#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s THR -5 N 0.00 2.03 -0.49 1.69 -4.23 -1.26 -4.99 115.64 108.40 3mqw s THR -5 Ca 0.00 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.61 3mqw s THR -5 Cb 0.00 -3.01 0.37 0.00 1.34 0.00 0.00 72.50 71.20 3mqw s THR -5 CO 0.00 -0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.01 3mqw n GLN -4 N -1.72 2.62 0.00 3.99 1.13 -1.26 -5.09 117.38 117.05 3mqw n GLN -4 Ca 0.15 -4.34 0.00 0.00 -1.94 0.00 0.00 57.00 50.86 3mqw n GLN -4 Cb 0.47 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.78 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 -0.16 0.21 3.39 1.08 0.00 -1.26 -4.96 105.19 103.48 3mqw n GLY -3 Ca 0.29 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 3mqw n GLY -3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mqw n PRO -2 N 0.33 0.09 -1.54 1.61 -0.02 -1.26 -5.12 135.00 129.09 3mqw n PRO -2 Ca 0.00 -1.01 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 3mqw n PRO -2 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 3mqw n PRO -2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mqw n MET 1 N 6.90 -0.45 -4.24 -0.52 0.00 -1.26 -5.21 117.12 112.33 3mqw n MET 1 Ca 0.30 0.32 -0.14 0.00 0.00 0.00 0.00 57.70 58.18 3mqw n MET 1 Cb 0.46 -0.81 -0.10 0.00 0.00 0.00 0.00 33.22 32.77 3mqw n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3mqw s SER 2 N -0.76 0.54 0.23 3.17 1.04 -1.26 -5.07 113.70 111.59 3mqw s SER 2 Ca 0.00 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 54.97 3mqw s SER 2 Cb 0.00 0.31 0.20 0.00 0.10 0.00 0.00 66.02 66.63 3mqw s SER 2 CO 0.00 -0.81 1.83 0.50 0.98 0.00 0.00 173.24 175.75 3mqw h LYS 3 N 2.53 1.23 -5.54 4.02 3.64 -2.04 -3.39 116.57 117.02 3mqw h LYS 3 Ca -0.37 -0.17 -0.65 0.00 -1.27 0.00 0.00 60.65 58.19 3mqw h LYS 3 Cb 1.25 -0.23 -0.21 0.00 -0.41 0.00 0.00 32.23 32.63 3mqw h LYS 3 CO 0.55 0.93 -0.68 -0.51 -2.27 0.00 0.00 179.45 177.47 3mqw s LEU 4 N -9.84 3.19 -0.11 5.20 1.43 -1.26 -4.27 118.68 113.02 3mqw s LEU 4 Ca -0.12 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3mqw s LEU 4 Cb 0.16 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 3mqw s LEU 4 CO 0.83 0.23 -0.20 -0.89 0.23 0.00 0.00 176.35 176.55 3mqw s THR 5 N 0.01 2.38 0.04 5.49 2.01 -0.76 -4.95 115.64 119.86 3mqw s THR 5 Ca -0.00 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 60.82 3mqw s THR 5 Cb -0.13 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3mqw s THR 5 CO 0.03 0.55 0.89 -0.69 -0.69 0.00 0.00 174.62 174.71 3mqw s VAL 6 N 0.37 4.73 -0.22 3.82 1.01 -1.26 -0.77 120.40 128.07 3mqw s VAL 6 Ca -0.16 1.90 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 3mqw s VAL 6 Cb -0.17 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3mqw s VAL 6 CO 0.07 0.27 0.15 -0.69 0.00 0.00 0.00 175.10 174.90 3mqw s VAL 7 N 0.39 5.38 -0.33 2.92 1.01 -0.51 -4.96 120.40 124.30 3mqw s VAL 7 Ca 0.45 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 3mqw s VAL 7 Cb -0.21 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.81 3mqw s VAL 7 CO 0.26 0.39 0.18 0.00 0.00 0.00 0.00 175.10 175.94 3mqw s ALA 8 N 0.74 0.89 -0.00 5.51 0.00 -1.26 -3.64 121.76 124.00 3mqw s ALA 8 Ca 0.08 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 3mqw s ALA 8 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3mqw s ALA 8 CO 0.01 -1.95 0.82 0.45 0.00 0.00 0.00 175.76 175.09 3mqw s SER 9 N 1.38 7.21 0.00 0.00 0.15 -1.26 -4.95 113.70 116.23 3mqw s SER 9 Ca 0.15 1.45 0.27 0.00 0.70 0.00 0.00 55.95 58.52 3mqw s SER 9 Cb -0.21 -2.49 1.57 0.00 -1.71 0.00 0.00 66.02 63.18 3mqw s SER 9 CO -0.11 -0.12 1.97 -0.81 1.20 0.00 0.00 173.24 175.37 3mqw n PRO 10 N 3.46 0.73 -0.04 5.44 -0.04 -1.26 -3.27 135.00 140.03 3mqw n PRO 10 Ca 0.01 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3mqw n PRO 10 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.08 0.16 -4.93 1.53 4.77 -1.26 -4.95 117.00 111.24 3mqw n LEU 11 Ca 0.19 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.99 3mqw n LEU 11 Cb 0.13 0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3mqw n LEU 11 CO 0.17 0.24 0.40 0.00 -1.33 0.00 0.00 177.39 176.86 3mqw s ALA 12 N -2.97 3.54 0.34 -1.18 0.00 -1.20 -4.45 121.76 115.83 3mqw s