#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbw n MET 1 N 0.00 0.00 -0.00 -2.82 0.00 -1.25 -4.84 117.12 108.20 1xbw n MET 1 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.74 1xbw n MET 1 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1xbw n MET 1 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1xbw n LYS 2 N -0.10 2.79 -4.01 0.03 4.76 0.49 -4.75 118.16 117.37 1xbw n LYS 2 Ca 0.00 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 1xbw n LYS 2 Cb 0.00 -1.01 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 1xbw n LYS 2 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1xbw s PHE 3 N -2.10 0.30 -0.01 2.13 5.36 -0.43 -0.79 117.98 122.43 1xbw s PHE 3 Ca 0.01 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1xbw s PHE 3 Cb 0.06 -0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 1xbw s PHE 3 CO 0.36 -0.06 -0.10 1.41 -1.46 0.00 0.00 175.22 175.38 1xbw s MET 4 N -0.61 0.84 0.05 10.12 -2.45 -0.57 0.45 119.30 127.13 1xbw s MET 4 Ca -0.05 -0.35 0.09 0.00 -1.25 0.00 0.00 55.69 54.14 1xbw s MET 4 Cb -0.04 -0.81 -0.03 0.00 1.25 0.00 0.00 34.83 35.20 1xbw s MET 4 CO -0.00 0.20 -0.26 0.00 1.05 0.00 0.00 175.02 176.00 1xbw s ALA 5 N -0.16 2.25 -0.09 4.11 0.00 -0.37 -0.20 121.76 127.30 1xbw s ALA 5 Ca 0.03 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1xbw s ALA 5 Cb -0.05 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1xbw s ALA 5 CO -0.00 0.53 -0.06 -2.00 0.00 0.00 0.00 175.76 174.23 1xbw s GLU 6 N -1.32 1.26 -0.45 0.00 2.12 0.25 -1.31 118.70 119.24 1xbw s GLU 6 Ca 0.12 -0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.12 1xbw s GLU 6 Cb -0.10 -1.34 0.05 0.00 0.26 0.00 0.00 34.13 33.00 1xbw s GLU 6 CO 0.02 -0.22 0.36 1.21 -0.54 0.00 0.00 175.26 176.10 1xbw s ASN 7 N 1.56 6.13 -0.25 -1.70 2.47 -0.34 0.09 114.94 122.90 1xbw s ASN 7 Ca 0.01 -1.18 -0.11 0.00 0.42 0.00 0.00 52.86 52.00 1xbw s ASN 7 Cb -0.13 -2.18 -0.05 0.00 -1.45 0.00 0.00 41.25 37.45 1xbw s ASN 7 CO -0.05 -0.58 0.20 -0.60 -3.72 0.00 0.00 177.10 172.36 1xbw s ARG 8 N 1.66 4.03 -0.15 0.43 3.52 0.14 -1.06 118.95 127.51 1xbw s ARG 8 Ca 0.04 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1xbw s ARG 8 Cb -0.22 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1xbw s ARG 8 CO 0.08 -0.06 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.83 1xbw s LEU 9 N 1.41 2.39 -0.19 -0.88 1.43 0.19 -0.62 118.68 122.40 1xbw s LEU 9 Ca 0.09 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1xbw s LEU 9 Cb -0.15 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1xbw s LEU 9 CO 0.08 0.08 0.08 -0.89 0.23 0.00 0.00 176.35 175.92 1xbw s THR 10 N 0.85 4.86 0.25 5.49 2.01 -0.18 -1.02 115.64 127.91 1xbw s THR 10 Ca -0.05 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1xbw s THR 10 Cb -0.15 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1xbw s THR 10 CO -0.01 0.45 0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 1xbw s LEU 11 N 0.47 2.09 0.34 4.42 1.02 0.12 0.19 118.68 127.34 1xbw s LEU 11 Ca 0.04 -1.27 -0.28 0.00 0.02 0.00 0.00 54.13 52.63 1xbw s LEU 11 Cb -0.12 -0.24 -0.12 0.00 0.02 0.00 0.00 46.19 45.73 1xbw s LEU 11 CO 0.00 -0.57 1.39 0.41 0.02 0.00 0.00 176.35 177.60 1xbw n THR 12 N -0.47 1.85 -1.63 5.49 -1.04 -0.03 -0.46 114.28 118.00 1xbw n THR 12 Ca -0.04 -0.46 -0.49 0.00 -2.04 0.00 0.00 64.05 61.02 1xbw n THR 12 Cb 0.65 -1.