#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n LYS 13 N 0.00 2.52 -2.77 2.89 5.02 -1.26 -5.08 118.16 119.49 2qbj n LYS 13 Ca 0.00 -0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 2qbj n LYS 13 Cb 0.00 -0.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 2qbj n LYS 13 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qbj n GLN 14 N -0.40 -3.20 -0.00 1.97 1.13 -0.35 -4.95 117.38 111.58 2qbj n GLN 14 Ca 0.00 2.60 0.00 0.00 -1.94 0.00 0.00 57.00 57.66 2qbj n GLN 14 Cb 0.03 -4.73 -0.11 0.00 0.11 0.00 0.00 30.24 25.55 2qbj n GLN 14 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2qbj n VAL 15 N 0.93 0.99 0.00 5.09 0.31 -0.83 -4.96 118.33 119.86 2qbj n VAL 15 Ca -0.05 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2qbj n VAL 15 Cb 0.14 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2qbj n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qbj n SER 16 N -2.74 0.00 -3.67 4.52 7.64 0.63 -4.72 113.62 115.29 2qbj n SER 16 Ca -0.13 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.66 2qbj n SER 16 Cb 0.85 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 2qbj n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2qbj s ASP 17 N 0.00 -0.37 0.00 6.43 -4.77 -1.25 0.15 116.67 116.86 2qbj s ASP 17 Ca 0.00 1.00 0.00 0.00 -3.30 0.00 0.00 52.55 50.25 2qbj s ASP 17 Cb 0.00 1.24 0.00 0.00 -1.09 0.00 0.00 42.92 43.07 2qbj s ASP 17 CO 0.00 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.26 2qbj n GLY 18 N 5.08 5.55 3.25 2.12 0.00 -1.11 -4.27 105.19 115.81 2qbj n GLY 18 Ca -0.13 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 2qbj n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbj s VAL 19 N 0.60 1.49 -0.27 1.61 -7.23 0.26 -1.07 120.40 115.79 2qbj s VAL 19 Ca 0.00 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2qbj s VAL 19 Cb 0.00 -1.44 0.04 0.00 0.56 0.00 0.00 36.38 35.54 2qbj s VAL 19 CO 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 175.10 174.58 2qbj s ALA 20 N -1.42 2.76 0.04 1.32 0.00 -0.99 -1.05 121.76 122.43 2qbj s ALA 20 Ca 0.05 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 2qbj s ALA 20 Cb -0.09 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 2qbj s ALA 20 CO 0.04 -1.02 0.55 -1.01 0.00 0.00 0.00 175.76 174.32 2qbj s HIS 21 N 1.30 3.77 -0.09 0.00 3.76 -0.51 -0.48 115.29 123.03 2qbj s HIS 21 Ca -0.02 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 2qbj s HIS 21 Cb -0.18 -2.49 0.02 0.00 1.11 0.00 0.00 32.58 31.04 2qbj s HIS 21 CO -0.03 0.54 -0.07 0.42 -0.85 0.00 0.00 174.74 174.75 2qbj s ILE 22 N -0.88 0.92 -1.03 0.60 1.01 -0.02 -1.13 121.20 120.67 2qbj s ILE 22 Ca 0.29 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2qbj s ILE 22 Cb -0.19 -0.93 0.26 0.00 0.01 0.00 0.00 42.46 41.61 2qbj s ILE 22 CO 0.18 0.34 0.99 -2.28 0.00 0.00 0.00 174.94 174.16 2qbj s HIS 23 N 1.42 4.13 -1.26 3.97 2.46 -0.50 -2.66 115.29 122.84 2qbj s HIS 23 Ca -0.01 -2.81 -0.19 0.00 0.47 0.00 0.00 55.06 52.52 2qbj s HIS 23 Cb -0.13 -3.62 0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2qbj s HIS 23 CO -0.04 -0.87 1.76 0.00 -2.47 0.00 0.00 174.74 173.11 2qbj s ALA 24 N -1.28 3.02 0.16 1.58 0.00 -0.99 -3.27 121.76 120.97 2qbj s ALA 24 Ca 0.29 -2.74 -0.07 0.00 0.00 0.00 0.00 51.96 49.44 2qbj s ALA 24 Cb -0.09 -4.65 -0.06 0.00 0.00 0.00 0.00 23.12 18.32 2qbj s ALA 24 CO -0.10 -3.66 0.44 -1.54 0.00 0.00 0.00 175.76 170.91 2qbj s SER 25 N 4.68 6.56 0.09 0.00 1.04 0.14 -2.52 113.70 123.69 2qbj s SER 25 Ca 0.56 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2qbj s SER 25 Cb 0.03 -2.15 0.20 0.00 0.10 0.00 0.00 66.02 64.20 2qbj s SER 25 CO 0.08 0.03 0.94 0.49 0.98 0.00 0.00 173.24 175.75 2qbj n PHE 26 N 0.14 0.12 0.00 5.02 3.72 -1.26 -1.74 117.46 123.45 2qbj n PHE 26 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2qbj n PHE 26 Cb 0.52 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2qbj