ALA 12 Ca -0.08 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 3mqw s ALA 12 Cb 0.10 -2.37 -0.12 0.00 0.00 0.00 0.00 23.12 20.72 3mqw s ALA 12 CO 0.86 -0.55 1.26 -2.30 0.00 0.00 0.00 175.76 175.03 3mqw n PRO 13 N -2.30 2.05 -2.14 0.00 -0.02 -1.26 -4.77 135.00 126.55 3mqw n PRO 13 Ca 0.03 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3mqw n PRO 13 Cb 0.57 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.85 4.34 -0.96 -0.52 2.12 -1.26 -4.93 118.70 115.64 3mqw s GLU 14 Ca 0.56 2.14 -0.22 0.00 0.36 0.00 0.00 54.97 57.81 3mqw s GLU 14 Cb -0.58 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 30.71 3mqw s GLU 14 CO 0.62 -0.34 1.32 0.00 -0.54 0.00 0.00 175.26 176.32 3mqw s ALA 15 N 0.25 2.93 -0.26 6.30 0.00 -1.26 -4.96 121.76 124.76 3mqw s ALA 15 Ca 0.59 -2.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.10 3mqw s ALA 15 Cb -0.38 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.35 3mqw s ALA 15 CO 0.38 -3.37 0.14 0.08 0.00 0.00 0.00 175.76 172.99 3mqw s VAL 16 N 4.28 4.93 -1.32 0.00 1.01 -1.26 -4.88 120.40 123.16 3mqw s VAL 16 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3mqw s VAL 16 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3mqw s VAL 16 CO -0.08 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3mqw n GLY 17 N 4.94 0.65 1.56 4.51 0.00 -1.26 -4.82 105.19 110.76 3mqw n GLY 17 Ca -0.15 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.00 3.96 -2.97 4.61 0.00 -1.26 -4.84 120.51 119.01 3mqw n ALA 18 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 53.44 52.12 3mqw n ALA 18 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.38 0.20 0.23 0.00 -0.85 -1.26 -5.17 117.35 109.12 3mqw s TYR 19 Ca 0.24 -0.56 0.11 0.00 -0.52 0.00 0.00 57.07 56.33 3mqw s TYR 19 Cb 0.20 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 3mqw s TYR 19 CO 0.04 -0.81 -0.16 -1.12 -1.52 0.00 0.00 175.55 171.98 3mqw s SER 20 N -2.94 3.84 0.20 -0.18 0.01 -1.26 -4.69 113.70 108.69 3mqw s SER 20 Ca 0.15 -0.83 -0.10 0.00 1.31 0.00 0.00 55.95 56.47 3mqw s SER 20 Cb 0.01 -0.47 0.19 0.00 0.21 0.00 0.00 66.02 65.97 3mqw s SER 20 CO -0.00 0.07 1.83 1.56 0.41 0.00 0.00 173.24 177.11 3mqw h GLN 21 N 2.59 0.75 -3.10 12.44 4.20 -1.93 -3.41 115.11 126.65 3mqw h GLN 21 Ca -0.44 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.18 3mqw h GLN 21 Cb 1.23 -0.17 -0.14 0.00 0.30 0.00 0.00 27.48 28.71 3mqw h GLN 21 CO 0.56 0.50 0.04 0.00 -0.67 0.00 0.00 178.83 179.25 3mqw s ALA 22 N -6.11 -1.24 -0.06 3.87 0.00 -1.24 -1.08 121.76 115.91 3mqw s ALA 22 Ca -0.13 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.17 3mqw s ALA 22 Cb 0.15 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 3mqw s ALA 22 CO 0.76 -0.64 -0.21 0.42 0.00 0.00 0.00 175.76 176.09 3mqw s ILE 23 N -3.39 1.73 -0.14 0.00 -1.09 -0.26 -1.42 121.20 116.63 3mqw s ILE 23 Ca -0.00 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 3mqw s ILE 23 Cb 0.00 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 39.35 3mqw s ILE 23 CO -0.09 0.49 0.26 -0.63 -1.23 0.00 0.00 174.94 173.73 3mqw s ILE 24 N 0.05 5.32 -0.11 2.92 1.01 0.05 -1.00 121.20 129.44 3mqw s ILE 24 Ca -0.07 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 3mqw s ILE 24 Cb -0.14 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.81 3mqw s ILE 24 CO 0.04 0.46 0.24 0.00 0.00 0.00 0.00 174.94 175.68 3mqw n ASN 26 N 4.60 -0.52 0.00 0.00 3.02 -1.26 -1.58 115.26 119.52 3mqw n ASN 26 Ca -0.19 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3mqw n ASN 26 Cb 0.52 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -2.01 0.79 3.42 7.41 0.00 -1.26 -5.02 105.19 108.51 3mqw n GLY 27 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.15 1.81 -0.21 1.61 -1.94 -0.61 -1.88 119.30 117.93 3mqw s MET 28 Ca 0.00 -1.13 -0.03 0.00 -1.71 0.00 0.00 55.69 52.82 3mqw s MET 28 Cb 0.00 -2.06 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 3mqw s MET 28 CO 0.00 0.50 -0.06 0.08 -0.01 0.00 0.00 175.02 175.53 3mqw s VAL 29 N -0.95 3.25 -0.36 -6.03 1.01 0.12 -0.91 120.40 116.54 3mqw s VAL 29 Ca 0.14 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3mqw s VAL 29 Cb -0.10 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.84 3mqw