#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qws s GLU 2 N 0.00 4.43 -0.78 2.12 0.41 -0.37 -4.97 118.70 119.54 2qws s GLU 2 Ca 0.00 1.80 -0.21 0.00 -0.41 0.00 0.00 54.97 56.15 2qws s GLU 2 Cb 0.00 -3.33 0.09 0.00 -1.78 0.00 0.00 34.13 29.11 2qws s GLU 2 CO 0.00 -0.25 1.05 -1.01 -0.49 0.00 0.00 175.26 174.56 2qws s HIS 3 N 0.97 2.83 -0.03 1.61 3.76 -1.26 -4.52 115.29 118.65 2qws s HIS 3 Ca 0.59 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 54.60 2qws s HIS 3 Cb -0.30 -4.31 0.03 0.00 1.11 0.00 0.00 32.58 29.11 2qws s HIS 3 CO 0.30 -1.61 0.06 0.08 -0.85 0.00 0.00 174.74 172.72 2qws s VAL 4 N 3.59 -0.07 0.03 -0.90 1.01 -1.26 -5.15 120.40 117.66 2qws s VAL 4 Ca 0.28 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 2qws s VAL 4 Cb -0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 2qws s VAL 4 CO 0.01 0.10 0.42 0.00 0.00 0.00 0.00 175.10 175.63 2qws s ALA 5 N 1.22 3.69 0.24 5.51 0.00 -1.26 -4.69 121.76 126.47 2qws s ALA 5 Ca -0.08 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2qws s ALA 5 Cb -0.13 -2.37 -0.12 0.00 0.00 0.00 0.00 23.12 20.51 2qws s ALA 5 CO -0.04 0.50 1.66 0.12 0.00 0.00 0.00 175.76 178.01 2qws s PHE 6 N -1.20 2.86 0.00 0.00 2.19 -1.26 -2.10 117.98 118.47 2qws s PHE 6 Ca 0.27 0.53 0.00 0.00 0.33 0.00 0.00 56.93 58.06 2qws s PHE 6 Cb -0.16 -4.10 0.00 0.00 -1.31 0.00 0.00 43.02 37.45 2qws s PHE 6 CO 0.15 -3.98 0.00 0.41 1.83 0.00 0.00 175.22 173.63 2qws n GLY 7 N 3.28 0.76 3.73 13.12 0.00 -1.26 -5.01 105.19 119.81 2qws n GLY 7 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2qws n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qws n SER 8 N 0.00 3.87 0.29 1.61 7.64 -0.89 -4.88 113.62 121.26 2qws n SER 8 Ca 0.00 1.10 0.15 0.00 1.01 0.00 0.00 58.87 61.13 2qws n SER 8 Cb 0.00 -1.57 0.90 0.00 -1.01 0.00 0.00 64.21 62.53 2qws n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qws h GLU 9 N 5.77 0.00 -0.33 1.43 4.39 -1.95 -2.44 114.58 121.45 2qws h GLU 9 Ca -0.45 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.13 2qws h GLU 9 Cb 1.22 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2qws h GLU 9 CO 0.87 0.00 -0.01 -0.40 -1.16 0.00 0.00 179.01 178.31 2qws n ASP 10 N -3.87 3.08 -0.28 1.42 5.75 -1.26 -4.78 116.55 116.61 2qws n ASP 10 Ca -0.03 -3.45 0.15 0.00 -0.01 0.00 0.00 54.79 51.45 2qws n ASP 10 Cb 0.09 -0.60 0.42 0.00 -1.03 0.00 0.00 41.12 40.00 2qws n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2qws h ILE 11 N 1.28 0.73 -0.36 2.12 2.10 -1.81 -2.19 117.51 119.39 2qws h ILE 11 Ca 0.15 -0.20 -0.04 0.00 1.08 0.00 0.00 64.86 65.85 2qws h ILE 11 Cb 1.61 0.10 -0.02 0.00 -1.09 0.00 0.00 36.82 37.42 2qws h ILE 11 CO 0.34 0.11 0.05 1.05 -1.08 0.00 0.00 178.15 178.62 2qws h GLU 12 N 0.58 0.54 -0.14 2.19 9.09 -1.86 -1.67 114.58 123.31 2qws h GLU 12 Ca 0.49 -0.10 -0.07 0.00 0.05 0.00 0.00 59.36 59.73 2qws h GLU 12 Cb 0.97 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.98 2qws h GLU 12 CO -0.23 0.53 -0.19 -0.91 0.05 0.00 0.00 179.01 178.26 2qws h ASN 13 N 0.53 0.41 -0.69 3.06 4.21 -1.79 -2.82 115.58 118.48 2qws h ASN 13 Ca 0.12 -0.51 -0.02 0.00 1.21 0.00 0.00 56.30 57.10 2qws h ASN 13 Cb 0.26 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 2qws h ASN 13 CO 0.00 0.84 0.36 0.74 -1.29 0.00 0.00 177.43 178.08 2qws h THR 14 N -0.01 1.22 0.00 2.81 2.02 -1.41 -2.85 112.91 114.69 2qws h THR 14 Ca 0.02 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2qws h THR 14 Cb 0.74 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2qws h THR 14 CO 0.04 0.25 0.00 0.18 0.37 0.00 0.00 175.52 176.36 2qws n LEU 15 N -4.48 0.34 0.24 2.58 4.32 -0.64 -3.34 117.00 116.01 2qws n LEU 15 Ca 0.05 0.54 0.09 0.00 -0.02 0.00 0.00 56.01 56.68 2qws n LEU 15 Cb 0.10 -0.45 0.61 0.00 -1.62 0.00 0.00 43.42 42.06 2qws n LEU 15 CO 0.38 -0.17 0.92 0.00 -1.22 0.00 0.00 177.39 177.31 2qws h ALA 16 N 2.68 1.46 -0.00 -1.18 0.00 -1.24 -2.47 119.26 118.51 2qws h ALA 16 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qws h ALA 16 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qws h ALA 16 CO 0.00 0.21 -0.22 0.36 0.00 0.00 0.00 179.25 179.60 2qws n LYS 17 N -3.96 0.26 -3.30 0.00 2.85 -1.21 -4.91 118.16 107.89 2qws n LYS 17 Ca -0.02 -0.10 -0.39 0.00 -1.05 0.00 0.00 58.31 56.75 2qws n LYS 17 Cb 0.25 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.08 2qws n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2qws s MET 18 N -2.81 4.17 0.47 -1.58 -1.94 -0.93 -5.06 119.30 111.61 2qws s MET 18 Ca 0.18 0.69 0.07 0.00 -1.71 0.00 0.00 55.69 54.92 2qws s MET 18 Cb 0.19 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.82 2qws s MET 18 CO 0.57 0.63 0.64 0.16 -0.01 0.00 0.00 175.02 177.01 2qws s ASP 19 N -1.05 5.48 0.00 3.03 3.84 -1.26 -4.88 116.67 121.83 2qws s ASP 19 Ca 0.28 -0.45 0.01 0.00 -0.00 0.00 0.00 52.55 52.39 2qws s ASP 19 Cb -0.19 -0.49 0.04 0.00 -1.38 0.00 0.00 42.92 40.89 2qws s ASP 19 CO 0.18 -0.94 0.30 -0.90 -0.00 0.00 0.00 175.17 173.81 2qws n ASP 20 N -2.00 0.00 -0.10 2.11 5.75 -1.26 -1.52 116.55 119.52 2qws n ASP 20 Ca 0.10 -0.47 -0.13 0.00 -0.01 0.00 0.00 54.79 54.27 2qws n ASP 20 Cb 0.60 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.58 2qws n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qws n GLY 21 N -0.28 -0.42 0.17 6.12 0.00 -1.26 -4.25 105.19 105.27 2qws n GLY 21 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.91 2qws n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qws h GLN 22 N 0.00 0.00 -0.32 1.61 4.20 -1.64 -3.17 115.11 115.79 2qws h GLN 22 Ca -0.48 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 2qws h GLN 22 Cb 1.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 2qws h GLN 22 CO -0.05 0.28 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.27 2qws h LEU 23 N 0.00 0.49 0.00 1.46 3.38 -1.56 -1.95 115.31 117.13 2qws h LEU 23 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qws h LEU 23 Cb 1.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2qws h LEU 23 CO 0.04 0.59 0.00 0.47 0.09 0.00 0.00 178.44 179.63 2qws n ASP 24 N -4.25 0.00 -0.94 -0.43 8.00 -1.20 -2.35 116.55 115.38 2qws n ASP 24 Ca 0.01 0.23 0.12 0.00 0.71 0.00 0.00 54.79 55.86 2qws n ASP 24 Cb 0.27 -0.34 0.24 0.00 -0.02 0.00 0.00 41.12 41.27 2qws n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qws n GLY 25 N -0.37 1.14 3.82 0.44 0.00 -0.73 -4.67 105.19 104.82 2qws n GLY 25 Ca 0.04 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2qws n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qws s LEU 26 N -1.67 3.58 0.00 0.99 1.43 -0.99 -1.23 118.68 120.79 2qws s LEU 26 Ca 0.35 1.74 0.31 0.00 -1.03 0.00 0.00 54.13 55.50 2qws s LEU 26 Cb 0.21 -4.53 1.64 0.00 0.03 0.00 0.00 46.19 43.54 2qws s LEU 26 CO 0.30 -0.92 2.08 0.00 0.23 0.00 0.00 176.35 178.05 2qws n ALA 27 N -1.74 2.66 -2.15 4.21 0.00 -1.26 -4.76 120.51 117.46 2qws n ALA 27 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2qws n ALA 27 Cb 0.53 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 2qws n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qws s PHE 28 N -2.06 0.88 0.38 0.00 -0.12 -1.26 -5.04 117.98 110.76 2qws s PHE 28 Ca 0.43 -1.23 -0.25 0.00 -0.05 0.00 0.00 56.93 55.83 2qws s PHE 28 Cb 0.22 -0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.03 2qws s PHE 28 CO 0.37 -0.51 1.11 0.20 -0.05 0.00 0.00 175.22 176.35 2qws s GLY 29 N -3.06 2.85 -0.06 1.99 0.00 0.42 -4.63 107.32 104.83 2qws s GLY 29 Ca 0.24 0.86 -0.03 0.00 0.00 0.00 0.00 44.72 45.80 2qws s GLY 29 CO 0.02 1.35 0.13 0.00 0.00 0.00 0.00 173.10 174.61 2qws s ALA 30 N -1.47 -0.23 -0.03 3.20 0.00 -1.26 -1.14 121.76 120.83 2qws s ALA 30 Ca 0.56 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.18 2qws s ALA 30 Cb -0.28 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 2qws s ALA 30 CO 0.35 -0.15 -0.12 0.42 0.00 0.00 0.00 175.76 176.25 2qws s ILE 31 N 1.11 1.04 -0.14 0.00 1.01 -0.06 -1.72 121.20 122.45 2qws s ILE 31 Ca -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2qws s ILE 31 Cb -0.11 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2qws s ILE 31 CO -0.05 0.31 -0.11 -1.58 0.00 0.00 0.00 174.94 173.50 2qws s GLN 32 N 0.03 3.41 0.20 2.79 0.74 -0.43 -0.72 119.66 125.69 2qws s GLN 32 Ca -0.01 -0.66 0.11 0.00 0.05 0.00 0.00 55.36 54.84 2qws s GLN 32 Cb -0.09 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 2qws s GLN 32 CO 0.01 0.16 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.20 2qws s LEU 33 