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 1xbw n THR 12 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1xbw n LYS 13 N 0.74 1.62 -1.36 -2.82 3.00 -1.25 -1.90 118.16 116.18 1xbw n LYS 13 Ca 0.04 0.58 -0.06 0.00 -0.00 0.00 0.00 58.31 58.88 1xbw n LYS 13 Cb 0.37 -2.28 -0.02 0.00 0.00 0.00 0.00 35.03 33.09 1xbw n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xbw n GLY 14 N 2.93 0.71 0.00 3.14 0.00 -1.26 -4.90 105.19 105.81 1xbw n GLY 14 Ca 0.18 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1xbw n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xbw n THR 15 N -3.05 0.00 0.21 2.61 -2.24 -0.80 -4.68 114.28 106.33 1xbw n THR 15 Ca -0.06 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1xbw n THR 15 Cb 0.27 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1xbw n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbw h ALA 16 N 0.79 -0.57 0.00 6.98 0.00 -1.92 -3.17 119.26 121.37 1xbw h ALA 16 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xbw h ALA 16 Cb 0.33 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xbw h ALA 16 CO 0.00 -0.84 0.00 1.17 0.00 0.00 0.00 179.25 179.58 1xbw n LYS 17 N -5.38 0.00 0.00 0.00 4.81 -1.26 -1.42 118.16 114.91 1xbw n LYS 17 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1xbw n LYS 17 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 1xbw n LYS 17 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xbw n ASP 18 N -3.00 0.00 0.00 3.14 5.75 -1.20 -4.36 116.55 116.88 1xbw n ASP 18 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1xbw n ASP 18 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1xbw n ASP 18 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1xbw n ILE 19 N -1.49 0.00 0.18 2.12 -5.35 -0.66 -3.33 119.36 110.82 1xbw n ILE 19 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.54 1xbw n ILE 19 Cb 0.00 -0.73 0.17 0.00 -1.74 0.00 0.00 39.64 37.34 1xbw n ILE 19 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1xbw h ILE 20 N 0.00 0.63 0.00 7.28 2.10 -1.44 -3.23 117.51 122.86 1xbw h ILE 20 Ca 0.00 -1.71 0.00 0.00 1.08 0.00 0.00 64.86 64.23 1xbw h ILE 20 Cb 0.00 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1xbw h ILE 20 CO 0.00 0.33 0.00 -0.33 -1.08 0.00 0.00 178.15 177.07 1xbw h GLU 21 N 0.00 0.00 0.00 2.19 5.08 -1.85 -2.30 114.58 117.70 1xbw h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xbw h GLU 21 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1xbw h GLU 21 CO 0.04 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 1xbw n ARG 22 N -2.90 0.04 0.00 2.33 1.74 -1.22 -1.72 116.66 114.92 1xbw n ARG 22 Ca 0.00 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.47 1xbw n ARG 22 Cb 0.25 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 1xbw n ARG 22 