s VAL 29 CO 0.05 0.44 0.16 -0.31 0.00 0.00 0.00 175.10 175.45 3mqw s TYR 30 N 1.38 3.24 -0.15 5.22 2.02 -0.17 -0.65 117.35 128.24 3mqw s TYR 30 Ca 0.05 -1.10 -0.07 0.00 -0.37 0.00 0.00 57.07 55.58 3mqw s TYR 30 Cb -0.14 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3mqw s TYR 30 CO -0.04 -0.66 0.08 0.00 -1.57 0.00 0.00 175.55 173.36 3mqw n SER 32 N 2.89 0.43 -4.59 0.00 7.64 -0.24 -3.43 113.62 116.33 3mqw n SER 32 Ca -0.18 0.49 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 3mqw n SER 32 Cb 0.53 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 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 -2.32 0.86 0.26 0.23 0.00 -1.26 -4.47 107.32 100.61 3mqw s GLY 33 Ca 0.69 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 3mqw s GLY 33 CO 0.55 3.05 1.10 1.20 0.00 0.00 0.00 173.10 179.01 3mqw s GLN 34 N 5.51 4.64 0.47 2.90 -1.52 0.10 -4.73 119.66 127.02 3mqw s GLN 34 Ca 0.69 1.79 0.06 0.00 -1.95 0.00 0.00 55.36 55.94 3mqw s GLN 34 Cb -0.17 -3.21 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 3mqw s GLN 34 CO 0.31 0.20 0.23 0.96 -0.25 0.00 0.00 175.29 176.74 3mqw s ILE 35 N -1.00 1.94 -0.25 1.08 -4.36 -1.26 -1.38 121.20 115.97 3mqw s ILE 35 Ca 0.45 -1.66 -0.01 0.00 -0.26 0.00 0.00 60.65 59.17 3mqw s ILE 35 Cb -0.31 -2.61 0.13 0.00 1.25 0.00 0.00 42.46 40.92 3mqw s ILE 35 CO 0.40 0.00 2.16 0.61 0.24 0.00 0.00 174.94 178.35 3mqw n GLY 36 N -1.42 3.74 3.77 6.27 0.00 -1.26 -4.51 105.19 111.78 3mqw n GLY 36 Ca -0.04 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.39 4.53 -0.34 0.99 1.43 -1.26 -1.03 118.68 121.61 3mqw s LEU 37 Ca 0.29 1.83 -0.15 0.00 -1.03 0.00 0.00 54.13 55.07 3mqw s LEU 37 Cb 0.21 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3mqw s LEU 37 CO -0.02 0.09 0.36 -0.62 0.23 0.00 0.00 176.35 176.38 3mqw s ASP 38 N -1.33 6.17 0.46 2.29 -1.08 0.16 -4.65 116.67 118.69 3mqw s ASP 38 Ca 0.43 -0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 3mqw s ASP 38 Cb -0.23 -2.19 1.29 0.00 -1.46 0.00 0.00 42.92 40.33 3mqw s ASP 38 CO 0.28 -0.33 1.81 -0.09 0.52 0.00 0.00 175.17 177.36 3mqw h ARG 39 N 8.46 0.21 -0.54 4.34 9.65 -1.86 0.11 114.38 134.76 3mqw h ARG 39 Ca -0.30 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.51 3mqw h ARG 39 Cb 1.14 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 3mqw h ARG 39 CO 0.69 0.14 0.09 0.87 2.80 0.00 0.00 179.97 184.56 3mqw h LYS 40 N 0.22 0.86 0.00 0.20 1.57 -1.93 -3.27 116.57 114.23 3mqw h LYS 40 Ca 0.54 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3mqw h LYS 40 Cb 1.69 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 3mqw h LYS 40 CO -0.15 0.81 -1.78 0.25 -0.57 0.00 0.00 179.45 178.00 3mqw n THR 41 N -4.25 0.13 -1.01 -0.16 -2.24 -0.72 -4.98 114.28 101.06 3mqw n THR 41 Ca 0.04 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3mqw n THR 41 Cb 0.26 0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.64 0.37 3.61 3.38 0.00 0.32 -5.03 105.19 109.49 3mqw n GLY 42 Ca -0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3mqw n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mqw s ASP 43 N -2.05 4.00 0.52 1.61 1.01 -1.24 -4.86 116.67 115.67 3mqw s ASP 43 Ca 0.00 -1.15 -0.22 0.00 0.71 0.00 0.00 52.55 51.88 3mqw s ASP 43 Cb 0.00 -0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.43 3mqw s ASP 43 CO 0.00 -0.31 1.33 0.49 0.21 0.00 0.00 175.17 176.89 3mqw n PHE 44 N -0.94 2.23 0.27 4.23 3.72 -1.26 -0.67 117.46 125.04 3mqw n PHE 44 Ca -0.04 0.44 0.14 0.00 -0.05 0.00 0.00 57.45 57.94 3mqw n PHE 44 Cb 0.64 -2.36 0.75 0.00 -0.94 0.00 0.00 39.48 37.57 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 1.56 1.22 -1.99 4.37 0.00 -1.40 -3.44 119.26 119.58 3mqw h ALA 45 Ca -0.50 -0.09 0.36 0.00 0.00 0.00 0.00 54.91 54.68 3mqw h ALA 45 Cb 1.30 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3mqw h ALA 45 CO 0.57 0.13 0.91 0.41 0.00 0.00 0.00 179.25 181.27 3mqw n GLY 46 N -0.62 0.15 0.53 0.00 0.00 -1.26 -4.94 105.19 99.06 3mqw n GLY 46 Ca -0.02 -1.01 0.14 0.00 0.00 0.00 0.00 46.02 45.13 3mqw n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mqw n LYS 47 N -0.90 1.68 -3.98 1.61 4.76 -1.26 -4.59 118.16 115.48 3mqw n LYS 47 Ca 0.06 -1.07 -0.29 0.00 -2.87 0.00 0.00 