#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi s LEU 2 N 0.00 -1.46 0.17 -0.89 2.96 -1.26 -5.08 118.68 113.11 2qbi s LEU 2 Ca 0.00 -0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 53.08 2qbi s LEU 2 Cb 0.00 1.90 -0.03 0.00 0.50 0.00 0.00 46.19 48.56 2qbi s LEU 2 CO 0.00 -0.18 0.18 0.00 -1.32 0.00 0.00 176.35 175.03 2qbi s GLN 3 N 1.86 1.13 0.31 1.98 -2.07 -1.26 -4.72 119.66 116.89 2qbi s GLN 3 Ca 0.16 -1.42 -0.29 0.00 -1.82 0.00 0.00 55.36 51.99 2qbi s GLN 3 Cb -0.05 0.31 -0.11 0.00 -1.09 0.00 0.00 33.01 32.07 2qbi s GLN 3 CO -0.07 -0.38 1.49 -2.14 -1.32 0.00 0.00 175.29 172.86 2qbi s PRO 4 N -4.06 4.18 0.42 9.60 0.02 -1.26 -4.91 135.00 139.00 2qbi s PRO 4 Ca 0.27 2.46 0.23 0.00 0.02 0.00 0.00 61.00 63.98 2qbi s PRO 4 Cb 0.05 -3.03 0.78 0.00 0.02 0.00 0.00 34.50 32.32 2qbi s PRO 4 CO 0.05 -0.49 1.76 0.87 -0.33 0.00 0.00 177.00 178.86 2qbi h LYS 5 N 4.15 0.00 -2.29 5.54 1.79 -2.05 -3.45 116.57 120.26 2qbi h LYS 5 Ca -0.48 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 2qbi h LYS 5 Cb 1.23 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.66 2qbi h LYS 5 CO 0.73 0.24 0.00 0.50 -1.08 0.00 0.00 179.45 179.84 2qbi s ARG 6 N -3.52 0.76 -0.02 3.15 3.52 -1.26 -5.16 118.95 116.41 2qbi s ARG 6 Ca 0.02 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.28 2qbi s ARG 6 Cb 0.09 0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 2qbi s ARG 6 CO 0.65 -0.13 0.05 0.95 -0.81 0.00 0.00 175.30 176.01 2qbi s THR 7 N -0.03 -0.02 -1.08 4.11 -4.23 -1.26 -5.02 115.64 108.11 2qbi s THR 7 Ca -0.03 0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2qbi s THR 7 Cb -0.04 -0.09 0.15 0.00 1.34 0.00 0.00 72.50 73.87 2qbi s THR 7 CO 0.02 0.03 1.48 1.17 -0.54 0.00 0.00 174.62 176.79 2qbi n LYS 8 N 3.50 0.04 -3.61 3.99 3.00 -1.26 -4.52 118.16 119.30 2qbi n LYS 8 Ca -0.18 0.22 -0.14 0.00 -0.00 0.00 0.00 58.31 58.21 2qbi n LYS 8 Cb 0.56 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.96 2qbi n LYS 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qbi s PHE 9 N -2.92 -0.42 0.52 5.64 0.08 -1.26 -5.04 117.98 114.58 2qbi s PHE 9 Ca 0.09 0.84 0.17 0.00 0.12 0.00 0.00 56.93 58.14 2qbi s PHE 9 Cb 0.10 -0.09 1.28 0.00 -0.57 0.00 0.00 43.02 43.74 2qbi s PHE 9 CO 0.27 -0.42 2.14 -0.09 -0.10 0.00 0.00 175.22 177.03 2qbi h ARG 10 N 8.29 0.00 -3.82 0.44 2.43 -2.03 -3.41 114.38 116.27 2qbi h ARG 10 Ca -0.15 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.60 2qbi h ARG 10 Cb 1.12 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.31 2qbi h ARG 10 CO 0.17 0.01 -0.77 0.15 -1.51 0.00 0.00 179.97 178.02 2qbi s LYS 11 N -5.02 0.68 0.13 0.20 1.02 -1.26 -4.81 119.74 110.68 2qbi s LYS 11 Ca -0.05 0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2qbi s LYS 11 Cb 0.17 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 2qbi s LYS 11 CO 0.67 -0.22 0.33 1.41 -0.92 0.00 0.00 175.35 176.62 2qbi s MET 12 N 1.56 3.54 0.64 1.68 1.75 -1.26 -5.08 119.30 122.14 2qbi s MET 12 Ca -0.01 -0.25 -0.10 0.00 -1.25 0.00 0.00 55.69 54.08 2qbi s MET 12 Cb -0.13 -2.90 0.16 0.00 2.84 0.00 0.00 34.83 34.80 2qbi s MET 12 CO -0.03 0.49 0.36 0.72 -0.65 0.00 0.00 175.02 175.90 2qbi n HIS 13 N -0.05 -2.56 0.01 4.11 8.25 -1.26 -4.62 115.22 119.10 2qbi n HIS 13 Ca -0.04 -0.29 -0.02 0.00 -0.26 0.00 0.00 57.72 57.11 2qbi n HIS 13 Cb 0.52 -0.60 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 2qbi n HIS 13 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qbi h LYS 14 N 0.00 -0.10 0.00 -0.41 3.64 -2.06 -3.46 116.57 114.19 2qbi h LYS 14 Ca -0.16 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2qbi h LYS 14 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2qbi h LYS 14 CO 0.10 -0.07 -0.07 0.41 -2.27 0.00 0.00 179.45 177.54 2qbi n GLY 15 N 1.47 -1.52 3.54 5.01 0.00 -1.26 -5.03 105.19 107.41 2qbi n GLY 15 Ca -0.01 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 2qbi n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbi s ARG 16 N -0.40 1.01 0.61 1.61 1.70 -1.26 -5.18 118.95 117.04 2qbi s ARG 16 Ca 0.00 -0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 54.77 2qbi s ARG 16 Cb 0.00 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2qbi s ARG 16 CO 0.00 -0.45 0.93 -0.80 -1.08 0.00 0.00 175.30 173.91 2qbi s ASN 17 N -2.63 5.55 0.00 -2.89 0.02 -1.26 -5.03 114.94 108.69 2qbi s ASN 17 Ca 0.06 0.77 0.10 0.00 -1.02 0.00 0.00 52.86 52.77 2qbi s ASN 17 Cb -0.01 -1.73 0.17 0.00 0.02 0.00 0.00 41.25 39.71 2qbi s ASN 17 CO -0.07 -1.12 1.03 0.54 0.02 0.00 0.00 177.10 177.50 2qbi n ARG 18 N -2.66 0.00 -0.59 -0.60 5.12 -1.26 -5.16 116.66 111.52 2qbi n ARG 18 Ca 0.05 -1.33 0.08 0.00 -1.93 0.00 0.00 57.85 54.72 2qbi n ARG 18 Cb 0.58 0.20 -0.02 0.00 -1.16 0.00 0.00 32.46 32.05 2qbi n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbi n GLY 19 N 0.20 -0.92 2.98 -0.13 0.00 -1.26 -4.98 105.19 101.08 2qbi n GLY 19 Ca -0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 2qbi n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbi n LEU 20 N 0.00 -6.05 0.00 0.99 7.99 -0.95 -4.79 117.00 114.19 2qbi n LEU 20 Ca 0.00 0.79 0.00 0.00 -0.01 0.00 0.00 56.01 56.79 2qbi n LEU 20 Cb 0.27 -2.63 0.00 0.00 -0.11 0.00 0.00 43.42 40.94 2qbi n LEU 20 CO 0.00 -2.16 0.00 0.00 -1.51 0.00 0.00 177.39 173.72 2qbi n ALA 21 N 0.60 0.00 0.02 -1.18 0.00 -0.12 -4.94 120.51 114.88 2qbi n ALA 21 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbi n ALA 21 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 2qbi n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbi n GLN 22 N 0.00 0.01 -1.81 0.00 1.13 -1.26 -4.90 117.38 110.55 2qbi n GLN 22 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 2qbi n GLN 22 Cb 0.00 -0.22 -0.07 0.00 0.11 0.00 0.00 30.24 30.06 2qbi n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qbi s GLY 23 N -3.40 -0.40 0.00 1.08 0.00 -1.26 -4.78 107.32 98.57 2qbi s GLY 23 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2qbi s GLY 23 CO 0.01 3.90 0.01 2.41 0.00 0.00 0.00 173.10 179.42 2qbi n THR 24 N 8.39 0.00 -2.06 0.90 -1.04 -1.26 -1.91 114.28 117.29 2qbi n THR 24 Ca 0.43 0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 62.12 2qbi n THR 24 Cb 0.45 -0.15 0.01 0.00 -1.82 0.00 0.00 70.33 68.82 2qbi n THR 24 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2qbi s ASP 25 N -1.10 5.87 1.10 8.00 3.84 -1.26 -4.37 116.67 128.75 2qbi s ASP 25 Ca 0.00 2.52 -0.20 0.00 -0.00 0.00 0.00 52.55 54.87 2qbi s ASP 25 Cb 0.00 -2.62 0.06 0.00 -1.38 0.00 0.00 42.92 38.98 2qbi s ASP 25 CO 0.00 -1.14 -0.21 1.33 -0.00 0.00 0.00 175.17 175.15 2qbi n VAL 26 N -0.60 0.00 -1.63 2.11 0.24 -1.26 -4.98 118.33 112.21 2qbi n VAL 26 Ca 0.08 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2qbi n VAL 26 Cb 0.46 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2qbi n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qbi n SER 27 N -0.95 0.00 0.00 -1.34 7.64 -1.26 -4.94 113.62 112.77 2qbi n SER 27 Ca 0.00 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2qbi n SER 27 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2qbi n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbi n PHE 28 N 0.00 0.00 0.00 1.43 3.72 -1.26 -5.11 117.46 116.24 2qbi n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2qbi n PHE 28 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2qbi n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbi n GLY 29 N 0.00 4.46 0.00 1.37 0.00 -1.26 -4.94 105.19 104.82 2qbi n GLY 29 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2qbi n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbi n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.45 -4.78 113.62 114.31 2qbi n SER 30 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2qbi n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbi n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qbi n PHE 31 N 0.00 0.00 0.00 7.33 3.01 -1.20 -1.99 117.46 124.60 2qbi n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qbi n PHE 31 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2qbi n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbi n GLY 32 N 0.00 0.24 3.63 1.37 0.00 -1.26 -3.97 105.19 105.20 2qbi n GLY 32 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 2qbi n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbi s LEU 33 N 0.00 -0.64 0.30 0.99 1.43 -0.98 -4.72 118.68 115.06 2qbi s LEU 33 Ca 0.00 1.22 0.06 0.00 -1.03 0.00 0.00 54.13 54.38 2qbi s LEU 33 Cb 0.00 2.23 -0.02 0.00 0.03 0.00 0.00 46.19 48.43 2qbi s LEU 33 CO 0.00 -0.21 0.39 -0.75 0.23 0.00 0.00 176.35 176.01 2qbi s LYS 34 N 0.39 3.13 -0.06 1.70 2.47 -0.73 -1.02 119.74 125.63 2qbi s LYS 34 Ca 0.01 -0.99 -0.12 0.00 -1.56 0.00 0.00 55.97 53.30 2qbi s LYS 34 Cb -0.05 -2.77 -0.08 0.00 -1.46 0.00 0.00 37.83 33.47 2qbi s LYS 34 CO -0.03 0.19 0.49 0.00 0.16 0.00 0.00 175.35 176.16 2qbi h ALA 35 N 1.07 -0.30 0.00 3.13 0.00 -1.41 -3.30 119.26 118.45 2qbi h ALA 35 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qbi h ALA 35 Cb 1.