#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx n SER 2 N 0.00 -4.99 -4.49 1.61 7.64 -1.26 -4.97 113.62 107.16 1ukx n SER 2 Ca 0.00 0.23 -0.31 0.00 1.01 0.00 0.00 58.87 59.80 1ukx n SER 2 Cb 0.00 -4.31 -0.12 0.00 -1.01 0.00 0.00 64.21 58.77 1ukx n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ukx s SER 3 N -2.26 4.02 -0.04 6.43 1.04 -1.26 -5.09 113.70 116.54 1ukx s SER 3 Ca 0.00 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.98 1ukx s SER 3 Cb 0.00 -0.75 0.04 0.00 0.10 0.00 0.00 66.02 65.41 1ukx s SER 3 CO 0.00 0.27 0.56 0.61 0.98 0.00 0.00 173.24 175.66 1ukx n GLY 4 N 1.65 0.28 3.51 7.32 0.00 -1.26 -5.17 105.19 111.52 1ukx n GLY 4 Ca -0.16 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1ukx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 5 N -0.42 -1.07 -4.57 1.61 7.64 -1.26 -4.88 113.62 110.68 1ukx n SER 5 Ca 0.03 0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 1ukx n SER 5 Cb 0.24 -1.30 -0.05 0.00 -1.01 0.00 0.00 64.21 62.09 1ukx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ukx s SER 6 N -2.32 5.42 -0.25 6.43 0.01 -1.26 -4.93 113.70 116.81 1ukx s SER 6 Ca 0.63 -1.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.23 1ukx s SER 6 Cb -0.22 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 1ukx s SER 6 CO 0.63 -2.59 2.21 0.61 0.41 0.00 0.00 173.24 174.51 1ukx n GLY 7 N 6.27 0.91 2.43 3.44 0.00 -1.26 -4.91 105.19 112.08 1ukx n GLY 7 Ca 0.42 0.82 -0.26 0.00 0.00 0.00 0.00 46.02 47.00 1ukx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ukx n MET 8 N 8.58 1.03 0.00 1.61 0.00 -1.26 -5.08 117.12 121.99 1ukx n MET 8 Ca 0.33 -3.68 0.00 0.00 0.00 0.00 0.00 57.70 54.35 1ukx n MET 8 Cb 0.39 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1ukx n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1ukx n GLU 9 N 1.94 1.90 -3.84 0.03 4.71 -1.26 -5.16 120.64 118.97 1ukx n GLU 9 Ca 0.25 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.31 1ukx n GLU 9 Cb 0.46 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.84 1ukx n GLU 9 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1ukx s SER 10 N -1.00 -0.12 0.18 1.62 0.01 -1.26 -5.04 113.70 108.10 1ukx s SER 10 Ca 0.00 -0.65 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 1ukx s SER 10 Cb 0.00 0.51 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1ukx s SER 10 CO 0.00 -0.97 1.81 1.88 0.41 0.00 0.00 173.24 176.37 1ukx h TYR 11 N 2.37 0.83 0.00 2.43 0.05 -1.87 -1.50 116.97 119.27 1ukx h TYR 11 Ca -0.30 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.44 1ukx h TYR 11 Cb 1.25 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1ukx h TYR 11 CO 0.37 0.58 -0.12 0.66 -1.05 0.00 0.00 178.16 178.61 1ukx h SER 12 N 0.84 0.00 0.45 3.88 4.64 -1.88 -0.34 113.55 121.13 1ukx h SER 12 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1ukx h SER 12 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ukx h SER 12 CO -0.04 0.12 -0.22 1.56 -0.87 0.00 0.00 176.83 177.38 1ukx h GLN 13 N 0.00 -0.58 -0.94 4.77 4.20 -1.71 -0.82 115.11 120.03 1ukx h GLN 13 Ca -0.00 0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.92 