GLY 99 N 1.46 3.82 0.08 1.37 0.00 -0.33 -1.33 105.19 110.26 3mqw n GLY 99 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3mqw n GLY 99 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mqw n ASN 100 N 6.53 0.52 -4.74 1.61 5.15 -1.26 -4.78 115.26 118.28 3mqw n ASN 100 Ca 0.00 -0.33 -0.41 0.00 -0.60 0.00 0.00 54.58 53.24 3mqw n ASN 100 Cb 0.00 0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.25 3mqw n ASN 100 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3mqw s HIS 101 N -2.78 3.56 -0.50 1.20 2.46 -0.44 -5.01 115.29 113.77 3mqw s HIS 101 Ca 0.18 1.57 0.03 0.00 0.47 0.00 0.00 55.06 57.32 3mqw s HIS 101 Cb 0.19 -3.30 0.15 0.00 -0.13 0.00 0.00 32.58 29.49 3mqw s HIS 101 CO 0.59 -0.71 0.33 0.15 -2.47 0.00 0.00 174.74 172.63 3mqw s LYS 102 N -0.39 1.51 0.85 2.88 1.02 -1.26 -4.82 119.74 119.53 3mqw s LYS 102 Ca 0.50 -2.39 -0.11 0.00 0.02 0.00 0.00 55.97 53.99 3mqw s LYS 102 Cb -0.30 -2.41 0.11 0.00 -0.52 0.00 0.00 37.83 34.71 3mqw s LYS 102 CO 0.35 -1.25 1.13 -2.14 -0.92 0.00 0.00 175.35 172.53 3mqw s PRO 103 N -0.20 1.54 0.83 -1.68 0.02 -1.26 -5.00 135.00 129.24 3mqw s PRO 103 Ca 0.23 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.58 3mqw s PRO 103 Cb -0.12 -1.79 0.10 0.00 0.02 0.00 0.00 34.50 32.70 3mqw s PRO 103 CO -0.09 -2.23 1.19 0.00 -0.33 0.00 0.00 177.00 175.54 3mqw s ALA 104 N -2.66 1.77 -0.14 -1.55 0.00 -0.21 -4.86 121.76 114.11 3mqw s ALA 104 Ca 0.66 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 3mqw s ALA 104 Cb -0.22 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.48 3mqw s ALA 104 CO 0.56 -2.38 0.54 0.50 0.00 0.00 0.00 175.76 174.98 3mqw s ARG 105 N -4.27 0.73 0.04 0.00 3.52 -1.26 -0.78 118.95 116.93 3mqw s ARG 105 Ca 0.71 0.50 0.06 0.00 -0.13 0.00 0.00 55.73 56.87 3mqw s ARG 105 Cb -0.27 0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.45 3mqw s ARG 105 CO 0.52 -0.15 -0.17 0.00 -0.81 0.00 0.00 175.30 174.69 3mqw s ALA 106 N -0.29 1.44 0.01 6.12 0.00 -0.76 -4.97 121.76 123.31 3mqw s ALA 106 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3mqw s ALA 106 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3mqw s ALA 106 CO 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 175.76 176.07 3mqw s PHE 108 N -0.60 -0.27 -0.22 0.00 -0.12 -0.86 -4.99 117.98 110.93 3mqw s PHE 108 Ca -0.05 -0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.66 3mqw s PHE 108 Cb -0.04 0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 42.94 3mqw s PHE 108 CO -0.00 -0.97 0.14 0.00 -0.05 0.00 0.00 175.22 174.34 3mqw s ALA 109 N -3.63 3.65 0.65 1.99 0.00 -1.26 -1.12 121.76 122.04 3mqw s ALA 109 Ca 0.09 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 3mqw s ALA 109 Cb -0.03 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 3mqw s ALA 109 CO -0.00 0.01 1.03 0.00 0.00 0.00 0.00 175.76 176.80 3mqw s ALA 110 N 0.66 3.04 0.28 0.00 0.00 -0.33 -4.90 121.76 120.50 3mqw s ALA 110 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3mqw s ALA 110 Cb -0.12 -2.95 0.40 0.00 0.00 0.00 0.00 23.12 20.45 3mqw s ALA 110 CO 0.01 -0.93 1.75 0.00 0.00 0.00 0.00 175.76 176.59 3mqw h ALA 111 N -0.45 1.13 -1.81 0.00 0.00 -1.90 -3.43 119.26 112.80 3mqw h ALA 111 Ca -0.45 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.29 3mqw h ALA 111 Cb 1.24 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.67 3mqw h ALA 111 CO 0.63 0.55 0.57 0.00 0.00 0.00 0.00 179.25 180.99 3mqw s ALA 112 N -4.78 -1.91 0.32 0.00 0.00 -1.26 -5.04 121.76 109.09 3mqw s ALA 112 Ca -0.08 1.38 0.10 0.00 0.00 0.00 0.00 51.96 53.37 3mqw s ALA 112 Cb 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 3mqw s ALA 112 CO 0.80 -0.48 -0.13 -0.51 0.00 0.00 0.00 