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qbi h ALA 35 CO 0.56 -0.29 0.00 0.28 0.00 0.00 0.00 179.25 179.80 2qbi n VAL 36 N -4.97 0.00 -4.42 0.00 0.31 -1.26 -4.18 118.33 103.81 2qbi n VAL 36 Ca -0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 2qbi n VAL 36 Cb 0.17 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.99 2qbi n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qbi s GLY 37 N 0.00 1.76 0.57 2.92 0.00 -1.24 -4.60 107.32 106.74 2qbi s GLY 37 Ca 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.88 2qbi s GLY 37 CO 0.00 -1.74 1.02 1.09 0.00 0.00 0.00 173.10 173.47 2qbi s ARG 38 N -2.95 3.61 0.00 2.90 1.70 -1.26 -3.77 118.95 119.18 2qbi s ARG 38 Ca 0.24 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.49 2qbi s ARG 38 Cb -0.07 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2qbi s ARG 38 CO 0.12 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.19 2qbi n GLY 39 N -1.67 -0.69 3.63 3.88 0.00 -0.16 -4.93 105.19 105.25 2qbi n GLY 39 Ca 0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2qbi n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbi s ARG 40 N -1.01 0.70 -0.25 1.61 1.70 -1.26 -2.26 118.95 118.18 2qbi s ARG 40 Ca 0.00 0.87 -0.07 0.00 -0.47 0.00 0.00 55.73 56.05 2qbi s ARG 40 Cb 0.00 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2qbi s ARG 40 CO 0.00 -0.09 0.07 -0.51 -1.08 0.00 0.00 175.30 173.70 2qbi s LEU 41 N 0.45 3.48 0.00 -1.89 1.43 0.79 -4.78 118.68 118.16 2qbi s LEU 41 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2qbi s LEU 41 Cb -0.05 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2qbi s LEU 41 CO -0.03 -0.03 0.78 0.35 0.23 0.00 0.00 176.35 177.65 2qbi n THR 42 N 4.88 0.78 0.00 5.49 -2.24 -1.26 0.26 114.28 122.19 2qbi n THR 42 Ca -0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2qbi n THR 42 Cb 0.51 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2qbi n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbi n ALA 43 N 0.65 0.00 -0.05 6.98 0.00 -1.18 -3.73 120.51 123.18 2qbi n ALA 43 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 2qbi n ALA 43 Cb 0.38 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.39 2qbi n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbi h ARG 44 N 0.00 0.00 0.03 0.00 2.43 -1.89 0.98 114.38 115.94 2qbi h ARG 44 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbi h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qbi h ARG 44 CO 0.00 0.00 -0.01 1.96 -1.51 0.00 0.00 179.97 180.41 2qbi h GLN 45 N 0.00 -0.04 -0.90 0.20 4.20 -1.92 -1.84 115.11 114.81 2qbi h GLN 45 Ca 0.33 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.14 2qbi h GLN 45 Cb 2.06 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.77 2qbi h GLN 45 CO -0.00 0.66 0.54 -0.84 -0.67 0.00 0.00 178.83 178.52 2qbi h ILE 46 N -0.90 0.95 0.03 2.54 3.07 0.53 0.31 117.51 124.04 2qbi h ILE 46 Ca -0.00 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 66.09 2qbi h ILE 46 Cb 0.71 -0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.22 2qbi h ILE 46 CO 0.01 0.17 -0.02 -0.08 -1.05 0.00 0.00 178.15 177.18 2qbi h GLU 47 N 0.91 -0.04 -0.88 0.16 4.22 -0.83 0.39 114.58 118.51 2qbi h GLU 47 Ca 0.43 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.99 2qbi h GLU 47 Cb 0.35 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 2qbi h GLU 47 CO -0.24 0.29 0.50 0.00 -2.18 0.00 0.00 179.01 177.39 2qbi h ALA 48 N 0.58 1.30 -0.35 2.92 0.00 -0.54 0.27 119.26 123.44 2qbi h ALA 48 Ca -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2qbi h ALA 48 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qbi h ALA 48 CO 0.01 0.06 -0.37 0.00 0.00 0.00 0.00 179.25 178.95 2qbi h ALA 49 N 1.51 0.52 -0.52 0.00 0.00 -0.22 -3.09 119.26 117.46 2qbi h ALA 49 Ca 0.45 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qbi h ALA 49 Cb 0.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qbi h ALA 49 CO -0.29 0.61 0.33 -0.09 0.00 0.00 0.00 179.25 179.82 2qbi h ARG 50 N 0.67 0.66 0.21 0.00 2.43 0.17 -1.01 114.38 117.51 2qbi h ARG 50 Ca 0.05 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2qbi h ARG 50 Cb 0.96 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 2qbi h ARG 50 CO 0.09 0.44 -0.43 0.00 -1.51 0.00 0.00 179.97 178.55 2qbi h ARG 51 N 0.68 -0.70 -0.87 0.20 3.08 -0.51 0.18 114.38 116.44 2qbi h ARG 51 Ca 0.20 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.40 2qbi h ARG 51 Cb -0.05 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2qbi h ARG 51 CO -0.06 -0.47 0.56 0.00 -1.07 0.00 0.00 179.97 178.93 2qbi h ALA 52 N -0.32 1.68 0.16 0.04 0.00 -1.45 0.54 119.26 119.91 2qbi h ALA 52 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qbi h ALA 52 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2qbi h ALA 52 CO -0.20 0.14 -0.14 1.98 0.00 0.00 0.00 179.25 181.03 2qbi h MET 53 N 0.83 -0.28 -0.22 0.00 -1.53 0.24 -3.07 114.93 110.89 