1ukx h GLN 13 Cb 0.24 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.07 1ukx h GLN 13 CO 0.02 -0.27 0.60 0.00 -0.67 0.00 0.00 178.83 178.50 1ukx h ARG 14 N -0.96 0.63 0.47 1.46 3.08 -0.97 -0.19 114.38 117.91 1ukx h ARG 14 Ca -0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1ukx h ARG 14 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ukx h ARG 14 CO 0.10 0.42 -0.23 1.96 -1.07 0.00 0.00 179.97 181.15 1ukx h GLN 15 N 0.65 -0.61 0.00 0.04 4.20 -1.04 -3.23 115.11 115.11 1ukx h GLN 15 Ca 0.50 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.25 1ukx h GLN 15 Cb 0.89 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1ukx h GLN 15 CO -0.25 -0.31 -0.01 0.22 -0.67 0.00 0.00 178.83 177.81 1ukx h ASP 16 N -1.02 0.00 -0.16 1.46 1.82 -0.71 -1.52 116.42 116.29 1ukx h ASP 16 Ca -0.06 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1ukx h ASP 16 Cb 0.58 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 1ukx h ASP 16 CO 0.11 0.01 0.03 -0.74 -1.61 0.00 0.00 179.24 177.04 1ukx h HIS 17 N 0.00 0.06 -0.23 0.28 2.76 -1.07 -1.31 115.15 115.65 1ukx h HIS 17 Ca -0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1ukx h HIS 17 Cb 0.32 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1ukx h HIS 17 CO 0.00 0.02 0.03 1.49 -1.30 0.00 0.00 177.93 178.17 1ukx h GLU 18 N 0.10 0.39 -0.39 5.26 4.81 -1.32 -2.75 114.58 120.68 1ukx h GLU 18 Ca 0.07 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1ukx h GLU 18 Cb 0.06 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 1ukx h GLU 18 CO -0.09 0.54 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.38 1ukx h LEU 19 N 0.18 -0.92 -1.02 1.64 4.07 -1.36 0.54 115.31 118.44 1ukx h LEU 19 Ca 0.07 0.18 0.04 0.00 0.08 0.00 0.00 57.88 58.25 1ukx h LEU 19 Cb 0.34 0.45 -0.06 0.00 1.08 0.00 0.00 40.66 42.48 1ukx h LEU 19 CO 0.01 -0.29 0.65 1.56 -1.08 0.00 0.00 178.44 179.29 1ukx h GLN 20 N -0.21 1.21 -0.32 1.13 4.20 -1.18 -1.50 115.11 118.44 1ukx h GLN 20 Ca 0.18 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1ukx h GLN 20 Cb 0.50 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1ukx h GLN 20 CO -0.51 0.80 -0.23 0.00 -0.67 0.00 0.00 178.83 178.22 1ukx h ALA 21 N 1.43 1.00 -0.18 3.87 0.00 -0.97 -2.80 119.26 121.61 1ukx h ALA 21 Ca 0.40 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ukx h ALA 21 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ukx h ALA 21 CO -0.13 0.59 -0.22 -0.07 0.00 0.00 0.00 179.25 179.43 1ukx h LEU 22 N 0.55 0.32 -1.22 0.00 3.38 -0.02 -1.94 115.31 116.38 1ukx h LEU 22 Ca 0.08 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ukx h LEU 22 Cb 0.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ukx h LEU 22 CO 0.05 0.55 -0.36 -0.08 0.09 0.00 0.00 178.44 178.69 1ukx h GLU 23 N 0.29 0.06 0.13 1.13 4.81 -1.04 -1.02 114.58 118.95 1ukx h GLU 23 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1ukx h GLU 23 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ukx h GLU 23 CO 0.04 0.41 -0.06 0.00 -0.73 0.00 0.00 179.01 178.67 1ukx h ALA 24 N 1.59 -0.18 0.38 2.92 0.00 -1.41 -2.49 119.26 120.08 1ukx h ALA 24 