N 0.49 2.58 0.00 3.68 1.43 0.71 -0.43 118.68 127.14 2qws s LEU 33 Ca -0.08 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2qws s LEU 33 Cb -0.15 -1.27 0.15 0.00 0.03 0.00 0.00 46.19 44.94 2qws s LEU 33 CO 0.04 0.10 1.01 -0.90 0.23 0.00 0.00 176.35 176.84 2qws n ASP 34 N 0.07 1.08 0.22 2.29 5.68 -0.50 -0.62 116.55 124.78 2qws n ASP 34 Ca -0.11 -1.98 0.15 0.00 -0.50 0.00 0.00 54.79 52.35 2qws n ASP 34 Cb 0.56 -0.68 0.77 0.00 -1.14 0.00 0.00 41.12 40.63 2qws n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2qws h GLY 35 N -0.77 0.00 -0.45 6.12 0.00 -1.90 -1.70 103.07 104.37 2qws h GLY 35 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2qws h GLY 35 CO 0.33 0.00 -0.42 1.22 0.00 0.00 0.00 176.54 177.67 2qws n ASP 36 N -2.58 1.57 0.00 0.19 8.00 -1.26 -4.95 116.55 117.52 2qws n ASP 36 Ca -0.01 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2qws n ASP 36 Cb 0.10 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2qws n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qws n GLY 37 N 1.40 0.85 3.75 0.44 0.00 -0.64 -4.91 105.19 106.08 2qws n GLY 37 Ca 0.10 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2qws n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qws s ASN 38 N -2.01 7.62 -0.18 1.61 0.01 -1.26 -0.79 114.94 119.93 2qws s ASN 38 Ca 0.00 1.91 -0.29 0.00 -0.71 0.00 0.00 52.86 53.77 2qws s ASN 38 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2qws s ASN 38 CO 0.00 0.15 1.04 -0.63 -1.51 0.00 0.00 177.10 176.15 2qws s ILE 39 N -1.10 4.70 -0.21 0.60 1.01 -0.14 -1.41 121.20 124.65 2qws s ILE 39 Ca 0.41 2.02 0.11 0.00 0.00 0.00 0.00 60.65 63.19 2qws s ILE 39 Cb -0.26 -4.30 -0.21 0.00 0.01 0.00 0.00 42.46 37.71 2qws s ILE 39 CO 0.31 -0.11 -0.04 0.18 0.00 0.00 0.00 174.94 175.29 2qws n LEU 40 N 5.83 1.12 -3.84 2.97 4.77 0.43 -0.45 117.00 127.82 2qws n LEU 40 Ca 0.11 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2qws n LEU 40 Cb 0.47 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2qws n LEU 40 CO 0.52 0.64 -0.13 -1.10 -1.33 0.00 0.00 177.39 175.98 2qws s GLN 41 N -2.47 0.46 -0.26 3.23 -0.21 -1.14 -4.91 119.66 114.36 2qws s GLN 41 Ca -0.18 -0.23 -0.05 0.00 0.02 0.00 0.00 55.36 54.91 2qws s GLN 41 Cb 0.07 0.20 0.13 0.00 1.00 0.00 0.00 33.01 34.41 2qws s GLN 41 CO 0.70 -0.11 0.51 -0.47 -2.12 0.00 0.00 175.29 173.80 2qws s TYR 42 N -1.08 -1.14 0.63 0.91 6.14 -1.26 -1.31 117.35 120.25 2qws s TYR 42 Ca -0.12 1.63 -0.03 0.00 0.64 0.00 0.00 57.07 59.19 2qws s TYR 42 Cb -0.06 0.43 0.05 0.00 0.42 0.00 0.00 41.96 42.80 2qws s TYR 42 CO 0.02 -0.67 0.90 0.54 0.64 0.00 0.00 175.55 176.98 2qws s ASN 43 N 2.73 5.03 0.22 4.32 4.22 -0.70 -4.79 114.94 125.97 2qws s ASN 43 Ca 0.06 0.25 -0.10 0.00 -2.14 0.00 0.00 52.86 50.93 2qws s ASN 43 Cb -0.13 -1.00 0.18 0.00 1.28 0.00 0.00 41.25 41.57 2qws s ASN 43 CO -0.17 -1.39 1.89 0.00 -2.04 0.00 0.00 177.10 175.39 2qws h ALA 44 N -0.29 1.01 -0.75 3.54 0.00 -1.84 -2.52 119.26 118.40 2qws h ALA 44 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qws h ALA 44 Cb 1.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2qws h ALA 44 CO 0.57 0.40 0.47 0.00 0.00 0.00 0.00 179.25 180.69 2qws h ALA 45 N 1.29 1.41 -0.49 0.00 0.00 -1.83 -0.91 119.26 118.73 2qws h ALA 45 Ca 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2qws h ALA 45 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2qws h ALA 45 CO -0.07 0.52 -0.06 1.49 0.00 0.00 0.00 179.25 181.13 2qws h GLU 46 N 1.03 0.91 -0.30 0.00 4.57 -1.72 -2.38 114.58 116.69 2qws h GLU 46 Ca 0.27 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2qws h GLU 46 Cb -0.07 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 2qws h GLU 46 CO -0.05 0.97 0.10 0.78 -1.18 0.00 0.00 179.01 179.63 2qws h GLY 47 N 0.77 0.45 1.63 1.92 0.00 -0.98 -1.02 103.07 105.84 2qws h GLY 47 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2qws h GLY 47 CO 0.04 0.20 -0.39 -0.55 0.00 0.00 0.00 176.54 175.84 2qws h ASP 48 N 0.42 0.44 -0.04 0.19 3.32 -0.81 0.16 116.42 120.10 2qws h ASP 48 Ca 0.10 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 56.78 2qws h ASP 48 Cb 0.13 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qws h ASP 48 CO -0.01 0.79 -0.72 0.40 -1.72 0.00 0.00 