#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnd s ARG 3 N 0.00 4.52 0.05 4.33 6.06 -1.26 -4.18 118.95 128.47 2qnd s ARG 3 Ca 0.00 1.33 0.07 0.00 -2.50 0.00 0.00 55.73 54.64 2qnd s ARG 3 Cb 0.00 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 2qnd s ARG 3 CO 0.00 -0.08 -0.20 -0.06 -2.50 0.00 0.00 175.30 172.46 2qnd s PHE 4 N 1.16 1.77 -0.04 5.12 0.40 -0.28 -5.00 117.98 121.11 2qnd s PHE 4 Ca 0.49 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 2qnd s PHE 4 Cb -0.20 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.28 2qnd s PHE 4 CO 0.25 0.10 -0.17 -1.58 0.70 0.00 0.00 175.22 174.52 2qnd s HIS 5 N -0.84 1.70 -0.02 0.36 5.65 -1.26 -1.83 115.29 119.04 2qnd s HIS 5 Ca 0.07 -0.46 0.06 0.00 0.25 0.00 0.00 55.06 54.98 2qnd s HIS 5 Cb -0.09 -1.14 -0.02 0.00 -1.18 0.00 0.00 32.58 30.16 2qnd s HIS 5 CO 0.02 -0.15 -0.21 -1.21 -0.65 0.00 0.00 174.74 172.54 2qnd s GLU 6 N -0.03 1.81 0.01 2.88 0.41 -0.02 -4.98 118.70 118.77 2qnd s GLU 6 Ca -0.02 -0.77 0.04 0.00 -0.41 0.00 0.00 54.97 53.81 2qnd s GLU 6 Cb -0.11 -1.71 -0.01 0.00 -1.78 0.00 0.00 34.13 30.52 2qnd s GLU 6 CO 0.02 0.44 -0.14 1.14 -0.49 0.00 0.00 175.26 176.23 2qnd s GLN 7 N -0.44 1.03 -0.05 1.61 -2.07 -1.26 -0.73 119.66 117.75 2qnd s GLN 7 Ca 0.06 -0.57 -0.20 0.00 -1.82 0.00 0.00 55.36 52.84 2qnd s GLN 7 Cb -0.09 -1.01 0.04 0.00 -1.09 0.00 0.00 33.01 30.86 2qnd s GLN 7 CO -0.00 0.27 0.44 -0.59 -1.32 0.00 0.00 175.29 174.09 2qnd s PHE 8 N -0.50 -0.38 0.01 9.60 -0.12 -0.97 -5.01 117.98 120.62 2qnd s PHE 8 Ca 0.04 0.69 -0.21 0.00 -0.05 0.00 0.00 56.93 57.40 2qnd s PHE 8 Cb -0.06 0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 2qnd s PHE 8 CO 0.00 -0.43 0.61 0.42 -0.05 0.00 0.00 175.22 175.78 2qnd s ILE 9 N -1.02 4.87 -0.18 -4.49 1.01 -1.26 -0.86 121.20 119.28 2qnd s ILE 9 Ca -0.10 1.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.82 2qnd s ILE 9 Cb -0.03 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 2qnd s ILE 9 CO 0.05 0.42 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 2qnd s VAL 10 N -0.24 2.86 0.39 2.92 1.01 -0.36 -4.93 120.40 122.06 2qnd s VAL 10 Ca 0.32 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2qnd s VAL 10 Cb -0.19 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 2qnd s VAL 10 CO 0.18 0.49 1.27 0.54 0.00 0.00 0.00 175.10 177.59 2qnd n ARG 11 N 4.30 2.00 -0.29 2.72 1.74 -1.26 -4.79 116.66 121.07 2qnd n ARG 11 Ca -0.19 0.71 0.08 0.00 -0.77 0.00 0.00 57.85 57.68 2qnd n ARG 11 Cb 0.51 -2.36 0.19 0.00 -1.02 0.00 0.00 32.46 29.78 2qnd n ARG 11 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2qnd h GLU 12 N 2.24 0.07 0.00 5.56 4.22 -1.96 0.16 114.58 124.87 2qnd h GLU 12 Ca -0.47 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2qnd h GLU 12 Cb 1.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qnd h GLU 12 CO 0.61 0.05 0.00 -0.40 -2.18 0.00 0.00 179.01 177.09 2qnd n ASP 13 N -5.40 0.35 -3.79 1.04 5.75 -1.26 -4.49 116.55 108.74 2qnd n ASP 13 Ca 0.16 0.59 -0.37 0.00 -0.01 0.00 0.00 54.79 55.16 2qnd n ASP 13 Cb 0.55 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 2qnd n ASP 13 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2qnd n LEU 14 N -1.89 5.33 0.00 -2.12 4.77 0.55 -4.84 117.00 118.80 2qnd n LEU 14 Ca 0.03 -5.30 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 2qnd n LEU 14 Cb 0.21 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2qnd n LEU 14 CO 0.17 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.66 2qnd n GLY 16 N 1.19 0.00 0.28 -0.72 0.00 -1.26 -1.59 105.19 103.09 2qnd n GLY 16 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2qnd n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qnd h LEU 17 N 0.00 0.92 -0.28 0.99 3.38 -1.93 -0.31 115.31 118.08 2qnd h LEU 17 Ca 0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qnd h LEU 17 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2qnd h LEU 17 CO 0.00 0.99 0.09 0.00 0.09 0.00 0.00 178.44 179.60 2qnd h ALA 18 N 0.97 0.32 -0.17 1.53 0.00 -1.59 -3.08 119.26 117.24 2qnd h ALA 18 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2qnd h ALA 18 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qnd h ALA 18 CO 0.02 -0.32 -0.45 0.82 0.00 0.00 0.00 179.25 179.32 2qnd h ILE 19 N 0.21 1.33 0.00 0.00 1.08 -1.84 -3.32 117.51 114.97 2qnd h ILE 19 Ca 0.13 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 2qnd h ILE 19 Cb 0.10 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2qnd h ILE 19 CO -0.14 0.53 0.00 0.61 -0.69 0.00 0.00 178.15 178.46 2qnd n GLY 20 N 0.52 -0.73 3.71 5.37 0.00 -0.13 -1.90 105.19 112.03 2qnd n GLY 20 Ca -0.07 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2qnd n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qnd s THR 21 N -2.48 3.37 -1.19 2.61 -4.23 -1.26 -0.81 115.64 111.65 2qnd s THR 21 Ca 0.00 0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 