58.31 54.14 3mqw n LYS 47 Cb 0.54 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 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 -2.06 5.03 0.36 -0.18 -4.23 -1.26 -5.01 115.64 108.28 3mqw s THR 48 Ca 0.35 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 3mqw s THR 48 Cb 0.21 -3.49 0.27 0.00 1.34 0.00 0.00 72.50 70.83 3mqw s THR 48 CO 0.35 0.05 2.00 -0.29 -0.54 0.00 0.00 174.62 176.19 3mqw h ILE 49 N 2.10 1.11 0.32 2.99 6.09 -1.97 -1.23 117.51 126.94 3mqw h ILE 49 Ca -0.47 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 62.74 3mqw h ILE 49 Cb 1.17 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 3mqw h ILE 49 CO 0.70 0.15 -0.22 -0.08 -3.07 0.00 0.00 178.15 175.63 3mqw h GLU 50 N 0.81 -0.52 -0.50 2.19 4.81 -1.95 0.15 114.58 119.58 3mqw h GLU 50 Ca 0.26 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 3mqw h GLU 50 Cb 0.02 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3mqw h GLU 50 CO -0.07 -0.34 0.06 0.93 -0.73 0.00 0.00 179.01 178.86 3mqw h GLU 51 N -0.54 0.84 -0.56 1.92 5.08 -1.85 -2.20 114.58 117.27 3mqw h GLU 51 Ca -0.03 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3mqw h GLU 51 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3mqw h GLU 51 CO 0.01 0.84 0.03 1.96 -1.00 0.00 0.00 179.01 180.86 3mqw h GLN 52 N 0.71 0.94 -0.40 2.33 4.20 -1.24 -2.05 115.11 119.61 3mqw h GLN 52 Ca 0.15 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3mqw h GLN 52 Cb 0.43 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3mqw h GLN 52 CO 0.01 0.91 0.05 0.77 -0.67 0.00 0.00 178.83 179.91 3mqw h SER 53 N 0.87 0.64 -0.89 1.46 0.02 -0.83 0.15 113.55 114.98 3mqw h SER 53 Ca 0.17 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3mqw h SER 53 Cb 0.48 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3mqw h SER 53 CO 0.02 0.75 0.55 0.11 -1.14 0.00 0.00 176.83 177.13 3mqw h LYS 54 N 0.51 1.20 -0.42 3.45 1.57 -1.32 -1.90 116.57 119.67 3mqw h LYS 54 Ca 0.12 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3mqw h LYS 54 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3mqw h LYS 54 CO 0.01 0.83 -0.07 0.37 -0.57 0.00 0.00 179.45 180.02 3mqw h GLN 55 N 1.22 0.78 -0.43 3.15 5.75 -0.91 -1.88 115.11 122.80 3mqw h GLN 55 Ca 0.32 -0.28 0.07 0.00 -0.15 0.00 0.00 58.65 58.61 3mqw h GLN 55 Cb -0.07 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 3mqw h GLN 55 CO -0.06 0.89 0.05 0.28 -2.65 0.00 0.00 178.83 177.34 3mqw h VAL 56 N 0.61 0.73 -0.21 2.39 2.07 -0.48 0.22 116.25 121.57 3mqw h VAL 56 Ca 0.11 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 3mqw h VAL 56 Cb 0.58 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3mqw h VAL 56 CO 0.03 0.03 -0.46 0.24 0.02 0.00 0.00 177.57 177.44 3mqw h MET 57 N 0.17 0.54 -0.41 1.57 2.86 -1.13 -0.66 114.93 117.88 3mqw h MET 57 Ca 0.21 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3mqw h MET 57 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3mqw h MET 57 CO -0.31 0.89 0.19 1.15 1.06 0.00 0.00 176.91 179.89 3mqw h THR 58 N 0.43 1.18 -0.73 2.22 2.02 -1.02 -2.10 112.91 114.92 3mqw h THR 58 Ca 0.03 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3mqw h THR 58 Cb 0.97 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3mqw h THR 58 CO 0.09 0.19 0.37 0.78 0.37 0.00 0.00 175.52 177.32 3mqw h ASN 59 N 0.51 0.94 -0.55 4.18 2.35 -0.19 -1.57 115.58 121.26 3mqw h ASN 59 Ca 0.14 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3mqw h ASN 59 Cb 0.13 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3mqw h ASN 59 CO -0.02 0.79 0.36 -0.07 -1.65 0.00 0.00 177.43 176.84 3mqw h LEU 60 N 1.02 0.64 -0.53 1.61 3.38 -1.04 -1.31 115.31 119.09 3mqw h LEU 60 Ca 0.25 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3mqw h LEU 60 Cb 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3mqw h LEU 60 CO -0.04 0.48 0.24 0.50 0.09 0.00 0.00 178.44 179.72 3mqw h LYS 61 N 0.75 0.45 -0.24 1.13 3.64 -1.03 0.30 116.57 121.57 3mqw h LYS 61 Ca 0.20 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3mqw h LYS 61 Cb -0.