179.24 177.98 2qws h ILE 49 N 0.35 1.36 0.00 0.35 2.04 -0.87 -3.38 117.51 117.35 2qws h ILE 49 Ca 0.03 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2qws h ILE 49 Cb 0.84 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2qws h ILE 49 CO 0.07 0.62 -1.39 0.35 0.00 0.00 0.00 178.15 177.80 2qws n THR 50 N -4.10 0.00 -0.09 -0.27 -2.24 -0.46 -5.00 114.28 102.13 2qws n THR 50 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2qws n THR 50 Cb 0.72 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2qws n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qws n GLY 51 N 1.42 1.53 3.79 3.38 0.00 0.54 -4.96 105.19 110.89 2qws n GLY 51 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2qws n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qws s ARG 52 N -0.45 3.70 -0.36 1.61 3.00 -1.24 -5.00 118.95 120.22 2qws s ARG 52 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 55.73 56.96 2qws s ARG 52 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 34.95 32.87 2qws s ARG 52 CO 0.00 -0.52 0.56 0.34 0.00 0.00 0.00 175.30 175.68 2qws s ASP 53 N -1.93 6.36 0.21 0.23 3.68 -1.26 -4.42 116.67 119.54 2qws s ASP 53 Ca 0.68 0.02 -0.17 0.00 2.13 0.00 0.00 52.55 55.21 2qws s ASP 53 Cb -0.18 -2.29 0.21 0.00 -1.45 0.00 0.00 42.92 39.20 2qws s ASP 53 CO 0.21 -0.53 1.59 -0.65 0.13 0.00 0.00 175.17 175.92 2qws h PRO 54 N 8.48 -0.08 -0.18 4.34 0.11 -1.88 -1.68 132.00 141.10 2qws h PRO 54 Ca -0.27 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2qws h PRO 54 Cb 1.12 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2qws h PRO 54 CO 0.80 -0.05 0.13 0.87 -0.21 0.00 0.00 178.00 179.53 2qws h LYS 55 N -0.08 0.09 0.00 1.05 6.56 -1.94 -2.73 116.57 119.52 2qws h LYS 55 Ca 0.29 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.79 2qws h LYS 55 Cb 0.55 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2qws h LYS 55 CO -0.73 0.06 -0.47 1.96 -2.06 0.00 0.00 179.45 178.21 2qws h GLN 56 N 0.09 0.00 0.00 3.15 4.20 -1.73 -3.32 115.11 117.50 2qws h GLN 56 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2qws h GLN 56 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2qws h GLN 56 CO -0.01 0.40 -0.89 1.33 -0.67 0.00 0.00 178.83 178.99 2qws n VAL 57 N -3.18 0.42 -1.83 -0.54 0.24 -1.04 -4.83 118.33 107.57 2qws n VAL 57 Ca 0.02 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 2qws n VAL 57 Cb 0.70 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 2qws n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qws s ILE 58 N -3.26 2.28 0.00 1.34 -1.09 -1.15 -1.59 121.20 117.72 2qws s ILE 58 Ca 0.03 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2qws s ILE 58 Cb 0.12 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2qws s ILE 58 CO 0.77 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 2qws n GLY 59 N 3.32 3.20 3.91 6.18 0.00 0.40 -4.99 105.19 117.21 2qws n GLY 59 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2qws n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qws s LYS 60 N -0.98 3.32 -0.22 1.61 -0.14 -0.62 -4.70 119.74 118.00 2qws s LYS 60 Ca 0.00 0.19 -0.20 0.00 -1.36 0.00 0.00 55.97 54.59 2qws s LYS 60 Cb 0.00 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 2qws s LYS 60 CO 0.00 -0.43 0.62 1.21 -0.76 0.00 0.00 175.35 175.99 2qws s ASN 61 N -4.19 6.63 0.13 2.83 3.84 -1.26 -0.97 114.94 121.95 2qws s ASN 61 Ca 0.51 0.76 -0.19 0.00 0.21 0.00 0.00 52.86 54.15 2qws s ASN 61 Cb -0.10 -2.34 -0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2qws s ASN 61 CO 0.46 -0.31 1.76 0.15 -2.79 0.00 0.00 177.10 176.37 2qws h PHE 62 N 7.66 0.16 0.01 0.43 3.57 -1.31 -0.22 116.94 127.24 2qws h PHE 62 Ca -0.30 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.02 2qws h PHE 62 Cb 1.14 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2qws h PHE 62 CO 0.73 0.08 -0.91 0.74 -2.23 0.00 0.00 178.31 176.72 2qws h PHE 63 N 0.19 0.14 0.05 0.41 0.04 -1.82 0.37 116.94 116.32 2qws h PHE 63 Ca 0.09 -0.08 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 2qws h PHE 63 Cb 0.04 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 2qws h PHE 63 CO -0.11 0.95 -1.51 -0.22 -0.60 0.00 0.00 178.31 176.82 2qws h LYS 64 N 0.04 0.11 0.00 1.51 3.64 -1.87 -3.37 