n PHE 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qbj n ASN 27 N -1.51 3.87 -3.72 4.37 3.02 -1.26 -4.86 115.26 115.17 2qbj n ASN 27 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 2qbj n ASN 27 Cb 0.24 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 2qbj n ASN 27 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qbj s ASN 28 N -1.60 -0.13 -0.32 6.41 3.04 -0.71 -4.00 114.94 117.63 2qbj s ASN 28 Ca 0.00 -0.31 -0.01 0.00 0.04 0.00 0.00 52.86 52.58 2qbj s ASN 28 Cb 0.00 0.40 0.12 0.00 -1.54 0.00 0.00 41.25 40.24 2qbj s ASN 28 CO 0.00 -0.73 0.21 0.42 -3.04 0.00 0.00 177.10 173.97 2qbj s THR 29 N -3.25 -0.11 0.00 -5.21 -4.23 -1.25 0.24 115.64 101.83 2qbj s THR 29 Ca -0.00 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2qbj s THR 29 Cb 0.01 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2qbj s THR 29 CO -0.08 -0.74 0.23 0.27 -0.54 0.00 0.00 174.62 173.76 2qbj s ILE 30 N 1.78 5.37 -0.22 2.99 -4.36 -1.20 -2.54 121.20 123.01 2qbj s ILE 30 Ca 0.13 0.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.54 2qbj s ILE 30 Cb -0.17 -3.55 0.03 0.00 1.25 0.00 0.00 42.46 40.02 2qbj s ILE 30 CO -0.22 0.34 -0.14 0.68 0.24 0.00 0.00 174.94 175.85 2qbj s VAL 31 N -1.32 2.29 -0.34 8.37 -7.23 0.23 -1.41 120.40 120.99 2qbj s VAL 31 Ca 0.27 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2qbj s VAL 31 Cb -0.13 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.75 2qbj s VAL 31 CO 0.17 0.30 0.09 -0.89 -0.31 0.00 0.00 175.10 174.46 2qbj s THR 32 N 1.25 3.37 -0.02 5.32 2.01 -0.28 0.19 115.64 127.46 2qbj s THR 32 Ca -0.00 -1.43 -0.23 0.00 0.31 0.00 0.00 61.69 60.33 2qbj s THR 32 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2qbj s THR 32 CO -0.09 -0.26 0.70 -0.63 -0.69 0.00 0.00 174.62 173.65 2qbj s ILE 33 N 1.29 4.94 -0.10 1.82 -1.09 0.28 -1.43 121.20 126.91 2qbj s ILE 33 Ca -0.01 1.45 -0.24 0.00 -2.23 0.00 0.00 60.65 59.62 2qbj s ILE 33 Cb -0.20 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.69 2qbj s ILE 33 CO -0.00 0.31 0.57 0.28 -1.23 0.00 0.00 174.94 174.88 2qbj s THR 34 N 0.37 0.01 0.98 2.92 -1.32 -0.21 -0.53 115.64 117.86 2qbj s THR 34 Ca 0.36 -0.10 -0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2qbj s THR 34 Cb -0.19 -0.86 0.07 0.00 -1.51 0.00 0.00 72.50 70.01 2qbj s THR 34 CO 0.19 -0.06 0.46 -0.90 -2.21 0.00 0.00 174.62 172.11 2qbj n ASP 35 N 1.61 -1.82 0.03 8.08 5.68 -1.23 0.90 116.55 129.80 2qbj n ASP 35 Ca -0.18 0.26 0.01 0.00 -0.50 0.00 0.00 54.79 54.38 2qbj n ASP 35 Cb 0.56 -1.21 0.08 0.00 -1.14 0.00 0.00 41.12 39.42 2qbj n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2qbj n ARG 36 N -2.18 0.02 -0.03 0.11 1.74 -1.26 -0.77 116.66 114.29 2qbj n ARG 36 Ca 0.06 0.41 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 2qbj n ARG 36 Cb 0.55 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 2qbj n ARG 36 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbj h GLN 37 N 0.00 0.81 0.00 5.56 1.08 -1.95 -3.48 115.11 117.13 2qbj h GLN 37 Ca 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 2qbj h GLN 37 Cb 0.27 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2qbj h GLN 37 CO 0.00 1.25 0.00 0.41 -0.95 0.00 0.00 178.83 179.54 2qbj n GLY 38 N 0.68 0.84 3.51 3.46 0.00 0.05 -5.07 105.19 108.67 2qbj n GLY 38 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 2qbj n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbj n ASN 39 N 0.00 2.40 -4.65 1.61 3.02 -1.26 -4.80 115.26 111.58 2qbj n ASN 39 Ca 0.00 0.17 -0.50 0.00 -0.03 0.00 0.00 54.58 54.22 2qbj n ASN 39 Cb 0.00 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 37.73 2qbj n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qbj n ALA 40 N 11.55 0.35 -0.08 5.41 0.00 -1.26 -3.50 120.51 132.98 2qbj n ALA 40 Ca 0.39 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 54.20 2qbj n ALA 40 Cb 0.34 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.36 