#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 1.09 2.00 -1.25 -4.80 117.12 114.16 1xbw n MET 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1xbw n MET 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.21 0.08 -3.81 0.03 5.02 0.81 -4.82 118.16 115.68 1xbw n LYS 2 Ca 0.00 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.00 1xbw n LYS 2 Cb 0.00 -0.62 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 1xbw n LYS 2 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1xbw s PHE 3 N -0.06 -0.18 -0.03 2.13 2.19 -0.58 -1.16 117.98 120.28 1xbw s PHE 3 Ca 0.00 0.45 0.03 0.00 0.33 0.00 0.00 56.93 57.74 1xbw s PHE 3 Cb 0.00 0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.77 1xbw s PHE 3 CO 0.00 -0.09 -0.11 1.41 1.83 0.00 0.00 175.22 178.26 1xbw s MET 4 N 0.11 1.21 -0.05 10.12 -2.45 -0.26 0.52 119.30 128.50 1xbw s MET 4 Ca -0.00 -0.38 0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1xbw s MET 4 Cb -0.01 -1.09 -0.02 0.00 1.25 0.00 0.00 34.83 34.95 1xbw s MET 4 CO 0.00 0.13 -0.16 0.00 1.05 0.00 0.00 175.02 176.04 1xbw s ALA 5 N 0.22 2.59 -0.08 4.11 0.00 -0.37 -0.21 121.76 128.02 1xbw s ALA 5 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1xbw s ALA 5 Cb -0.10 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1xbw s ALA 5 CO 0.01 0.52 -0.13 -2.00 0.00 0.00 0.00 175.76 174.17 1xbw s GLU 6 N -0.60 1.85 -0.40 0.00 2.12 0.17 -1.51 118.70 120.33 1xbw s GLU 6 Ca 0.09 -0.44 -0.08 0.00 0.36 0.00 0.00 54.97 54.89 1xbw s GLU 6 Cb -0.11 -1.58 0.07 0.00 0.26 0.00 0.00 34.13 32.77 1xbw s GLU 6 CO 0.01 -0.03 0.22 1.21 -0.54 0.00 0.00 175.26 176.13 1xbw s ASN 7 N 0.87 5.54 -0.27 -1.70 2.47 -0.71 -0.22 114.94 120.92 1xbw s ASN 7 Ca -0.10 -1.45 -0.13 0.00 0.42 0.00 0.00 52.86 51.60 1xbw s ASN 7 Cb -0.15 -1.95 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 1xbw s ASN 7 CO 0.01 -0.48 0.28 -0.60 -3.72 0.00 0.00 177.10 172.59 1xbw s ARG 8 N 1.40 4.00 -0.22 0.43 3.52 0.31 -1.17 118.95 127.23 1xbw s ARG 8 Ca 0.02 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1xbw s ARG 8 Cb -0.22 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 1xbw s ARG 8 CO 0.02 -0.19 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.76 1xbw s LEU 9 N 1.81 2.89 -0.19 -0.88 1.43 0.11 -1.24 118.68 122.61 1xbw s LEU 9 Ca 0.11 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1xbw s LEU 9 Cb -0.16 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1xbw s LEU 9 CO 0.10 -0.02 0.28 -0.89 0.23 0.00 0.00 176.35 176.05 1xbw s THR 10 N 1.47 5.30 0.23 5.49 2.01 -0.48 -1.04 115.64 128.62 1xbw s THR 10 Ca 0.06 0.49 0.09 0.00 0.31 0.00 0.00 61.69 62.64 1xbw s THR 10 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1xbw s THR 10 CO -0.03 0.36 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.33 1xbw s LEU 11 N 0.74 2.57 0.29 4.42 1.43 0.32 0.36 118.68 128.81 1xbw s LEU 11 Ca 0.15 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 1xbw s LEU 11 Cb -0.13 -0.84 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 1xbw s LEU 11 CO 0.04 -0.09 1.30 0.42 0.23 0.00 0.00 176.35 178.25 1xbw s THR 12 N -2.79 2.87 -0.30 5.49 -4.23 -0.56 -0.80 115.64 115.32 1xbw s THR 12 Ca 0.25 0.83 -0.37 0.00 -1.18 0.00 0.00 61.69 61.22 1xbw s THR 12 Cb -0.02 -3.53 -0.13 0.00 1.34 0.00 0.00 72.50 70.16 1xbw s THR 12 CO 0.10 0.18 2.02 1.17 -0.54 0.00 0.00 174.62 177.55 1xbw n LYS 13 N 1.32 1.20 0.00 3.99 3.00 -1.26 -2.02 118.16 124.39 1xbw n LYS 13 Ca 0.02 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1xbw n LYS 13 Cb 0.42 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.11 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 5.64 2.09 0.37 3.14 0.00 -1.26 -4.95 105.19 110.22 1xbw n GLY 14 Ca 0.35 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.74 0.00 -0.31 2.61 -2.24 -0.86 -4.17 114.28 108.58 1xbw n THR 15 Ca 0.00 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1xbw n THR 15 Cb 0.00 0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.65 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 4.16 1.07 -1.15 6.98 0.00 -1.94 -3.28 119.26 125.10 1xbw h ALA 16 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xbw h ALA 16 Cb 0.44 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xbw h ALA 16 CO 0.00 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1xbw n LYS 17 N -4.36 0.00 0.00 0.00 5.02 -1.26 -2.16 118.16 115.40 1xbw n LYS 17 Ca 0.08 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1xbw n LYS 17 Cb 0.12 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1xbw n LYS 17 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xbw n ASP 18 N -1.96 0.00 -0.20 4.39 5.68 -1.25 -3.82 116.55 119.39 1xbw n ASP 18 Ca 0.00 0.85 0.14 0.00 -0.50 0.00 0.00 54.79 55.27 1xbw n ASP 18 Cb 0.00 -0.40 0.26 0.00 -1.14 0.00 0.00 41.12 39.84 1xbw n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xbw n ILE 19 N -1.69 -0.25 -0.26 2.12 3.06 -1.24 -1.71 119.36 119.38 1xbw n ILE 19 Ca 0.00 1.28 0.15 0.00 -2.50 0.00 0.00 62.75 61.69 1xbw n ILE 19 Cb 0.00 -1.96 0.44 0.00 0.54 0.00 0.00 39.64 38.65 1xbw n ILE 19 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 1xbw h ILE 20 N 0.00 0.74 0.00 9.51 2.10 -1.53 -2.54 117.51 125.79 1xbw h ILE 20 Ca 0.43 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.18 1xbw h ILE 20 Cb 1.03 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1xbw h ILE 20 CO -0.52 0.10 0.00 -0.33 -1.08 0.00 0.00 178.15 176.32 1xbw h GLU 21 N 0.56 0.00 0.00 2.19 5.08 -1.53 -2.19 114.58 118.69 1xbw h GLU 21 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1xbw h GLU 21 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xbw h GLU 21 CO -0.21 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.69 1xbw n ARG 22 N -2.38 0.03 -0.00 2.33 1.85 -0.96 -3.16 116.66 114.37 1xbw n ARG 22 Ca -0.00 0.02 0.10 0.00 -1.00 0.00 0.00 57.85 56.96 1xbw n ARG 22 Cb 0.12 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.90 1xbw n ARG 22 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xbw n PHE 23 N -1.48 0.00 0.27 2.89 3.72 -0.82 -4.14 117.46 117.89 1xbw n PHE 23 Ca 0.07 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 1xbw n PHE 23 Cb 0.32 -0.21 0.70 0.00 -0.94 0.00 0.00 39.48 39.35 1xbw n PHE 23 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1xbw h TYR 24 N 0.00 0.00 -2.98 1.38 -1.99 -1.62 -3.49 116.97 108.26 1xbw h TYR 24 Ca 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 1xbw h TYR 24 Cb 0.68 0.00 0.16 0.00 2.00 0.00 0.00 36.73 39.57 1xbw h