61.38 2qnd s THR 21 Cb 0.00 -3.63 0.10 0.00 1.34 0.00 0.00 72.50 70.31 2qnd s THR 21 CO 0.00 0.07 0.43 1.41 -0.54 0.00 0.00 174.62 175.99 2qnd n HIS 22 N 4.05 -1.69 -2.05 3.99 -0.00 -1.26 -1.23 115.22 117.03 2qnd n HIS 22 Ca 0.11 0.43 -0.12 0.00 -0.00 0.00 0.00 57.72 58.15 2qnd n HIS 22 Cb 0.43 -2.39 -0.02 0.00 -0.00 0.00 0.00 29.99 28.01 2qnd n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qnd n GLY 23 N -1.03 0.16 0.14 -1.41 0.00 0.01 -4.93 105.19 98.13 2qnd n GLY 23 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2qnd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnd h ALA 24 N 0.46 0.39 -0.14 4.61 0.00 -1.12 -1.91 119.26 121.56 2qnd h ALA 24 Ca -0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2qnd h ALA 24 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qnd h ALA 24 CO 0.34 -0.15 0.02 -0.97 0.00 0.00 0.00 179.25 178.49 2qnd h ASN 25 N 0.41 0.22 -0.26 0.00 -1.24 -1.65 -2.39 115.58 110.67 2qnd h ASN 25 Ca 0.12 -0.26 -0.06 0.00 0.71 0.00 0.00 56.30 56.80 2qnd h ASN 25 Cb -0.04 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2qnd h ASN 25 CO -0.03 0.42 -0.03 -0.29 -1.29 0.00 0.00 177.43 176.21 2qnd h ILE 26 N 0.00 1.22 -0.69 2.57 2.10 -1.42 -2.12 117.51 119.16 2qnd h ILE 26 Ca 0.04 -0.91 -0.01 0.00 1.08 0.00 0.00 64.86 65.06 2qnd h ILE 26 Cb 0.30 0.97 -0.03 0.00 -1.09 0.00 0.00 36.82 36.97 2qnd h ILE 26 CO 0.00 0.31 0.38 -0.61 -1.08 0.00 0.00 178.15 177.16 2qnd h GLN 27 N 0.56 0.96 -0.31 2.19 4.15 -1.19 0.15 115.11 121.62 2qnd h GLN 27 Ca 0.11 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2qnd h GLN 27 Cb 0.41 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2qnd h GLN 27 CO 0.02 0.72 -0.24 -0.56 -1.93 0.00 0.00 178.83 176.84 2qnd h GLN 28 N 0.95 0.71 -0.81 1.69 3.07 -1.15 -0.96 115.11 118.62 2qnd h GLN 28 Ca 0.24 -0.35 0.15 0.00 0.09 0.00 0.00 58.65 58.79 2qnd h GLN 28 Cb 0.03 -0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.49 2qnd h GLN 28 CO -0.04 0.96 0.37 0.00 0.09 0.00 0.00 178.83 180.21 2qnd h ALA 29 N 0.74 1.19 0.00 0.06 0.00 -1.17 -2.01 119.26 118.06 2qnd h ALA 29 Ca 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2qnd h ALA 29 Cb 0.79 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2qnd h ALA 29 CO 0.06 -0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.81 2qnd h ARG 30 N 0.53 0.00 -0.28 0.00 3.08 -0.25 -3.02 114.38 114.45 2qnd h ARG 30 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2qnd h ARG 30 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2qnd h ARG 30 CO -0.39 0.35 0.00 0.36 -1.07 0.00 0.00 179.97 179.22 2qnd n LYS 31 N -3.48 1.84 -1.70 0.04 2.85 -0.40 -4.86 118.16 112.45 2qnd n LYS 31 Ca 0.00 -1.28 -0.42 0.00 -1.05 0.00 0.00 58.31 55.55 2qnd n LYS 31 Cb 0.50 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.50 2qnd n LYS 31 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2qnd n VAL 32 N 0.52 0.26 -1.76 0.58 0.31 -1.11 -4.92 118.33 112.22 2qnd n VAL 32 Ca 0.15 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 2qnd n VAL 32 Cb 0.34 -2.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 2qnd n VAL 32 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2qnd s PRO 33 N 2.29 4.14 0.00 5.55 0.02 -1.26 -2.35 135.00 143.39 2qnd s PRO 33 Ca 0.80 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.38 2qnd s PRO 33 Cb -0.49 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.67 2qnd s PRO 33 CO 0.36 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2qnd n GLY 34 N 4.08 1.57 3.63 0.52 0.00 -1.26 -4.75 105.19 108.98 2qnd n GLY 34 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2qnd n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qnd s VAL 35 N -2.33 5.10 -0.12 1.61 1.01 -0.99 -0.96 120.40 123.71 2qnd s VAL 35 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 2qnd s VAL 35 Cb 0.00 -3.81 -0.25 0.00 0.00 0.00 0.00 36.38 32.32 2qnd s VAL 35 CO 0.00 0.12 0.36 0.41 0.00 0.00 0.00 175.10 175.99 2qnd n THR 36 N 4.99 1.72 -3.67 3.92 -1.04 0.54 -4.89 114.28 115.86 2qnd n THR 36 Ca -0.05 -0.68 -0.15 0.00 -2.04 0.00 0.00 64.05 61.13 2qnd n THR 36 Cb 0.50 -1.56 -0.08 0.00 -1.82 0.00 0.00 70.33 67.37 2qnd n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qnd s ALA 37 N -2.56 -1.24 -0.23 2.41 0.00 -0.95 -5.02 121.76 114.17 2qnd s ALA 37 Ca -0.20 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.74 2qnd s ALA 37 Cb 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.03 2qnd s ALA 37 CO 0.77 -0.29 -0.08 0.42 0.00 0.00 0.00 175.76 176.57 2qnd s ILE 38 N -0.81 1.70 0.34 0.00 1.01 -1.26 -1.28 121.20 120.90 2qnd s ILE 38 Ca -0.09 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.35 2qnd s ILE 38 Cb -0.03 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2qnd s ILE 38 CO 0.05 0.00 0.52 -1.81 0.00 0.00 0.00 174.94 173.70 2qnd s ASP 39 N 1.34 6.15 -0.08 3.58 1.11 0.61 -4.95 