116.57 116.64 2qws h LYS 64 Ca -0.03 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2qws h LYS 64 Cb 1.58 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 2qws h LYS 64 CO 0.13 1.09 -1.21 -0.25 -2.27 0.00 0.00 179.45 176.94 2qws n ASP 65 N -4.07 1.91 0.02 4.20 8.00 -0.14 -4.75 116.55 121.71 2qws n ASP 65 Ca -0.31 0.40 -0.18 0.00 0.71 0.00 0.00 54.79 55.41 2qws n ASP 65 Cb 0.82 -0.80 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2qws n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2qws h VAL 66 N -1.00 1.46 -2.14 2.53 2.07 -1.42 -3.42 116.25 114.33 2qws h VAL 66 Ca -0.15 -2.21 -0.57 0.00 0.82 0.00 0.00 66.70 64.59 2qws h VAL 66 Cb 1.04 2.80 -0.41 0.00 -1.52 0.00 0.00 31.29 33.20 2qws h VAL 66 CO -0.09 0.64 -0.84 0.00 0.02 0.00 0.00 177.57 177.29 2qws n ALA 67 N -2.61 3.47 0.31 1.67 0.00 0.13 -4.93 120.51 118.55 2qws n ALA 67 Ca -0.11 -4.18 0.17 0.00 0.00 0.00 0.00 53.44 49.32 2qws n ALA 67 Cb 0.71 -0.84 1.00 0.00 0.00 0.00 0.00 19.45 20.32 2qws n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qws h PRO 68 N 3.60 0.00 0.00 0.00 0.13 -1.76 -0.58 132.00 133.39 2qws h PRO 68 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2qws h PRO 68 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2qws h PRO 68 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2qws n THR 70 N -2.31 0.00 -2.68 0.00 -2.24 -0.22 -4.68 114.28 102.14 2qws n THR 70 Ca 0.01 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 2qws n THR 70 Cb 0.18 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 2qws n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qws s ASP 71 N -2.34 6.75 0.14 3.42 -1.08 -0.59 -1.36 116.67 121.61 2qws s ASP 71 Ca 0.25 -2.19 -0.24 0.00 -0.52 0.00 0.00 52.55 49.86 2qws s ASP 71 Cb 0.19 -2.52 0.07 0.00 -1.46 0.00 0.00 42.92 39.20 2qws s ASP 71 CO 0.48 -1.19 0.64 -0.94 0.52 0.00 0.00 175.17 174.68 2qws s SER 72 N 4.14 -0.54 0.54 -0.34 1.04 -1.26 -4.97 113.70 112.32 2qws s SER 72 Ca 0.47 -0.01 0.21 0.00 0.48 0.00 0.00 55.95 57.10 2qws s SER 72 Cb 0.00 0.57 1.45 0.00 0.10 0.00 0.00 66.02 68.15 2qws s SER 72 CO -0.01 -0.93 2.17 -0.65 0.98 0.00 0.00 173.24 174.80 2qws h PRO 73 N 2.00 0.00 0.00 4.02 0.11 -1.94 -0.87 132.00 135.32 2qws h PRO 73 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qws h PRO 73 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qws h PRO 73 CO 0.37 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 2qws n GLU 74 N -4.30 0.19 0.00 1.05 4.71 -1.26 -3.19 120.64 117.84 2qws n GLU 74 Ca -0.02 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 2qws n GLU 74 Cb 0.12 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.72 2qws n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2qws n PHE 75 N -2.19 0.00 -0.34 -0.32 -0.00 -0.98 -4.71 117.46 108.91 2qws n PHE 75 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.54 2qws n PHE 75 Cb 0.27 0.20 0.24 0.00 -0.00 0.00 0.00 39.48 40.19 2qws n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 2qws h TYR 76 N 0.00 1.11 -0.93 -5.13 3.20 -0.53 -1.24 116.97 113.44 2qws h TYR 76 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2qws h TYR 76 Cb 0.00 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 37.86 2qws h TYR 76 CO 0.00 0.50 0.61 0.78 -1.64 0.00 0.00 178.16 178.41 2qws h GLY 77 N 1.02 1.34 1.33 1.82 0.00 -1.15 0.90 103.07 108.32 2qws h GLY 77 Ca 0.46 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 2qws h GLY 77 CO -0.21 0.39 -0.50 0.50 0.00 0.00 0.00 176.54 176.71 2qws h LYS 78 N 1.16 0.72 0.01 4.80 1.57 -1.22 -2.49 116.57 121.11 2qws h LYS 78 Ca 0.37 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qws h LYS 78 Cb 0.03 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qws h LYS 78 CO -0.12 1.05 -0.00 0.35 -0.57 0.00 0.00 179.45 180.16 2qws h PHE 79 N 0.56 -0.01 -0.80 -1.35 3.57 -0.53 -1.88 116.94 116.50 2qws h PHE 79 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2qws h PHE 79 Cb 1.07 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2qws h PHE 79 CO 0.05 0.14 0.53 1.57 -2.23 0.00 0.00 178.31 178.37 2qws h LYS 80 N -0.15 1.04 -0.26 1.11 5.09 -0.82 -0.85 116.57 121.73 2qws h LYS 80 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 