#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s LEU 10 N 0.00 -0.21 -0.33 -1.84 1.43 -1.25 -3.96 118.68 112.52 2qbj s LEU 10 Ca 0.00 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2qbj s LEU 10 Cb 0.00 0.52 0.02 0.00 0.03 0.00 0.00 46.19 46.76 2qbj s LEU 10 CO 0.00 -0.33 0.14 -1.10 0.23 0.00 0.00 176.35 175.29 2qbj s GLN 11 N 2.37 2.94 -0.80 1.70 -0.21 -0.32 -4.96 119.66 120.37 2qbj s GLN 11 Ca 0.08 -0.98 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 2qbj s GLN 11 Cb -0.16 -3.53 0.21 0.00 1.00 0.00 0.00 33.01 30.53 2qbj s GLN 11 CO -0.15 -0.57 0.71 -1.21 -2.12 0.00 0.00 175.29 171.95 2qbj s GLU 12 N 1.51 3.42 -0.22 2.91 2.02 -1.26 -2.59 118.70 124.49 2qbj s GLU 12 Ca 0.02 -2.50 -0.19 0.00 0.02 0.00 0.00 54.97 52.32 2qbj s GLU 12 Cb -0.18 -4.30 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 2qbj s GLU 12 CO 0.04 -1.27 0.55 0.21 0.02 0.00 0.00 175.26 174.81 2qbj s LYS 13 N 0.08 4.15 -0.29 1.61 2.47 -1.15 -4.99 119.74 121.62 2qbj s LYS 13 Ca 0.18 0.44 -0.29 0.00 -1.56 0.00 0.00 55.97 54.74 2qbj s LYS 13 Cb -0.12 -3.60 0.02 0.00 -1.46 0.00 0.00 37.83 32.67 2qbj s LYS 13 CO -0.08 -0.24 1.06 -1.17 0.16 0.00 0.00 175.35 175.08 2qbj s LEU 14 N 1.93 3.98 -0.02 5.43 1.98 -1.26 -2.72 118.68 128.01 2qbj s LEU 14 Ca 0.24 1.14 -0.12 0.00 -2.89 0.00 0.00 54.13 52.50 2qbj s LEU 14 Cb -0.16 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.09 2qbj s LEU 14 CO 0.09 -0.82 0.66 0.40 -1.89 0.00 0.00 176.35 174.80 2qbj h ILE 15 N 5.65 0.00 -1.76 6.68 2.04 -1.53 -3.49 117.51 125.10 2qbj h ILE 15 Ca -0.20 -0.34 0.23 0.00 1.00 0.00 0.00 64.86 65.54 2qbj h ILE 15 Cb 1.06 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.99 2qbj h ILE 15 CO 1.02 0.00 0.70 0.00 0.00 0.00 0.00 178.15 179.87 2qbj s ALA 16 N -3.80 -2.00 -0.02 1.87 0.00 -1.10 -4.96 121.76 111.74 2qbj s ALA 16 Ca -0.06 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2qbj s ALA 16 Cb 0.01 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2qbj s ALA 16 CO 0.19 -0.77 -0.05 0.54 0.00 0.00 0.00 175.76 175.67 2qbj s VAL 17 N -2.68 0.49 0.26 0.00 0.11 -1.26 -0.81 120.40 116.51 2qbj s VAL 17 Ca 0.10 -0.20 0.10 0.00 -2.93 0.00 0.00 61.98 59.05 2qbj s VAL 17 Cb 0.00 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2qbj s VAL 17 CO -0.05 0.17 -0.05 0.20 -3.33 0.00 0.00 175.10 172.04 2qbj s ASN 18 N 0.29 4.33 0.00 3.54 -0.87 0.68 -4.95 114.94 117.96 2qbj s ASN 18 Ca -0.03 -0.72 0.00 0.00 -1.57 0.00 0.00 52.86 50.54 2qbj s ASN 18 Cb -0.07 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.43 2qbj s ASN 18 CO -0.00 0.02 0.00 -1.14 -2.57 0.00 0.00 177.10 173.40 2qbj n ARG 19 N -0.78 0.00 -0.72 -0.60 0.63 -1.26 -0.87 116.66 113.06 2qbj n ARG 19 Ca -0.06 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2qbj n ARG 19 Cb 0.59 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.93 2qbj n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qbj n VAL 20 N -0.74 -2.01 -4.14 5.15 0.31 -1.26 -2.50 118.33 113.15 2qbj n VAL 20 Ca 0.00 0.85 -0.09 0.00 -0.01 0.00 0.00 64.34 65.08 2qbj n VAL 20 Cb 0.00 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 2qbj n VAL 20 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbj n SER 21 N -1.57 -0.10 -3.27 4.52 3.41 -1.26 -1.24 113.62 114.11 2qbj n SER 21 Ca 0.00 -1.99 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 2qbj n SER 21 Cb 0.13 0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 64.75 2qbj n SER 21 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qbj s LYS 22 N -2.63 0.62 0.30 4.33 2.20 -0.58 -4.93 119.74 119.05 2qbj s LYS 22 Ca 0.17 -0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2qbj s LYS 22 Cb 0.01 -0.21 -0.10 0.00 -1.51 0.00 0.00 37.83 36.02 2qbj s LYS 22 CO 0.12 -1.13 1.16 -0.08 -0.36 0.00 0.00 175.35 175.06 2qbj s THR 23 N 2.08 3.25 0.33 3.43 -1.32 -1.26 -1.64 115.64 120.50 2qbj s THR 23 Ca 0.14 1.26 -0.06 0.00 -1.21 0.00 0.00 61.69 61.82 2qbj s THR 23 Cb -0.10 -3.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.09 2qbj s THR 23 CO -0.15 0.30 0.51 0.68 -2.21 0.00 0.00 174.62 173.75 2qbj s VAL 24 N -1.16 0.00 0.12 5.08 -7.23 0.16 -4.93 120.40 112.44 2qbj s VAL 24 Ca 0.46 -1.49 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 2qbj s VAL 24 Cb -0.34 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2qbj s VAL 24 CO 0.45 0.00 1.13 2.29 -0.31 0.00 0.00 175.10 178.66 2qbj n LYS 25 N -0.52 -0.31 -0.07 4.82 2.85 -1.26 0.03 118.16 123.71 2qbj n LYS 25 Ca -0.01 1.11 -0.07 0.00 -1.05 0.00 0.00 58.31 58.30 2qbj n LYS 25 Cb 0.61 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 33.35 2qbj n LYS 25 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2qbj h GLY 26 N 0.00 0.07 0.00 2.58 0.00 -2.00 -3.48 103.07 100.24 2qbj h GLY 26 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2qbj h GLY 26 CO -0.69 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 176.30 2qbj n GLY 27 N -1.31 -0.55 3.78 4.60 0.00 0.11 -5.13 105.19 106.68 2qbj n GLY 27 Ca -0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2qbj n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbj s ARG 28 N -1.57 4.60 -0.50 1.61 3.52 -1.26 0.39 118.95 125.74 2qbj s ARG 28 Ca 0.00 1.23 0.02 0.00 -0.13 0.00 0.00 55.73 56.84 2qbj s ARG 28 Cb 0.00 -3.15 0.13 0.00 -1.56 0.00 0.00 34.95 30.37 2qbj s ARG 28 CO 0.00 0.49 0.25 0.42 -0.81 0.00 0.00 175.30 175.66 2qbj s ILE 29 N -1.28 2.85 1.01 4.11 1.01 -0.65 -4.91 121.20 123.34 2qbj s ILE 29 Ca 0.40 -2.93 -0.15 0.00 0.00 0.00 0.00 60.65 57.97 2qbj s ILE 29 Cb -0.22 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.34 2qbj s ILE 29 CO 0.27 -0.77 0.23 2.22 0.00 0.00 0.00 174.94 176.89 2qbj n PHE 30 N 3.56 -1.54 -3.50 3.97 1.16 -1.26 -1.53 117.46 118.32 2qbj n PHE 30 Ca 0.05 0.20 -0.03 0.00 -1.87 0.00 0.00 57.45 55.80 2qbj n PHE 30 Cb 0.36 -1.70 0.01 0.00 -1.61 0.00 0.00 39.48 36.54 2qbj n PHE 30 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2qbj n SER 31 N -1.29 -0.89 -3.68 5.98 2.88 -0.38 -4.80 113.62 111.44 2qbj n SER 31 Ca 0.04 -1.55 -0.12 0.00 -1.33 0.00 0.00 58.87 55.92 2qbj n SER 31 Cb 0.57 1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 65.40 2qbj n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qbj s PHE 32 N -5.12 -0.68 -0.09 0.66 0.08 -1.04 -4.18 117.98 107.60 2qbj s PHE 32 Ca 0.09 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.69 2qbj s PHE 32 Cb -0.02 0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.74 2qbj s PHE 32 CO 0.04 -0.34 -0.15 0.95 -0.10 0.00 0.00 175.22 175.62 2qbj s THR 33 N 0.79 1.41 -0.09 0.64 -4.23 -0.05 -1.71 115.64 112.40 2qbj s THR 33 Ca -0.04 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 2qbj s THR 33 Cb -0.05 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.51 2qbj s THR 33 CO -0.06 0.42 -0.21 0.00 -0.54 0.00 0.00 174.62 174.23 2qbj s ALA 34 N 0.85 1.91 -0.22 3.99 0.00 -0.71 -0.23 121.76 127.35 2qbj s ALA 34 Ca -0.10 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 2qbj s ALA 34 Cb -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2qbj s ALA 34 CO 0.01 0.23 0.07 -1.17 0.00 0.00 0.00 175.76 174.90 2qbj s LEU 35 N 0.45 3.63 -0.01 0.00 2.96 0.00 -2.56 118.68 123.15 2qbj s LEU 35 Ca -0.17 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2qbj s LEU 35 Cb -0.17 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2qbj s LEU 35 CO 0.07 0.05 0.03 0.28 -1.32 0.00 0.00 176.35 175.46 2qbj s THR 36 N 1.12 -0.01 0.32 3.68 -1.32 -0.72 -1.22 115.64 117.49 2qbj s THR 36 Ca 0.05 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.64 2qbj s THR 36 Cb -0.14 -0.06 -0.03 0.00 -1.51 0.00 0.00 72.50 70.76 2qbj s THR 36 CO 0.03 0.02 0.31 0.68 -2.21 0.00 0.00 174.62 173.46 2qbj s VAL 37 N 0.25 3.82 -0.08 5.08 -7.23 -1.10 0.14 120.40 121.28 2qbj s VAL 37 Ca -0.02 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2qbj s VAL 37 Cb -0.03 -3.28 0.04 0.00 0.56 0.00 0.00 36.38 33.67 2qbj s VAL 37 CO -0.01 -0.20 0.19 -0.69 -0.31 0.00 0.00 175.10 174.08 2qbj s VAL 38 N -2.25 -0.05 0.27 1.32 1.01 0.75 -2.94 120.40 118.51 2qbj s VAL 38 Ca 0.40 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2qbj s VAL 38 Cb -0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 2qbj s VAL 38 CO 0.27 0.07 0.04 -0.83 0.00 0.00 0.00 175.10 174.65 2qbj s GLY 39 N 1.25 1.79 -0.03 4.51 0.00 -1.07 -0.57 107.32 113.20 2qbj s GLY 39 Ca -0.09 -1.90 0.18 0.00 0.00 0.00 0.00 44.72 42.91 2qbj s GLY 39 CO -0.07 -1.71 0.37 2.09 0.00 0.00 0.00 173.10 173.78 2qbj n ASP 40 N -0.53 1.00 0.00 1.64 5.75 -0.87 -1.18 116.55 122.36 2qbj n ASP 40 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2qbj n ASP 40 Cb 0.65 1.77 0.00 0.00 -1.03 0.00 0.00 41.12 42.52 2qbj n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbj n GLY 41 N 1.52 0.78 0.00 6.12 0.00 0.06 -3.29 105.19 110.38 2qbj n GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qbj n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbj n ASN 42 N 0.00 1.97 0.00 1.61 2.85 -1.25 -4.43 115.26 116.01 2qbj n ASN 42 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qbj n ASN 42 Cb 0.00 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.05 2qbj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbj n GLY 43 N 2.36 0.17 3.71 8.20 0.00 -1.20 -4.75 105.19 113.68 2qbj n GLY 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qbj n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbj s ARG 44 N 0.00 3.07 0.06 1.61 3.00 -1.26 -0.64 118.95 124.79 2qbj s ARG 44 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 55.73 55.32 2qbj s ARG 44 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 32.07 2qbj s ARG 44 CO 0.00 0.70 0.06 0.08 0.00 0.00 0.00 175.30 176.13 2qbj s VAL 45 N -0.86 0.18 0.00 3.52 1.01 -0.33 -2.05 120.40 121.87 2qbj s VAL 45 Ca 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2qbj s VAL 45 Cb -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2qbj s VAL 45 CO 0.02 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2qbj n GLY 46 N 0.16 0.51 3.92 4.51 0.00 0.26 0.77 105.19 115.33 2qbj n GLY 46 Ca -0.15 0.65 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 2qbj n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbj s PHE 47 N 0.00 3.21 -0.12 1.61 -0.71 -1.26 -0.18 117.98 120.53 2qbj s PHE 47 Ca 0.00 0.55 -0.05 0.00 -1.04 0.00 0.00 56.93 56.39 2qbj s PHE 47 Cb 0.00 -2.72 0.06 0.00 -1.21 0.00 0.00 43.02 39.15 2qbj s PHE 47 CO 0.00 -0.81 0.26 0.20 -1.34 0.00 0.00 175.22 173.53 2qbj s GLY 48 N -4.31 -0.12 -0.32 1.99 0.00 0.37 -3.61 107.32 101.32 2qbj s GLY 48 Ca 0.54 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 46.16 2qbj s GLY 48 CO 0.44 1.72 0.06 -0.47 0.00 0.00 0.00 173.10 174.85 2qbj s TYR 49 N 2.02 3.22 -0.01 1.90 5.04 -1.26 -1.75 117.35 126.51 2qbj s TYR 49 Ca -0.02 -1.46 0.03 0.00 -2.44 0.00 0.00 57.07 53.18 2qbj s TYR 49 Cb -0.11 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 39.97 2qbj s TYR 49 CO -0.08 -0.72 -0.11 0.20 -1.34 0.00 0.00 175.55 173.49 2qbj s GLY 50 N 1.38 0.57 -0.05 8.97 0.00 -1.06 -4.86 107.32 112.26 2qbj s GLY 50 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.25 2qbj s GLY 50 CO 0.01 -0.39 -0.17 -1.59 0.00 0.00 0.00 173.10 170.97 2qbj s LYS 51 N -0.23 1.92 0.12 2.90 -2.85 -1.26 -1.74 119.74 118.60 2qbj s LYS 51 Ca 0.04 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.35 2qbj s LYS 51 Cb -0.05 -1.62 -0.03 0.00 -2.06 0.00 0.00 37.83 34.07 2qbj s LYS 51 CO -0.00 0.20 0.12 0.00 0.10 0.00 0.00 175.35 175.77 2qbj s ALA 52 N 0.18 0.42 0.49 0.59 0.00 -0.69 -4.77 121.76 117.98 2qbj s ALA 52 Ca -0.07 -1.15 0.14 0.00 0.00 0.00 0.00 51.96 50.87 2qbj s ALA 52 Cb -0.13 0.72 1.15 0.00 0.00 0.00 0.00 23.12 24.86 2qbj s ALA 52 CO 0.03 -0.52 2.12 -0.09 0.00 0.00 0.00 175.76 177.31 2qbj h ARG 53 N 2.81 0.14 -5.32 0.00 2.43 -1.93 -2.95 114.38 109.55 2qbj h ARG 53 Ca -0.34 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.21 2qbj h ARG 53 Cb 1.20 -0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 2qbj h ARG 53 CO 0.57 0.10 -0.51 -1.21 -1.51 0.00 0.00 179.97 177.40 2qbj s GLU 54 N -5.17 4.03 0.25 0.20 2.02 -1.26 -4.67 118.70 114.10 2qbj s GLU 54 Ca -0.06 -0.25 -0.08 0.00 0.02 0.00 0.00 54.97 54.60 2qbj s GLU 54 Cb 0.17 -3.32 0.42 0.00 0.10 0.00 0.00 34.13 31.50 2qbj s GLU 54 CO 0.69 0.35 1.61 0.28 0.02 0.00 0.00 175.26 178.20 2qbj h VAL 55 N 4.65 0.23 -0.10 2.63 2.07 -1.93 -1.72 116.25 122.08 2qbj h VAL 55 Ca -0.41 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2qbj h VAL 55 Cb 1.16 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2qbj h VAL 55 CO 0.72 0.01 -0.14 1.55 0.02 0.00 0.00 177.57 179.72 2qbj h PRO 56 N 0.04 0.27 -0.66 1.57 0.13 -1.94 -3.29 132.00 128.11 2qbj h PRO 56 Ca 0.42 -0.16 0.09 0.00 -0.87 0.00 0.00 66.00 65.47 2qbj h PRO 56 Cb 0.71 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.75 2qbj h PRO 56 CO -0.78 0.73 -0.49 0.00 -0.23 0.00 0.00 178.00 177.23 2qbj h ALA 57 N 0.54 -0.43 -0.43 -0.56 0.00 -1.70 -0.73 119.26 115.95 2qbj h ALA 57 Ca 0.01 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qbj h ALA 57 Cb 0.70 1.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.48 2qbj h ALA 57 CO 0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 179.25 178.15 2qbj h ALA 58 N 0.51 0.04 -0.92 0.00 0.00 -1.58 -0.34 119.26 116.97 2qbj h ALA 58 Ca 0.17 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2qbj h ALA 58 Cb 0.55 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2qbj h ALA 58 CO -0.74 -0.61 0.56 0.82 0.00 0.00 0.00 179.25 179.29 2qbj h ILE 59 N -0.16 0.95 0.52 0.00 2.04 -1.28 0.15 117.51 119.73 2qbj h ILE 59 Ca 0.20 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2qbj h ILE 59 Cb 0.48 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2qbj h ILE 59 CO -0.53 0.17 -0.25 -0.61 0.00 0.00 0.00 178.15 176.93 2qbj h GLN 60 N 0.94 -0.67 0.00 2.37 5.75 0.26 -2.05 115.11 121.70 2qbj h GLN 60 Ca 0.44 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.96 2qbj h GLN 60 Cb 0.37 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 2qbj h GLN 60 CO -0.24 -0.39 -0.13 1.57 -2.65 0.00 0.00 178.83 176.99 2qbj h LYS 61 N -0.84 0.00 -0.48 1.69 2.10 -1.01 -2.30 116.57 115.72 2qbj h LYS 61 Ca -0.07 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.49 2qbj h LYS 61 Cb 0.59 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2qbj h LYS 61 CO 0.12 0.13 -0.03 0.00 -2.00 0.00 0.00 179.45 177.67 2qbj h ALA 62 N 1.87 0.65 -0.53 0.07 0.00 -0.80 -2.81 119.26 117.71 2qbj h ALA 62 Ca -0.00 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.70 2qbj h ALA 62 Cb 0.25 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2qbj h ALA 62 CO 0.02 0.48 0.11 0.52 0.00 0.00 0.00 179.25 180.39 2qbj h MET 63 N 0.73 0.25 -0.54 0.00 2.86 -0.78 0.92 114.93 118.37 2qbj h MET 63 Ca 0.13 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 2qbj h MET 63 Cb 0.55 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 2qbj h MET 63 CO 0.03 0.16 0.16 1.49 1.06 0.00 0.00 176.91 179.81 2qbj h GLU 64 N 0.25 0.31 -0.13 1.72 4.57 -1.46 -0.75 114.58 119.09 2qbj h GLU 64 Ca 0.27 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 2qbj h GLU 64 Cb 0.37 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2qbj h GLU 64 CO -0.34 0.20 -0.02 0.87 -1.18 0.00 0.00 179.01 178.54 2qbj h LYS 65 N 0.31 0.02 -0.58 1.92 1.79 -0.78 -2.44 116.57 116.82 2qbj h LYS 65 Ca 0.27 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.82 2qbj h