116.67 124.42 2qnd s ASP 39 Ca -0.05 0.24 -0.01 0.00 0.18 0.00 0.00 52.55 52.90 2qnd s ASP 39 Cb -0.18 -1.77 0.03 0.00 1.07 0.00 0.00 42.92 42.07 2qnd s ASP 39 CO -0.07 -0.35 -0.00 -0.22 1.18 0.00 0.00 175.17 175.71 2qnd s LEU 40 N -4.27 0.69 -0.70 1.23 2.96 -1.26 -1.17 118.68 116.16 2qnd s LEU 40 Ca 0.41 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 2qnd s LEU 40 Cb -0.10 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.12 2qnd s LEU 40 CO 0.34 -0.19 1.41 -0.62 -1.32 0.00 0.00 176.35 175.96 2qnd s ASP 41 N 1.94 5.98 0.61 3.68 -1.08 0.41 -4.90 116.67 123.31 2qnd s ASP 41 Ca 0.05 -0.22 0.34 0.00 -0.52 0.00 0.00 52.55 52.20 2qnd s ASP 41 Cb -0.13 -2.55 1.98 0.00 -1.46 0.00 0.00 42.92 40.76 2qnd s ASP 41 CO -0.06 -1.94 2.28 -0.33 0.52 0.00 0.00 175.17 175.64 2qnd h GLU 42 N 11.12 0.00 -0.02 4.34 4.39 -1.96 -0.08 114.58 132.37 2qnd h GLU 42 Ca -0.27 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.26 2qnd h GLU 42 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2qnd h GLU 42 CO 1.26 0.01 -0.73 -0.44 -1.16 0.00 0.00 179.01 177.94 2qnd h ASP 43 N 0.00 0.18 0.00 1.42 3.32 -1.97 -3.32 116.42 116.05 2qnd h ASP 43 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2qnd h ASP 43 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2qnd h ASP 43 CO 0.00 0.85 -0.01 0.35 -1.72 0.00 0.00 179.24 178.71 2qnd n THR 44 N -3.74 1.01 -4.19 0.35 -2.24 -1.02 -5.00 114.28 99.44 2qnd n THR 44 Ca -0.02 -1.06 -0.30 0.00 -2.27 0.00 0.00 64.05 60.39 2qnd n THR 44 Cb 0.71 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 2qnd n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qnd s THR 46 N -4.06 3.26 0.21 0.00 2.01 -0.90 -1.22 115.64 114.93 2qnd s THR 46 Ca 0.12 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.34 2qnd s THR 46 Cb -0.07 -2.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 2qnd s THR 46 CO 0.95 0.44 0.81 -0.36 -0.69 0.00 0.00 174.62 175.77 2qnd s PHE 47 N 1.33 3.84 -0.19 4.92 0.40 -0.04 -0.44 117.98 127.79 2qnd s PHE 47 Ca 0.04 1.64 -0.00 0.00 -0.60 0.00 0.00 56.93 58.00 2qnd s PHE 47 Cb -0.14 -2.78 0.05 0.00 0.51 0.00 0.00 43.02 40.66 2qnd s PHE 47 CO -0.03 0.43 -0.04 -1.01 0.70 0.00 0.00 175.22 175.27 2qnd s HIS 48 N -1.29 1.87 -0.15 0.36 3.76 -0.32 -2.28 115.29 117.24 2qnd s HIS 48 Ca 0.40 -1.30 -0.04 0.00 -0.15 0.00 0.00 55.06 53.98 2qnd s HIS 48 Cb -0.22 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 2qnd s HIS 48 CO 0.25 -0.67 -0.03 0.42 -0.85 0.00 0.00 174.74 173.86 2qnd s ILE 49 N 1.57 3.97 -0.04 0.60 1.01 0.09 -0.28 121.20 128.13 2qnd s ILE 49 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2qnd s ILE 49 Cb -0.17 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 2qnd s ILE 49 CO -0.07 0.50 -0.19 -0.31 0.00 0.00 0.00 174.94 174.87 2qnd s TYR 50 N 0.21 1.84 0.00 3.97 1.51 -0.40 -0.84 117.35 123.64 2qnd s TYR 50 Ca -0.02 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2qnd s TYR 50 Cb -0.14 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 2qnd s TYR 50 CO 0.03 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 2qnd n GLY 51 N 2.98 1.40 0.08 0.71 0.00 -0.76 -0.34 105.19 109.25 2qnd n GLY 51 Ca -0.17 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2qnd n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qnd n GLU 52 N 0.00 0.63 -3.74 1.61 1.02 -0.13 -1.13 120.64 118.90 2qnd n GLU 52 Ca 0.00 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 2qnd n GLU 52 Cb 0.00 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 2qnd n GLU 52 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2qnd s ASP 53 N -5.16 -0.17 0.15 1.62 -4.77 -1.26 -4.44 116.67 102.64 2qnd s ASP 53 Ca -0.04 -0.08 -0.16 0.00 -3.30 0.00 0.00 52.55 48.97 2qnd s ASP 53 Cb 0.11 0.36 0.03 0.00 -1.09 0.00 0.00 42.92 42.33 2qnd s ASP 53 CO 0.83 -0.58 1.79 1.56 0.70 0.00 0.00 175.17 179.47 2qnd h GLN 54 N 3.35 0.40 -0.46 2.11 1.08 -1.92 -2.46 115.11 117.21 2qnd h GLN 54 Ca -0.31 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 56.96 2qnd h GLN 54 Cb 1.19 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.44 2qnd h GLN 54 CO 0.44 0.27 -0.15 -0.44 -0.95 0.00 0.00 178.83 177.99 2qnd h ASP 55 N 0.41 -0.55 0.07 1.46 5.19 -1.97 0.11 116.42 121.14 2qnd h ASP 55 Ca 0.15 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2qnd h ASP 55 Cb 0.03 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2qnd h ASP 55 CO -0.09 -0.19 -0.13 0.00 -3.12 0.00 0.00 179.24 175.71 2qnd h ALA 56 N 1.36 -0.21 -0.03 3.45 0.00 -1.74 0.22 119.26 122.31 2qnd h ALA 56 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2qnd h ALA 56 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qnd h ALA 56 CO -0.50 -0.65 -0.63 -0.39 0.00 0.00 0.00 179.25 177.09 2qnd h VAL 57 N -0.26 1.42 -0.14 0.00 -1.51 -1.27 -1.34 116.25 113.15 2qnd h VAL 57 Ca 0.02 -2.08 -0.11 0.00 -1.23 0.00 0.00 66.70 63.30 