TYR 24 CO 0.00 0.00 0.07 2.41 -0.00 0.00 0.00 178.16 180.64 1xbw n THR 25 N -2.50 0.00 -1.04 -2.88 -1.04 -1.26 -5.15 114.28 100.42 1xbw n THR 25 Ca -0.01 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.05 61.40 1xbw n THR 25 Cb 0.12 -1.16 -0.08 0.00 -1.82 0.00 0.00 70.33 67.40 1xbw n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xbw n GLY 28 N -3.57 3.45 0.09 3.41 0.00 -1.26 -5.13 105.19 102.18 1xbw n GLY 28 Ca 0.12 -1.21 0.04 0.00 0.00 0.00 0.00 46.02 44.98 1xbw n GLY 28 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xbw n ILE 29 N 3.28 0.85 1.14 -0.61 3.06 -1.26 -3.89 119.36 121.94 1xbw n ILE 29 Ca 0.56 -0.63 0.10 0.00 -2.50 0.00 0.00 62.75 60.28 1xbw n ILE 29 Cb 0.44 -0.49 0.55 0.00 0.54 0.00 0.00 39.64 40.69 1xbw n ILE 29 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1xbw n GLU 30 N -2.72 0.53 0.16 9.51 0.00 -1.26 -2.54 120.64 124.33 1xbw n GLU 30 Ca -0.08 0.02 0.12 0.00 0.00 0.00 0.00 57.16 57.23 1xbw n GLU 30 Cb 0.74 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.82 1xbw n GLU 30 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1xbw h THR 31 N 0.00 0.00 -3.96 3.84 1.35 -1.95 -3.46 112.91 108.73 1xbw h THR 31 Ca 0.00 -0.91 -0.49 0.00 -0.55 0.00 0.00 66.41 64.46 1xbw h THR 31 Cb 0.04 1.74 0.03 0.00 -1.73 0.00 0.00 68.15 68.23 1xbw h THR 31 CO 0.00 0.00 0.44 -0.76 -0.25 0.00 0.00 175.52 174.95 1xbw s LEU 32 N -5.66 4.15 0.17 3.87 1.43 -1.05 -4.96 118.68 116.63 1xbw s LEU 32 Ca 0.05 2.15 -0.04 0.00 -1.03 0.00 0.00 54.13 55.26 1xbw s LEU 32 Cb 0.08 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.19 1xbw s LEU 32 CO 0.70 -0.57 1.42 -0.08 0.23 0.00 0.00 176.35 178.05 1xbw h GLU 33 N 2.53 0.51 0.00 1.70 4.22 -1.91 -3.08 114.58 118.55 1xbw h GLU 33 Ca -0.48 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 58.56 1xbw h GLU 33 Cb 1.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xbw h GLU 33 CO 0.62 1.02 0.00 0.41 -2.18 0.00 0.00 179.01 178.88 1xbw n GLY 34 N 0.52 -1.07 3.74 1.92 0.00 -1.26 -4.80 105.19 104.24 1xbw n GLY 34 Ca -0.05 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.21 3.59 -0.05 1.61 5.36 -1.16 -0.31 117.98 124.80 1xbw s PHE 35 Ca 0.40 1.02 0.06 0.00 -0.96 0.00 0.00 56.93 57.44 1xbw s PHE 35 Cb 0.21 -2.56 -0.08 0.00 -0.34 0.00 0.00 43.02 40.24 1xbw s PHE 35 CO 0.39 0.26 0.06 -0.25 -1.46 0.00 0.00 175.22 174.21 1xbw n ASP 36 N 3.24 3.50 0.00 6.13 8.00 0.46 -4.91 116.55 132.98 1xbw n ASP 36 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1xbw n ASP 36 Cb 0.51 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 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 2.48 1.57 3.19 0.44 0.00 -1.11 -4.94 105.19 106.82 1xbw n GLY 37 Ca -0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 0.65 0.01 1.61 0.23 -1.26 0.79 119.30 119.33 1xbw s MET 38 Ca 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 55.69 54.28 1xbw s MET 38 Cb 0.00 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.56 1xbw s MET 38 CO 0.00 -0.18 -0.12 -0.06 -2.03 0.00 0.00 175.02 172.63 1xbw s PHE 39 N -1.88 1.03 -0.15 3.16 0.08 0.19 -4.97 117.98 115.43 1xbw s PHE 39 Ca -0.10 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1xbw s PHE 39 Cb -0.04 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1xbw