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xbw n PHE 23 N -1.42 0.00 1.19 -1.55 3.01 -0.86 -4.23 117.46 113.58 1xbw n PHE 23 Ca 0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1xbw n PHE 23 Cb 0.08 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.19 1xbw n PHE 23 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1xbw n TYR 24 N -0.34 0.00 -2.69 1.38 4.01 -0.70 -4.74 117.16 114.07 1xbw n TYR 24 Ca 0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.37 1xbw n TYR 24 Cb 0.29 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1xbw n TYR 24 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xbw s THR 25 N -2.80 4.49 -1.08 -0.72 2.01 -1.26 -4.97 115.64 111.31 1xbw s THR 25 Ca 0.20 1.49 -0.11 0.00 0.31 0.00 0.00 61.69 63.58 1xbw s THR 25 Cb 0.19 -4.41 0.25 0.00 0.01 0.00 0.00 72.50 68.54 1xbw s THR 25 CO 0.51 -0.57 1.11 -0.13 -0.69 0.00 0.00 174.62 174.85 1xbw s ARG 26 N 3.71 4.08 0.00 4.92 0.52 -1.26 -4.93 118.95 125.99 1xbw s ARG 26 Ca 0.43 -2.97 0.00 0.00 -0.52 0.00 0.00 55.73 52.68 1xbw s ARG 26 Cb -0.11 -4.62 0.00 0.00 0.52 0.00 0.00 34.95 30.73 1xbw s ARG 26 CO 0.19 -1.34 0.39 0.72 0.02 0.00 0.00 175.30 175.28 1xbw n HIS 27 N 3.45 0.00 -2.59 -0.53 8.25 -1.26 -3.35 115.22 119.19 1xbw n HIS 27 Ca 0.24 -0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1xbw n HIS 27 Cb 0.41 -0.35 0.02 0.00 1.12 0.00 0.00 29.99 31.18 1xbw n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xbw n GLY 28 N 2.77 0.09 0.12 -1.41 0.00 -1.26 -4.93 105.19 100.56 1xbw n GLY 28 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1xbw n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xbw h ILE 29 N -0.62 0.88 0.00 -0.61 2.10 -1.96 -3.25 117.51 114.04 1xbw h ILE 29 Ca -0.25 -2.32 0.00 0.00 1.08 0.00 0.00 64.86 63.36 1xbw h ILE 29 Cb 1.18 2.38 0.00 0.00 -1.09 0.00 0.00 36.82 39.28 1xbw h ILE 29 CO 0.27 0.50 0.00 -1.84 -1.08 0.00 0.00 178.15 176.00 1xbw n GLU 30 N -3.15 0.08 -0.33 2.19 0.00 -1.26 -2.39 120.64 115.78 1xbw n GLU 30 Ca -0.02 0.40 0.03 0.00 0.00 0.00 0.00 57.16 57.57 1xbw n GLU 30 Cb 0.79 -1.67 0.15 0.00 0.00 0.00 0.00 31.44 30.71 1xbw n GLU 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1xbw n THR 31 N -1.82 1.00 -4.18 3.84 -2.24 -1.23 -4.82 114.28 104.83 1xbw n THR 31 Ca 0.02 -0.51 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 1xbw n THR 31 Cb 0.14 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 1xbw n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xbw s LEU 32 N -1.00 3.75 0.18 3.22 1.02 -1.00 -5.02 118.68 119.83 1xbw s LEU 32 Ca 0.20 0.15 -0.13 0.00 0.02 0.00 0.00 54.13 54.37 1xbw s LEU 32 Cb 0.15 -1.90 0.12 0.00 0.02 0.00 0.00 46.19 44.59 1xbw s LEU 32 CO 0.06 0.30 1.81 1.05 0.02 0.00 0.00 176.35 179.59 1xbw h GLU 33 N 5.74 0.59 0.00 1.70 4.11 -1.91 -2.73 114.58 122.08 1xbw h GLU 33 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1xbw h GLU 33 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xbw h GLU 33 CO 0.61 0.39 0.00 0.41 0.07 0.00 0.00 179.01 180.49 1xbw n GLY 34 N -1.25 -1.41 3.71 1.06 0.00 -1.26 -4.82 105.19 101.22 1xbw n GLY 34 