2qbi h MET 53 Ca 0.40 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.73 2qbi h MET 53 Cb 0.44 0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 31.48 2qbi h MET 53 CO -0.17 -0.19 -0.42 1.15 0.14 0.00 0.00 176.91 177.42 2qbi h THR 54 N -0.29 0.13 -0.19 -0.77 2.02 -0.35 -3.17 112.91 110.28 2qbi h THR 54 Ca -0.02 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.78 2qbi h THR 54 Cb 0.25 0.13 0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2qbi h THR 54 CO -0.01 0.00 1.19 -1.14 0.37 0.00 0.00 175.52 175.93 2qbi n ARG 55 N -5.43 1.00 0.00 6.66 0.63 0.15 -0.01 116.66 119.66 2qbi n ARG 55 Ca -0.03 -1.92 0.00 0.00 -0.92 0.00 0.00 57.85 54.98 2qbi n ARG 55 Cb 0.36 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 29.88 2qbi n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbi n ALA 56 N 13.10 0.00 1.55 5.13 0.00 -1.20 -4.79 120.51 134.30 2qbi n ALA 56 Ca 0.46 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.97 2qbi n ALA 56 Cb 0.44 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.23 2qbi n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbi n VAL 57 N 0.00 0.15 0.00 0.00 0.31 0.99 -4.90 118.33 114.87 2qbi n VAL 57 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2qbi n VAL 57 Cb 0.00 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 2qbi n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qbi n LYS 58 N -0.14 0.00 0.00 5.55 4.01 -1.16 -1.82 118.16 124.60 2qbi n LYS 58 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2qbi n LYS 58 Cb 0.18 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 2qbi n LYS 58 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2qbi n ARG 59 N 0.00 0.00 -0.96 1.97 0.00 -1.26 -4.91 116.66 111.50 2qbi n ARG 59 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2qbi n ARG 59 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 32.46 32.60 2qbi n ARG 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2qbi s GLN 60 N 0.00 1.39 0.13 2.89 -2.07 -0.75 -4.85 119.66 116.41 2qbi s GLN 60 Ca 0.00 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.24 2qbi s GLN 60 Cb 0.00 -1.75 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 2qbi s GLN 60 CO 0.00 -2.39 0.00 0.41 -1.32 0.00 0.00 175.29 171.99 2qbi n GLY 61 N 0.44 -2.06 3.35 2.60 0.00 -0.52 -4.86 105.19 104.14 2qbi n GLY 61 Ca 0.13 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 2qbi n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbi s LYS 62 N -2.24 1.52 0.31 1.61 2.20 -1.26 -4.78 119.74 117.09 2qbi s LYS 62 Ca 0.00 -1.19 0.11 0.00 -0.36 0.00 0.00 55.97 54.52 2qbi s LYS 62 Cb 0.00 -1.83 -0.06 0.00 -1.51 0.00 0.00 37.83 34.43 2qbi s LYS 62 CO 0.00 0.45 -0.15 0.42 -0.36 0.00 0.00 175.35 175.71 2qbi s ILE 63 N -0.95 2.36 0.01 5.43 1.09 -1.26 -3.20 121.20 124.68 2qbi s ILE 63 Ca 0.12 -2.31 -0.07 0.00 -1.10 0.00 0.00 60.65 57.28 2qbi s ILE 63 Cb -0.10 -2.47 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 2qbi s ILE 63 CO 0.04 -0.31 0.14 0.26 -0.10 0.00 0.00 174.94 174.97 2qbi s TRP 64 N -2.56 0.05 -0.44 3.97 0.51 -0.85 -4.95 118.94 114.67 2qbi s TRP 64 Ca 0.31 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 54.14 2qbi s TRP 64 Cb -0.01 -0.05 0.14 0.00 -0.81 0.00 0.00 33.47 32.74 2qbi s TRP 64 CO 0.16 -0.31 0.26 0.42 -0.51 0.00 0.00 176.95 176.97 2qbi s ILE 65 N -1.58 1.19 -2.00 2.03 1.09 -1.26 -2.25 121.20 118.41 2qbi s ILE 65 Ca -0.13 -2.56 0.06 0.00 -1.10 0.00 0.00 60.65 56.92 2qbi s ILE 65 Cb -0.07 -1.83 0.16 0.00 -1.06 0.00 0.00 42.46 39.67 2qbi s ILE 65 CO 0.01 -0.96 0.86 0.54 -0.10 0.00 0.00 174.94 175.29 2qbi n ARG 66 N 3.43 0.58 -4.64 2.79 1.74 -1.15 -4.70 116.66 114.70 2qbi n ARG 66 Ca 0.12 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 2qbi n ARG 66 Cb 0.36 -1.15 -0.12 0.00 -1.02 0.00 0.00 32.46 30.54 2qbi n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qbi s VAL 67 N -2.00 3.27 0.01 1.55 -7.23 -1.26 -4.93 120.40 109.81 2qbi s VAL 67 Ca 0.08 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2qbi s VAL 67 Cb 0.04 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2qbi s VAL 67 CO 0.06 0.45 0.01 0.12 -0.31 0.00 0.00 175.10 175.43 2qbi s PHE 68 N -0.89 0.16 0.00 2.82 5.36 -1.26 -5.11 117.98 119.05 2qbi s PHE 68 Ca 0.15 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 2qbi s PHE 68 Cb -0.11 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.45 2qbi s PHE 68 CO 0.05 -0.17 0.33 -0.35 -1.46 0.00 0.00 175.22 173.61 2qbi n PRO 69 N 1.87 0.00 0.00 10.12 -0.04 -1.26 -4.40 135.00 141.29 2qbi n PRO 69 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2qbi n PRO 69 Cb 0.56 