2qnd h VAL 57 Cb 0.28 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2qnd h VAL 57 CO -0.08 0.61 -0.40 0.11 -1.23 0.00 0.00 177.57 176.57 2qnd h LYS 58 N 0.09 0.32 -0.13 5.19 1.57 -0.57 -1.38 116.57 121.67 2qnd h LYS 58 Ca -0.01 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2qnd h LYS 58 Cb 1.12 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 2qnd h LYS 58 CO 0.09 0.67 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.34 2qnd h LYS 59 N 0.26 0.28 -0.68 3.15 3.64 -0.18 -1.63 116.57 121.42 2qnd h LYS 59 Ca 0.02 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2qnd h LYS 59 Cb 0.83 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 2qnd h LYS 59 CO 0.07 0.65 0.29 0.00 -2.27 0.00 0.00 179.45 178.18 2qnd h ALA 60 N 0.63 0.92 -0.96 5.00 0.00 -1.25 -2.53 119.26 121.07 2qnd h ALA 60 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qnd h ALA 60 Cb 0.58 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2qnd h ALA 60 CO 0.02 -0.14 0.59 -0.09 0.00 0.00 0.00 179.25 179.63 2qnd h ARG 61 N 0.49 1.29 -0.90 0.00 2.43 -1.14 -2.54 114.38 114.01 2qnd h ARG 61 Ca 0.35 -0.11 0.11 0.00 -0.81 0.00 0.00 59.98 59.52 2qnd h ARG 61 Cb 0.44 -0.28 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 2qnd h ARG 61 CO -0.32 0.89 0.58 0.66 -1.51 0.00 0.00 179.97 180.27 2qnd h SER 62 N 1.32 0.77 -0.14 -3.80 4.64 -0.85 -0.80 113.55 114.68 2qnd h SER 62 Ca 0.35 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 2qnd h SER 62 Cb -0.08 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2qnd h SER 62 CO -0.07 0.43 -0.07 -0.26 -0.87 0.00 0.00 176.83 175.99 2qnd h PHE 63 N 0.84 0.47 0.00 4.77 -1.00 -1.40 -3.35 116.94 117.27 2qnd h PHE 63 Ca 0.43 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 61.15 2qnd h PHE 63 Cb 0.50 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2qnd h PHE 63 CO -0.00 0.52 -1.07 1.28 -1.61 0.00 0.00 178.31 177.43 2qnd n LEU 64 N -4.25 0.32 -3.85 1.54 4.77 -0.73 -4.81 117.00 109.98 2qnd n LEU 64 Ca 0.01 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 2qnd n LEU 64 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2qnd n LEU 64 CO 0.39 0.08 2.40 1.21 -1.33 0.00 0.00 177.39 180.14 2qnd n GLU 65 N -1.61 3.10 -2.66 3.23 2.13 -0.39 -4.74 120.64 119.71 2qnd n GLU 65 Ca 0.00 -2.94 -0.39 0.00 0.66 0.00 0.00 57.16 54.49 2qnd n GLU 65 Cb 0.26 -3.20 -0.05 0.00 0.27 0.00 0.00 31.44 28.72 2qnd n GLU 65 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2qnd s PHE 66 N 2.45 3.77 0.31 4.31 0.40 -1.26 -0.71 117.98 127.25 2qnd s PHE 66 Ca 0.45 1.82 -0.10 0.00 -0.60 0.00 0.00 56.93 58.50 2qnd s PHE 66 Cb 0.12 -3.07 0.01 0.00 0.51 0.00 0.00 43.02 40.58 2qnd s PHE 66 CO -0.05 0.04 0.53 0.00 0.70 0.00 0.00 175.22 176.45 2qnd s ALA 67 N -1.27 0.02 0.07 5.36 0.00 0.43 -4.54 121.76 121.83 2qnd s ALA 67 Ca 0.45 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2qnd s ALA 67 Cb -0.26 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2qnd s ALA 67 CO 0.33 -0.86 0.11 -1.21 0.00 0.00 0.00 175.76 174.13 2qnd s GLU 68 N -3.37 3.02 -0.16 0.00 2.02 -1.26 -1.91 118.70 117.04 2qnd s GLU 68 Ca 0.24 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 2qnd s GLU 68 Cb -0.01 -2.81 0.08 0.00 0.10 0.00 0.00 34.13 31.48 2qnd s GLU 68 CO 0.13 0.58 0.34 0.34 0.02 0.00 0.00 175.26 176.68 2qnd s ASP 69 N -2.37 0.02 0.09 -0.19 2.15 0.05 -4.98 116.67 111.43 2qnd s ASP 69 Ca 0.30 0.80 -0.23 0.00 0.43 0.00 0.00 52.55 53.85 2qnd s ASP 69 Cb -0.12 1.02 -0.07 0.00 -0.30 0.00 0.00 42.92 43.46 2qnd s ASP 69 CO 0.23 -0.23 0.71 -0.69 -0.17 0.00 0.00 175.17 175.02 2qnd s VAL 70 N 2.47 4.63 -0.09 1.11 1.01 -1.26 -1.60 120.40 126.67 2qnd s VAL 70 Ca -0.01 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2qnd s VAL 70 Cb -0.12 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2qnd s VAL 70 CO -0.11 0.46 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 2qnd s ILE 71 N -0.64 1.42 -0.19 2.22 1.09 -0.27 -4.95 121.20 119.88 2qnd s ILE 71 Ca 0.35 -0.63 -0.23 0.00 -1.10 0.00 0.00 60.65 59.04 2qnd s ILE 71 Cb -0.21 -1.29 -0.02 0.00 -1.06 0.00 0.00 42.46 39.89 2qnd s ILE 71 CO 0.23 0.42 0.74 -1.10 -0.10 0.00 0.00 174.94 175.13 2qnd s GLN 72 N 0.74 4.24 -0.18 2.79 -1.52 -1.26 -0.64 119.66 123.83 2qnd s GLN 72 Ca -0.12 0.82 -0.01 0.00 -1.95 0.00 0.00 55.36 54.10 2qnd s GLN 72 Cb -0.16 -3.58 -0.00 0.00 -0.22 0.00 0.00 33.01 29.05 2qnd s GLN 72 CO 0.03 -0.31 -0.12 0.08 -0.25 0.00 0.00 175.29 174.72 2qnd s VAL 73 N 2.11 2.82 -0.17 1.09 1.01 0.06 -4.88 120.40 122.45 2qnd s VAL 73 Ca 0.33 -0.70 -0.36 0.00 0.00 0.00 0.00 61.98 61.26 2qnd s VAL 73 Cb -0.16 -2.23 -0.13 0.00 0.00 0.00 0.00 36.38 33.86 2qnd s VAL 73 CO 0.11 0.49 1.88 -2.65 0.00 0.00 0.00 175.10 174.93 2qnd n PRO 74 N 4.40 1.81 -0.38 2.72 -0.02 -1.26 -0.19 135.00 142.08 2qnd n PRO 74 Ca -0.19 0.65 0.32 0.00 -2.02 0.00 0.00 63.50 62.26 2qnd