Ca 0.04 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1xbw n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xbw s PHE 35 N -3.01 3.38 -0.09 1.61 5.36 -1.03 -1.26 117.98 122.94 1xbw s PHE 35 Ca 0.12 1.24 0.10 0.00 -0.96 0.00 0.00 56.93 57.43 1xbw s PHE 35 Cb 0.17 -3.46 -0.14 0.00 -0.34 0.00 0.00 43.02 39.25 1xbw s PHE 35 CO 0.48 -1.46 0.07 -0.25 -1.46 0.00 0.00 175.22 172.59 1xbw n ASP 36 N 4.04 2.41 0.00 6.13 8.00 0.42 -4.92 116.55 132.62 1xbw n ASP 36 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1xbw n ASP 36 Cb 0.46 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.42 1xbw n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xbw n GLY 37 N 2.28 -0.46 3.39 0.44 0.00 -1.20 -4.96 105.19 104.68 1xbw n GLY 37 Ca -0.15 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1xbw n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xbw s MET 38 N -2.00 1.19 -0.04 1.61 0.23 -1.26 -0.27 119.30 118.76 1xbw s MET 38 Ca 0.00 -0.81 -0.06 0.00 -1.03 0.00 0.00 55.69 53.79 1xbw s MET 38 Cb 0.00 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.79 1xbw s MET 38 CO 0.00 -0.48 0.15 -0.06 -2.03 0.00 0.00 175.02 172.60 1xbw s PHE 39 N -3.84 -0.11 -0.15 3.16 0.08 0.18 -4.99 117.98 112.30 1xbw s PHE 39 Ca 0.06 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.38 1xbw s PHE 39 Cb 0.01 0.03 0.03 0.00 -0.57 0.00 0.00 43.02 42.51 1xbw s PHE 39 CO -0.08 -0.14 -0.13 0.08 -0.10 0.00 0.00 175.22 174.86 1xbw s VAL 40 N -0.33 1.51 0.31 -0.44 1.01 -1.26 -0.22 120.40 120.98 1xbw s VAL 40 Ca -0.04 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1xbw s VAL 40 Cb -0.03 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1xbw s VAL 40 CO 0.01 0.40 -0.10 0.42 0.00 0.00 0.00 175.10 175.83 1xbw s THR 41 N 1.50 2.56 -0.15 3.92 -4.23 0.12 -4.96 115.64 114.40 1xbw s THR 41 Ca 0.04 -2.19 -0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1xbw s THR 41 Cb -0.13 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1xbw s THR 41 CO -0.10 -0.30 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.53 1xbw s GLN 42 N -3.60 1.45 0.27 3.99 -0.21 -1.26 -1.41 119.66 118.89 1xbw s GLN 42 Ca 0.32 -0.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 1xbw s GLN 42 Cb -0.02 -1.90 -0.10 0.00 1.00 0.00 0.00 33.01 31.99 1xbw s GLN 42 CO 0.17 -0.39 1.39 0.99 -2.12 0.00 0.00 175.29 175.33 1xbw s THR 43 N 1.65 2.70 0.12 -0.19 2.01 -0.83 -5.01 115.64 116.09 1xbw s THR 43 Ca 0.02 0.62 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 1xbw s THR 43 Cb -0.15 -3.40 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1xbw s THR 43 CO -0.08 0.12 0.44 -0.76 -0.69 0.00 0.00 174.62 173.65 1xbw s LEU 44 N -0.84 4.32 -1.41 4.42 1.43 -1.26 -4.34 118.68 121.00 1xbw s LEU 44 Ca 0.56 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1xbw s LEU 44 Cb -0.41 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1xbw s LEU 44 CO 0.46 0.12 0.15 -0.62 0.23 0.00 0.00 176.35 176.69 1xbw n GLU 45 N 0.67 -2.15 -2.91 1.70 -0.58 -1.26 -4.96 120.64 111.16 1xbw n GLU 45 Ca -0.06 0.80 -0.43 0.00 -0.42 0.00 0.00 57.16 