s PHE 39 CO 0.00 -0.00 -0.16 0.08 -0.10 0.00 0.00 175.22 175.04 1xbw s VAL 40 N -0.56 1.72 0.35 -0.44 1.01 -1.26 0.84 120.40 122.07 1xbw s VAL 40 Ca 0.02 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1xbw s VAL 40 Cb -0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1xbw s VAL 40 CO 0.00 0.48 -0.03 0.42 0.00 0.00 0.00 175.10 175.98 1xbw s THR 41 N 1.33 1.90 -0.06 3.92 -4.23 0.02 -4.96 115.64 113.56 1xbw s THR 41 Ca 0.03 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1xbw s THR 41 Cb -0.13 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.97 1xbw s THR 41 CO -0.10 -0.12 -0.07 -1.58 -0.54 0.00 0.00 174.62 172.21 1xbw s GLN 42 N -3.71 1.17 0.06 3.99 0.74 -1.26 -2.23 119.66 118.42 1xbw s GLN 42 Ca 0.33 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 1xbw s GLN 42 Cb 0.06 -1.11 -0.05 0.00 1.10 0.00 0.00 33.01 33.01 1xbw s GLN 42 CO 0.16 -0.08 1.13 0.99 -0.55 0.00 0.00 175.29 176.94 1xbw s THR 43 N 0.99 4.23 0.40 -0.34 2.01 -0.86 -5.03 115.64 117.05 1xbw s THR 43 Ca -0.09 1.64 -0.07 0.00 0.31 0.00 0.00 61.69 63.48 1xbw s THR 43 Cb -0.14 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1xbw s THR 43 CO 0.00 0.15 0.72 -0.76 -0.69 0.00 0.00 174.62 174.04 1xbw s LEU 44 N 0.84 3.83 -1.41 4.42 1.43 -1.26 -4.25 118.68 122.28 1xbw s LEU 44 Ca 0.56 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1xbw s LEU 44 Cb -0.27 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1xbw s LEU 44 CO 0.30 -0.40 0.04 -0.62 0.23 0.00 0.00 176.35 175.89 1xbw n GLU 45 N -1.54 -2.13 -2.82 1.70 1.02 -1.26 -4.94 120.64 110.67 1xbw n GLU 45 Ca 0.01 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 1xbw n GLU 45 Cb 0.54 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 26.49 1xbw n GLU 45 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xbw s GLN 46 N -5.09 3.96 0.00 3.49 -1.52 -1.26 -4.99 119.66 114.26 1xbw s GLN 46 Ca 0.02 0.73 -0.25 0.00 -1.95 0.00 0.00 55.36 53.91 1xbw s GLN 46 Cb -0.01 -3.75 -0.15 0.00 -0.22 0.00 0.00 33.01 28.88 1xbw s GLN 46 CO 0.03 -0.80 1.11 0.93 -0.25 0.00 0.00 175.29 176.31 1xbw h GLU 47 N 8.19 -0.64 0.00 2.91 4.39 -1.97 -3.40 114.58 124.06 1xbw h GLU 47 Ca -0.23 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1xbw h GLU 47 Cb 1.08 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1xbw h GLU 47 CO 0.95 -0.34 -1.83 -0.25 -1.16 0.00 0.00 179.01 176.39 1xbw n ASP 48 N -5.25 0.41 -4.06 1.42 8.00 -1.26 -5.02 116.55 110.79 1xbw n ASP 48 Ca -0.10 -0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.20 1xbw n ASP 48 Cb 0.31 1.83 -0.08 0.00 -0.02 0.00 0.00 41.12 43.16 1xbw n ASP 48 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xbw s PHE 49 N -3.36 0.67 0.21 1.24 0.08 -1.26 -3.98 117.98 111.58 1xbw s PHE 49 Ca -0.06 -1.01 0.05 0.00 0.12 0.00 0.00 56.93 56.03 1xbw s PHE 49 Cb 0.13 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1xbw s PHE 49 CO 0.84 -0.66 0.29 -0.51 -0.10 0.00 0.00 175.22 175.08 1xbw s ASP 50 N -3.03 6.11 -0.03 1.36 1.01 0.02 -4.74 116.67 117.37 1xbw s ASP 50 Ca 0.23 0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.51 1xbw s ASP 50 Cb 0.05 -1.75 0.03 0.00 1.01 0.00 0.00 42.92 42.25 1xbw s ASP 50 CO 0.03 -0.02 0.01 -0.70 0.21 0.00 0.00 175.17 174.70 