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ukx h ALA 24 Cb 0.66 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ukx h ALA 24 CO 0.05 -0.24 -0.21 0.82 0.00 0.00 0.00 179.25 179.67 1ukx h ILE 25 N -0.89 0.56 0.02 0.00 1.08 -1.11 -3.33 117.51 113.83 1ukx h ILE 25 Ca -0.02 0.00 -0.39 0.00 -0.39 0.00 0.00 64.86 64.06 1ukx h ILE 25 Cb 0.53 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.78 1ukx h ILE 25 CO 0.03 0.00 -2.23 -1.22 -0.69 0.00 0.00 178.15 174.04 1ukx n TYR 26 N -5.34 0.35 0.00 1.37 4.01 -0.41 -5.02 117.16 112.12 1ukx n TYR 26 Ca -0.11 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1ukx n TYR 26 Cb 0.25 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 1ukx n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukx n GLY 27 N 1.64 2.29 0.00 2.72 0.00 -0.94 -4.07 105.19 106.83 1ukx n GLY 27 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ukx n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 28 N 5.00 0.44 0.03 1.61 7.64 -1.26 -4.18 113.62 122.90 1ukx n SER 28 Ca 0.00 -0.72 0.02 0.00 1.01 0.00 0.00 58.87 59.18 1ukx n SER 28 Cb 0.00 0.45 0.38 0.00 -1.01 0.00 0.00 64.21 64.04 1ukx n SER 28 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ukx h ASP 29 N 0.00 0.42 -3.70 6.43 5.19 -1.91 -3.41 116.42 119.44 1ukx h ASP 29 Ca 0.00 -0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 55.86 1ukx h ASP 29 Cb 0.02 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1ukx h ASP 29 CO 0.00 0.41 0.44 0.12 -3.12 0.00 0.00 179.24 177.09 1ukx s PHE 30 N -5.17 3.70 -0.03 4.55 5.36 -1.26 -1.17 117.98 123.96 1ukx s PHE 30 Ca -0.07 1.73 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1ukx s PHE 30 Cb 0.16 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.67 1ukx s PHE 30 CO 0.74 -0.26 -0.02 -1.14 -1.46 0.00 0.00 175.22 173.08 1ukx s GLN 31 N -0.97 0.46 0.57 10.12 0.74 -0.19 -4.86 119.66 125.54 1ukx s GLN 31 Ca 0.45 -0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.67 1ukx s GLN 31 Cb -0.29 -0.54 -0.05 0.00 1.10 0.00 0.00 33.01 33.23 1ukx s GLN 31 CO 0.36 -0.07 1.04 0.16 -0.55 0.00 0.00 175.29 176.23 1ukx s ASP 32 N 0.73 6.02 -0.02 6.67 1.47 -1.26 -0.25 116.67 130.03 1ukx s ASP 32 Ca -0.08 1.76 0.03 0.00 1.18 0.00 0.00 52.55 55.44 1ukx s ASP 32 Cb -0.11 -2.53 0.05 0.00 -0.34 0.00 0.00 42.92 39.99 1ukx s ASP 32 CO -0.01 -1.00 0.87 0.18 0.68 0.00 0.00 175.17 175.89 1ukx n LEU 33 N -1.87 1.11 -4.75 2.11 4.77 -0.04 -4.89 117.00 113.44 1ukx n LEU 33 Ca 0.08 -1.41 -0.41 0.00 -0.03 0.00 0.00 56.01 54.24 1ukx n LEU 33 Cb 0.53 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1ukx n LEU 33 CO 0.47 0.34 1.12 -0.13 -1.33 0.00 0.00 177.39 177.86 1ukx s ARG 34 N -0.87 4.24 0.00 3.23 0.52 -1.24 -4.85 118.95 119.97 1ukx s ARG 34 Ca 0.06 2.37 0.07 0.00 -0.52 0.00 0.00 55.73 57.71 1ukx s ARG 34 Cb 0.05 -3.07 0.42 0.00 0.52 0.00 0.00 34.95 32.87 1ukx s ARG 34 CO 0.01 -0.44 1.27 -0.35 0.02 0.00 0.00 175.30 175.80 1ukx n PRO 35 N 1.92 0.99 -1.83 3.54 -0.04 -1.26 -4.95 135.00 133.38 1ukx n PRO 35 Ca 0.06 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1ukx n PRO 35 Cb 0.40 -1.11 0.03 0.00 -0.04 0.00 0.00 33.50 32.78 