2qbj n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbj n LEU 41 N 3.92 0.00 0.00 0.00 4.77 0.31 -4.95 117.00 121.05 2qbj n LEU 41 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2qbj n LEU 41 Cb 0.24 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2qbj n LEU 41 CO 0.67 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2qbj n GLY 42 N 1.72 0.80 3.31 -0.72 0.00 -0.34 -4.77 105.19 105.18 2qbj n GLY 42 Ca -0.26 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2qbj n GLY 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qbj s TRP 43 N -2.00 -0.19 0.03 1.61 1.48 -1.26 0.10 118.94 118.72 2qbj s TRP 43 Ca 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 56.10 54.94 2qbj s TRP 43 Cb 0.00 0.24 -0.03 0.00 -1.16 0.00 0.00 33.47 32.52 2qbj s TRP 43 CO 0.00 -0.68 -0.04 0.00 -4.06 0.00 0.00 176.95 172.17 2qbj s ALA 44 N -3.67 0.34 -0.02 2.67 0.00 0.13 -4.80 121.76 116.40 2qbj s ALA 44 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2qbj s ALA 44 Cb 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2qbj s ALA 44 CO -0.11 -0.18 -0.11 -0.08 0.00 0.00 0.00 175.76 175.28 2qbj s THR 45 N -2.03 0.93 0.01 0.00 -1.32 -1.26 0.74 115.64 112.70 2qbj s THR 45 Ca -0.09 -0.47 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 2qbj s THR 45 Cb -0.06 -0.80 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 2qbj s THR 45 CO -0.03 0.27 1.06 0.00 -2.21 0.00 0.00 174.62 173.72 2qbj h ALA 46 N 6.14 -0.56 -0.45 11.08 0.00 -1.78 -0.89 119.26 132.81 2qbj h ALA 46 Ca -0.33 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.70 2qbj h ALA 46 Cb 1.17 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2qbj h ALA 46 CO 0.49 -0.57 0.51 0.78 0.00 0.00 0.00 179.25 180.46 2qbj h GLY 47 N -0.07 0.00 2.00 0.00 0.00 -1.81 0.66 103.07 103.84 2qbj h GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qbj h GLY 47 CO -0.04 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.17 2qbj h GLY 48 N 0.00 0.00 -4.58 4.60 0.00 -1.50 -3.33 103.07 98.26 2qbj h GLY 48 Ca 0.21 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.99 2qbj h GLY 48 CO -0.00 0.00 0.53 1.44 0.00 0.00 0.00 176.54 178.51 2qbj n SER 49 N -2.49 6.70 0.00 0.19 7.64 0.23 -4.96 113.62 120.93 2qbj n SER 49 Ca 0.05 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.59 2qbj n SER 49 Cb 0.44 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2qbj n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbj n GLY 50 N 0.54 1.14 2.52 0.23 0.00 -1.25 -4.99 105.19 103.39 2qbj n GLY 50 Ca 0.49 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2qbj n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qbj n PHE 51 N 0.41 -0.01 -4.40 1.61 1.16 -1.26 -4.93 117.46 110.04 2qbj n PHE 51 Ca 0.00 0.74 -0.31 0.00 -1.87 0.00 0.00 57.45 56.01 2qbj n PHE 51 Cb 0.00 -1.48 -0.04 0.00 -1.61 0.00 0.00 39.48 36.35 2qbj n PHE 51 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2qbj s ARG 52 N -0.42 2.23 0.05 3.97 1.81 -1.26 -4.22 118.95 121.10 2qbj s ARG 52 Ca 0.55 -2.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.29 2qbj s ARG 52 Cb -0.79 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 31.95 2qbj s ARG 52 CO 0.41 -0.51 0.00 0.41 -0.68 0.00 0.00 175.30 174.94 2qbj n GLY 53 N -1.51 2.05 0.37 -3.53 0.00 -1.26 -2.43 105.19 98.88 2qbj n GLY 53 Ca -0.13 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 2qbj n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qbj h SER 54 N 0.00 -1.18 0.29 1.61 4.64 -1.96 -2.54 113.55 114.41 2qbj h SER 54 Ca 0.00 0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2qbj h SER 54 Cb 0.00 0.50 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2qbj h SER 54 CO 0.00 -0.39 -0.23 -0.09 -0.87 0.00 0.00 176.83 175.25 2qbj h ARG 55 N -0.42 0.00 0.00 4.77 1.12 -1.84 -2.63 114.38 115.38 2qbj h ARG 55 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 2qbj h ARG 55 