1xbw s GLU 51 N -3.68 0.23 -0.09 8.23 2.12 -1.26 -0.52 118.70 123.73 1xbw s GLU 51 Ca 0.34 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.84 1xbw s GLU 51 Cb -0.09 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.80 1xbw s GLU 51 CO 0.28 -0.18 -0.22 0.08 -0.54 0.00 0.00 175.26 174.68 1xbw s VAL 52 N 1.26 1.86 -0.11 3.70 1.01 -0.21 -2.02 120.40 125.89 1xbw s VAL 52 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1xbw s VAL 52 Cb -0.13 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1xbw s VAL 52 CO -0.02 0.52 -0.19 -0.54 0.00 0.00 0.00 175.10 174.86 1xbw s LYS 53 N 0.34 2.62 -0.45 2.72 1.02 -0.95 0.09 119.74 125.13 1xbw s LYS 53 Ca -0.16 -0.72 -0.12 0.00 0.02 0.00 0.00 55.97 54.99 1xbw s LYS 53 Cb -0.17 -2.12 0.08 0.00 -0.52 0.00 0.00 37.83 35.11 1xbw s LYS 53 CO 0.07 0.02 0.34 0.42 -0.92 0.00 0.00 175.35 175.27 1xbw s ILE 54 N 0.76 4.71 -0.15 2.17 1.09 -0.32 -0.80 121.20 128.66 1xbw s ILE 54 Ca -0.10 -1.29 -0.11 0.00 -1.10 0.00 0.00 60.65 58.04 1xbw s ILE 54 Cb -0.16 -3.87 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 1xbw s ILE 54 CO 0.01 -0.58 0.23 -0.76 -0.10 0.00 0.00 174.94 173.74 1xbw s LEU 55 N 1.52 4.29 -0.04 2.97 1.43 0.25 -1.75 118.68 127.35 1xbw s LEU 55 Ca 0.04 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1xbw s LEU 55 Cb -0.24 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1xbw s LEU 55 CO 0.04 0.21 -0.12 0.42 0.23 0.00 0.00 176.35 177.13 1xbw s THR 56 N -0.02 1.05 -0.12 5.49 -4.23 -0.57 0.55 115.64 117.79 1xbw s THR 56 Ca 0.15 -0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1xbw s THR 56 Cb -0.13 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1xbw s THR 56 CO 0.03 0.32 0.03 -0.69 -0.54 0.00 0.00 174.62 173.78 1xbw s VAL 57 N 0.27 4.56 0.22 2.29 1.01 0.24 -1.24 120.40 127.75 1xbw s VAL 57 Ca -0.06 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1xbw s VAL 57 Cb -0.11 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1xbw s VAL 57 CO 0.02 0.56 -0.07 0.26 0.00 0.00 0.00 175.10 175.86 1xbw s TRP 58 N -0.45 1.63 0.11 5.22 0.52 0.18 -0.40 118.94 125.75 1xbw s TRP 58 Ca 0.09 -0.74 0.12 0.00 0.02 0.00 0.00 56.10 55.59 1xbw s TRP 58 Cb -0.12 -0.87 0.18 0.00 -1.15 0.00 0.00 33.47 31.51 1xbw s TRP 58 CO 0.02 0.17 1.50 0.87 0.02 0.00 0.00 176.95 179.52 1xbw h LYS 59 N 2.51 0.00 -3.23 4.98 1.57 -0.95 0.26 116.57 121.71 1xbw h LYS 59 Ca -0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1xbw h LYS 59 Cb 1.22 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 1xbw h LYS 59 CO 0.64 0.66 0.07 -1.54 -0.57 0.00 0.00 179.45 178.72 1xbw s SER 60 N -6.63 -0.31 0.47 0.86 1.04 -1.26 -4.15 113.70 103.71 1xbw s SER 60 Ca 0.01 -0.40 0.22 0.00 0.48 0.00 0.00 55.95 56.26 1xbw s SER 60 Cb 0.10 0.59 1.15 0.00 0.10 0.00 0.00 66.02 67.96 1xbw s SER 60 CO 0.76 -1.05 1.97 0.50 0.98 0.00 0.00 173.24 176.40 1xbw h LYS 61 N 2.16 0.00 0.44 4.02 3.64 -1.90 -2.98 116.57 121.94 1xbw h LYS 61 Ca -0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1xbw h LYS 61 Cb 1.