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 2qbi n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qbi n ASP 70 N -0.42 0.00 -4.54 3.54 2.03 -1.24 -4.14 116.55 111.77 2qbi n ASP 70 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2qbi n ASP 70 Cb 0.00 -1.28 -0.11 0.00 -0.72 0.00 0.00 41.12 39.01 2qbi n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2qbi s LYS 71 N 0.00 3.62 0.00 -0.67 2.20 -1.00 -5.01 119.74 118.88 2qbi s LYS 71 Ca 0.00 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2qbi s LYS 71 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2qbi s LYS 71 CO 0.00 -0.37 0.49 -2.30 -0.36 0.00 0.00 175.35 172.81 2qbi n PRO 72 N 5.09 0.00 -2.18 4.03 -0.02 -1.26 -1.49 135.00 139.17 2qbi n PRO 72 Ca -0.13 0.22 -0.03 0.00 -2.02 0.00 0.00 63.50 61.54 2qbi n PRO 72 Cb 0.50 -0.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.97 2qbi n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbi n ILE 73 N -0.72 -8.95 0.00 4.25 2.08 -1.26 -4.15 119.36 110.61 2qbi n ILE 73 Ca 0.00 1.62 0.00 0.00 0.56 0.00 0.00 62.75 64.93 2qbi n ILE 73 Cb 0.00 -5.46 0.00 0.00 -0.75 0.00 0.00 39.64 33.43 2qbi n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qbi n THR 74 N 0.94 0.00 -3.64 1.39 -2.24 -1.26 -3.78 114.28 105.69 2qbi n THR 74 Ca -0.22 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2qbi n THR 74 Cb 0.34 -1.87 -0.07 0.00 -2.10 0.00 0.00 70.33 66.63 2qbi n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qbi s GLU 75 N 0.00 0.30 -0.11 -0.78 2.12 -1.08 -4.70 118.70 114.45 2qbi s GLU 75 Ca 0.00 0.32 -0.14 0.00 0.36 0.00 0.00 54.97 55.51 2qbi s GLU 75 Cb 0.00 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2qbi s GLU 75 CO 0.00 -0.04 0.34 0.15 -0.54 0.00 0.00 175.26 175.16 2qbi s LYS 76 N 0.01 4.13 1.01 4.30 -0.14 -1.26 -2.85 119.74 124.93 2qbi s LYS 76 Ca 0.05 0.21 -0.17 0.00 -1.36 0.00 0.00 55.97 54.69 2qbi s LYS 76 Cb -0.05 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 2qbi s LYS 76 CO -0.10 0.37 -0.28 -2.30 -0.76 0.00 0.00 175.35 172.29 2qbi n PRO 77 N 3.07 -0.45 0.00 -1.68 -0.02 -1.26 -4.94 135.00 129.71 2qbi n PRO 77 Ca -0.12 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2qbi n PRO 77 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2qbi n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qbi n LEU 78 N 0.56 0.00 -4.55 2.45 4.32 -1.26 -4.39 117.00 114.12 2qbi n LEU 78 Ca 0.02 0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.76 2qbi n LEU 78 Cb 0.59 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.32 2qbi n LEU 78 CO 0.50 0.00 0.34 0.00 -1.22 0.00 0.00 177.39 177.02 2qbi s ALA 79 N -2.62 3.43 -0.29 -1.18 0.00 -1.26 -5.00 121.76 114.84 2qbi s ALA 79 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 2qbi s ALA 79 Cb 0.00 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 20.11 2qbi s ALA 79 CO 0.00 -1.44 1.19 0.54 0.00 0.00 0.00 175.76 176.05 2qbi s VAL 80 N 2.66 0.00 0.30 0.00 0.11 -1.26 -5.15 120.40 117.06 2qbi s VAL 80 Ca 0.22 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.98 2qbi s VAL 80 Cb -0.15 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.60 2qbi s VAL 80 CO 0.16 0.00 1.45 -0.13 -3.33 0.00 0.00 175.10 173.25 2qbi s ARG 81 N 0.51 4.22 1.14 1.54 3.00 -1.26 -4.98 118.95 123.12 2qbi s ARG 81 Ca 0.00 2.40 -0.18 0.00 0.00 0.00 0.00 55.73 57.95 2qbi s ARG 81 Cb -0.04 -3.06 0.16 0.00 0.00 0.00 0.00 34.95 32.01 2qbi s ARG 81 CO -0.12 -0.44 0.23 -1.33 0.00 0.00 0.00 175.30 173.64 2qbi n MET 82 N 1.62 -2.17 -2.63 3.54 2.81 -1.26 -4.40 117.12 114.63 2qbi n MET 82 Ca 0.04 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 2qbi n MET 82 Cb 0.40 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2qbi n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbi n GLY 83 N 2.05 0.00 0.00 3.03 0.00 -1.26 -4.92 105.19 104.09 2qbi n GLY 83 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2qbi n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbi n LYS 84 N 1.36 0.00 0.00 1.61 4.76 -1.26 -5.12 118.16 119.51 2qbi n LYS 84 Ca 0.00 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2qbi n LYS 84 Cb 0.32 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 2qbi n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbi n GLY 85 N 0.00 3.75 3.41 0.72 0.00 -1.26 -5.07 105.19 106.74 2qbi n GLY 85 Ca 0.00 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2qbi n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbi n LYS 86 N -0.07 0.39 0.00 1.61 4.81 -1.26 -4.96 118.16 118.68 2qbi n LYS 86 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2qbi n LYS 86 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 