n PRO 74 Cb 0.51 -2.50 0.58 0.00 -0.02 0.00 0.00 33.50 32.08 2qnd n PRO 74 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qnd h ARG 75 N 9.05 0.13 -1.05 -0.52 2.43 -1.15 0.16 114.38 123.43 2qnd h ARG 75 Ca -0.46 -0.01 0.27 0.00 -0.81 0.00 0.00 59.98 58.97 2qnd h ARG 75 Cb 1.29 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.71 2qnd h ARG 75 CO 0.96 0.08 0.66 -2.95 -1.51 0.00 0.00 179.97 177.22 2qnd h ASN 76 N 0.13 0.48 -0.03 -3.80 -1.07 -1.88 -2.45 115.58 106.97 2qnd h ASN 76 Ca 0.80 0.10 0.00 0.00 0.07 0.00 0.00 56.30 57.27 2qnd h ASN 76 Cb 2.21 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 38.49 2qnd h ASN 76 CO -0.57 0.07 -0.08 0.18 0.07 0.00 0.00 177.43 177.10 2qnd n LEU 77 N -4.68 2.80 0.39 6.14 4.77 0.55 -4.50 117.00 122.46 2qnd n LEU 77 Ca 0.26 -0.95 -0.18 0.00 -0.03 0.00 0.00 56.01 55.11 2qnd n LEU 77 Cb 0.88 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.88 2qnd n LEU 77 CO 0.23 0.47 0.64 0.58 -1.33 0.00 0.00 177.39 177.99 2qnd h VAL 78 N 4.27 0.30 -0.95 4.08 2.07 -1.46 0.53 116.25 125.09 2qnd h VAL 78 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2qnd h VAL 78 Cb 0.95 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2qnd h VAL 78 CO 0.00 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.43 2qnd h GLY 79 N -0.95 1.19 0.59 2.17 0.00 -1.79 0.12 103.07 104.39 2qnd h GLY 79 Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2qnd h GLY 79 CO 0.16 -0.02 -0.04 0.50 0.00 0.00 0.00 176.54 177.14 2qnd h LYS 80 N 0.54 0.11 0.00 4.80 1.79 -1.58 -2.70 116.57 119.52 2qnd h LYS 80 Ca 0.51 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.86 2qnd h LYS 80 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2qnd h LYS 80 CO -0.25 0.56 -0.28 -0.24 -1.08 0.00 0.00 179.45 178.16 2qnd h VAL 81 N -0.34 0.51 -0.67 0.50 3.04 0.45 -1.49 116.25 118.26 2qnd h VAL 81 Ca 0.01 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 64.08 2qnd h VAL 81 Cb 0.53 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 31.95 2qnd h VAL 81 CO 0.01 0.28 0.39 0.40 -1.01 0.00 0.00 177.57 177.64 2qnd h ILE 82 N 0.00 1.19 -0.27 3.17 2.04 -0.82 -2.96 117.51 119.87 2qnd h ILE 82 Ca -0.00 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2qnd h ILE 82 Cb 1.14 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2qnd h ILE 82 CO 0.04 0.21 -0.06 0.61 0.00 0.00 0.00 178.15 178.94 2qnd n GLY 83 N -1.30 -1.67 3.53 5.37 0.00 -0.56 -2.30 105.19 108.27 2qnd n GLY 83 Ca 0.07 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2qnd n GLY 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qnd n LYS 84 N -1.98 0.88 -3.74 1.61 3.00 -1.26 -2.07 118.16 114.60 2qnd n LYS 84 Ca -0.00 0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 58.05 2qnd n LYS 84 Cb 0.06 -2.95 0.03 0.00 0.00 0.00 0.00 35.03 32.17 2qnd n LYS 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2qnd n ASN 85 N 14.06 -4.32 0.00 3.14 3.02 -1.26 -2.35 115.26 127.55 2qnd n ASN 85 Ca 0.43 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2qnd n ASN 85 Cb 0.41 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2qnd n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qnd n GLY 86 N -1.74 2.23 0.35 7.41 0.00 -0.88 -4.90 105.19 107.66 2qnd n GLY 86 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2qnd n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qnd h LYS 87 N 2.03 -0.15 -0.06 1.61 3.64 -1.21 0.18 116.57 122.61 2qnd h LYS 87 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2qnd h LYS 87 Cb 0.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2qnd h LYS 87 CO 0.00 -0.10 -0.04 1.25 -2.27 0.00 0.00 179.45 178.29 2qnd h LEU 88 N -0.15 0.14 -0.90 5.20 5.85 -1.70 -0.37 115.31 123.38 2qnd h LEU 88 Ca 0.24 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 2qnd h LEU 88 Cb 0.55 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2qnd h LEU 88 CO -0.70 0.56 -0.16 -0.29 -0.34 0.00 0.00 178.44 177.51 2qnd h ILE 89 N -0.27 1.25 -0.52 4.05 6.09 -1.34 -0.02 117.51 126.74 2qnd h ILE 89 Ca 0.01 -1.17 0.01 0.00 -1.37 0.00 0.00 64.86 62.34 2qnd h ILE 89 Cb 0.51 1.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 2qnd h ILE 89 CO 0.01 0.39 0.34 -0.61 -3.07 0.00 0.00 178.15 175.21 2qnd h GLN 90 N 0.58 0.68 -0.81 2.19 5.75 -0.46 -1.57 115.11 121.47 2qnd h GLN 90 Ca 0.10 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2qnd h GLN 90 Cb 0.60 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2qnd h GLN 90 CO 0.04 0.45 0.45 0.93 -2.65 0.00 0.00 178.83 178.05 2qnd h GLU 91 N 0.70 1.12 -0.45 1.69 5.08 -0.63 -1.61 114.58 120.47 2qnd h GLU 91 Ca 0.19 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2qnd h GLU 91 Cb -0.07 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 2qnd h GLU 91 CO -0.05 0.82 0.28 0.82 -1.00 0.00 0.00 179.01 179.88 2qnd h ILE 92 N 1.12 1.07 -0.27 3.13 2.04 -0.70 0.22 117.51 124.12 