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2qbj h ARG 55 CO -0.41 0.23 0.00 1.57 -3.11 0.00 0.00 179.97 178.25 2qbj h LYS 56 N 0.00 0.00 -1.05 0.20 2.10 -1.28 -3.08 116.57 113.46 2qbj h LYS 56 Ca -0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2qbj h LYS 56 Cb 0.44 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.49 2qbj h LYS 56 CO 0.03 0.00 0.73 0.45 -2.00 0.00 0.00 179.45 178.66 2qbj n SER 57 N -2.35 6.05 -4.67 7.07 2.88 -0.99 -4.60 113.62 117.02 2qbj n SER 57 Ca 0.02 -3.60 -0.23 0.00 -1.33 0.00 0.00 58.87 53.73 2qbj n SER 57 Cb 0.25 -0.92 -0.07 0.00 -0.75 0.00 0.00 64.21 62.72 2qbj n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2qbj s THR 58 N -3.89 3.19 0.17 2.46 -4.23 -1.17 -4.77 115.64 107.40 2qbj s THR 58 Ca 0.57 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2qbj s THR 58 Cb 0.46 -2.87 0.06 0.00 1.34 0.00 0.00 72.50 71.48 2qbj s THR 58 CO 0.03 -0.29 1.81 1.55 -0.54 0.00 0.00 174.62 177.18 2qbj h PRO 59 N 1.78 0.70 -0.54 3.99 0.13 -1.91 -2.68 132.00 133.46 2qbj h PRO 59 Ca -0.44 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2qbj h PRO 59 Cb 1.25 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 2qbj h PRO 59 CO 0.62 0.50 0.17 0.35 -0.23 0.00 0.00 178.00 179.41 2qbj h PHE 60 N 0.70 0.29 -0.84 1.56 -0.00 -1.96 -2.54 116.94 114.14 2qbj h PHE 60 Ca 0.19 0.03 0.15 0.00 -0.00 0.00 0.00 57.97 58.33 2qbj h PHE 60 Cb -0.03 -0.05 -0.15 0.00 -0.00 0.00 0.00 35.95 35.72 2qbj h PHE 60 CO -0.03 0.06 -0.31 0.00 -0.00 0.00 0.00 178.31 178.04 2qbj h ALA 61 N 1.38 0.27 0.00 2.41 0.00 -1.76 0.59 119.26 122.16 2qbj h ALA 61 Ca 0.27 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2qbj h ALA 61 Cb 0.33 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qbj h ALA 61 CO -0.29 -0.55 -0.15 0.00 0.00 0.00 0.00 179.25 178.26 2qbj h ALA 62 N 1.47 1.63 0.51 0.00 0.00 -1.49 -2.63 119.26 118.75 2qbj h ALA 62 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qbj h ALA 62 Cb 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qbj h ALA 62 CO -0.87 0.19 -0.25 0.37 0.00 0.00 0.00 179.25 178.70 2qbj h GLN 63 N 0.00 -0.67 -0.61 0.00 4.15 0.29 -0.77 115.11 117.51 2qbj h GLN 63 Ca -0.00 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2qbj h GLN 63 Cb 0.29 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 2qbj h GLN 63 CO 0.02 -0.38 0.40 -0.24 -1.93 0.00 0.00 178.83 176.71 2qbj h VAL 64 N -0.85 1.15 0.26 2.39 3.04 -1.34 -2.71 116.25 118.19 2qbj h VAL 64 Ca -0.07 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 2qbj h VAL 64 Cb 0.59 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2qbj h VAL 64 CO 0.12 0.15 -0.13 0.00 -1.01 0.00 0.00 177.57 176.70 2qbj h ALA 65 N 1.62 -0.35 -0.31 3.17 0.00 -1.36 -1.88 119.26 120.16 2qbj h ALA 65 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qbj h ALA 65 Cb -0.07 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2qbj h ALA 65 CO -0.05 -0.60 -0.39 0.00 0.00 0.00 0.00 179.25 178.21 2qbj h ALA 66 N 0.12 -0.62 -0.82 0.00 0.00 -0.83 0.28 119.26 117.39 2qbj h ALA 66 Ca -0.04 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2qbj h ALA 66 Cb 0.41 1.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2qbj h ALA 66 CO 0.06 -0.81 0.55 1.05 0.00 0.00 0.00 179.25 180.09 2qbj h GLU 67 N -0.26 0.43 0.00 0.00 4.11 -1.56 0.37 114.58 117.67 2qbj h GLU 67 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 2qbj h GLU 67 Cb 0.40 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qbj h GLU 67 CO -0.43 0.29 -0.13 -0.09 0.07 0.00 0.00 179.01 178.72 2qbj h ARG 68 N 0.45 0.00 -0.01 1.06 2.43 0.35 -2.63 114.38 116.03 2qbj h ARG 68 Ca 0.42 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 2qbj h ARG 68 Cb 0.95 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2qbj h ARG 68 CO -0.15 0.13 -0.39 0.00 -1.51 0.00 0.00 179.97 178.05 2qbj h ALA 70 N 0.29 1.60 0.00 0.00 0.00 -1.21 0.15 119.26 120.09 