2qbi n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbi n GLY 87 N 1.97 -3.16 3.20 3.14 0.00 -1.26 -5.04 105.19 104.03 2qbi n GLY 87 Ca 0.11 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 2qbi n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbi s ASN 88 N -1.96 1.80 -0.48 1.61 -0.87 -1.13 -4.83 114.94 109.08 2qbi s ASN 88 Ca 0.00 -0.69 -0.27 0.00 -1.57 0.00 0.00 52.86 50.34 2qbi s ASN 88 Cb 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.25 41.13 2qbi s ASN 88 CO 0.00 -0.10 2.17 -0.69 -2.57 0.00 0.00 177.10 175.91 2qbi s VAL 89 N -1.57 3.15 -0.06 1.60 1.01 -1.26 -2.63 120.40 120.64 2qbi s VAL 89 Ca 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2qbi s VAL 89 Cb -0.08 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2qbi s VAL 89 CO 0.02 -0.31 -0.05 -0.08 0.00 0.00 0.00 175.10 174.68 2qbi h GLU 90 N 17.03 0.00 0.00 2.72 4.57 -1.83 -3.50 114.58 133.57 2qbi h GLU 90 Ca -0.28 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.63 2qbi h GLU 90 Cb 1.22 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 2qbi h GLU 90 CO 1.14 0.00 -0.21 2.48 -1.18 0.00 0.00 179.01 181.24 2qbi n TYR 91 N -3.35 0.38 -3.81 0.92 -0.00 -1.26 -5.13 117.16 104.91 2qbi n TYR 91 Ca -0.02 -1.11 -0.28 0.00 -0.00 0.00 0.00 57.90 56.49 2qbi n TYR 91 Cb 0.08 -0.11 -0.16 0.00 -0.00 0.00 0.00 39.34 39.15 2qbi n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qbi s TRP 92 N -1.91 1.48 0.38 -3.48 0.52 -1.26 -4.51 118.94 110.17 2qbi s TRP 92 Ca 0.03 -1.11 0.05 0.00 0.02 0.00 0.00 56.10 55.08 2qbi s TRP 92 Cb 0.00 -1.21 -0.00 0.00 -1.15 0.00 0.00 33.47 31.11 2qbi s TRP 92 CO 0.02 -0.65 0.55 0.54 0.02 0.00 0.00 176.95 177.43 2qbi s VAL 93 N 1.70 3.90 -0.29 4.03 0.11 -0.55 -3.11 120.40 126.19 2qbi s VAL 93 Ca -0.02 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2qbi s VAL 93 Cb -0.17 -3.38 0.08 0.00 -1.53 0.00 0.00 36.38 31.39 2qbi s VAL 93 CO -0.07 -0.18 0.03 0.00 -3.33 0.00 0.00 175.10 171.54 2qbi s ALA 94 N -2.33 2.04 -0.27 1.54 0.00 0.74 -2.38 121.76 121.11 2qbi s ALA 94 Ca 0.47 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.40 2qbi s ALA 94 Cb -0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2qbi s ALA 94 CO 0.33 -1.48 1.95 -0.51 0.00 0.00 0.00 175.76 176.06 2qbi s LEU 95 N 1.35 3.54 0.13 0.00 1.02 -1.26 -0.15 118.68 123.31 2qbi s LEU 95 Ca 0.04 1.60 0.10 0.00 0.02 0.00 0.00 54.13 55.89 2qbi s LEU 95 Cb -0.18 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 2qbi s LEU 95 CO -0.13 -1.75 -0.25 0.27 0.02 0.00 0.00 176.35 174.51 2qbi s ILE 96 N 7.22 2.15 0.18 -0.59 -4.36 -0.96 -4.98 121.20 119.85 2qbi s ILE 96 Ca 0.87 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 2qbi s ILE 96 Cb -0.27 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2qbi s ILE 96 CO 0.34 0.04 -0.02 0.00 0.24 0.00 0.00 174.94 175.54 2qbi s GLN 97 N -2.07 1.13 0.03 0.37 0.00 -1.26 -0.99 119.66 116.87 2qbi s GLN 97 Ca 0.13 -1.54 -0.38 0.00 -0.00 0.00 0.00 55.36 53.57 2qbi s GLN 97 Cb -0.10 -0.39 -0.18 0.00 0.00 0.00 0.00 33.01 32.34 2qbi s GLN 97 CO 0.06 -0.08 1.26 -2.30 0.00 0.00 0.00 175.29 174.22 2qbi n PRO 98 N -0.26 0.70 -0.98 9.60 -0.02 -1.25 -2.54 135.00 140.26 2qbi n PRO 98 Ca -0.07 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2qbi n PRO 98 Cb 0.63 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2qbi n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbi n GLY 99 N 2.22 1.16 3.74 -1.23 0.00 -1.26 -0.95 105.19 108.88 2qbi n GLY 99 Ca 0.19 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 2qbi n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbi s LYS 100 N -2.44 3.07 -0.78 1.61 2.36 -1.05 -4.06 119.74 118.46 2qbi s LYS 100 Ca 0.00 -0.39 -0.23 0.00 -2.55 0.00 0.00 55.97 52.81 2qbi s LYS 100 Cb 0.00 -2.88 0.07 0.00 -1.05 0.00 0.00 37.83 33.98 2qbi s LYS 100 CO 0.00 0.70 1.12 0.54 1.55 0.00 0.00 175.35 179.26 2qbi s VAL 101 N -1.00 4.24 -0.02 4.02 0.11 -0.80 -1.12 120.40 125.82 2qbi s VAL 101 Ca 0.16 -0.53 -0.20 0.00 -2.93 0.00 0.00 61.98 58.49 2qbi s VAL 101 Cb -0.12 -4.80 -0.12 0.00 -1.53 0.00 0.00 36.38 29.82 2qbi s VAL 101 CO 0.06 -1.61 0.85 -0.07 -3.33 0.00 0.00 175.10 170.99 2qbi h LEU 102 N 11.67 -0.52 0.00 2.54 -0.00 -1.38 -3.32 115.31 124.30 2qbi h LEU 102 Ca -0.13 -0.04 -0.51 0.00 -0.00 0.00 0.00 57.88 57.21 2qbi h LEU 102 Cb 1.05 0.13 -0.12 0.00 -0.00 0.00 0.00 40.66 41.72 2qbi h LEU 102 CO 1.22 -0.09 -0.45 -1.22 -0.00 0.00 0.00 178.44 177.89 2qbi n TYR 103 N -5.19 -0.26 -3.66 1.13 4.02 -1.24 -2.93 117.16 109.02 2qbi n TYR 103 Ca -0.09 -2.61 -0.11 0.00 -0.01 0.00 0.00 57.90 55.08 2qbi n TYR 103 Cb 0.27 