57.06 1xbw n GLU 45 Cb 0.52 -5.27 -0.05 0.00 -0.57 0.00 0.00 31.44 26.07 1xbw n GLU 45 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1xbw s GLN 46 N -5.04 3.43 0.00 3.49 2.00 -1.26 -5.00 119.66 117.28 1xbw s GLN 46 Ca 0.07 -0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 1xbw s GLN 46 Cb -0.03 -3.95 0.00 0.00 0.80 0.00 0.00 33.01 29.83 1xbw s GLN 46 CO 0.09 -1.20 0.00 0.39 -0.50 0.00 0.00 175.29 174.07 1xbw n GLU 47 N 6.93 0.00 -0.21 1.67 4.71 -1.26 -3.89 120.64 128.59 1xbw n GLU 47 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.27 1xbw n GLU 47 Cb 0.48 -0.07 0.25 0.00 -1.01 0.00 0.00 31.44 31.09 1xbw n GLU 47 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1xbw n ASP 48 N 0.00 2.63 -3.99 1.62 5.68 -1.26 -4.96 116.55 116.27 1xbw n ASP 48 Ca 0.00 -1.94 -0.10 0.00 -0.50 0.00 0.00 54.79 52.26 1xbw n ASP 48 Cb 0.00 -0.28 -0.06 0.00 -1.14 0.00 0.00 41.12 39.64 1xbw n ASP 48 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1xbw s PHE 49 N -1.45 0.43 -0.01 2.11 -0.71 -1.25 -3.94 117.98 113.16 1xbw s PHE 49 Ca 0.34 -0.77 -0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1xbw s PHE 49 Cb 0.19 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1xbw s PHE 49 CO 0.25 -0.84 0.08 -0.51 -1.34 0.00 0.00 175.22 172.86 1xbw s ASP 50 N -3.00 5.67 -0.06 1.98 1.01 0.39 -4.68 116.67 117.98 1xbw s ASP 50 Ca 0.21 0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.64 1xbw s ASP 50 Cb 0.02 -1.63 0.02 0.00 1.01 0.00 0.00 42.92 42.34 1xbw s ASP 50 CO 0.05 0.28 -0.08 -0.70 0.21 0.00 0.00 175.17 174.92 1xbw s GLU 51 N -1.70 1.28 -0.05 8.23 2.12 -1.26 0.13 118.70 127.44 1xbw s GLU 51 Ca 0.22 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1xbw s GLU 51 Cb -0.12 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.13 1xbw s GLU 51 CO 0.13 -0.03 -0.21 0.08 -0.54 0.00 0.00 175.26 174.69 1xbw s VAL 52 N 0.79 1.77 -0.07 3.70 1.01 -0.19 -1.96 120.40 125.45 1xbw s VAL 52 Ca -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1xbw s VAL 52 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1xbw s VAL 52 CO 0.02 0.50 -0.19 -0.54 0.00 0.00 0.00 175.10 174.89 1xbw s LYS 53 N -0.03 2.31 -0.39 2.72 1.02 -0.50 -0.64 119.74 124.21 1xbw s LYS 53 Ca -0.05 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1xbw s LYS 53 Cb -0.13 -1.85 0.08 0.00 -0.52 0.00 0.00 37.83 35.41 1xbw s LYS 53 CO 0.03 0.17 0.20 0.42 -0.92 0.00 0.00 175.35 175.25 1xbw s ILE 54 N 0.33 3.87 -0.25 2.17 -1.09 -0.23 -0.70 121.20 125.30 1xbw s ILE 54 Ca -0.13 -1.48 -0.09 0.00 -2.23 0.00 0.00 60.65 56.72 1xbw s ILE 54 Cb -0.15 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1xbw s ILE 54 CO 0.05 -0.46 0.13 -0.76 -1.23 0.00 0.00 174.94 172.68 1xbw s LEU 55 N 1.35 3.83 -0.10 2.97 1.43 0.70 -1.20 118.68 127.66 1xbw s LEU 55 Ca 0.03 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1xbw s LEU 55 Cb -0.22 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1xbw s LEU 55 CO 0.01 0.01 -0.18 0.42 0.23 0.00 0.00 176.35 176.83 1xbw s THR 56 N 1.37 2.59 -0.14 5.49 -4.23 -0.43 -0.65 115.64 119.65 1xbw s