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3mqw h LYS 61 CO -0.04 0.30 0.08 1.88 -2.27 0.00 0.00 179.45 179.39 3mqw h TYR 62 N 0.46 0.14 -0.29 1.91 0.05 -0.83 0.18 116.97 118.60 3mqw h TYR 62 Ca 0.24 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 3mqw h TYR 62 Cb 0.20 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3mqw h TYR 62 CO -0.12 0.06 0.15 0.28 -1.05 0.00 0.00 178.16 177.49 3mqw h VAL 63 N 0.19 1.13 -0.61 -2.88 2.07 -0.83 -1.34 116.25 113.98 3mqw h VAL 63 Ca 0.10 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3mqw h VAL 63 Cb 0.08 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3mqw h VAL 63 CO -0.11 0.13 0.39 -0.07 0.02 0.00 0.00 177.57 177.93 3mqw h LEU 64 N 0.35 0.71 -0.68 2.57 3.38 -0.67 -1.97 115.31 119.00 3mqw h LEU 64 Ca 0.10 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3mqw h LEU 64 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3mqw h LEU 64 CO -0.02 0.53 -0.31 -0.33 0.09 0.00 0.00 178.44 178.40 3mqw h GLU 65 N 0.82 0.68 -0.89 1.13 5.08 -0.86 0.14 114.58 120.68 3mqw h GLU 65 Ca 0.22 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3mqw h GLU 65 Cb -0.07 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3mqw h GLU 65 CO -0.05 0.91 0.58 1.49 -1.00 0.00 0.00 179.01 180.94 3mqw h GLU 66 N 0.58 1.03 0.00 2.33 4.57 -0.97 -2.36 114.58 119.77 3mqw h GLU 66 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3mqw h GLU 66 Cb 0.82 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3mqw h GLU 66 CO 0.07 0.68 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 3mqw n ALA 67 N -2.40 1.95 -0.08 2.92 0.00 -0.76 -4.86 120.51 117.28 3mqw n ALA 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3mqw n ALA 67 Cb 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3mqw n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqw n GLY 68 N 0.62 0.86 0.00 0.00 0.00 -0.89 -5.03 105.19 100.76 3mqw n GLY 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.74 -3.73 1.61 2.88 0.44 -4.82 113.62 110.74 3mqw n SER 69 Ca 0.00 -0.05 -0.03 0.00 -1.33 0.00 0.00 58.87 57.46 3mqw n SER 69 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.30 -0.17 0.31 -3.46 1.04 -1.26 -3.84 113.70 106.02 3mqw s SER 70 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3mqw s SER 70 Cb 0.00 0.46 0.51 0.00 0.10 0.00 0.00 66.02 67.09 3mqw s SER 70 CO 0.00 -0.84 1.94 0.24 0.98 0.00 0.00 173.24 175.56 3mqw h MET 71 N 2.00 0.89 0.00 4.02 2.86 -1.94 -1.87 114.93 120.89 3mqw h MET 71 Ca -0.24 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3mqw h MET 71 Cb 1.23 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3mqw h MET 71 CO 0.26 0.66 0.00 -0.44 1.06 0.00 0.00 176.91 178.45 3mqw h ASP 72 N 0.90 0.00 -0.54 1.22 3.32 -1.96 -2.46 116.42 116.91 3mqw h ASP 72 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3mqw h ASP 72 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3mqw h ASP 72 CO -0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.77 3mqw n LYS 73 N -2.63 2.47 -2.43 3.56 5.02 -0.71 -4.95 118.16 118.49 3mqw n LYS 73 Ca 0.01 -2.26 -0.42 0.00 -2.02 0.00 0.00 58.31 53.62 3mqw n LYS 73 Cb 0.23 -1.51 -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 -1.29 3.94 -0.22 -0.18 1.01 -0.93 -1.54 120.40 121.19 3mqw s VAL 74 Ca 0.42 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.90 3mqw s VAL 74 Cb 0.23 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 3mqw s VAL 74 CO 0.31 0.15 -0.05 1.33 0.00 0.00 0.00 175.10 176.84 3mqw n VAL 75 N 3.48 1.51 -3.70 2.92 0.24 0.64 -4.52 118.33 118.90 3mqw n VAL 75 Ca 0.07 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.61 3mqw n VAL 75 Cb 0.46 -1.25 -0.10 0.00 -1.47 0.00 0.00 33.84 31.48 3mqw n VAL 75 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3mqw s LYS 76 N -2.52 0.47 0.31 7.34 2.47 -1.04 -1.47 119.74 125.31 3mqw s LYS 76 Ca -0.27 0.73 0.11 0.00 -1.56 0.00 0.00 55.97 54.98 3mqw s LYS 76 Cb 0.08 0.12 -0.06 0.00 -1.46 0.00 0.00 37.83 36.51 3mqw s LYS 76 CO 0.68 -0.11 -0.15 0.95 0.16 0.00 0.00 175.35 176.88 3mqw s THR 77 N 0.85 2.35 -0.05 3.43 -4.23 0.12 -0.87 115.64 117.23 3mqw s THR 77 Ca -0.05 -2.30 0.03 0.00 -1.18 0.00 0.00 61.69 58.18 3mqw s THR 77 Cb -0.06 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.32 3mqw s THR 77 CO -0.07 -0.30 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.70 3mqw s THR 78 N -2.57 1.10 -0.20 3.99 2.01 -0.49 -2.10 115.64 117.38 3mqw s THR 78 Ca 0.31 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.85 3mqw s THR 78 Cb -0.01 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.54 3mqw s THR 78 CO 0.16 0.34 -0.13 0.00 -0.69 0.00 0.00 174.62 174.30 3mqw s LEU 80 N 1.32 3.06 0.09 0.00 1.02 0.00 -1.91 118.68 122.27 3mqw s LEU 80 Ca -0.01 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.01 3mqw s LEU 80 Cb -0.16 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3mqw s LEU 80 CO -0.09 0.16 -0.14 -0.76 0.02 0.00 0.00 176.35 175.53 3mqw s LEU 81 N 0.43 2.84 0.44 1.79 2.01 -0.44 -0.84 118.68 124.91 3mqw s LEU 81 Ca -0.06 -0.44 0.24 0.00 0.01 0.00 0.00 54.13 53.88 3mqw s LEU 81 Cb -0.15 -1.66 0.51 0.00 0.01 0.00 0.00 46.19 44.89 3mqw s LEU 81 CO 0.04 0.20 1.66 0.00 1.01 0.00 0.00 176.35 179.26 3mqw h ALA 82 N 3.91 0.96 -2.78 4.21 0.00 -1.42 0.37 119.26 124.50 3mqw h ALA 82 Ca -0.49 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 3mqw h ALA 82 Cb 1.16 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 3mqw h ALA 82 CO 0.49 0.11 -0.54 0.34 0.00 0.00 0.00 179.25 179.65 3mqw s ASP 83 N -6.16 0.48 0.58 0.00 -1.08 -1.26 -4.73 116.67 104.49 3mqw s ASP 83 Ca 0.05 0.48 0.27 0.00 -0.52 0.00 0.00 52.55 52.83 3mqw s ASP 83 Cb 0.06 0.68 1.64 0.00 -1.46 0.00 0.00 42.92 43.83 3mqw s ASP 83 CO 0.66 -0.25 2.14 -0.29 0.52 0.00 0.00 175.17 177.95 3mqw h ILE 84 N 6.29 0.58 0.00 4.11 6.09 -1.94 -0.79 117.51 131.85 3mqw h ILE 84 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3mqw h ILE 84 Cb 1.12 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.31 3mqw h ILE 84 CO 0.16 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.35 3mqw h LYS 85 N 0.00 0.00 -0.08 2.19 1.57 -2.00 -1.90 116.57 116.35 3mqw h LYS 85 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3mqw h LYS 85 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3mqw h LYS 85 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3mqw n ASP 86 N -2.84 2.00 -0.26 0.86 8.00 -0.30 -4.41 116.55 119.61 3mqw n ASP 86 Ca -0.02 -1.69 -0.06 0.00 0.71 0.00 0.00 54.79 53.74 3mqw n ASP 86 Cb 0.11 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 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 2.99 1.17 -0.23 1.24 3.57 -1.47 -1.70 116.94 122.51 3mqw h PHE 87 Ca 0.00 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3mqw h PHE 87 Cb 0.64 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3mqw h PHE 87 CO 0.04 0.92 0.11 0.78 -2.23 0.00 0.00 178.31 177.93 3mqw h GLY 88 N 1.12 0.36 0.95 2.40 0.00 -1.81 -0.28 103.07 105.81 3mqw h GLY 88 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3mqw h GLY 88 CO -0.01 0.17 0.14 -2.08 0.00 0.00 0.00 176.54 174.76 3mqw h VAL 89 N 0.25 1.22 -0.45 4.60 2.07 -1.83 -2.21 116.25 119.90 3mqw h VAL 89 Ca 0.08 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3mqw h VAL 89 Cb 0.12 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3mqw h VAL 89 CO -0.01 0.27 -0.00 0.15 0.02 0.00 0.00 177.57 177.99 3mqw h PHE 90 N 0.58 -0.03 -0.46 1.57 3.57 -1.23 -2.75 116.94 118.19 3mqw h PHE 90 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3mqw h PHE 90 Cb 0.27 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3mqw h PHE 90 CO 0.01 -0.10 0.11 -0.97 -2.23 0.00 0.00 178.31 175.13 3mqw h ASN 91 N 0.11 0.64 -0.41 0.41 -1.24 -0.67 0.14 115.58 114.55 3mqw h ASN 91 Ca 0.23 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.15 3mqw h ASN 91 Cb 0.33 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 3mqw h ASN 91 CO -0.38 0.64 0.25 1.23 -1.29 0.00 0.00 177.43 177.88 3mqw h GLY 92 N 0.88 0.57 0.89 1.57 0.00 -1.14 -0.52 103.07 105.33 3mqw h GLY 92 Ca 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 3mqw h GLY 92 CO -0.00 0.17 -0.26 -2.22 0.00 0.00 0.00 176.54 174.23 3mqw h ILE 93 N 0.50 1.32 -0.27 2.60 2.04 -1.12 -1.93 117.51 120.65 3mqw h ILE 93 Ca 0.16 -1.44 0.03 0.00 1.00 0.00 0.00 64.86 64.62 3mqw h ILE 93 Cb -0.01 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3mqw h ILE 93 CO -0.07 0.45 0.07 0.22 0.00 0.00 0.00 178.15 178.82 3mqw h TYR 94 N 0.28 0.12 -0.58 1.37 3.20 -0.72 -1.42 116.97 119.22 3mqw h TYR 94 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3mqw