2qnd h ILE 92 Ca 0.29 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.82 2qnd h ILE 92 Cb 0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2qnd h ILE 92 CO -0.05 0.10 -0.37 -0.37 0.00 0.00 0.00 178.15 177.47 2qnd h VAL 93 N 0.56 1.29 -0.31 1.67 -1.51 -1.14 -0.38 116.25 116.43 2qnd h VAL 93 Ca 0.18 -1.51 -0.17 0.00 -1.23 0.00 0.00 66.70 63.96 2qnd h VAL 93 Cb -0.01 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2qnd h VAL 93 CO -0.07 0.48 -0.48 0.44 -1.23 0.00 0.00 177.57 176.71 2qnd h ASP 94 N 0.51 0.97 -0.11 4.19 3.32 -0.96 -1.95 116.42 122.40 2qnd h ASP 94 Ca 0.05 -0.51 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 2qnd h ASP 94 Cb 0.87 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.15 2qnd h ASP 94 CO 0.07 1.29 -0.50 0.50 -1.72 0.00 0.00 179.24 178.89 2qnd h LYS 95 N 0.67 0.53 -0.35 3.56 3.64 -0.48 -3.26 116.57 120.89 2qnd h LYS 95 Ca 0.03 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 2qnd h LYS 95 Cb 1.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2qnd h LYS 95 CO 0.11 1.05 -0.03 0.66 -2.27 0.00 0.00 179.45 178.97 2qnd h SER 96 N 0.13 0.52 0.00 4.20 4.64 -1.10 -3.47 113.55 118.46 2qnd h SER 96 Ca -0.03 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2qnd h SER 96 Cb 1.14 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2qnd h SER 96 CO 0.10 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2qnd n GLY 97 N -0.79 0.78 3.62 -0.77 0.00 -0.74 -4.55 105.19 102.75 2qnd n GLY 97 Ca 0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2qnd n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qnd s VAL 98 N -2.00 2.10 -0.06 1.61 -7.23 -1.16 -4.80 120.40 108.86 2qnd s VAL 98 Ca 0.00 0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.02 2qnd s VAL 98 Cb 0.00 -2.39 -0.30 0.00 0.56 0.00 0.00 36.38 34.25 2qnd s VAL 98 CO 0.00 -0.04 0.77 0.58 -0.31 0.00 0.00 175.10 176.10 2qnd h VAL 99 N -2.09 1.29 -2.54 1.32 2.07 -0.83 -3.46 116.25 112.00 2qnd h VAL 99 Ca -0.56 -2.50 0.11 0.00 0.82 0.00 0.00 66.70 64.57 2qnd h VAL 99 Cb 1.33 2.99 -0.10 0.00 -1.52 0.00 0.00 31.29 33.98 2qnd h VAL 99 CO 0.55 0.73 0.40 0.00 0.02 0.00 0.00 177.57 179.27 2qnd s ARG 100 N -2.47 1.23 0.06 1.57 1.70 -1.13 -5.04 118.95 114.87 2qnd s ARG 100 Ca -0.16 -0.61 0.08 0.00 -0.47 0.00 0.00 55.73 54.58 2qnd s ARG 100 Cb 0.03 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2qnd s ARG 100 CO 0.82 -0.55 -0.22 0.54 -1.08 0.00 0.00 175.30 174.81 2qnd s VAL 101 N -3.43 1.78 -0.12 4.99 0.11 -1.26 -1.60 120.40 120.87 2qnd s VAL 101 Ca 0.09 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.86 2qnd s VAL 101 Cb -0.02 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2qnd s VAL 101 CO -0.02 0.18 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.58 2qnd s ARG 102 N -1.34 3.04 -0.32 1.54 0.52 0.14 -4.93 118.95 117.59 2qnd s ARG 102 Ca 0.08 -0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 2qnd s ARG 102 Cb -0.09 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 2qnd s ARG 102 CO 0.02 0.07 0.32 0.42 0.02 0.00 0.00 175.30 176.15 2qnd s ILE 103 N 0.60 5.21 -0.21 1.52 1.01 -1.26 0.16 121.20 128.24 2qnd s ILE 103 Ca -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2qnd s ILE 103 Cb -0.17 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 2qnd s ILE 103 CO 0.03 0.00 -0.09 -1.61 0.00 0.00 0.00 174.94 173.27 2qnd s GLU 104 N 1.93 3.27 -0.26 2.79 2.02 -0.59 -5.03 118.70 122.83 2qnd s GLU 104 Ca 0.10 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 2qnd s GLU 104 Cb -0.17 -2.88 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 2qnd s GLU 104 CO 0.11 -0.19 0.09 0.00 0.02 0.00 0.00 175.26 175.29 2qnd s ALA 105 N 1.40 3.19 0.01 5.21 0.00 -1.26 -4.01 121.76 126.29 2qnd s ALA 105 Ca 0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 2qnd s ALA 105 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2qnd s ALA 105 CO -0.06 -0.58 0.17 -1.21 0.00 0.00 0.00 175.76 174.08 2qnd s GLU 106 N 1.61 3.35 0.78 0.00 2.02 -1.26 -5.06 118.70 120.14 2qnd s GLU 106 Ca 0.06 -0.39 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 2qnd s GLU 106 Cb -0.16 -3.03 0.06 0.00 0.10 0.00 0.00 34.13 31.11 2qnd s GLU 106 CO 0.04 0.65 1.15 1.21 0.02 0.00 0.00 175.26 178.33 2qnd s ASN 107 N -2.02 4.09 0.51 -0.19 3.84 -1.26 -4.87 114.94 115.04 2qnd s ASN 107 Ca 0.28 2.12 0.22 0.00 0.21 0.00 0.00 52.86 55.69 2qnd s ASN 107 Cb -0.13 -2.56 1.31 0.00 -0.55 0.00 0.00 41.25 39.33 2qnd s ASN 107 CO 0.20 -2.32 2.01 -0.08 -2.79 0.00 0.00 177.10 174.11 2qnd h GLU 108 N -0.85 0.08 0.00 0.43 4.81 -2.05 -2.89 114.58 114.12 2qnd h GLU 108 Ca -0.45 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qnd h GLU 108 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2qnd h GLU 108 CO 0.49 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 180.45 2qnd n LYS 109 N -4.42 0.07 -2.24 1.92 5.02 -1.26 -4.90 118.16 112.36 2qnd n LYS 109 Ca 0.09 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 2qnd n LYS 109 Cb 0.51 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2qnd n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2qnd s ASN 110 N -3.43 6.90 0.03 4.39 0.01 -1.09 -4.97 114.94 116.78 2qnd s ASN 110 Ca 0.12 2.28 -0.30 0.00 -0.71 0.00 0.00 52.86 54.25 2qnd s ASN 110 Cb 0.16 -2.59 -0.16 0.00 0.41 0.00 0.00 41.25 39.06 2qnd s ASN 110 CO 0.50 -0.57 1.26 0.58 -1.51 0.00 0.00 177.10 177.36 2qnd h VAL 111 N 4.14 0.00 -3.33 1.60 2.07 -1.92 -3.40 116.25 115.40 2qnd h VAL 111 Ca -0.43 -0.18 -0.59 0.00 0.82 0.00 0.00 66.70 66.33 2qnd h VAL 111 Cb 1.21 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2qnd h VAL 111 CO 0.82 0.00 0.33 -2.16 0.02 0.00 0.00 177.57 176.58 2qnd s PRO 112 N -5.06 4.25 -0.20 1.57 0.04 -1.26 -5.01 135.00 129.34 2qnd s PRO 112 Ca -0.16 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 2qnd s PRO 112 Cb 0.02 -3.59 0.14 0.00 0.04 0.00 0.00 34.50 31.10 2qnd s PRO 112 CO 0.47 -0.33 1.06 1.14 0.04 0.00 0.00 177.00 179.37 2qnd s GLN 113 N 2.20 0.50 -0.26 4.56 -2.07 -1.26 -5.15 119.66 118.18 2qnd s GLN 113 Ca 0.35 0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.97 2qnd s GLN 113 Cb -0.16 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 2qnd s GLN 113 CO 0.11 -0.14 0.24 -1.21 -1.32 0.00 0.00 175.29 172.97 2qnd s GLU 114 N -0.84 4.02 0.07 9.60 2.02 -1.26 -5.05 118.70 127.27 2qnd s GLU 114 Ca 0.01 -0.17 -0.36 0.00 0.02 0.00 0.00 54.97 54.47 2qnd s GLU 114 Cb -0.01 -3.61 -0.15 0.00 0.10 0.00 0.00 34.13 30.45 2qnd s GLU 114 CO -0.01 -0.12 1.49 0.39 0.02 0.00 0.00 175.26 177.03 2qnd n GLU 115 N 4.83 1.57 -2.59 1.61 1.02 -1.26 -4.71 120.64 121.12 2qnd n GLU 115 Ca -0.12 0.57 -0.03 0.00 -0.02 0.00 0.00 57.16 57.56 2qnd n GLU 115 Cb 0.52 -2.27 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 2qnd n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qnd n GLY 116 N 3.09 0.74 3.36 0.62 0.00 -1.26 -5.05 105.19 106.70 2qnd n GLY 116 Ca 0.19 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.65 2qnd n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qnd s VAL 118 N -2.97 -0.43 0.16 1.61 1.01 0.73 -0.48 120.40 120.02 2qnd s VAL 118 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 2qnd s VAL 118 Cb -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 2qnd s VAL 118 CO 0.08 0.00 1.40 -2.16 0.00 0.00 0.00 175.10 174.43 2qnd s PRO 119 N 2.40 4.31 -0.36 2.72 0.04 -1.26 -0.76 135.00 142.10 2qnd s PRO 119 Ca -0.02 2.14 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 2qnd s PRO 119 Cb -0.05 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2qnd s PRO 119 CO -0.17 -0.42 0.16 -0.06 0.04 0.00 0.00 177.00 176.55 2qnd s PHE 120 N 0.76 3.27 -0.51 0.56 0.40 0.19 -1.54 117.98 121.12 2qnd s PHE 120 Ca 0.63 -1.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.43 2qnd s PHE 120 Cb -0.38 -2.45 0.07 0.00 0.51 0.00 0.00 43.02 40.77 2qnd s PHE 120 CO 0.34 -0.74 0.54 0.08 0.70 0.00 0.00 175.22 176.14 2qnd s VAL 121 N 1.44 5.02 0.07 -0.44 1.01 0.12 -1.12 120.40 126.51 2qnd s VAL 121 Ca 0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2qnd s VAL 121 Cb -0.20 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2qnd s VAL 121 CO 0.03 -0.76 0.72 -0.36 0.00 0.00 0.00 175.10 174.73 2qnd s PHE 122 N 2.21 3.78 -0.14 5.22 0.40 -0.63 -0.69 117.98 128.15 2qnd s PHE 122 Ca 0.10 1.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.87 2qnd s PHE 122 Cb -0.22 -2.73 0.03 0.00 0.51 0.00 0.00 43.02 40.61 2qnd s PHE 122 CO 0.09 0.39 -0.05 0.08 0.70 0.00 0.00 175.22 176.43 2qnd s VAL 123 N -0.50 0.97 -2.20 -0.44 1.01 -0.63 -0.77 120.40 117.84 2qnd s VAL 123 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2qnd s VAL 123 Cb -0.21 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2qnd s VAL 123 CO 0.22 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2qnd n GLY 124 N 4.94 -1.34 3.76 4.51 0.00 -0.80 -0.11 105.19 116.15 2qnd n GLY 124 Ca -0.11 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2qnd n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qnd s THR 125 N -2.95 2.98 0.32 2.61 -4.23 -1.26 -0.43 115.64 112.68 2qnd s THR 125 Ca 0.00 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 2qnd s THR 125 Cb 0.00 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 71.06 2qnd s THR 125 CO 0.00 -0.23 1.87 0.11 -0.54 0.00 0.00 174.62 175.83 2qnd h LYS 126 N 0.33 0.86 -0.46 3.99 1.79 -1.21 -2.02 116.57 119.84 2qnd h LYS 126 Ca -0.48 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 57.90 2qnd h LYS 126 Cb 1.26 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2qnd h LYS 126 CO 0.54 0.57 0.14 -0.44 -1.08 0.00 0.00 179.45 179.18 2qnd h ASP 127 N 0.89 0.68 -0.72 0.86 3.32 -1.86 -0.40 116.42 119.18 2qnd h ASP 127 Ca 0.45 -0.21 0.16 0.00 0.02 0.00 0.00 