2qbj h ALA 70 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qbj h ALA 70 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qbj h ALA 70 CO 0.08 0.20 0.00 -3.47 0.00 0.00 0.00 179.25 176.06 2qbj n ASP 71 N -4.55 0.00 0.00 0.00 4.64 -1.02 0.65 116.55 116.26 2qbj n ASP 71 Ca 0.17 0.03 0.00 0.00 -1.38 0.00 0.00 54.79 53.61 2qbj n ASP 71 Cb 0.33 -0.03 0.00 0.00 -1.04 0.00 0.00 41.12 40.37 2qbj n ASP 71 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbj n ALA 72 N -0.98 2.36 0.12 -1.67 0.00 0.46 -4.78 120.51 116.02 2qbj n ALA 72 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qbj n ALA 72 Cb 0.00 0.45 0.03 0.00 0.00 0.00 0.00 19.45 19.93 2qbj n ALA 72 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qbj h VAL 73 N 0.00 0.39 -0.51 0.00 -1.51 -0.62 -3.33 116.25 110.67 2qbj h VAL 73 Ca 0.00 -1.62 -0.00 0.00 -1.23 0.00 0.00 66.70 63.85 2qbj h VAL 73 Cb 0.90 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 2qbj h VAL 73 CO 0.00 0.22 0.30 0.11 -1.23 0.00 0.00 177.57 176.97 2qbj h LYS 74 N 0.00 0.69 0.00 5.19 1.57 -0.03 0.14 116.57 124.12 2qbj h LYS 74 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2qbj h LYS 74 Cb 1.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2qbj h LYS 74 CO 0.03 0.51 0.00 0.93 -0.57 0.00 0.00 179.45 180.36 2qbj h GLU 75 N 0.68 0.00 0.00 3.15 4.39 -1.74 0.11 114.58 121.17 2qbj h GLU 75 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2qbj h GLU 75 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2qbj h GLU 75 CO -0.03 0.00 0.00 0.98 -1.16 0.00 0.00 179.01 178.80 2qbj n TYR 76 N -2.90 0.00 -1.99 4.33 9.36 0.03 -1.66 117.16 124.33 2qbj n TYR 76 Ca -0.03 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.18 2qbj n TYR 76 Cb 0.06 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.78 2qbj n TYR 76 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qbj n GLY 77 N 0.42 0.47 3.77 2.98 0.00 0.38 -1.21 105.19 112.00 2qbj n GLY 77 Ca 0.17 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2qbj n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbj s ILE 78 N -3.02 4.69 0.06 -0.61 -1.09 -1.19 0.23 121.20 120.27 2qbj s ILE 78 Ca 0.01 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 2qbj s ILE 78 Cb -0.00 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2qbj s ILE 78 CO 0.05 0.38 0.00 0.29 -1.23 0.00 0.00 174.94 174.42 2qbj n LYS 79 N 1.28 0.00 -4.43 2.79 4.76 0.39 -4.86 118.16 118.10 2qbj n LYS 79 Ca -0.14 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.09 2qbj n LYS 79 Cb 0.53 -0.37 -0.10 0.00 -1.84 0.00 0.00 35.03 33.24 2qbj n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qbj s ASN 80 N -5.29 2.99 0.14 4.39 6.03 -0.34 -1.72 114.94 121.13 2qbj s ASN 80 Ca 0.00 -1.11 -0.25 0.00 -1.03 0.00 0.00 52.86 50.47 2qbj s ASN 80 Cb 0.00 -0.21 0.07 0.00 -3.03 0.00 0.00 41.25 38.08 2qbj s ASN 80 CO 0.00 -0.20 0.81 -1.48 -2.03 0.00 0.00 177.10 174.20 2qbj s LEU 81 N -3.44 -0.34 0.00 3.54 2.34 -0.99 -2.75 118.68 117.05 2qbj s LEU 81 Ca 0.28 -0.24 0.03 0.00 0.06 0.00 0.00 54.13 54.26 2qbj s LEU 81 Cb 0.01 2.34 0.09 0.00 -0.56 0.00 0.00 46.19 48.07 2qbj s LEU 81 CO 0.12 -0.93 0.66 -0.62 -1.06 0.00 0.00 176.35 174.51 2qbj n GLU 82 N -0.39 0.38 -3.75 1.48 1.02 -0.23 -1.71 120.64 117.44 2qbj n GLU 82 Ca -0.09 -2.13 -0.25 0.00 -0.02 0.00 0.00 57.16 54.67 2qbj n GLU 82 Cb 0.62 -0.34 -0.17 0.00 -0.02 0.00 0.00 31.44 31.53 2qbj n GLU 82 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbj s VAL 83 N -1.93 0.44 -0.38 2.62 1.01 0.10 -2.34 120.40 119.93 2qbj s VAL 83 Ca 0.47 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 2qbj s VAL 83 Cb -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.64 2qbj s VAL 83 CO 0.30 0.03 0.17 -0.04 0.00 0.00 0.00 175.10 175.56 2qbj s MET 84 N 1.92 2.42 -0.13 2.72 -1.94 0.36 -1.08 119.30 123.57 2qbj s MET 84 Ca 0.02 -1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 