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1xbw h LYS 61 CO 0.37 0.20 -0.26 0.37 -2.27 0.00 0.00 179.45 177.86 1xbw h GLN 62 N 0.00 -0.63 -0.34 1.90 5.75 -1.99 -1.06 115.11 118.73 1xbw h GLN 62 Ca -0.00 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1xbw h GLN 62 Cb 0.47 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.09 1xbw h GLN 62 CO 0.03 -0.42 -0.47 0.00 -2.65 0.00 0.00 178.83 175.31 1xbw h ALA 63 N -0.13 -0.59 -0.48 3.38 0.00 -1.86 -0.24 119.26 119.35 1xbw h ALA 63 Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xbw h ALA 63 Cb 0.53 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1xbw h ALA 63 CO 0.06 -0.94 0.08 0.35 0.00 0.00 0.00 179.25 178.80 1xbw h PHE 64 N -0.40 0.13 0.25 0.00 3.57 -1.58 -0.91 116.94 117.99 1xbw h PHE 64 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1xbw h PHE 64 Cb 0.61 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1xbw h PHE 64 CO -0.63 -0.02 -0.28 1.15 -2.23 0.00 0.00 178.31 176.30 1xbw h THR 65 N 0.21 0.40 -0.01 4.41 2.02 -0.40 -1.60 112.91 117.94 1xbw h THR 65 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.45 1xbw h THR 65 Cb 0.32 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1xbw h THR 65 CO -0.32 0.00 -0.28 0.44 0.37 0.00 0.00 175.52 175.73 1xbw h ASP 66 N -0.58 -0.83 -0.74 4.18 3.45 -0.80 -1.45 116.42 119.64 1xbw h ASP 66 Ca -0.00 0.11 0.11 0.00 0.43 0.00 0.00 57.03 57.69 1xbw h ASP 66 Cb 0.55 0.34 -0.13 0.00 -0.56 0.00 0.00 39.33 39.53 1xbw h ASP 66 CO -0.08 -0.34 -0.40 -0.25 -1.57 0.00 0.00 179.24 176.59 1xbw h TRP 67 N -0.42 -1.15 -0.88 4.55 7.01 -0.90 0.39 115.95 124.56 1xbw h TRP 67 Ca 0.07 0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.18 1xbw h TRP 67 Cb 0.51 0.61 -0.05 0.00 -2.10 0.00 0.00 29.16 28.13 1xbw h TRP 67 CO -0.32 -0.40 0.58 -0.07 -2.79 0.00 0.00 178.44 175.44 1xbw h LEU 68 N -0.12 0.98 -6.50 0.65 3.38 -0.77 -3.51 115.31 109.41 1xbw h LEU 68 Ca 0.25 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.60 1xbw h LEU 68 Cb 0.56 -0.23 -0.41 0.00 0.09 0.00 0.00 40.66 40.66 1xbw h LEU 68 CO -0.80 0.69 -0.66 2.29 0.09 0.00 0.00 178.44 180.06 1xbw n LYS 69 N -4.42 1.97 -0.90 1.13 0.00 0.12 -5.12 118.16 110.95 1xbw n LYS 69 Ca 0.11 -4.38 0.00 0.00 -0.00 0.00 0.00 58.31 54.03 1xbw n LYS 69 Cb 0.07 -2.14 0.00 0.00 -0.00 0.00 0.00 35.03 32.96 1xbw n LYS 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xbw n VAL 80 N 1.42 -0.14 -2.79 0.58 0.31 -1.26 -4.92 118.33 111.53 1xbw n VAL 80 Ca 0.26 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.29 1xbw n VAL 80 Cb 0.40 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 1xbw n VAL 80 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xbw s ARG 81 N -1.73 3.71 0.50 5.55 1.81 -1.26 -5.05 118.95 122.48 1xbw s ARG 81 Ca 0.00 0.39 0.05 0.00 -1.72 0.00 0.00 55.73 54.45 1xbw s ARG 81 Cb 0.00 -2.39 0.03 0.00 -0.45 0.00 0.00 34.95 32.14 1xbw s ARG 81 CO 0.00 -0.08 0.69 -1.12 -0.68 0.00 0.00 175.30 174.11 1xbw s SER 82 N -3.42 5.39 0.27 0.23 0.01 -1.26 -4.69 113.70 110.24 1xbw s SER 82 Ca 0.50 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 1xbw s SER 82 Cb -0.10 -0.63 0.42 0.00 0.21 0.00 0.00 66.02 65.93 1xbw s SER 82 CO 0.35 -1.02 1.90 0.11 0.41 0.00 0.00 173.24 174.99 1xbw h LYS 83 N 0.31 1.13 0.00 12.44 1.57 -1.59 -0.36 116.57 130.07 1xbw h LYS 83 Ca -0.40 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xbw h LYS 83 Cb 1.29 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1xbw h