LYS 65 Cb 0.34 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.92 2qbj h LYS 65 CO -0.30 0.01 0.23 0.00 -1.08 0.00 0.00 179.45 178.31 2qbj h ALA 66 N 1.12 0.75 -0.67 3.86 0.00 0.07 0.62 119.26 125.00 2qbj h ALA 66 Ca 0.06 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2qbj h ALA 66 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qbj h ALA 66 CO -0.12 -0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.40 2qbj h ARG 67 N 0.42 0.61 -7.20 0.00 3.08 -0.82 -3.40 114.38 107.07 2qbj h ARG 67 Ca 0.29 -0.04 -0.50 0.00 0.07 0.00 0.00 59.98 59.80 2qbj h ARG 67 Cb 0.32 -0.14 0.05 0.00 0.08 0.00 0.00 29.97 30.29 2qbj h ARG 67 CO -0.27 0.40 0.28 1.03 -1.07 0.00 0.00 179.97 180.34 2qbj s ARG 68 N -5.57 3.41 -1.16 0.04 1.81 0.21 -4.37 118.95 113.31 2qbj s ARG 68 Ca -0.09 0.44 -0.24 0.00 -1.72 0.00 0.00 55.73 54.12 2qbj s ARG 68 Cb 0.19 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.50 2qbj s ARG 68 CO 0.76 -0.52 0.76 -1.71 -0.68 0.00 0.00 175.30 173.91 2qbj n ASN 69 N -2.59 -4.90 -1.79 0.23 5.15 -1.26 -4.82 115.26 105.27 2qbj n ASN 69 Ca 0.04 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 2qbj n ASN 69 Cb 0.55 -2.97 0.00 0.00 -0.53 0.00 0.00 39.78 36.84 2qbj n ASN 69 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2qbj n MET 70 N -4.40 1.31 -3.62 1.20 2.81 -1.26 -4.68 117.12 108.48 2qbj n MET 70 Ca -0.10 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.64 2qbj n MET 70 Cb 0.59 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.03 2qbj n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qbj s ILE 71 N 0.49 0.03 -0.19 2.02 2.07 0.23 -4.91 121.20 120.94 2qbj s ILE 71 Ca 0.00 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 58.99 2qbj s ILE 71 Cb 0.00 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.72 2qbj s ILE 71 CO 0.00 -0.14 -0.14 0.20 -1.91 0.00 0.00 174.94 172.95 2qbj s ASN 72 N -1.51 3.62 0.11 4.50 -0.87 -1.26 -1.19 114.94 118.34 2qbj s ASN 72 Ca -0.10 -0.53 0.06 0.00 -1.57 0.00 0.00 52.86 50.72 2qbj s ASN 72 Cb -0.02 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.59 2qbj s ASN 72 CO 0.04 0.01 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.88 2qbj s VAL 73 N 1.24 3.89 -1.37 1.60 1.01 0.18 -4.95 120.40 122.00 2qbj s VAL 73 Ca 0.03 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2qbj s VAL 73 Cb -0.14 -2.87 0.10 0.00 0.00 0.00 0.00 36.38 33.47 2qbj s VAL 73 CO -0.07 0.08 2.14 0.00 0.00 0.00 0.00 175.10 177.25 2qbj n ALA 74 N 0.47 5.79 -2.19 5.51 0.00 -1.26 -4.75 120.51 124.08 2qbj n ALA 74 Ca -0.11 -4.09 -0.31 0.00 0.00 0.00 0.00 53.44 48.94 2qbj n ALA 74 Cb 0.52 -3.17 -0.05 0.00 0.00 0.00 0.00 19.45 16.76 2qbj n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbj s LEU 75 N 0.39 3.25 -0.23 0.00 1.43 -1.26 -4.19 118.68 118.07 2qbj s LEU 75 Ca 0.46 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 2qbj s LEU 75 Cb 0.13 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.71 2qbj s LEU 75 CO -0.04 -2.47 2.20 -3.20 0.23 0.00 0.00 176.35 173.07 2qbj n ASN 76 N 12.71 3.06 0.00 2.29 5.15 -1.19 -4.36 115.26 132.92 2qbj n ASN 76 Ca 0.41 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 2qbj n ASN 76 Cb 0.47 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 2qbj n ASN 76 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2qbj n ASN 77 N 11.10 0.00 -0.18 1.20 2.85 -1.26 -2.13 115.26 126.84 2qbj n ASN 77 Ca 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 2qbj n ASN 77 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2qbj n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbj n GLY 78 N 0.00 -1.70 0.00 8.20 0.00 -1.26 -5.02 105.19 105.41 2qbj n GLY 78 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbj n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbj n THR 79 N -0.00 0.00 -3.20 2.61 5.66 -0.90 -0.61 114.28 117.83 2qbj n THR 79 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 2qbj n THR 79 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2qbj n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qbj s LEU 80 N 0.00 3.81 0.29 1.09 1.43 -1.26 -3.16 118.68 120.88 2qbj s LEU 80 Ca 0.00 0.22 0.14 0.00 -1.03 0.00 0.00 54.13 53.46 2qbj s LEU 80 Cb 0.00 -3.11 0.34 0.00 0.03 0.00 0.00 46.19 43.45 2qbj s LEU 80 CO 0.00 -0.54 1.58 -0.61 0.23 0.00 0.00 176.35 177.01 2qbj h GLN 81 N 0.60 0.00 -1.33 1.70 5.75 -1.89 -3.42 115.11 116.51 2qbj h GLN 81 Ca -0.47 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.33 2qbj h GLN 81 Cb 1.25 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.62 2qbj h GLN 81 CO 0.57 0.57 0.87 -3.38 -2.65 0.00 0.00 178.83 174.82 2qbj s HIS 82 N -3.35 -0.07 -0.14 3.99 -3.43 -1.26 -5.02 115.29 106.01 2qbj s HIS 82 Ca 0.00 0.03 -0.29 0.00 -0.80 0.00 0.00 55.06 54.00 2qbj s HIS 82 Cb 0.11 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.72 2qbj s HIS 82 CO 0.74 -0.16 1.91 -1.25 -2.00 0.00 0.00 174.74 173.98 2qbj s PRO 83 N -2.30 3.71 0.41 -0.38 0.04 -1.26 -4.65 135.00 130.57 2qbj s PRO 83 Ca 0.11 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.30 2qbj s PRO 83 Cb 0.01 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2qbj