THR 56 Ca 0.06 -0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1xbw s THR 56 Cb -0.15 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1xbw s THR 56 CO 0.06 0.55 0.16 -0.69 -0.54 0.00 0.00 174.62 174.16 1xbw s VAL 57 N 0.15 5.44 0.17 2.29 1.01 0.63 -1.24 120.40 128.85 1xbw s VAL 57 Ca -0.10 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1xbw s VAL 57 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1xbw s VAL 57 CO 0.06 0.55 -0.06 0.26 0.00 0.00 0.00 175.10 175.91 1xbw s TRP 58 N -0.56 1.29 -0.53 5.22 0.52 0.17 -0.44 118.94 124.61 1xbw s TRP 58 Ca 0.14 -0.85 0.24 0.00 0.02 0.00 0.00 56.10 55.64 1xbw s TRP 58 Cb -0.12 -0.70 0.41 0.00 -1.15 0.00 0.00 33.47 31.91 1xbw s TRP 58 CO 0.03 -0.01 1.48 0.87 0.02 0.00 0.00 176.95 179.34 1xbw h LYS 59 N 2.71 0.00 -2.78 4.98 1.57 -1.45 0.18 116.57 121.78 1xbw h LYS 59 Ca -0.37 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1xbw h LYS 59 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 1xbw h LYS 59 CO 0.64 0.00 0.30 -1.54 -0.57 0.00 0.00 179.45 178.28 1xbw s SER 60 N -5.10 -0.47 0.45 0.86 1.04 -1.26 -4.17 113.70 105.04 1xbw s SER 60 Ca 0.06 -0.08 0.21 0.00 0.48 0.00 0.00 55.95 56.63 1xbw s SER 60 Cb 0.10 0.55 1.05 0.00 0.10 0.00 0.00 66.02 67.82 1xbw s SER 60 CO 0.68 -0.91 1.92 0.50 0.98 0.00 0.00 173.24 176.41 1xbw h LYS 61 N 2.00 0.00 -0.15 4.02 3.64 -1.92 -2.85 116.57 121.32 1xbw h LYS 61 Ca -0.29 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1xbw h LYS 61 Cb 1.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1xbw h LYS 61 CO 0.34 0.24 -0.09 0.37 -2.27 0.00 0.00 179.45 178.04 1xbw h GLN 62 N 0.00 0.32 -0.82 1.90 5.75 -1.98 0.76 115.11 121.04 1xbw h GLN 62 Ca -0.00 -0.15 0.14 0.00 -0.15 0.00 0.00 58.65 58.49 1xbw h GLN 62 Cb 0.56 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.02 1xbw h GLN 62 CO 0.03 0.66 0.41 0.00 -2.65 0.00 0.00 178.83 177.28 1xbw h ALA 63 N 0.65 1.22 0.08 3.38 0.00 -1.88 0.39 119.26 123.10 1xbw h ALA 63 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xbw h ALA 63 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xbw h ALA 63 CO 0.03 -0.11 -0.04 0.35 0.00 0.00 0.00 179.25 179.48 1xbw h PHE 64 N 0.59 -0.10 0.00 0.00 3.57 -1.37 -2.51 116.94 117.12 1xbw h PHE 64 Ca 0.45 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 1xbw h PHE 64 Cb 0.63 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1xbw h PHE 64 CO -0.10 0.21 -0.08 1.79 -2.23 0.00 0.00 178.31 177.89 1xbw h THR 65 N -0.41 0.90 0.09 4.41 1.35 0.02 -2.38 112.91 116.89 1xbw h THR 65 Ca -0.01 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xbw h THR 65 Cb 0.35 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1xbw h THR 65 CO 0.02 0.08 -0.04 0.44 -0.25 0.00 0.00 175.52 175.77 1xbw h ASP 66 N 0.00 -0.10 -0.08 5.36 5.19 -0.15 -2.92 116.42 123.72 1xbw h ASP 66 Ca -0.00 -0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1xbw h ASP 66 Cb 0.16 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1xbw h ASP 66 CO 0.01 0.25 0.12 -0.25 -3.12 0.00 0.00 179.24 176.25 1xbw h TRP 67 N -0.46 0.00 0.00 