LYS 83 CO 0.47 0.75 0.00 0.27 -0.57 0.00 0.00 179.45 180.37 1xbw n ASN 84 N -4.48 0.00 0.04 0.86 0.23 -1.26 -3.00 115.26 107.65 1xbw n ASN 84 Ca 0.14 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1xbw n ASN 84 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1xbw n ASN 84 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xbw n GLU 85 N -0.74 0.00 -3.78 -3.83 1.02 -0.25 -4.98 120.64 108.07 1xbw n GLU 85 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1xbw n GLU 85 Cb 0.00 -0.19 -0.12 0.00 -0.02 0.00 0.00 31.44 31.12 1xbw n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xbw s ASP 86 N -5.25 5.25 0.38 1.62 2.15 -0.56 -4.98 116.67 115.28 1xbw s ASP 86 Ca 0.00 -2.03 0.07 0.00 0.43 0.00 0.00 52.55 51.02 1xbw s ASP 86 Cb 0.00 -1.83 0.36 0.00 -0.30 0.00 0.00 42.92 41.16 1xbw s ASP 86 CO 0.00 -0.54 1.05 -0.08 -0.17 0.00 0.00 175.17 175.43 1xbw h GLU 87 N 8.04 0.00 -0.00 4.34 4.57 -1.80 0.20 114.58 129.92 1xbw h GLU 87 Ca -0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1xbw h GLU 87 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1xbw h GLU 87 CO 0.69 0.00 -0.46 -1.13 -1.18 0.00 0.00 179.01 176.94 1xbw n SER 88 N -2.00 0.87 -4.77 1.04 3.41 -1.26 -4.94 113.62 105.96 1xbw n SER 88 Ca -0.00 -0.67 -0.39 0.00 -0.26 0.00 0.00 58.87 57.54 1xbw n SER 88 Cb 0.60 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.84 1xbw n SER 88 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xbw s SER 89 N -2.77 6.35 0.29 4.04 0.15 0.70 -4.91 113.70 117.54 1xbw s SER 89 Ca 0.16 2.63 0.24 0.00 0.70 0.00 0.00 55.95 59.68 1xbw s SER 89 Cb 0.18 -2.64 0.39 0.00 -1.71 0.00 0.00 66.02 62.24 1xbw s SER 89 CO 0.64 -0.82 1.49 -0.65 1.20 0.00 0.00 173.24 175.10 1xbw h PRO 90 N 2.71 0.00 -6.47 5.44 0.11 -1.90 -3.42 132.00 128.48 1xbw h PRO 90 Ca -0.49 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 1xbw h PRO 90 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1xbw h PRO 90 CO 0.63 0.00 1.07 0.42 -0.21 0.00 0.00 178.00 179.91 1xbw s ILE 91 N -3.21 3.86 -0.00 4.15 1.01 -1.26 -1.49 121.20 124.25 1xbw s ILE 91 Ca 0.06 0.78 -0.20 0.00 0.00 0.00 0.00 60.65 61.30 1xbw s ILE 91 Cb 0.09 -4.41 -0.26 0.00 0.01 0.00 0.00 42.46 37.88 1xbw s ILE 91 CO 0.68 -1.07 1.04 0.40 0.00 0.00 0.00 174.94 175.99 1xbw h ILE 92 N 6.38 1.44 -3.45 2.92 2.04 -0.40 -2.36 117.51 124.07 1xbw h ILE 92 Ca -0.27 -2.25 -0.17 0.00 1.00 0.00 0.00 64.86 63.18 1xbw h ILE 92 Cb 1.09 2.78 -0.23 0.00 -0.74 0.00 0.00 36.82 39.71 1xbw h ILE 92 CO 1.15 0.65 -0.51 0.21 0.00 0.00 0.00 178.15 179.65 1xbw s ASN 93 N -6.88 -0.06 -0.28 1.72 2.47 -1.10 -4.67 114.94 106.13 1xbw s ASN 93 Ca -0.13 0.03 -0.01 0.00 0.42 0.00 0.00 52.86 53.17 1xbw s ASN 93 Cb 0.03 0.26 0.09 0.00 -1.45 0.00 0.00 41.25 40.18 1xbw s ASN 93 CO 0.84 -0.22 0.07 0.21 -3.72 0.00 0.00 177.10 174.27 1xbw s ASN 94 N -0.70 3.82 0.20 -4.21 3.04 -1.26 -1.38 114.94 114.44 1xbw s ASN 94 Ca -0.08 -1.45 0.08 0.00 0.04 0.00 0.00 52.86 51.45 1xbw s ASN 94 Cb -0.05 -0.86 -0.04 0.00 -1.54 0.00 0.00 41.25 38.76 1xbw s ASN 94 CO 0.01 -0.38 -0.03 -0.75 -3.04 0.00 0.00 177.10 172.92 1xbw s LYS 95 N 1.63 2.29 -0.13 0.43 2.20 -0.38 -4.98 119.74 120.80 1xbw s LYS 95 Ca 0.06 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 54.46 