s PRO 83 CO -0.04 -1.42 0.27 0.14 0.04 0.00 0.00 177.00 175.98 2qbj s VAL 84 N 5.88 2.51 -0.34 -0.36 -7.23 -0.89 -4.92 120.40 115.05 2qbj s VAL 84 Ca 0.85 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2qbj s VAL 84 Cb -0.33 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 33.73 2qbj s VAL 84 CO 0.35 -0.01 0.17 -0.75 -0.31 0.00 0.00 175.10 174.55 2qbj s LYS 85 N -4.00 0.53 0.40 4.82 2.20 -1.26 0.02 119.74 122.44 2qbj s LYS 85 Ca 0.44 -1.11 -0.05 0.00 -0.36 0.00 0.00 55.97 54.88 2qbj s LYS 85 Cb 0.00 -1.46 -0.05 0.00 -1.51 0.00 0.00 37.83 34.82 2qbj s LYS 85 CO 0.25 -1.12 0.69 0.20 -0.36 0.00 0.00 175.35 175.01 2qbj s GLY 86 N 1.39 1.65 0.09 5.54 0.00 -0.92 -4.88 107.32 110.19 2qbj s GLY 86 Ca 0.14 -0.52 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 2qbj s GLY 86 CO -0.15 -0.38 0.66 0.54 0.00 0.00 0.00 173.10 173.77 2qbj s VAL 87 N -2.44 0.00 -0.29 1.40 0.11 -1.25 0.11 120.40 118.03 2qbj s VAL 87 Ca 0.46 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.30 2qbj s VAL 87 Cb -0.10 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.92 2qbj s VAL 87 CO 0.37 0.00 1.20 -2.28 -3.33 0.00 0.00 175.10 171.06 2qbj s HIS 88 N -3.03 -0.28 0.00 1.54 2.46 -0.52 -4.73 115.29 110.74 2qbj s HIS 88 Ca -0.01 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.13 2qbj s HIS 88 Cb -0.01 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 2qbj s HIS 88 CO -0.07 -0.14 0.00 2.41 -2.47 0.00 0.00 174.74 174.48 2qbj n THR 89 N 2.53 0.00 -0.05 0.89 -1.04 -1.26 -1.35 114.28 114.01 2qbj n THR 89 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2qbj n THR 89 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2qbj n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbj n GLY 90 N 0.00 1.59 3.53 3.41 0.00 -1.26 -4.99 105.19 107.47 2qbj n GLY 90 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qbj n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbj s SER 91 N -0.69 6.13 -0.26 1.61 0.15 -0.46 -0.22 113.70 119.97 2qbj s SER 91 Ca 0.00 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.27 2qbj s SER 91 Cb 0.00 -2.17 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 2qbj s SER 91 CO 0.00 -0.31 -0.01 -0.13 1.20 0.00 0.00 173.24 173.99 2qbj s ARG 92 N 1.90 3.06 0.20 5.44 0.52 -0.68 -1.43 118.95 127.97 2qbj s ARG 92 Ca 0.09 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 2qbj s ARG 92 Cb -0.17 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2qbj s ARG 92 CO 0.11 -0.36 0.14 0.08 0.02 0.00 0.00 175.30 175.30 2qbj s VAL 93 N 1.42 4.38 -0.32 3.52 1.01 0.30 -0.99 120.40 129.72 2qbj s VAL 93 Ca 0.02 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 2qbj s VAL 93 Cb -0.16 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 33.04 2qbj s VAL 93 CO -0.02 -0.21 0.12 0.12 0.00 0.00 0.00 175.10 175.11 2qbj s PHE 94 N -1.91 1.42 0.47 5.22 2.19 -1.21 -2.17 117.98 121.98 2qbj s PHE 94 Ca 0.31 -1.63 -0.09 0.00 0.33 0.00 0.00 56.93 55.85 2qbj s PHE 94 Cb -0.09 -1.53 -0.05 0.00 -1.31 0.00 0.00 43.02 40.03 2qbj s PHE 94 CO 0.23 -0.86 0.83 1.41 1.83 0.00 0.00 175.22 178.67 2qbj s MET 95 N 1.58 3.69 -0.29 10.12 1.75 0.10 -2.19 119.30 134.06 2qbj s MET 95 Ca 0.11 0.46 -0.18 0.00 -1.25 0.00 0.00 55.69 54.83 2qbj s MET 95 Cb -0.18 -2.32 0.14 0.00 2.84 0.00 0.00 34.83 35.31 2qbj s MET 95 CO -0.24 -0.19 0.98 -1.14 -0.65 0.00 0.00 175.02 173.78 2qbj s GLN 96 N -4.35 0.41 0.14 4.11 0.74 -1.26 -2.10 119.66 117.35 2qbj s GLN 96 Ca 0.51 0.66 -0.31 0.00 0.05 0.00 0.00 55.36 56.27 2qbj s GLN 96 Cb -0.10 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.03 2qbj s GLN 96 CO 0.39 -0.08 1.50 -1.25 -0.55 0.00 0.00 175.29 175.30 2qbj s PRO 97 N 1.11 4.25 0.00 1.67 0.04 -1.26 -2.02 135.00 138.80 2qbj s PRO 97 Ca -0.06 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2qbj s PRO 97 Cb -0.04 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2qbj s PRO 97 CO -0.13 -0.55 0.00 0.00 0.04 0.00 0.00 177.00 176.36 2qbj n ALA 98 N 4.02 0.00 -2.14 8.56 0.00 -0.69 -4.81 120.51 125.46 2qbj n ALA 98 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 2qbj n ALA 98 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 2qbj n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qbj s SER 99 N -1.00 6.15 0.00 0.00 0.15 -1.26 -4.87 113.70 112.87 2qbj s SER 99 Ca 0.00 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2qbj s SER 99 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2qbj s SER 99 CO 0.00 -0.73 0.37 -0.62 1.20 0.00 0.00 173.24 173.46 2qbj n GLU 100 N -2.45 0.41 0.00 5.44 1.02 -1.26 -2.30 120.64 121.50 2qbj n GLU 100 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2qbj n GLU 100 Cb 0.55 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 2qbj n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbj n GLY 101 N 0.69 0.00 0.30 0.62 0.00 -1.26 -4.93 105.19 100.61 2qbj n GLY 101 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2qbj n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbj h THR 102 N 0.00 0.73 0.00 2.61 2.02 -1.83 -3.48 112.91 112.96 2qbj h THR 102 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2qbj h THR 102 Cb 0.00 