60.65 60.54 2qws h LYS 80 Cb 0.15 -0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.24 2qws h LYS 80 CO 0.00 0.69 -0.39 1.49 -2.09 0.00 0.00 179.45 179.15 2qws h GLU 81 N 1.07 0.60 -0.35 0.07 4.57 -1.34 -2.29 114.58 116.91 2qws h GLU 81 Ca 0.30 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2qws h GLU 81 Cb -0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2qws h GLU 81 CO -0.07 0.89 0.06 0.78 -1.18 0.00 0.00 179.01 179.49 2qws h GLY 82 N 1.03 0.62 0.99 1.92 0.00 -0.48 -0.99 103.07 106.16 2qws h GLY 82 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2qws h GLY 82 CO 0.08 0.38 0.27 -2.08 0.00 0.00 0.00 176.54 175.19 2qws h VAL 83 N 0.41 1.21 -0.54 4.60 2.07 -1.12 -0.47 116.25 122.42 2qws h VAL 83 Ca 0.11 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 66.90 2qws h VAL 83 Cb 0.35 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2qws h VAL 83 CO 0.01 0.24 -0.13 0.00 0.02 0.00 0.00 177.57 177.71 2qws h ALA 84 N 1.11 0.76 -0.07 1.67 0.00 -1.32 -3.24 119.26 118.16 2qws h ALA 84 Ca 0.20 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 2qws h ALA 84 Cb 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qws h ALA 84 CO -0.02 0.67 -0.85 0.77 0.00 0.00 0.00 179.25 179.82 2qws h SER 85 N 0.91 0.72 0.00 0.00 0.02 -1.05 -3.48 113.55 110.67 2qws h SER 85 Ca 0.14 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2qws h SER 85 Cb 0.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2qws h SER 85 CO 0.05 1.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.65 2qws n GLY 86 N 0.78 0.84 3.11 -3.77 0.00 -0.20 -5.08 105.19 100.88 2qws n GLY 86 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2qws n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qws s ASN 87 N -1.95 0.06 -0.27 1.61 3.84 -1.15 -5.01 114.94 112.06 2qws s ASN 87 Ca 0.00 -0.28 -0.17 0.00 0.21 0.00 0.00 52.86 52.62 2qws s ASN 87 Cb 0.00 0.21 0.08 0.00 -0.55 0.00 0.00 41.25 40.99 2qws s ASN 87 CO 0.00 -0.40 0.67 -0.22 -2.79 0.00 0.00 177.10 174.35 2qws s LEU 88 N -1.55 -0.83 -0.33 3.21 2.96 -1.26 -4.46 118.68 116.42 2qws s LEU 88 Ca -0.13 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 2qws s LEU 88 Cb -0.06 2.30 0.19 0.00 0.50 0.00 0.00 46.19 49.12 2qws s LEU 88 CO 0.00 -0.24 0.72 0.21 -1.32 0.00 0.00 176.35 175.73 2qws s ASN 89 N 1.42 -1.29 -0.03 3.68 2.47 -1.23 -1.64 114.94 118.32 2qws s ASN 89 Ca -0.08 -0.16 -0.09 0.00 0.42 0.00 0.00 52.86 52.95 2qws s ASN 89 Cb -0.05 1.74 0.01 0.00 -1.45 0.00 0.00 41.25 41.50 2qws s ASN 89 CO -0.16 -0.20 0.20 0.28 -3.72 0.00 0.00 177.10 173.49 2qws s THR 90 N 2.47 0.05 -0.03 -5.21 -1.32 -0.59 -5.00 115.64 106.01 2qws s THR 90 Ca 0.15 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 60.23 2qws s THR 90 Cb -0.06 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 2qws s THR 90 CO -0.19 -0.23 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.58 2qws s MET 91 N -0.89 1.04 0.17 7.08 1.75 -1.26 -0.71 119.30 126.48 2qws s MET 91 Ca -0.10 -0.29 -0.21 0.00 -1.25 0.00 0.00 55.69 53.83 2qws s MET 91 Cb -0.05 -0.96 0.06 0.00 2.84 0.00 0.00 34.83 36.72 2qws s MET 91 CO 0.02 0.08 0.57 -0.59 -0.65 0.00 0.00 175.02 174.45 2qws s PHE 92 N 0.35 -0.43 0.27 4.11 -0.71 -0.21 -4.99 117.98 116.36 2qws s PHE 92 Ca -0.06 0.18 -0.10 0.00 -1.04 0.00 0.00 56.93 55.91 2qws s PHE 92 Cb -0.10 0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 42.15 2qws s PHE 92 CO 0.01 -0.86 0.60 -1.21 -1.34 0.00 0.00 175.22 172.42 2qws s GLU 93 N -3.78 3.81 0.19 1.99 2.02 -1.26 -0.32 118.70 121.35 2qws s GLU 93 Ca 0.03 0.33 -0.17 0.00 0.02 0.00 0.00 54.97 55.18 2qws s GLU 93 Cb -0.01 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.66 2qws s GLU 93 CO -0.11 0.24 0.51 -0.47 0.02 0.00 0.00 175.26 175.45 2qws s TYR 94 N -1.93 -0.08 -0.13 1.61 5.04 -0.28 -4.92 117.35 116.65 2qws s TYR 94 Ca 0.49 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.88 2qws s TYR 94 Cb -0.11 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.57 2qws s TYR 94 CO 0.23 -0.90 -0.22 0.99 -1.34 0.00 0.00 175.55 174.30 2qws s THR 95 N -3.88 2.05 -0.27 4.34 2.01 -1.26 -0.89 115.64 117.74 2qws s THR 95 Ca 0.10 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.99 2qws s THR 95 Cb -0.01 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2qws s THR 95 CO -0.03 0.55 0.29 -0.36 -0.69 0.00 0.00 174.62 174.39 2qws s PHE 96 N 0.75 3.25 -0.01 4.92 0.08 -0.38 -4.90 117.98 121.68 2qws s PHE 96 Ca -0.09 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2qws s PHE 96 Cb -0.16 -2.48 0.03 0.00 -0.57 0.00 0.00 43.02 39.84 2qws s PHE 96 CO -0.00 -0.18 0.85 -0.40 -0.10 0.00 0.00 175.22 175.39 2qws n ASP 97 N 5.13 0.33 -4.61 1.36 5.68 -1.26 -1.05 116.55 122.13 2qws n ASP 97 Ca -0.11 -1.77 -0.41 0.00 -0.50 0.00 0.00 54.79 52.00 2qws n ASP 97 Cb 0.51 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.29 2qws n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2qws s TYR 98 N -0.32 3.22 -1.34 2.11 5.04 -1.26 -4.14 117.35 120.66 2qws s TYR 98 Ca 0.03 0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 2qws s TYR 98 Cb 0.03 -3.03 0.03 0.00 0.35 0.00 0.00 41.96 39.33 2qws s TYR 98 CO 0.00 -0.48 0.35 1.04 -1.34 0.00 0.00 175.55 175.13 2qws n GLN 99 N 5.95 -3.38 -3.83 4.97 6.02 -1.26 -4.93 117.38 120.92 2qws n GLN 99 Ca 0.01 0.67 -0.08 0.00 -0.01 0.00 0.00 57.00 57.58 2qws n GLN 99 Cb 0.49 -5.39 -0.03 0.00 1.02 0.00 0.00 30.24 26.32 2qws n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qws s MET 100 N -5.59 1.59 0.14 -1.09 0.23 -1.26 -5.10 119.30 108.22 2qws s MET 100 Ca 0.24 -0.98 -0.31 0.00 -1.03 0.00 0.00 55.69 53.61 2qws s MET 100 Cb -0.12 0.55 -0.08 0.00 -1.53 0.00 0.00 34.83 33.66 2qws s MET 100 CO 0.29 -0.70 1.37 0.99 -2.03 0.00 0.00 175.02 174.94 2qws s THR 101 N -3.92 3.26 0.07 3.16 2.01 -1.26 -4.75 115.64 114.21 2qws s THR 101 Ca 0.12 0.94 -0.35 0.00 0.31 0.00 0.00 61.69 62.72 2qws s THR 101 Cb -0.03 -3.60 -0.14 0.00 0.01 0.00 0.00 72.50 68.74 2qws s THR 101 CO 0.03 0.09 1.63 -2.65 -0.69 0.00 0.00 174.62 173.04 2qws n PRO 102 N 3.53 1.98 -4.13 4.92 -0.02 -1.26 -4.77 135.00 135.25 2qws n PRO 102 Ca 0.10 0.72 -0.25 0.00 -2.02 0.00 0.00 63.50 62.04 2qws n PRO 102 Cb 0.42 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.25 2qws n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2qws s THR 103 N 1.73 0.99 0.04 3.45 2.01 -0.22 -4.96 115.64 118.68 2qws s THR 103 Ca 0.84 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 62.26 2qws s THR 103 Cb -0.74 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2qws s THR 103 CO 0.44 0.35 0.82 -0.75 -0.69 0.00 0.00 174.62 174.79 2qws s LYS 104 N 1.34 4.54 0.21 4.92 2.20 -1.26 -1.25 119.74 130.43 2qws s LYS 104 Ca -0.02 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 2qws s LYS 104 Cb -0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2qws s LYS 104 CO -0.04 0.20 0.09 0.14 -0.36 0.00 0.00 175.35 175.38 2qws s VAL 105 N 0.21 0.32 -0.15 4.02 -7.23 -0.07 -2.99 120.40 114.52 2qws s VAL 105 Ca 0.42 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2qws s VAL 105 Cb -0.21 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2qws s VAL 105 CO 0.24 -0.14 -0.07 -0.75 -0.31 0.00 0.00 175.10 174.08 2qws s LYS 106 N -4.06 3.57 -0.04 4.82 2.20 0.30 -1.13 119.74 125.39 2qws s LYS 106 Ca 0.34 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.42 2qws s LYS 106 Cb 0.07 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 2qws s LYS 106 CO 0.10 0.22 -0.16 0.08 -0.36 0.00 0.00 175.35 175.23 2qws s VAL 107 N 0.38 2.87 -0.13 4.02 1.01 0.56 -1.77 120.40 127.35 2qws s VAL 107 Ca -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2qws s VAL 107 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2qws s VAL 107 CO 0.04 0.59 -0.06 -2.28 0.00 0.00 0.00 175.10 173.38 2qws s HIS 108 N -0.70 1.50 -0.13 5.22 2.46 -0.01 -1.05 115.29 122.59 2qws s HIS 108 Ca 0.11 -0.82 -0.03 0.00 0.47 0.00 0.00 55.06 54.79 2qws s HIS 108 Cb -0.11 -1.23 -0.03 0.00 -0.13 0.00 0.00 32.58 31.08 2qws s HIS 108 CO 0.00 -0.54 -0.03 -1.64 -2.47 0.00 0.00 174.74 170.06 2qws s MET 109 N 1.70 3.46 -0.14 2.88 -1.94 0.11 -0.41 119.30 124.96 2qws s MET 109 Ca 0.04 -0.50 -0.12 0.00 -1.71 0.00 0.00 55.69 53.39 2qws s MET 109 Cb -0.13 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 33.88 2qws s MET 109 CO -0.08 0.37 0.37 0.21 -0.01 0.00 0.00 175.02 175.88 2qws s LYS 110 N 0.02 0.42 0.31 2.03 2.20 -0.52 -1.54 119.74 122.64 2qws s LYS 