4.55 7.01 -1.05 -0.48 115.95 125.52 1xbw h TRP 67 Ca -0.01 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1xbw h TRP 67 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1xbw h TRP 67 CO 0.04 0.00 0.00 -0.07 -2.79 0.00 0.00 178.44 175.62 1xbw h LEU 68 N 0.00 0.00 -7.08 0.65 3.38 -1.24 -3.33 115.31 107.70 1xbw h LEU 68 Ca 0.04 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.38 1xbw h LEU 68 Cb 0.27 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.61 1xbw h LEU 68 CO -0.00 0.00 -0.51 2.29 0.09 0.00 0.00 178.44 180.31 1xbw n LYS 69 N -2.99 1.98 0.00 1.13 2.85 -0.19 -5.12 118.16 115.82 1xbw n LYS 69 Ca 0.01 -4.50 0.00 0.00 -1.05 0.00 0.00 58.31 52.77 1xbw n LYS 69 Cb 0.32 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 1xbw n LYS 69 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1xbw n SER 70 N 1.94 0.00 0.00 -5.58 3.41 -1.25 -5.00 113.62 107.14 1xbw n SER 70 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1xbw n SER 70 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1xbw n SER 70 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xbw n SER 89 N 0.00 0.00 0.17 4.04 2.88 -1.26 -4.97 113.62 114.48 1xbw n SER 89 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1xbw n SER 89 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 1xbw n SER 89 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xbw h PRO 90 N 0.00 0.00 -5.88 -1.46 0.11 -1.97 -3.44 132.00 119.36 1xbw h PRO 90 Ca 0.00 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.67 1xbw h PRO 90 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1xbw h PRO 90 CO 0.00 0.36 1.20 0.42 -0.21 0.00 0.00 178.00 179.77 1xbw s ILE 91 N -3.18 3.34 0.18 4.15 1.01 -1.26 -0.85 121.20 124.59 1xbw s ILE 91 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 1xbw s ILE 91 Cb 0.08 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1xbw s ILE 91 CO 0.71 -0.83 1.60 0.40 0.00 0.00 0.00 174.94 176.82 1xbw h ILE 92 N 7.05 1.27 -2.64 2.92 2.04 0.19 -3.46 117.51 124.88 1xbw h ILE 92 Ca -0.17 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 1xbw h ILE 92 Cb 1.13 1.04 -0.22 0.00 -0.74 0.00 0.00 36.82 38.04 1xbw h ILE 92 CO 1.21 0.45 -0.14 0.21 0.00 0.00 0.00 178.15 179.88 1xbw s ASN 93 N -6.69 -0.42 -0.23 1.72 2.47 -0.99 -4.97 114.94 105.82 1xbw s ASN 93 Ca -0.11 0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.79 1xbw s ASN 93 Cb 0.13 0.67 0.06 0.00 -1.45 0.00 0.00 41.25 40.66 1xbw s ASN 93 CO 0.86 -0.34 -0.04 0.21 -3.72 0.00 0.00 177.10 174.08 1xbw s ASN 94 N -0.53 3.70 0.07 -4.21 3.04 -1.26 -1.01 114.94 114.73 1xbw s ASN 94 Ca -0.06 -1.13 0.08 0.00 0.04 0.00 0.00 52.86 51.79 1xbw s ASN 94 Cb -0.03 -1.08 -0.03 0.00 -1.54 0.00 0.00 41.25 38.57 1xbw s ASN 94 CO 0.03 -0.25 -0.23 -0.75 -3.04 0.00 0.00 177.10 172.86 1xbw s LYS 95 N 1.47 1.44 -0.13 0.43 2.20 0.21 -4.99 119.74 120.37 1xbw s LYS 95 Ca -0.05 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1xbw s LYS 95 Cb -0.19 -1.65 -0.01 0.00 -1.51 0.00 0.00 37.83 34.48 1xbw s LYS 95 CO -0.07 0.41 -0.15 0.08 -0.36 0.00 0.00 175.35 175.27 