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2qbj h THR 102 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 2qbj n GLY 103 N -1.32 -1.80 3.84 2.16 0.00 -1.25 -4.93 105.19 101.89 2qbj n GLY 103 Ca 0.16 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2qbj n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbj s ILE 104 N 0.00 5.23 -0.35 -0.61 2.07 -0.94 -1.46 121.20 125.15 2qbj s ILE 104 Ca 0.00 0.58 0.01 0.00 -1.41 0.00 0.00 60.65 59.83 2qbj s ILE 104 Cb 0.00 -3.59 0.14 0.00 0.13 0.00 0.00 42.46 39.14 2qbj s ILE 104 CO 0.00 0.58 0.28 -0.63 -1.91 0.00 0.00 174.94 173.26 2qbj s ILE 105 N -0.95 -0.13 0.15 2.00 1.01 -0.52 -4.95 121.20 117.81 2qbj s ILE 105 Ca 0.20 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 2qbj s ILE 105 Cb -0.15 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.42 2qbj s ILE 105 CO 0.09 -0.75 0.32 0.00 0.00 0.00 0.00 174.94 174.61 2qbj s ALA 106 N 1.46 -0.37 0.00 9.38 0.00 -1.26 -2.52 121.76 128.45 2qbj s ALA 106 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2qbj s ALA 106 Cb -0.18 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2qbj s ALA 106 CO -0.08 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2qbj n GLY 107 N -0.20 -0.50 0.00 0.00 0.00 -1.26 -4.61 105.19 98.61 2qbj n GLY 107 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2qbj n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbj n GLY 108 N 3.42 -2.72 0.40 -0.02 0.00 -1.26 -3.76 105.19 101.25 2qbj n GLY 108 Ca 0.00 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.09 2qbj n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj h ALA 109 N -2.02 2.11 -0.87 4.61 0.00 -1.93 -2.11 119.26 119.05 2qbj h ALA 109 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2qbj h ALA 109 Cb 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.67 2qbj h ALA 109 CO 0.00 -0.81 0.00 0.52 0.00 0.00 0.00 179.25 178.96 2qbj h MET 110 N 0.00 0.07 0.22 0.00 2.07 -1.92 -1.94 114.93 113.42 2qbj h MET 110 Ca 0.20 -0.00 -0.35 0.00 -2.07 0.00 0.00 59.70 57.48 2qbj h MET 110 Cb 1.38 -0.01 0.02 0.00 -1.87 0.00 0.00 31.60 31.12 2qbj h MET 110 CO -0.00 0.04 -1.64 0.07 1.07 0.00 0.00 176.91 176.45 2qbj h ARG 111 N 0.07 0.46 -0.96 1.72 0.11 -1.47 -3.34 114.38 110.97 2qbj h ARG 111 Ca 0.49 -0.78 0.24 0.00 0.10 0.00 0.00 59.98 60.03 2qbj h ARG 111 Cb 0.92 0.29 -0.18 0.00 1.11 0.00 0.00 29.97 32.11 2qbj h ARG 111 CO -0.79 1.37 -0.04 0.00 0.10 0.00 0.00 179.97 180.61 2qbj h ALA 112 N 0.14 1.00 -0.14 0.08 0.00 -1.43 0.35 119.26 119.26 2qbj h ALA 112 Ca -0.31 0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2qbj h ALA 112 Cb 2.13 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 20.54 2qbj h ALA 112 CO 0.22 -0.51 -0.66 -0.39 0.00 0.00 0.00 179.25 177.91 2qbj h VAL 113 N 0.02 1.34 -0.34 0.00 -1.51 -1.68 -3.21 116.25 110.86 2qbj h VAL 113 Ca 0.55 -1.96 -0.12 0.00 -1.23 0.00 0.00 66.70 63.94 2qbj h VAL 113 Cb 1.05 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 2qbj h VAL 113 CO -0.92 0.60 -0.27 -0.07 -1.23 0.00 0.00 177.57 175.69 2qbj h LEU 114 N 0.39 0.72 -0.23 4.19 3.38 -0.60 -0.02 115.31 123.13 2qbj h LEU 114 Ca -0.02 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qbj h LEU 114 Cb 1.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2qbj h LEU 114 CO 0.12 0.96 0.04 -0.08 0.09 0.00 0.00 178.44 179.57 2qbj h GLU 115 N 0.61 0.12 0.00 1.13 4.81 -0.65 -1.50 114.58 119.10 2qbj h GLU 115 Ca 0.08 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 2qbj h GLU 115 Cb 0.77 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2qbj h GLU 115 CO 0.06 0.08 -1.07 -0.39 -0.73 0.00 0.00 179.01 176.96 2qbj h VAL 116 N 0.13 1.46 0.00 0.32 -1.51 -1.57 -3.26 116.25 111.82 2qbj h VAL 116 Ca 0.11 -3.15 -0.00 0.00 -1.23 0.00 0.00 66.70 62.43 2qbj h VAL 116 Cb 0.11 2.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2qbj h VAL 116 CO -0.15 0.83 -0.01 0.00 -1.23 0.00 0.00 177.57 177.01 2qbj h ALA 117 N 1.06 1.13 0.00 5.19 0.00 -0.82 0.29 119.26 126.12 2qbj h ALA 117 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbj h ALA 117 Cb 1.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2qbj h ALA 117 CO 0.11 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2qbj n GLY 118 N -0.98 0.61 3.75 0.00 0.00 -1.06 -3.24 105.19 104.28 2qbj n GLY 118 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2qbj n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbj s VAL 119 N -2.00 3.12 0.00 1.61 1.01 -0.59 -4.85 120.40 118.71 2qbj s VAL 119 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2qbj s VAL 119 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2qbj s VAL 119 CO 0.00 0.20 0.00 1.41 0.00 0.00 0.00 175.10 176.71 2qbj n HIS 120 N 1.71 0.00 -3.57 5.22 -0.00 0.22 -4.34 115.22 114.46 2qbj n HIS 120 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.46 2qbj n HIS 120 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.30 2qbj n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qbj s ASN 121 N -1.19 3.09 -0.05 0.41 0.01 -1.02 -2.21 114.94 113.98 2qbj s ASN 121 Ca 0.00 -2.59 -0.08 0.00 -0.71 0.00 0.00 52.86 49.48 2qbj s ASN 121 Cb 0.00 