110 Ca 0.01 0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2qws s LYS 110 Cb -0.13 0.17 -0.11 0.00 -1.51 0.00 0.00 37.83 36.25 2qws s LYS 110 CO 0.03 -0.07 1.46 0.21 -0.36 0.00 0.00 175.35 176.62 2qws s LYS 111 N 0.36 4.21 0.92 4.03 2.20 -0.65 -0.43 119.74 130.38 2qws s LYS 111 Ca -0.01 2.41 -0.13 0.00 -0.36 0.00 0.00 55.97 57.88 2qws s LYS 111 Cb -0.03 -3.05 0.15 0.00 -1.51 0.00 0.00 37.83 33.38 2qws s LYS 111 CO -0.01 -0.45 1.15 0.00 -0.36 0.00 0.00 175.35 175.68 2qws s ALA 112 N -0.49 1.81 0.18 3.13 0.00 -0.32 -4.81 121.76 121.26 2qws s ALA 112 Ca 0.57 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 2qws s ALA 112 Cb -0.44 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2qws s ALA 112 CO 0.51 -2.33 1.57 1.25 0.00 0.00 0.00 175.76 176.77 2qws h LEU 113 N -1.54 0.96-10.24 0.00 5.85 -1.87 -3.44 115.31 105.03 2qws h LEU 113 Ca -0.49 -0.36 -0.52 0.00 0.84 0.00 0.00 57.88 57.35 2qws h LEU 113 Cb 1.32 -0.26 0.15 0.00 0.37 0.00 0.00 40.66 42.24 2qws h LEU 113 CO 0.59 1.13 0.32 -0.94 -0.34 0.00 0.00 178.44 179.20 2qws s SER 114 N -6.73 4.08 0.00 1.25 1.04 -1.26 -4.99 113.70 107.09 2qws s SER 114 Ca -0.11 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.43 2qws s SER 114 Cb 0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2qws s SER 114 CO 0.86 -2.33 0.31 0.61 0.98 0.00 0.00 173.24 173.67 2qws n GLY 115 N -0.25 -2.36 2.77 7.32 0.00 -1.26 -4.01 105.19 107.40 2qws n GLY 115 Ca 0.11 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 2qws n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qws n ASP 116 N -0.58 6.18 -3.93 1.61 2.03 -1.26 -4.90 116.55 115.70 2qws n ASP 116 Ca 0.00 -3.59 -0.10 0.00 0.52 0.00 0.00 54.79 51.62 2qws n ASP 116 Cb 0.00 -1.03 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 2qws n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2qws s SER 117 N -2.00 0.15 0.01 1.67 1.04 -1.26 -3.35 113.70 109.96 2qws s SER 117 Ca 0.39 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2qws s SER 117 Cb 0.17 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2qws s SER 117 CO -0.05 -0.29 -0.03 -0.31 0.98 0.00 0.00 173.24 173.54 2qws s TYR 118 N -1.27 0.23 0.03 5.02 1.51 0.21 -1.18 117.35 121.90 2qws s TYR 118 Ca -0.14 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2qws s TYR 118 Cb -0.08 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 2qws s TYR 118 CO -0.00 -0.04 0.23 -1.58 -1.11 0.00 0.00 175.55 173.05 2qws s TRP 119 N -0.38 3.54 -0.17 2.71 0.52 0.43 -0.21 118.94 125.39 2qws s TRP 119 Ca -0.03 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.50 2qws s TRP 119 Cb -0.03 -1.87 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2qws s TRP 119 CO -0.00 0.60 -0.06 0.08 0.02 0.00 0.00 176.95 177.59 2qws s VAL 120 N -1.40 1.20 -0.08 4.03 1.01 0.11 -1.44 120.40 123.83 2qws s VAL 120 Ca 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2qws s VAL 120 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2qws s VAL 120 CO 0.21 0.16 -0.07 -0.36 0.00 0.00 0.00 175.10 175.04 2qws s PHE 121 N 1.60 2.94 -0.00 5.22 0.08 0.45 -0.88 117.98 127.39 2qws s PHE 121 Ca 0.01 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.07 2qws s PHE 121 Cb -0.15 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2qws s PHE 121 CO -0.08 0.30 -0.05 0.08 -0.10 0.00 0.00 175.22 175.37 2qws s VAL 122 N -0.71 0.38 0.03 -0.44 1.01 -0.29 -0.83 120.40 119.54 2qws s VAL 122 Ca 0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2qws s VAL 122 Cb -0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2qws s VAL 122 CO 0.02 0.11 0.14 -1.59 0.00 0.00 0.00 175.10 173.78 2qws s LYS 123 N -0.10 0.59 0.56 2.72 -2.85 -0.73 -0.44 119.74 119.49 2qws s LYS 123 Ca 0.02 -0.60 -0.18 0.00 -1.00 0.00 0.00 55.97 54.21 2qws s LYS 123 Cb -0.02 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.94 2qws s LYS 123 CO -0.00 -0.15 1.09 1.03 0.10 0.00 0.00 175.35 177.41 2qws s ARG 124 N -2.19 3.36 0.00 1.78 0.52 -1.26 -0.54 118.95 120.61 2qws s ARG 124 Ca -0.08 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 2qws s ARG 124 Cb -0.03 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.41 2qws s ARG 124 CO -0.02 -0.81 0.17 1.33 0.02 0.00 0.00 175.30 175.99