h TYR 94 Cb 0.82 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3mqw h TYR 94 CO 0.08 0.04 0.35 0.00 -1.64 0.00 0.00 178.16 176.99 3mqw h ALA 95 N 1.19 0.73 -0.84 1.82 0.00 -0.99 -2.28 119.26 118.89 3mqw h ALA 95 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mqw h ALA 95 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3mqw h ALA 95 CO -0.15 0.21 0.51 1.49 0.00 0.00 0.00 179.25 181.31 3mqw h GLU 96 N 0.78 1.13 -0.34 0.00 4.22 -1.16 -1.39 114.58 117.81 3mqw h GLU 96 Ca 0.21 -0.10 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 3mqw h GLU 96 Cb -0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3mqw h GLU 96 CO -0.04 0.79 -0.21 0.00 -2.18 0.00 0.00 179.01 177.37 3mqw h ALA 97 N 1.41 0.99 0.00 2.92 0.00 -0.78 -3.08 119.26 120.72 3mqw h ALA 97 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mqw h ALA 97 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3mqw h ALA 97 CO -0.06 0.60 -0.46 1.19 0.00 0.00 0.00 179.25 180.52 3mqw n PHE 98 N -4.13 0.25 0.00 0.00 3.72 -0.90 -5.02 117.46 111.38 3mqw n PHE 98 Ca 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3mqw n PHE 98 Cb 0.41 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.43 3.85 0.03 1.37 0.00 -0.55 -1.52 105.19 109.81 3mqw n GLY 99 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3mqw n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mqw n ASN 100 N 6.71 0.22 -4.76 1.61 3.02 -1.26 -4.88 115.26 115.93 3mqw n ASN 100 Ca 0.00 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 3mqw n ASN 100 Cb 0.00 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 3mqw n ASN 100 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mqw s HIS 101 N -2.84 3.85 -0.46 3.10 2.46 -0.57 -5.02 115.29 115.79 3mqw s HIS 101 Ca 0.18 1.63 0.03 0.00 0.47 0.00 0.00 55.06 57.37 3mqw s HIS 101 Cb 0.19 -2.85 0.15 0.00 -0.13 0.00 0.00 32.58 29.94 3mqw s HIS 101 CO 0.55 0.39 0.28 0.15 -2.47 0.00 0.00 174.74 173.64 3mqw s LYS 102 N -0.62 1.32 0.98 2.88 1.02 -1.26 -4.82 119.74 119.23 3mqw s LYS 102 Ca 0.39 -2.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.13 3mqw s LYS 102 Cb -0.23 -2.25 0.18 0.00 -0.52 0.00 0.00 37.83 35.02 3mqw s LYS 102 CO 0.26 -1.22 1.09 -2.14 -0.92 0.00 0.00 175.35 172.42 3mqw s PRO 103 N 0.14 0.54 0.70 -1.68 0.02 -1.26 -5.00 135.00 128.45 3mqw s PRO 103 Ca 0.21 1.01 -0.16 0.00 0.02 0.00 0.00 61.00 62.09 3mqw s PRO 103 Cb -0.17 -1.71 0.02 0.00 0.02 0.00 0.00 34.50 32.66 3mqw s PRO 103 CO -0.05 -2.79 1.20 0.00 -0.33 0.00 0.00 177.00 175.03 3mqw s ALA 104 N -2.72 2.24 -0.09 -1.55 0.00 -0.54 -4.88 121.76 114.21 3mqw s ALA 104 Ca 0.66 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.32 3mqw s ALA 104 Cb -0.21 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3mqw s ALA 104 CO 0.59 -1.68 0.40 0.50 0.00 0.00 0.00 175.76 175.58 3mqw s ARG 105 N -3.83 0.61 -0.00 0.00 3.52 -1.26 -0.70 118.95 117.29 3mqw s ARG 105 Ca 0.74 0.26 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 3mqw s ARG 105 Cb -0.28 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3mqw s ARG 105 CO 0.43 -0.13 -0.07 0.00 -0.81 0.00 0.00 175.30 174.72 3mqw s ALA 106 N -0.49 0.58 0.05 6.12 0.00 -0.89 -4.97 121.76 122.16 3mqw s ALA 106 Ca -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3mqw s ALA 106 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3mqw s ALA 106 CO 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.83 3mqw s PHE 108 N -1.52 -0.31 -0.23 0.00 -0.12 -0.80 -4.97 117.98 110.03 3mqw s PHE 108 Ca -0.07 0.07 -0.16 0.00 -0.05 0.00 0.00 56.93 56.71 3mqw s PHE 108 Cb -0.09 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3mqw s PHE 108 CO 0.00 -0.78 0.41 0.00 -0.05 0.00 0.00 175.22 174.80 3mqw s ALA 109 N -3.41 3.57 0.61 1.99 0.00 -1.26 -1.32 121.76 121.93 3mqw s ALA 109 Ca 0.07 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 3mqw s ALA 109 Cb -0.02 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3mqw s ALA 109 CO -0.05 -0.50 1.03 0.00 0.00 0.00 0.00 175.76 176.24 3mqw s ALA 110 N 1.74 3.05 0.29 0.00 0.00 0.13 -4.90 121.76 122.07 3mqw s ALA 110 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 3mqw s ALA 110 Cb -0.15 -3.10 0.41 0.00 0.00 0.00 0.00 