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.95 2qbj s ASN 121 CO 0.00 -0.26 0.19 0.68 -1.51 0.00 0.00 177.10 176.21 2qbj s VAL 122 N 0.49 0.03 -0.71 1.60 -7.23 -0.53 -1.71 120.40 112.34 2qbj s VAL 122 Ca 0.21 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2qbj s VAL 122 Cb -0.18 -0.36 0.22 0.00 0.56 0.00 0.00 36.38 36.61 2qbj s VAL 122 CO -0.04 -0.14 0.69 0.00 -0.31 0.00 0.00 175.10 175.30 2qbj n LEU 123 N 2.35 3.65 -4.85 1.32 -0.00 -0.85 -1.44 117.00 117.17 2qbj n LEU 123 Ca -0.17 -5.32 -0.37 0.00 -0.00 0.00 0.00 56.01 50.16 2qbj n LEU 123 Cb 0.57 -0.77 -0.06 0.00 -0.00 0.00 0.00 43.42 43.17 2qbj n LEU 123 CO 0.20 1.88 0.05 0.00 -0.00 0.00 0.00 177.39 179.52 2qbj s ALA 124 N -2.01 3.74 -0.27 1.47 0.00 -1.05 -4.38 121.76 119.26 2qbj s ALA 124 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2qbj s ALA 124 Cb 0.05 -2.27 0.09 0.00 0.00 0.00 0.00 23.12 20.98 2qbj s ALA 124 CO -0.08 0.54 0.07 0.21 0.00 0.00 0.00 175.76 176.50 2qbj s LYS 125 N -1.35 0.77 0.11 0.00 2.47 -0.93 -4.31 119.74 116.51 2qbj s LYS 125 Ca 0.25 -0.88 -0.10 0.00 -1.56 0.00 0.00 55.97 53.68 2qbj s LYS 125 Cb -0.15 -2.06 -0.06 0.00 -1.46 0.00 0.00 37.83 34.10 2qbj s LYS 125 CO 0.13 -0.86 0.45 0.00 0.16 0.00 0.00 175.35 175.23 2qbj s ALA 126 N 1.67 3.68 0.09 3.13 0.00 -1.26 -3.31 121.76 125.76 2qbj s ALA 126 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2qbj s ALA 126 Cb -0.17 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2qbj s ALA 126 CO -0.19 0.54 0.11 2.48 0.00 0.00 0.00 175.76 178.70 2qbj n TYR 127 N 0.71 -0.51 0.00 0.00 -0.00 -0.16 -4.98 117.16 112.22 2qbj n TYR 127 Ca -0.06 -0.66 0.00 0.00 -0.00 0.00 0.00 57.90 57.18 2qbj n TYR 127 Cb 0.52 0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 2qbj n TYR 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qbj n GLY 128 N -0.16 1.61 3.88 -7.48 0.00 -1.26 -1.68 105.19 100.10 2qbj n GLY 128 Ca 0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2qbj n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbj s SER 129 N -4.00 6.49 0.00 1.61 0.15 0.69 -4.96 113.70 113.69 2qbj s SER 129 Ca 0.00 0.56 0.09 0.00 0.70 0.00 0.00 55.95 57.30 2qbj s SER 129 Cb 0.00 -2.10 0.19 0.00 -1.71 0.00 0.00 66.02 62.41 2qbj s SER 129 CO 0.00 0.32 1.07 0.35 1.20 0.00 0.00 173.24 176.18 2qbj n THR 130 N 1.50 0.68 -1.69 6.45 -2.24 -1.26 -4.45 114.28 113.27 2qbj n THR 130 Ca -0.15 -0.84 -0.43 0.00 -2.27 0.00 0.00 64.05 60.37 2qbj n THR 130 Cb 0.53 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2qbj n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qbj n ASN 131 N 0.40 4.01 0.13 3.42 5.15 -1.26 -4.84 115.26 122.26 2qbj n ASN 131 Ca 0.08 0.98 -0.13 0.00 -0.60 0.00 0.00 54.58 54.91 2qbj n ASN 131 Cb 0.34 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.00 2qbj n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qbj h PRO 132 N 8.67 -0.48 -1.60 1.20 0.13 -1.98 1.00 132.00 138.92 2qbj h PRO 132 Ca -0.47 0.03 0.47 0.00 -0.87 0.00 0.00 66.00 65.16 2qbj h PRO 132 Cb 1.23 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2qbj h PRO 132 CO 0.95 -0.32 1.14 0.82 -0.23 0.00 0.00 178.00 180.36 2qbj h ILE 133 N -0.50 0.18 0.00 -3.56 2.04 -1.99 -1.98 117.51 111.70 2qbj h ILE 133 Ca 0.02 -0.01 -0.40 0.00 1.00 0.00 0.00 64.86 65.47 2qbj h ILE 133 Cb 0.51 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 2qbj h ILE 133 CO -0.12 0.00 -2.44 0.59 0.00 0.00 0.00 178.15 176.17 2qbj n ASN 134 N -4.11 2.00 -0.11 1.72 3.02 -0.92 -4.27 115.26 112.58 2qbj n ASN 134 Ca 0.36 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.85 2qbj n ASN 134 Cb 1.65 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 40.26 2qbj n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qbj h VAL 135 N -0.33 0.16 -0.51 2.41 2.07 -0.09 0.47 116.25 120.42 2qbj h VAL 135 Ca -0.60 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.02 2qbj h VAL 135 Cb 1.77 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 2qbj h VAL 135 CO -0.20 0.00 -0.14 1.62 0.02 0.00 0.00 177.57 178.87 2qbj h VAL 136 N -0.32 0.47 -0.18 2.57 3.04 -1.68 0.45 116.25 120.60 2qbj h VAL 136 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2qbj h VAL 136 Cb 0.57 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2qbj h VAL 136 CO -0.54 0.00 0.12 -0.09 -1.01 0.00 0.00 177.57 176.05 2qbj h ARG 137 N -0.02 0.24 -0.90 4.17 2.43 -1.48 0.89 114.38 119.72 2qbj h ARG 137 Ca 0.24 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2qbj h ARG 137 Cb 0.39 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 2qbj h ARG 137 CO -0.53 0.17 0.58 0.00 -1.51 0.00 0.00 179.97 178.68 2qbj h ALA 138 N 1.05 1.20 0.04 2.80 0.00 -0.02 -1.43 119.26 122.90 2qbj h ALA 138 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qbj h ALA 138 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qbj h ALA 138 CO -0.01 0.41 -0.07 1.15 0.00 0.00 0.00 179.25 180.73 2qbj h THR 139 N 1.11 0.82 0.09 0.00 2.02 0.61 -2.26 112.91 115.30 2qbj h THR 139 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2qbj h THR 139 Cb 0.