0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.63 2qbi n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qbi s GLU 104 N -3.42 0.69 0.47 -0.72 2.02 -0.95 -2.33 118.70 114.45 2qbi s GLU 104 Ca 0.28 0.98 0.06 0.00 0.02 0.00 0.00 54.97 56.31 2qbi s GLU 104 Cb 0.01 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.47 2qbi s GLU 104 CO 0.20 -0.12 0.21 1.41 0.02 0.00 0.00 175.26 176.99 2qbi s MET 105 N 0.87 2.23 0.00 1.61 1.75 -1.26 -2.00 119.30 122.51 2qbi s MET 105 Ca -0.04 -2.00 0.00 0.00 -1.25 0.00 0.00 55.69 52.40 2qbi s MET 105 Cb -0.05 -1.93 0.00 0.00 2.84 0.00 0.00 34.83 35.69 2qbi s MET 105 CO -0.07 -0.31 0.00 -3.47 -0.65 0.00 0.00 175.02 170.52 2qbi n ASP 106 N -1.40 0.00 -3.23 1.11 2.03 -1.20 -0.41 116.55 113.46 2qbi n ASP 106 Ca -0.05 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.03 2qbi n ASP 106 Cb 0.65 0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 41.10 2qbi n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qbi n GLY 107 N -1.06 2.85 3.56 0.27 0.00 -1.26 -4.74 105.19 104.81 2qbi n GLY 107 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2qbi n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi s VAL 108 N 3.86 0.00 0.56 1.61 0.11 -1.26 -1.43 120.40 123.84 2qbi s VAL 108 Ca 0.38 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 2qbi s VAL 108 Cb 0.10 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2qbi s VAL 108 CO -0.00 0.00 0.57 -2.65 -3.33 0.00 0.00 175.10 169.69 2qbi n PRO 109 N 0.44 0.56 0.00 1.54 -0.02 -1.26 -4.73 135.00 131.53 2qbi n PRO 109 Ca -0.09 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.67 2qbi n PRO 109 Cb 0.59 -1.73 0.33 0.00 -0.02 0.00 0.00 33.50 32.67 2qbi n PRO 109 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2qbi n GLU 110 N -0.08 0.23 -0.08 -0.52 0.00 -1.26 -1.71 120.64 117.22 2qbi n GLU 110 Ca 0.12 0.13 -0.08 0.00 0.00 0.00 0.00 57.16 57.32 2qbi n GLU 110 Cb 0.47 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.29 2qbi n GLU 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2qbi n GLU 111 N -1.22 1.37 -0.05 3.44 -0.58 -1.26 -3.93 120.64 118.40 2qbi n GLU 111 Ca 0.07 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.69 2qbi n GLU 111 Cb 0.09 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 2qbi n GLU 111 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qbi h LEU 112 N 0.00 0.32 0.42 -4.62 7.12 -1.63 -0.03 115.31 116.89 2qbi h LEU 112 Ca -0.42 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.18 2qbi h LEU 112 Cb 1.93 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.96 2qbi h LEU 112 CO 0.01 0.65 -0.36 0.00 -0.13 0.00 0.00 178.44 178.62 2qbi h ALA 113 N 0.68 -0.81 -0.42 1.25 0.00 -1.58 -2.52 119.26 115.86 2qbi h ALA 113 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2qbi h ALA 113 Cb 0.53 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2qbi h ALA 113 CO 0.02 -0.99 -0.34 -0.09 0.00 0.00 0.00 179.25 177.85 2qbi h ARG 114 N -0.79 -0.25 -4.78 0.00 2.43 -1.67 -2.28 114.38 107.05 2qbi h ARG 114 Ca -0.04 0.02 -0.71 0.00 -0.81 0.00 0.00 59.98 58.44 2qbi h ARG 114 Cb 0.69 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 2qbi h ARG 114 CO -0.03 -0.16 2.44 -1.91 -1.51 0.00 0.00 179.97 178.80 2qbi n GLU 115 N -5.42 3.13 0.03 0.20 0.00 -0.03 -3.07 120.64 115.49 2qbi n GLU 115 Ca 0.01 -3.12 0.00 0.00 0.00 0.00 0.00 57.16 54.06 2qbi n GLU 115 Cb 0.34 -3.31 0.00 0.00 0.00 0.00 0.00 31.44 28.47 2qbi n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbi n ALA 116 N 6.73 0.00 0.15 4.31 0.00 -0.92 -4.77 120.51 126.01 2qbi n ALA 116 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.97 2qbi n ALA 116 Cb 0.42 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.15 2qbi n ALA 116 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qbi n PHE 117 N -2.94 0.32 0.07 0.00 3.72 -0.91 -0.25 117.46 117.47 2qbi n PHE 117 Ca 0.00 0.16 -0.06 0.00 -0.05 0.00 0.00 57.45 57.49 2qbi n PHE 117 Cb 0.00 -0.75 -0.04 0.00 -0.94 0.00 0.00 39.48 37.75 2qbi n PHE 117 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2qbi h LYS 118 N 0.00 -0.27 0.00 -1.08 3.64 -1.80 0.24 116.57 117.30 2qbi h LYS 118 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qbi h LYS 118 Cb 0.07 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2qbi h LYS 118 CO 0.00 -0.08 0.00 1.28 -2.27 0.00 0.00 179.45 178.38 2qbi n LEU 119 N -4.96 0.00 -0.05 5.20 4.77 -0.42 -1.60 117.00 119.94 2qbi n LEU 119 Ca -0.05 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2qbi n LEU 119 Cb 0.16 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2qbi n LEU 119 CO 0.13 -0.24 -0.21 0.00 -1.33 0.00 0.00 