52.52 2qbj s MET 84 Cb -0.15 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 2qbj s MET 84 CO -0.07 -0.87 -0.07 0.08 -0.01 0.00 0.00 175.02 174.08 2qbj s VAL 85 N 1.32 3.59 -0.05 -6.03 1.01 -0.54 -0.84 120.40 118.86 2qbj s VAL 85 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2qbj s VAL 85 Cb -0.22 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.65 2qbj s VAL 85 CO 0.00 0.52 0.13 -1.59 0.00 0.00 0.00 175.10 174.16 2qbj s LYS 86 N 0.17 0.13 0.00 2.72 -2.85 -1.09 0.93 119.74 119.76 2qbj s LYS 86 Ca -0.04 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 2qbj s LYS 86 Cb -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.63 2qbj s LYS 86 CO 0.04 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.84 2qbj n GLY 87 N 3.33 0.95 0.00 0.59 0.00 -1.26 -2.36 105.19 106.44 2qbj n GLY 87 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2qbj n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qbj n PRO 88 N 1.12 0.00 -1.27 1.61 -0.04 -1.05 -4.54 135.00 130.84 2qbj n PRO 88 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2qbj n PRO 88 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 2qbj n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbj n GLY 89 N 4.95 -2.27 3.51 0.55 0.00 -1.25 -4.30 105.19 106.39 2qbj n GLY 89 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2qbj n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbj s PRO 90 N -3.62 -1.75 0.00 1.61 0.04 -1.26 -3.40 135.00 126.63 2qbj s PRO 90 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2qbj s PRO 90 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 2qbj s PRO 90 CO 0.00 -4.06 0.00 0.41 0.04 0.00 0.00 177.00 173.39 2qbj n GLY 91 N -0.33 0.58 0.31 0.56 0.00 -1.26 -4.74 105.19 100.31 2qbj n GLY 91 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2qbj n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qbj h ARG 92 N 0.77 0.00 0.00 1.61 2.43 -1.78 -2.60 114.38 114.81 2qbj h ARG 92 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2qbj h ARG 92 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2qbj h ARG 92 CO 0.00 0.00 -1.44 0.39 -1.51 0.00 0.00 179.97 177.41 2qbj n GLU 93 N -4.06 0.17 -0.35 0.20 1.02 -1.26 -4.71 120.64 111.65 2qbj n GLU 93 Ca -0.01 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.19 2qbj n GLU 93 Cb 0.20 -0.85 0.03 0.00 -0.02 0.00 0.00 31.44 30.81 2qbj n GLU 93 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2qbj n SER 94 N -3.25 -0.61 -0.19 1.62 2.88 -1.22 -0.73 113.62 112.12 2qbj n SER 94 Ca -0.15 1.60 -0.06 0.00 -1.33 0.00 0.00 58.87 58.93 2qbj n SER 94 Cb 0.62 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2qbj n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbj h THR 95 N 0.00 0.16 0.12 2.46 1.03 -1.68 -2.43 112.91 112.57 2qbj h THR 95 Ca 0.31 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.73 2qbj h THR 95 Cb 0.54 0.16 -0.05 0.00 -1.07 0.00 0.00 68.15 67.74 2qbj h THR 95 CO -0.91 0.00 -0.49 0.40 -0.01 0.00 0.00 175.52 174.51 2qbj h ILE 96 N -0.19 0.06 0.00 0.00 2.04 -1.18 -1.66 117.51 116.57 2qbj h ILE 96 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2qbj h ILE 96 Cb 0.55 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2qbj h ILE 96 CO -0.66 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.03 2qbj n ARG 97 N -5.48 0.00 -0.31 2.37 1.74 -0.95 -0.01 116.66 114.02 2qbj n ARG 97 Ca -0.08 0.85 0.10 0.00 -0.77 0.00 0.00 57.85 57.95 2qbj n ARG 97 Cb 0.40 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.58 2qbj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbj h ALA 98 N -1.30 0.99 0.36 7.54 0.00 -1.47 0.78 119.26 126.17 2qbj h ALA 98 Ca 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qbj h ALA 98 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qbj h ALA 98 CO 0.00 -0.49 -0.34 1.25 0.00 0.00 0.00 179.25 179.67 2qbj h LEU 99 N 0.05 -0.92 -0.90 0.00 5.85 -0.26 0.83 115.31 119.97 2qbj h LEU 99 Ca 0.52 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 2qbj h LEU 99 Cb 1.00 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 2qbj h LEU 99 CO -0.83 -0.49 0.54 -1.13 -0.34 0.00 0.00 178.44 176.19 2qbj h ASN 100 N -0.72 1.08 1.15 1.25 -0.73 0.23 -1.61 115.58 116.23 2qbj h ASN 100 Ca -0.03 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.07 2qbj h ASN 100 Cb 0.65 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2qbj h ASN 100 CO -0.05 0.83 0.00 0.00 -0.37 0.00 0.00 177.43 177.84 2qbj n ALA 101 N -2.38 2.03 1.87 1.57 0.00 0.25 -2.83 120.51 121.01 2qbj n ALA 101 Ca 0.10 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2qbj n ALA 101 Cb 0.06 -1.43 0.55 0.00 0.00 0.00 0.00 19.45 18.63 2qbj n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbj n ALA 102 N -1.77 2.54 -0.27 0.00 0.00 0.29 -4.84 120.51 116.46 2qbj n ALA 102 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qbj n ALA 102 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2qbj n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 103 N 0.70 0.85 2.79 0.00 0.00 -1.13 -5.06 105.19 103.35 2qbj n GLY 103 Ca 0.14 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 2qbj n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbj s PHE 104 N -2.18 0.06 -1.25 1.61 0.08 -1.14 -5.00 117.98 110.16 2qbj s PHE 104 Ca 0.00 0.10 -0.20 0.00 0.12 0.00 0.00 56.93 56.95 2qbj s PHE 104 Cb 0.00 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 2qbj s PHE 104 CO 0.00 -0.08 1.79 0.50 -0.10 0.00 0.00 175.22 177.33 2qbj s ARG 105 N 0.93 3.50 0.36 0.44 6.06 -0.70 -4.76 118.95 124.79 2qbj s ARG 105 Ca -0.08 -1.69 -0.28 0.00 -2.50 0.00 0.00 55.73 51.18 2qbj s ARG 105 Cb -0.11 -5.44 -0.11 0.00 0.06 0.00 0.00 34.95 29.35 2qbj s ARG 105 CO -0.02 -2.79 1.48 1.51 -2.50 0.00 0.00 175.30 172.97 2qbj n ILE 106 N 6.86 1.84 0.00 4.11 3.06 -1.26 -2.34 119.36 131.63 2qbj n ILE 106 Ca 0.47 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2qbj n ILE 106 Cb 0.46 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 38.73 2qbj n ILE 106 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2qbj n THR 107 N 0.69 0.00 -4.38 9.51 -2.24 -0.70 -4.90 114.28 112.27 2qbj n THR 107 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 2qbj n THR 107 Cb 0.38 -0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 2qbj n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qbj s ASN 108 N 0.86 4.88 -0.14 3.42 -0.87 -1.26 -4.99 114.94 116.83 2qbj s ASN 108 Ca 0.00 -0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.18 2qbj s ASN 108 Cb 0.00 -1.77 -0.02 0.00 -0.02 0.00 0.00 41.25 39.44 2qbj s ASN 108 CO 0.00 0.18 -0.09 -0.63 -2.57 0.00 0.00 177.10 173.99 2qbj s ILE 109 N 0.28 3.37 -0.01 0.60 1.01 -1.26 0.02 121.20 125.21 2qbj s ILE 109 Ca -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2qbj s ILE 109 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2qbj s ILE 109 CO 0.03 0.51 0.03 0.42 0.00 0.00 0.00 174.94 175.93 2qbj s THR 110 N 0.41 0.02 -0.54 2.92 -4.23 -0.24 -4.98 115.64 109.00 2qbj s THR 110 Ca -0.08 -0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 2qbj s THR 110 Cb -0.15 -0.11 0.06 0.00 1.34 0.00 0.00 72.50 73.64 2qbj s THR 110 CO 0.04 -0.09 0.71 -0.62 -0.54 0.00 0.00 174.62 174.12 2qbj s ASP 111 N -0.26 6.23 0.00 3.99 2.15 -1.26 -1.46 116.67 126.05 2qbj s ASP 111 Ca -0.03 -0.93 0.16 0.00 0.43 0.00 0.00 52.55 52.18 2qbj s ASP 111 Cb -0.02 -2.32 0.53 0.00 -0.30 0.00 0.00 42.92 40.81 2qbj s ASP 111 CO -0.00 -1.02 1.40 1.33 -0.17 0.00 0.00 175.17 176.71 2qbj n VAL 112 N 5.71 0.36 -1.73 1.11 0.24 0.26 -4.94 118.33 119.33 2qbj n VAL 112 Ca -0.06 -0.43 -0.63 0.00 -2.04 0.00 0.00 64.34 61.19 2qbj n VAL 112 Cb 0.45 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.05 2qbj n VAL 112 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2qbj n THR 113 N 0.47 0.16 -2.07 3.34 -1.04 -1.16 -4.83 114.28 109.14 2qbj n THR 113 Ca 0.14 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 2qbj n THR 113 Cb 0.32 -0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 2qbj n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2qbj s PRO 114 N 3.30 4.27 -0.33 -2.82 0.04 -1.26 -4.91 135.00 133.29 2qbj s PRO 114 Ca 1.02 2.19 -0.02 0.00 0.04 0.00 0.00 61.00 64.23 2qbj s PRO 114 Cb -1.28 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 30.13 2qbj s PRO 114 CO 0.74 -0.52 0.16 0.96 0.04 0.00 0.00 177.00 178.38 2qbj s ILE 115 N 1.24 0.29 0.17 0.56 -5.25 -1.26 -5.01 121.20 111.93 2qbj s ILE 115 Ca 0.67 -1.34 -0.31 0.00 -0.99 0.00 0.00 60.65 58.69 2qbj s ILE 115 Cb -0.39 -1.23 -0.09 0.00 2.95 0.00 0.00 42.46 43.70 2qbj s ILE 115 CO 0.31 -0.82 1.36 -2.16 -1.79 0.00 0.00 174.94 171.83 2qbj s PRO 116 N 1.53 4.35 -1.53 0.37 0.04 -1.26 -4.90 135.00 133.59 2qbj s PRO 116 Ca 0.13 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 2qbj s PRO 116 Cb -0.19 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 2qbj s PRO 116 CO -0.19 -0.35 2.78 0.72 0.04 0.00 0.00 177.00 179.99 2qbj n HIS 117 N 3.18 2.47 -2.50 0.56 8.25 -1.26 -4.57 115.22 121.34 2qbj n HIS 117 Ca 0.09 -2.96 -0.01 0.00 -0.26 0.00 0.00 57.72 54.58 2qbj n HIS 117 Cb 0.42 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.11 2qbj n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qbj n ASN 118 N 4.04 -6.94 0.00 0.41 5.03 -1.26 -5.07 115.26 111.47 2qbj n ASN 118 Ca 0.72 1.12 0.00 0.00 0.87 0.00 0.00 54.58 57.28 2qbj n ASN 118 Cb 0.25 -4.56 0.00 0.00 -1.02 0.00 0.00 39.78 34.44 2qbj n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qbj n GLY 119 N 0.50 1.05 3.77 7.41 0.00 -1.26 -5.10 105.19 111.55 2qbj n GLY 119 Ca 0.01 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2qbj n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj s ARG 121 N -2.29 3.91 0.71 0.00 3.52 -1.26 -5.03 118.95 118.53 2qbj s ARG 121 Ca 0.57 0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 56.74 2qbj s ARG 121 Cb -0.35 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2qbj s ARG 121 CO 0.45 -0.94 1.26 -0.35 -0.81 0.00 0.00 175.30 174.91 2qbj n PRO 122 N 6.83 0.74 -2.33 5.12 -0.04 -1.26 -4.96 135.00 139.10 2qbj n PRO 122 Ca 0.09 0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 63.49 2qbj n PRO 122 Cb 0.48 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 2qbj n PRO 122 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2qbj s PRO 123 N -3.68 4.04 0.00 0.54 0.04 -1.26 -5.00 135.00 129.68 2qbj s PRO 123 Ca 0.79 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2qbj s PRO 123 Cb -0.34 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2qbj s PRO 123 CO 0.44 -0.31 0.46 1.63 0.04 0.00 0.00 177.00 179.26 2qbj n LYS 124 N -0.01 0.00 0.00 4.56 4.76 -1.26 -4.91 118.16 121.30 2qbj n LYS 124 Ca 0.05 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2qbj n LYS 124 Cb 0.47 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 2qbj n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qbj n LYS 125 N -0.57 0.00 -0.61 1.97 5.02 -1.26 -4.90 118.16 117.81 2qbj n LYS 125 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbj n LYS 125 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qbj n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbj n ARG 126 N -0.86 -0.15 -3.12 1.97 5.12 -1.26 -4.95 116.66 113.41 2qbj n ARG 126 Ca 0.00 0.16 -0.21 0.00 -1.93 0.00 0.00 57.85 55.87 2qbj n ARG 126 Cb 0.00 -0.13 -0.05 0.00 -1.16 0.00 0.00 32.46 31.12 2qbj n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbj n ARG 127 N 1.04 0.75 0.00 5.56 0.63 -1.26 -5.27 116.66 118.11 2qbj n ARG 127 Ca 0.00 -3.01 0.00 0.00 -0.92 0.00 0.00 57.85 53.92 2qbj n ARG 127 Cb 0.02 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 31.64 2qbj n ARG 127 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45