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2qbj h THR 139 CO -0.13 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 175.94 2qbj h ILE 140 N -0.14 0.00 -1.38 3.11 2.04 -0.10 -1.31 117.51 119.73 2qbj h ILE 140 Ca 0.02 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.31 2qbj h ILE 140 Cb 0.16 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.13 2qbj h ILE 140 CO -0.05 0.00 0.91 -0.78 0.00 0.00 0.00 178.15 178.24 2qbj h ASP 141 N -0.34 0.21 0.39 1.72 1.82 -1.26 -0.43 116.42 118.53 2qbj h ASP 141 Ca -0.01 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 2qbj h ASP 141 Cb 0.33 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2qbj h ASP 141 CO -0.10 -0.13 -0.20 1.23 -1.61 0.00 0.00 179.24 178.43 2qbj h GLY 142 N 0.09 -0.63 -0.21 -0.78 0.00 -0.62 -1.70 103.07 99.21 2qbj h GLY 142 Ca 0.80 0.24 0.25 0.00 0.00 0.00 0.00 47.33 48.62 2qbj h GLY 142 CO -0.33 -0.22 0.52 1.41 0.00 0.00 0.00 176.54 177.92 2qbj h LEU 143 N -0.54 0.54 -2.08 3.11 3.38 -0.77 0.47 115.31 119.43 2qbj h LEU 143 Ca -0.05 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qbj h LEU 143 Cb 0.42 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qbj h LEU 143 CO 0.08 0.04 -0.08 -0.08 0.09 0.00 0.00 178.44 178.49 2qbj h GLU 144 N 0.49 0.00 0.04 1.13 4.81 -1.10 -3.01 114.58 116.94 2qbj h GLU 144 Ca 0.63 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.61 2qbj h GLU 144 Cb 1.23 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.63 2qbj h GLU 144 CO -0.51 0.08 -1.00 -0.97 -0.73 0.00 0.00 179.01 175.88 2qbj h ASN 145 N 0.00 0.80 -2.79 1.04 -1.24 0.91 -3.46 115.58 110.84 2qbj h ASN 145 Ca -0.00 -0.78 -0.59 0.00 0.71 0.00 0.00 56.30 55.64 2qbj h ASN 145 Cb 0.26 -0.25 0.10 0.00 0.73 0.00 0.00 38.32 39.16 2qbj h ASN 145 CO 0.01 1.48 0.43 1.15 -1.29 0.00 0.00 177.43 179.22 2qbj n MET 146 N -3.93 1.83 -4.55 6.67 0.00 -1.14 -4.99 117.12 111.01 2qbj n MET 146 Ca -0.12 0.65 -0.31 0.00 0.00 0.00 0.00 57.70 57.92 2qbj n MET 146 Cb 0.87 -2.19 -0.12 0.00 0.00 0.00 0.00 33.22 31.77 2qbj n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qbj s ASN 147 N -0.14 4.10 0.65 3.17 2.20 -1.26 -4.73 114.94 118.92 2qbj s ASN 147 Ca 0.62 -0.34 -0.12 0.00 -0.94 0.00 0.00 52.86 52.08 2qbj s ASN 147 Cb -0.65 -0.77 -0.02 0.00 -2.00 0.00 0.00 41.25 37.81 2qbj s ASN 147 CO 0.57 0.25 1.04 -0.94 -2.94 0.00 0.00 177.10 175.08 2qbj s SER 148 N -1.52 5.82 0.13 3.54 1.04 -1.26 -4.85 113.70 116.59 2qbj s SER 148 Ca 0.16 1.56 -0.19 0.00 0.48 0.00 0.00 55.95 57.96 2qbj s SER 148 Cb -0.11 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2qbj s SER 148 CO 0.07 -1.15 1.78 1.55 0.98 0.00 0.00 173.24 176.47 2qbj h PRO 149 N -0.36 0.30 -0.42 4.02 0.13 -1.97 -0.26 132.00 133.44 2qbj h PRO 149 Ca -0.44 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 2qbj h PRO 149 Cb 1.20 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2qbj h PRO 149 CO 0.59 0.20 0.31 1.05 -0.23 0.00 0.00 178.00 179.91 2qbj h GLU 150 N 0.31 0.00 -0.01 0.86 9.09 -1.97 0.29 114.58 123.14 2qbj h GLU 150 Ca 0.08 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.46 2qbj h GLU 150 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2qbj h GLU 150 CO -0.02 0.00 -0.11 1.98 0.05 0.00 0.00 179.01 180.91 2qbj h MET 151 N 0.00 0.10 -0.61 1.06 4.05 -1.61 -1.95 114.93 115.97 2qbj h MET 151 Ca 0.20 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2qbj h MET 151 Cb 0.81 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.59 2qbj h MET 151 CO -0.00 0.79 0.40 0.28 0.23 0.00 0.00 176.91 178.61 2qbj h VAL 152 N -0.56 1.07 0.00 -5.77 2.07 0.45 0.38 116.25 113.88 2qbj h VAL 152 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qbj h VAL 152 Cb 0.82 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2qbj h VAL 152 CO 0.02 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.74 2qbj n ALA 153 N -2.46 2.18 -0.01 1.67 0.00 0.85 -3.00 120.51 119.75 2qbj n ALA 153 Ca 0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 2qbj n ALA 153 Cb 0.15 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 2qbj n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbj h ALA 154 N 2.73 0.12 -0.04 0.00 0.00 0.50 -3.37 119.26 119.20 2qbj h ALA 154 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 54.91 53.98 2qbj h ALA 154 Cb 0.54 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2qbj h ALA 154 CO 0.00 0.61 -0.14 0.87 0.00 0.00 0.00 179.25 180.59 2qbj h LYS 155 N -0.51 -0.21 -6.35 0.00 1.57 -1.15 -3.42 116.57 106.50 2qbj h LYS 155 Ca -0.24 0.01 -0.44 0.00 -1.87 0.00 0.00 60.65 58.11 2qbj h LYS 155 Cb 1.57 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2qbj h LYS 155 CO 0.03 -0.14 -0.31 -0.98 -0.57 0.00 0.00 179.45 177.48 2qbj s ARG 156 N -6.14 2.83 1.31 3.15 1.70 -1.16 -4.81 118.95 115.83 2qbj s ARG 156 Ca -0.14 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 2qbj s ARG 156 Cb 0.09 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 2qbj s ARG 156 CO 0.67 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 175.15 2qbj n GLY 157 N -1.71 1.34 3.61 3.88 0.00 -1.26 -4.71 105.19 106.34 2qbj n GLY 157 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2qbj n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60