177.39 175.74 2qbi h ALA 120 N 2.45 0.00 0.00 -1.18 0.00 -0.51 -3.36 119.26 116.66 2qbi h ALA 120 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qbi h ALA 120 Cb 0.14 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qbi h ALA 120 CO 0.00 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.58 2qbi n ALA 121 N -3.12 0.98 -0.12 0.00 0.00 0.84 -1.04 120.51 118.05 2qbi n ALA 121 Ca -0.04 0.10 0.17 0.00 0.00 0.00 0.00 53.44 53.67 2qbi n ALA 121 Cb 0.16 -1.12 0.56 0.00 0.00 0.00 0.00 19.45 19.05 2qbi n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ALA 122 N 1.91 2.25 0.00 0.00 0.00 -1.44 -2.76 119.26 119.21 2qbi h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qbi h ALA 122 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qbi h ALA 122 CO 0.00 -0.44 -0.14 0.87 0.00 0.00 0.00 179.25 179.54 2qbi h LYS 123 N 0.29 0.00 -3.26 0.00 1.79 -1.32 -3.47 116.57 110.60 2qbi h LYS 123 Ca 0.34 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.38 2qbi h LYS 123 Cb 0.93 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.60 2qbi h LYS 123 CO -0.08 0.00 0.07 1.28 -1.08 0.00 0.00 179.45 179.64 2qbi n LEU 124 N -4.01 0.07 -0.18 2.94 4.77 -1.04 -4.84 117.00 114.71 2qbi n LEU 124 Ca -0.02 0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 56.50 2qbi n LEU 124 Cb 0.07 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2qbi n LEU 124 CO 0.03 -0.97 0.86 -0.65 -1.33 0.00 0.00 177.39 175.33 2qbi h PRO 125 N 1.76 0.85 -6.80 3.23 0.11 -1.91 -3.44 132.00 125.79 2qbi h PRO 125 Ca -0.27 -0.23 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 2qbi h PRO 125 Cb 0.77 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.79 2qbi h PRO 125 CO 0.37 0.84 0.43 0.42 -0.21 0.00 0.00 178.00 179.86 2qbi s ILE 126 N -5.18 3.68 -0.12 4.15 1.09 -1.26 -4.99 121.20 118.56 2qbi s ILE 126 Ca -0.13 1.66 -0.30 0.00 -1.10 0.00 0.00 60.65 60.79 2qbi s ILE 126 Cb 0.12 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 2qbi s ILE 126 CO 0.81 0.37 1.31 -0.54 -0.10 0.00 0.00 174.94 176.78 2qbi s LYS 127 N -1.45 4.25 0.41 2.79 3.01 -1.26 -4.98 119.74 122.51 2qbi s LYS 127 Ca 0.44 1.75 0.07 0.00 -1.01 0.00 0.00 55.97 57.23 2qbi s LYS 127 Cb -0.29 -3.73 -0.05 0.00 -1.01 0.00 0.00 37.83 32.74 2qbi s LYS 127 CO 0.37 -0.66 0.17 0.95 0.51 0.00 0.00 175.35 176.69 2qbi s THR 128 N 3.20 2.31 0.30 2.17 -4.23 -1.26 -3.62 115.64 114.51 2qbi s THR 128 Ca 0.58 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2qbi s THR 128 Cb -0.24 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 2qbi s THR 128 CO 0.19 -0.01 0.11 0.28 -0.54 0.00 0.00 174.62 174.65 2qbi s THR 129 N -2.60 0.58 0.10 3.99 -1.32 -1.24 -4.94 115.64 110.21 2qbi s THR 129 Ca 0.41 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.87 2qbi s THR 129 Cb 0.04 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.39 2qbi s THR 129 CO 0.22 0.00 0.28 0.12 -2.21 0.00 0.00 174.62 173.04 2qbi s PHE 130 N -3.58 3.50 0.35 9.09 5.36 -1.26 -1.76 117.98 129.67 2qbi s PHE 130 Ca 0.35 0.35 0.07 0.00 -0.96 0.00 0.00 56.93 56.75 2qbi s PHE 130 Cb 0.06 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.87 2qbi s PHE 130 CO 0.15 0.52 0.26 0.28 -1.46 0.00 0.00 175.22 174.97 2qbi n VAL 131 N 0.10 0.00 -4.32 3.12 0.31 -1.26 -4.91 118.33 111.37 2qbi n VAL 131 Ca -0.04 -2.45 -0.17 0.00 -0.01 0.00 0.00 64.34 61.67 2qbi n VAL 131 Cb 0.52 1.17 -0.10 0.00 -0.91 0.00 0.00 33.84 34.51 2qbi n VAL 131 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qbi s THR 132 N -3.33 0.49 0.02 2.52 -4.23 -1.26 -4.44 115.64 105.42 2qbi s THR 132 Ca 0.37 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 2qbi s THR 132 Cb 0.02 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 2qbi s THR 132 CO 0.26 0.00 1.18 0.50 -0.54 0.00 0.00 174.62 176.02 2qbi h LYS 133 N 2.36 -0.35 -2.96 3.99 3.64 -1.71 -3.41 116.57 118.14 2qbi h LYS 133 Ca -0.37 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2qbi h LYS 133 Cb 1.25 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2qbi h LYS 133 CO 0.59 -0.24 -0.67 2.41 -2.27 0.00 0.00 179.45 179.28 2qbi n THR 134 N -3.26 -5.55 0.49 1.00 -1.04 -1.26 -4.51 114.28 100.16 2qbi n THR 134 Ca -0.04 1.97 0.08 0.00 -2.04 0.00 0.00 64.05 64.01 2qbi n THR 134 Cb 0.16 -3.09 0.33 0.00 -1.82 0.00 0.00 70.33 65.91 2qbi n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qbi n VAL 135 N 0.44 0.98 -0.38 12.58 0.31 -1.26 -5.00 118.33 125.99 2qbi n VAL 135 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2qbi n VAL 135 Cb 0.00 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2qbi n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31