1xbw s VAL 96 N -0.90 2.84 -0.03 4.02 1.01 -1.26 0.28 120.40 126.36 1xbw s VAL 96 Ca 0.09 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1xbw s VAL 96 Cb -0.09 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1xbw s VAL 96 CO 0.03 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.81 1xbw s ILE 97 N 0.45 1.70 0.12 2.22 1.09 0.11 -4.97 121.20 121.93 1xbw s ILE 97 Ca -0.11 -0.90 0.10 0.00 -1.10 0.00 0.00 60.65 58.64 1xbw s ILE 97 Cb -0.16 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1xbw s ILE 97 CO 0.05 0.48 -0.22 0.42 -0.10 0.00 0.00 174.94 175.57 1xbw s THR 98 N -0.32 2.58 0.05 2.92 -4.23 -1.26 0.84 115.64 116.21 1xbw s THR 98 Ca 0.03 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1xbw s THR 98 Cb -0.10 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1xbw s THR 98 CO 0.01 0.12 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.87 1xbw s TYR 99 N -1.09 0.46 -0.18 3.99 1.51 0.73 -5.00 117.35 117.76 1xbw s TYR 99 Ca 0.16 -0.95 -0.09 0.00 -1.01 0.00 0.00 57.07 55.18 1xbw s TYR 99 Cb -0.10 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 1xbw s TYR 99 CO 0.08 -0.35 0.11 -0.51 -1.11 0.00 0.00 175.55 173.77 1xbw s ASP 100 N -2.67 6.10 -0.49 2.29 1.01 -1.26 -1.51 116.67 120.14 1xbw s ASP 100 Ca 0.03 0.24 -0.20 0.00 0.71 0.00 0.00 52.55 53.32 1xbw s ASP 100 Cb 0.05 -2.04 0.04 0.00 1.01 0.00 0.00 42.92 41.98 1xbw s ASP 100 CO -0.08 0.22 0.68 -0.63 0.21 0.00 0.00 175.17 175.57 1xbw s ILE 101 N 0.09 4.78 -0.81 0.77 1.01 0.03 -4.90 121.20 122.16 1xbw s ILE 101 Ca 0.08 -0.17 0.27 0.00 0.00 0.00 0.00 60.65 60.83 1xbw s ILE 101 Cb -0.11 -4.31 0.23 0.00 0.01 0.00 0.00 42.46 38.28 1xbw s ILE 101 CO -0.00 -0.79 1.75 0.61 0.00 0.00 0.00 174.94 176.51 1xbw n GLY 102 N 5.12 -1.59 3.63 6.18 0.00 -1.26 -4.72 105.19 112.55 1xbw n GLY 102 Ca -0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1xbw n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xbw s TYR 103 N -3.07 -0.35 0.07 1.61 6.14 -1.26 -5.19 117.35 115.30 1xbw s TYR 103 Ca 0.11 0.80 -0.09 0.00 0.64 0.00 0.00 57.07 58.52 1xbw s TYR 103 Cb 0.15 0.41 0.00 0.00 0.42 0.00 0.00 41.96 42.94 1xbw s TYR 103 CO 0.60 -0.20 0.20 -1.54 0.64 0.00 0.00 175.55 175.24 1xbw s SER 104 N -0.16 0.07 -0.30 4.32 1.04 -1.26 -5.15 113.70 112.27 1xbw s SER 104 Ca 0.03 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.88 1xbw s SER 104 Cb -0.04 0.32 0.15 0.00 0.10 0.00 0.00 66.02 66.55 1xbw s SER 104 CO -0.06 -0.65 0.62 -0.47 0.98 0.00 0.00 173.24 173.65 1xbw s TYR 105 N -3.27 -1.42 -0.00 5.02 6.14 -1.26 -5.17 117.35 117.38 1xbw s TYR 105 Ca 0.00 2.08 0.02 0.00 0.64 0.00 0.00 57.07 59.82 1xbw s TYR 105 Cb 0.02 0.70 -0.03 0.00 0.42 0.00 0.00 41.96 43.07 1xbw s TYR 105 CO -0.08 -0.74 -0.04 -1.64 0.64 0.00 0.00 175.55 173.69 1xbw s MET 106 N 2.88 2.64 0.00 4.97 -1.94 -1.26 -5.32 119.30 121.27 1xbw s MET 106 Ca 0.04 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.35 1xbw s MET 106 Cb -0.13 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.14 1xbw s MET 106 CO -0.20 0.61 0.00 1.63 -0.01 0.00 0.00 175.02 177.06