175.76 175.44 3mqw s LEU 113 N -1.75 2.68 0.36 0.00 1.43 -1.26 -5.06 118.68 115.09 3mqw s LEU 113 Ca 0.02 -1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 51.70 3mqw s LEU 113 Cb -0.01 -1.02 -0.12 0.00 0.03 0.00 0.00 46.19 45.08 3mqw s LEU 113 CO -0.03 -0.13 1.37 -2.65 0.23 0.00 0.00 176.35 175.14 3mqw n PRO 114 N -0.73 2.34 -1.48 1.29 -0.02 -1.26 -2.22 135.00 132.91 3mqw n PRO 114 Ca -0.05 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.08 3mqw n PRO 114 Cb 0.62 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 3mqw n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mqw n LYS 115 N 0.48 -1.24 -1.29 -0.52 5.02 -1.26 -1.70 118.16 117.66 3mqw n LYS 115 Ca 0.03 1.08 -0.10 0.00 -2.02 0.00 0.00 58.31 57.31 3mqw n LYS 115 Cb 0.37 -5.33 -0.04 0.00 -0.02 0.00 0.00 35.03 30.01 3mqw n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mqw n GLY 116 N -0.77 1.11 3.59 0.72 0.00 -0.94 -4.99 105.19 103.91 3mqw n GLY 116 Ca -0.17 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3mqw n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqw n ALA 117 N 1.18 -0.01 0.40 4.61 0.00 -0.69 -4.92 120.51 121.08 3mqw n ALA 117 Ca -0.10 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3mqw n ALA 117 Cb 0.39 -2.05 0.15 0.00 0.00 0.00 0.00 19.45 17.94 3mqw n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mqw h LEU 118 N 1.25 0.00 -7.07 0.00 3.38 -1.94 -3.39 115.31 107.54 3mqw h LEU 118 Ca -0.45 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 3mqw h LEU 118 Cb 1.35 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.89 3mqw h LEU 118 CO 0.55 0.05 0.06 0.54 0.09 0.00 0.00 178.44 179.73 3mqw s VAL 119 N -3.22 0.00 -0.02 1.22 0.11 -1.26 -1.13 120.40 116.09 3mqw s VAL 119 Ca 0.05 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3mqw s VAL 119 Cb 0.11 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3mqw s VAL 119 CO 0.72 -0.01 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.74 3mqw s GLU 120 N 0.14 0.55 -0.07 1.54 2.12 -0.25 -4.36 118.70 118.37 3mqw s GLU 120 Ca -0.02 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.21 3mqw s GLU 120 Cb -0.04 -0.58 0.02 0.00 0.26 0.00 0.00 34.13 33.79 3mqw s GLU 120 CO 0.02 0.00 -0.05 0.08 -0.54 0.00 0.00 175.26 174.77 3mqw s VAL 121 N 0.45 0.70 0.35 3.70 1.01 -0.21 -0.92 120.40 125.48 3mqw s VAL 121 Ca -0.05 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3mqw s VAL 121 Cb -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3mqw s VAL 121 CO -0.00 0.28 0.15 -1.83 0.00 0.00 0.00 175.10 173.70 3mqw s GLU 122 N 1.28 2.37 0.21 2.72 -1.05 -0.73 -0.14 118.70 123.36 3mqw s GLU 122 Ca -0.05 -1.57 -0.22 0.00 -0.15 0.00 0.00 54.97 52.98 3mqw s GLU 122 Cb -0.14 -2.17 0.05 0.00 -0.44 0.00 0.00 34.13 31.43 3mqw s GLU 122 CO -0.02 0.08 0.68 0.00 0.95 0.00 0.00 175.26 176.95 3mqw s ILE 124 N -3.78 2.69 0.13 0.00 1.01 -0.26 -0.59 121.20 120.40 3mqw s ILE 124 Ca 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3mqw s ILE 124 Cb -0.03 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3mqw s ILE 124 CO -0.03 0.54 0.13 0.00 0.00 0.00 0.00 174.94 175.59 3mqw s ALA 125 N -0.73 0.46 0.18 9.38 0.00 -0.33 -0.64 121.76 130.08 3mqw s ALA 125 Ca 0.12 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3mqw s ALA 125 Cb -0.10 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3mqw s ALA 125 CO 0.01 -0.53 0.28 -0.08 0.00 0.00 0.00 175.76 175.44 3mqw s THR 126 N -3.99 5.15 -2.00 0.00 -1.32 -0.34 -0.16 115.64 112.97 3mqw s THR 126 Ca 0.19 -0.85 0.21 0.00 -1.21 0.00 0.00 61.69 60.02 3mqw s THR 126 Cb 0.06 -3.69 0.60 0.00 -1.51 0.00 0.00 72.50 67.95 3mqw s THR 126 CO -0.01 -0.17 1.63 0.18 -2.21 0.00 0.00 174.62 174.05