23.12 20.28 3mqw s ALA 110 CO 0.09 -0.66 1.89 0.00 0.00 0.00 0.00 175.76 177.08 3mqw h ALA 111 N -0.11 1.29 -2.47 0.00 0.00 -1.89 -3.43 119.26 112.65 3mqw h ALA 111 Ca -0.45 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.41 3mqw h ALA 111 Cb 1.19 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 3mqw h ALA 111 CO 0.61 0.55 0.42 0.00 0.00 0.00 0.00 179.25 180.83 3mqw s ALA 112 N -5.54 -1.74 0.27 0.00 0.00 -1.26 -5.02 121.76 108.47 3mqw s ALA 112 Ca -0.11 0.77 0.11 0.00 0.00 0.00 0.00 51.96 52.73 3mqw s ALA 112 Cb 0.16 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3mqw s ALA 112 CO 0.80 -0.75 -0.18 -0.51 0.00 0.00 0.00 175.76 175.11 3mqw s LEU 113 N -2.60 2.59 0.41 0.00 1.43 -1.26 -5.03 118.68 114.22 3mqw s LEU 113 Ca 0.05 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 51.85 3mqw s LEU 113 Cb -0.01 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 3mqw s LEU 113 CO -0.08 -0.01 1.34 -2.65 0.23 0.00 0.00 176.35 175.18 3mqw n PRO 114 N -0.59 2.13 -1.43 1.29 -0.02 -1.26 -2.31 135.00 132.81 3mqw n PRO 114 Ca -0.05 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 62.03 3mqw n PRO 114 Cb 0.60 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.10 -1.17 -1.40 -0.52 5.02 -1.26 -1.77 118.16 117.16 3mqw n LYS 115 Ca 0.05 1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 57.22 3mqw n LYS 115 Cb 0.39 -5.19 -0.06 0.00 -0.02 0.00 0.00 35.03 30.16 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 -0.88 1.40 3.65 0.72 0.00 -0.98 -4.99 105.19 104.11 3mqw n GLY 116 Ca -0.15 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 1.23 0.44 0.49 4.61 0.00 -0.73 -4.92 120.51 121.64 3mqw n ALA 117 Ca -0.13 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.41 3mqw n ALA 117 Cb 0.44 -2.17 0.05 0.00 0.00 0.00 0.00 19.45 17.77 3mqw n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mqw n LEU 118 N -1.15 0.64 -3.62 0.00 4.77 -1.26 -4.38 117.00 112.01 3mqw n LEU 118 Ca 0.15 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 3mqw n LEU 118 Cb 0.48 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3mqw n LEU 118 CO 0.48 -0.01 0.34 0.54 -1.33 0.00 0.00 177.39 177.41 3mqw s VAL 119 N -3.22 0.01 -0.02 4.08 0.11 -1.26 -1.25 120.40 118.84 3mqw s VAL 119 Ca 0.03 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 3mqw s VAL 119 Cb 0.14 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3mqw s VAL 119 CO 0.78 -0.02 0.04 -0.70 -3.33 0.00 0.00 175.10 171.87 3mqw s GLU 120 N -0.34 0.02 -0.06 1.54 2.12 -0.02 -4.30 118.70 117.66 3mqw s GLU 120 Ca -0.05 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.42 3mqw s GLU 120 Cb -0.03 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.28 3mqw s GLU 120 CO 0.04 -0.08 -0.05 0.08 -0.54 0.00 0.00 175.26 174.71 3mqw s VAL 121 N 0.54 0.63 0.42 3.70 1.01 -0.48 -0.82 120.40 125.40 3mqw s VAL 121 Ca -0.04 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.87 3mqw s VAL 121 Cb -0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.59 3mqw s VAL 121 CO -0.02 0.26 0.08 -1.83 0.00 0.00 0.00 175.10 173.59 3mqw s GLU 122 N 1.15 2.07 0.15 2.72 -1.05 -0.50 -0.73 118.70 122.51 3mqw s GLU 122 Ca -0.07 -2.02 -0.24 0.00 -0.15 0.00 0.00 54.97 52.49 3mqw s GLU 122 Cb -0.14 -1.77 0.06 0.00 -0.44 0.00 0.00 34.13 31.84 3mqw s GLU 122 CO -0.01 -0.09 0.76 0.00 0.95 0.00 0.00 175.26 176.87 3mqw s ILE 124 N -3.57 2.25 0.28 0.00 2.07 -0.05 -0.84 121.20 121.35 3mqw s ILE 124 Ca 0.06 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.32 3mqw s ILE 124 Cb -0.02 -1.82 -0.04 0.00 0.13 0.00 0.00 42.46 40.70 3mqw s ILE 124 CO -0.04 0.57 0.14 0.00 -1.91 0.00 0.00 174.94 173.70 3mqw s ALA 125 N -0.34 1.80 0.29 1.50 0.00 0.17 -0.26 121.76 124.91 3mqw s ALA 125 Ca 0.02 -1.78 0.10 0.00 0.00 0.00 0.00 51.96 50.30 3mqw s ALA 125 Cb -0.12 1.16 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 3mqw s ALA 125 CO 0.02 -0.51 -0.06 -0.08 0.00 0.00 0.00 175.76 175.14 3mqw s THR 126 N -3.71 3.01 -2.11 0.00 -1.32 -0.59 0.16 115.64 111.08 3mqw s THR 126 Ca 0.37 -2.07 0.31 0.00 -1.21 0.00 0.00 61.69 59.09 3mqw s THR 126 Cb 0.06 -2.68 0.83 0.00 -1.51 0.00 0.00 72.50 69.20 3mqw s THR 126 CO 0.16 -0.35 2.12 0.18 -2.21 0.00 0.00 174.62 174.52