57.03 57.44 2qnd h ASP 127 Cb 0.49 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.75 2qnd h ASP 127 CO -0.21 0.71 0.13 0.28 -1.72 0.00 0.00 179.24 178.44 2qnd h SER 128 N 0.61 -0.07 -0.23 6.45 0.02 -1.67 -1.75 113.55 116.93 2qnd h SER 128 Ca 0.15 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2qnd h SER 128 Cb 0.28 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2qnd h SER 128 CO -0.00 -0.07 -0.33 0.40 -1.14 0.00 0.00 176.83 175.69 2qnd h ILE 129 N 0.23 1.32 -0.57 3.27 2.04 -0.72 0.57 117.51 123.65 2qnd h ILE 129 Ca 0.40 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.83 2qnd h ILE 129 Cb 0.69 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 2qnd h ILE 129 CO -0.53 0.48 0.16 0.00 0.00 0.00 0.00 178.15 178.26 2qnd h ALA 130 N 0.64 0.69 -0.20 1.87 0.00 -0.92 0.11 119.26 121.46 2qnd h ALA 130 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qnd h ALA 130 Cb 0.91 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qnd h ALA 130 CO 0.08 -0.26 0.12 -0.91 0.00 0.00 0.00 179.25 178.28 2qnd h ASN 131 N 0.32 0.24 -0.50 0.00 2.35 -0.66 -2.16 115.58 115.16 2qnd h ASN 131 Ca 0.29 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2qnd h ASN 131 Cb 0.38 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2qnd h ASN 131 CO -0.33 0.22 0.33 0.00 -1.65 0.00 0.00 177.43 176.00 2qnd h ALA 132 N 1.03 1.69 0.01 -0.83 0.00 -0.34 -1.11 119.26 119.70 2qnd h ALA 132 Ca 0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2qnd h ALA 132 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2qnd h ALA 132 CO -0.01 0.28 -1.08 1.79 0.00 0.00 0.00 179.25 180.22 2qnd h THR 133 N 0.64 1.62 -0.03 0.00 1.35 -0.70 -0.31 112.91 115.49 2qnd h THR 133 Ca 0.19 -3.34 -0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2qnd h THR 133 Cb -0.01 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2qnd h THR 133 CO -0.04 0.93 0.01 0.58 -0.25 0.00 0.00 175.52 176.75 2qnd h VAL 134 N 0.01 1.15 -0.15 6.82 2.07 -1.02 -0.32 116.25 124.81 2qnd h VAL 134 Ca -0.04 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2qnd h VAL 134 Cb 1.81 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2qnd h VAL 134 CO 0.13 0.12 0.06 -0.07 0.02 0.00 0.00 177.57 177.84 2qnd h LEU 135 N -0.14 0.08 -0.65 2.57 3.38 -1.17 -2.14 115.31 117.25 2qnd h LEU 135 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2qnd h LEU 135 Cb 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2qnd h LEU 135 CO -0.00 0.07 0.35 0.25 0.09 0.00 0.00 178.44 179.20 2qnd h LEU 136 N 0.14 0.50 -0.07 1.67 5.85 -0.96 -1.89 115.31 120.55 2qnd h LEU 136 Ca 0.06 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2qnd h LEU 136 Cb 0.03 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2qnd h LEU 136 CO -0.06 0.32 -0.08 0.44 -0.34 0.00 0.00 178.44 178.72 2qnd h ASP 137 N 0.63 -0.26 -0.24 1.25 3.32 -0.82 -1.70 116.42 118.62 2qnd h ASP 137 Ca 0.30 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.42 2qnd h ASP 137 Cb 0.21 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2qnd h ASP 137 CO -0.20 -0.12 0.08 1.88 -1.72 0.00 0.00 179.24 179.16 2qnd h TYR 138 N -0.11 0.14 0.60 4.55 0.05 -1.04 -2.34 116.97 118.83 2qnd h TYR 138 Ca 0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2qnd h TYR 138 Cb 0.19 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2qnd h TYR 138 CO -0.18 0.07 -0.36 0.45 -1.05 0.00 0.00 178.16 177.09 2qnd h HIS 139 N 0.19 -0.94 -1.12 4.88 3.86 -1.25 -2.71 115.15 118.06 2qnd h HIS 139 Ca 0.10 -0.01 0.34 0.00 -1.16 0.00 0.00 60.37 59.64 2qnd h HIS 139 Cb 0.07 0.33 -0.12 0.00 1.06 0.00 0.00 27.41 28.75 2qnd h HIS 139 CO -0.13 -0.55 0.69 -0.07 0.86 0.00 0.00 177.93 178.74 2qnd h LEU 140 N -0.90 0.41 -1.43 2.43 4.07 -1.26 0.15 115.31 118.78 2qnd h LEU 140 Ca -0.07 0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 2qnd h LEU 140 Cb 0.73 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 2qnd h LEU 140 CO 0.08 -0.08 -0.23 0.78 -1.08 0.00 0.00 178.44 177.92 2qnd h ASN 141 N 0.27 0.08 0.00 -0.43 2.35 -1.08 -0.33 115.58 116.44 2qnd h ASN 141 Ca 0.72 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 56.23 2qnd h ASN 141 Cb 1.90 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 40.21 2qnd h ASN 141 CO -0.45 0.31 -2.14 0.00 -1.65 0.00 0.00 177.43 173.51 2qnd n TYR 142 N -4.23 0.00 0.16 1.19 0.18 -0.49 -4.26 117.16 109.71 2qnd n TYR 142 Ca -0.02 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.79 2qnd n TYR 142 Cb 0.31 -0.75 0.41 0.00 -0.38 0.00 0.00 39.34 38.92 2qnd n TYR 142 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2qnd h LEU 143 N 0.00 0.11 0.00 -3.48 3.38 -1.00 -3.52 115.31 110.80 2qnd h LEU 143 Ca -0.33 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2qnd h LEU 143 Cb 1.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2qnd h LEU 143 CO 0.02 0.33 0.00 1.17 0.09 0.00 0.00 178.44 180.05