1xbw s LYS 95 Cb -0.17 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1xbw s LYS 95 CO -0.20 0.43 -0.14 0.08 -0.36 0.00 0.00 175.35 175.16 1xbw s VAL 96 N -1.85 1.54 -0.01 4.02 1.01 -1.26 -0.53 120.40 123.32 1xbw s VAL 96 Ca 0.28 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xbw s VAL 96 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1xbw s VAL 96 CO 0.18 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.88 1xbw s ILE 97 N 1.34 2.44 0.07 2.22 1.09 0.70 -4.95 121.20 124.10 1xbw s ILE 97 Ca 0.01 -1.07 0.10 0.00 -1.10 0.00 0.00 60.65 58.59 1xbw s ILE 97 Cb -0.13 -1.92 -0.03 0.00 -1.06 0.00 0.00 42.46 39.31 1xbw s ILE 97 CO -0.08 0.51 -0.26 0.42 -0.10 0.00 0.00 174.94 175.43 1xbw s THR 98 N -0.72 2.17 0.04 2.92 -4.23 -1.26 0.41 115.64 114.97 1xbw s THR 98 Ca 0.11 -1.51 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1xbw s THR 98 Cb -0.10 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1xbw s THR 98 CO 0.01 0.27 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.01 1xbw s TYR 99 N -0.89 0.48 -0.17 3.99 1.51 0.71 -5.00 117.35 117.97 1xbw s TYR 99 Ca 0.12 -0.80 -0.12 0.00 -1.01 0.00 0.00 57.07 55.26 1xbw s TYR 99 Cb -0.10 -0.33 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 1xbw s TYR 99 CO 0.03 -0.26 0.21 -0.51 -1.11 0.00 0.00 175.55 173.91 1xbw s ASP 100 N -2.28 6.33 -0.58 2.29 1.01 -1.26 -1.10 116.67 121.08 1xbw s ASP 100 Ca -0.02 0.38 -0.20 0.00 0.71 0.00 0.00 52.55 53.42 1xbw s ASP 100 Cb -0.01 -2.13 0.09 0.00 1.01 0.00 0.00 42.92 41.88 1xbw s ASP 100 CO -0.05 0.16 0.73 -0.63 0.21 0.00 0.00 175.17 175.59 1xbw s ILE 101 N 0.27 4.76 0.27 0.77 1.01 -0.31 -4.89 121.20 123.09 1xbw s ILE 101 Ca 0.12 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.12 1xbw s ILE 101 Cb -0.12 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 1xbw s ILE 101 CO 0.01 -1.10 1.61 1.23 0.00 0.00 0.00 174.94 176.70 1xbw h GLY 102 N 10.12 0.00 -4.47 6.18 0.00 -1.92 -3.43 103.07 109.54 1xbw h GLY 102 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1xbw h GLY 102 CO 1.08 0.00 -0.14 -0.47 0.00 0.00 0.00 176.54 177.01 1xbw s TYR 103 N -3.61 -0.34 -0.08 5.60 5.04 -1.26 -5.16 117.35 117.54 1xbw s TYR 103 Ca -0.01 0.61 -0.27 0.00 -2.44 0.00 0.00 57.07 54.96 1xbw s TYR 103 Cb 0.13 0.19 0.06 0.00 0.35 0.00 0.00 41.96 42.68 1xbw s TYR 103 CO 0.76 -0.43 0.62 -1.54 -1.34 0.00 0.00 175.55 173.62 1xbw s SER 104 N -1.09 -0.59 -0.14 4.32 1.04 -1.26 -5.13 113.70 110.85 1xbw s SER 104 Ca -0.11 0.73 -0.09 0.00 0.48 0.00 0.00 55.95 56.96 1xbw s SER 104 Cb -0.04 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1xbw s SER 104 CO 0.05 -0.52 0.33 -0.47 0.98 0.00 0.00 173.24 173.62 1xbw s TYR 105 N -0.94 -0.45 -0.01 5.02 6.14 -1.26 -5.16 117.35 120.70 1xbw s TYR 105 Ca -0.09 1.01 0.08 0.00 0.64 0.00 0.00 57.07 58.70 1xbw s TYR 105 Cb -0.02 0.15 -0.02 0.00 0.42 0.00 0.00 41.96 42.50 1xbw s TYR 105 CO 0.07 -0.26 -0.25 1.41 0.64 0.00 0.00 175.55 177.17 1xbw s MET 106 N 1.02 1.94 0.00 4.97 1.75 -1.26 -5.30 119.30 122.42 1xbw s MET 106 Ca -0.07 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 53.46 1xbw s MET 106 Cb -0.07 -1.91 0.00 0.00 2.84 0.00 0.00 34.83 35.69 1xbw s MET 106 CO -0.08 0.52 0.00 1.63 -0.65 0.00 0.00 175.02 176.44