1ukx n PRO 35 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ukx s ASP 36 N -1.23 5.48 0.06 3.54 2.15 -1.26 -5.06 116.67 120.35 1ukx s ASP 36 Ca 0.11 2.75 -0.00 0.00 0.43 0.00 0.00 52.55 55.84 1ukx s ASP 36 Cb 0.05 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1ukx s ASP 36 CO 0.08 -1.43 -0.04 0.00 -0.17 0.00 0.00 175.17 173.62 1ukx s ALA 37 N -1.30 0.56 0.01 3.66 0.00 -1.26 -5.10 121.76 118.33 1ukx s ALA 37 Ca 0.69 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1ukx s ALA 37 Cb -0.40 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 1ukx s ALA 37 CO 0.48 -0.33 1.42 0.50 0.00 0.00 0.00 175.76 177.83 1ukx s ARG 38 N -3.73 4.28 -0.13 0.00 3.00 -1.26 -2.83 118.95 118.28 1ukx s ARG 38 Ca 0.06 2.00 -0.00 0.00 -1.00 0.00 0.00 55.73 56.78 1ukx s ARG 38 Cb 0.06 -3.55 -0.01 0.00 0.00 0.00 0.00 34.95 31.46 1ukx s ARG 38 CO -0.08 -0.57 0.11 0.41 0.00 0.00 0.00 175.30 175.16 1ukx n GLY 39 N 3.65 0.57 3.29 8.12 0.00 -1.26 -5.11 105.19 114.46 1ukx n GLY 39 Ca 0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1ukx n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ukx s ARG 40 N -3.50 1.34 0.78 1.61 3.52 -1.13 -5.15 118.95 116.42 1ukx s ARG 40 Ca 0.04 -1.60 -0.14 0.00 -0.13 0.00 0.00 55.73 53.90 1ukx s ARG 40 Cb -0.00 0.32 0.07 0.00 -1.56 0.00 0.00 34.95 33.77 1ukx s ARG 40 CO 0.09 -0.47 1.20 1.33 -0.81 0.00 0.00 175.30 176.64 1ukx n VAL 41 N -0.33 2.47 -2.13 7.11 0.24 -1.26 -4.96 118.33 119.47 1ukx n VAL 41 Ca 0.02 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.68 1ukx n VAL 41 Cb 0.65 -1.23 -0.01 0.00 -1.47 0.00 0.00 33.84 31.78 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1ukx s ARG 42 N -3.98 3.91 0.16 7.34 3.00 -1.26 -4.84 118.95 123.29 1ukx s ARG 42 Ca 0.75 2.02 -0.04 0.00 -1.00 0.00 0.00 55.73 57.46 1ukx s ARG 42 Cb -0.31 -2.66 -0.03 0.00 0.00 0.00 0.00 34.95 31.95 1ukx s ARG 42 CO 0.49 -0.49 0.16 -1.21 0.00 0.00 0.00 175.30 174.25 1ukx s GLU 43 N -2.35 1.08 0.18 5.12 2.02 -1.26 -5.13 118.70 118.35 1ukx s GLU 43 Ca 0.59 -1.38 -0.33 0.00 0.02 0.00 0.00 54.97 53.87 1ukx s GLU 43 Cb -0.35 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.06 1ukx s GLU 43 CO 0.44 -0.35 1.68 -2.30 0.02 0.00 0.00 175.26 174.75 1ukx n PRO 44 N -0.18 2.52 -2.02 0.39 -0.02 -1.26 -4.88 135.00 129.55 1ukx n PRO 44 Ca -0.05 0.91 -0.27 0.00 -2.02 0.00 0.00 63.50 62.08 1ukx n PRO 44 Cb 0.64 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1ukx n PRO 44 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ukx s PRO 45 N 1.25 2.36 0.08 0.52 0.04 -1.04 -4.85 135.00 133.38 1ukx s PRO 45 Ca 0.77 -1.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.45 1ukx s PRO 45 Cb -0.57 -5.21 -0.06 0.00 0.04 0.00 0.00 34.50 28.70 1ukx s PRO 45 CO 0.35 -4.12 1.17 -2.00 0.04 0.00 0.00 177.00 172.44 1ukx s GLU 46 N 6.69 4.47 0.22 4.56 2.12 -1.26 -4.38 118.70 131.13 1ukx s GLU 46 Ca 0.70 1.74 0.02 0.00 0.36 0.00 0.00 54.97 57.79 1ukx s GLU 46 Cb -0.01 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1ukx s GLU 46 CO 0.13 -0.18 0.04 0.96 -0.54 0.00 0.00 175.26 175.67 1ukx s ILE 47 N 0.77 0.73 -0.05 -3.70 -5.25 -0.48 -0.86 121.20 112.36 1ukx s ILE 47 Ca 0.56 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 58.24 1ukx s ILE 47 Cb -0.29 -2.38 0.02 0.00 2.95 0.00 0.00 42.46 42.75 1ukx s ILE 47 CO 0.30 -0.25 -0.09 0.21 -1.79 0.00 0.00 174.94 173.33 1ukx s ASN 48 N -3.26 1.35 -0.19 4.36 2.47 0.66 -2.73 114.94 117.59 1ukx s ASN 48 Ca 0.30 -0.21 -0.00 0.00 0.42 0.00 0.00 52.86 53.37 1ukx s ASN 48 Cb 0.07 -0.63 0.05 0.00 -1.45 0.00 0.00 41.25 39.29 1ukx s ASN 48 CO 0.09 -0.00 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.64 1ukx s LEU 49 N 0.74 1.90 0.05 3.21 1.43 -0.19 -1.02 118.68 124.80 1ukx s LEU 49 Ca -0.13 -0.80 -0.31 0.00 -1.03 0.00 0.00 54.13 51.86 1ukx s LEU 49 Cb -0.15 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 1ukx s LEU 49 CO 0.02 -0.19 1.31 -0.69 0.23 0.00 0.00 176.35 177.03 1ukx s VAL 50 N 1.55 3.76 0.03 -1.59 1.01 -0.32 -0.48 120.40 124.36 1ukx s VAL 50 Ca -0.01 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1ukx s VAL 50 Cb -0.16 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1ukx s VAL 50 CO -0.08 0.06 -0.07 -0.76 0.00 0.00 0.00 175.10 174.25 1ukx s LEU 51 N 1.57 2.20 0.18 3.92 1.43 -1.06 -4.87 118.68 122.05 1ukx s LEU 51 Ca 0.61 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1ukx s LEU 51 Cb -0.32 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1ukx s LEU 51 CO 0.28 -0.15 0.08 -0.31 0.23 0.00 0.00 176.35 176.48 1ukx s TYR 52 N -1.10 1.12 -0.28 0.29 2.02 -1.26 -2.92 117.35 115.21 1ukx s TYR 52 Ca -0.08 -1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 55.08 1ukx s TYR 52 Cb -0.08 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1ukx s TYR 52 CO 0.00 -0.50 1.11 -1.25 -1.57 0.00 0.00 175.55 173.34 1ukx s PRO 53 N -4.07 4.11 0.41 -1.71 0.04 -1.26 -4.35 135.00 128.17 1ukx s PRO 53 Ca 0.32 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 1ukx s PRO 53 Cb 0.07 -3.73 -0.12 0.00 0.04 0.00 0.00 34.50 30.76 1ukx s PRO 53 CO 0.08 -0.84 0.73 0.94 0.04 0.00 0.00 177.00 177.94 1ukx n GLN 54 N 6.76 0.85 0.00 4.56 7.27 -1.26 -3.83 117.38 131.74 1ukx n GLN 54 Ca 0.12 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1ukx n GLN 54 Cb 0.47 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.42 1ukx n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ukx n GLY 55 N 1.56 2.92 0.22 1.69 0.00 -1.26 -4.83 105.19 105.49 1ukx n GLY 55 Ca 0.11 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1ukx n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 56 N 0.00 0.00 0.00 0.99 3.38 -1.87 -3.45 115.31 114.35 1ukx h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ukx h LEU 56 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ukx h LEU 56 CO 0.00 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1ukx n ALA 57 N -2.37 0.00 -1.59 1.53 0.00 -1.26 -4.37 120.51 112.45 1ukx n ALA 57 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1ukx n ALA 57 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N 0.00 2.76 0.00 0.00 0.00 -1.26 -4.63 105.19 102.06 1ukx n GLY 58 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1ukx n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ukx n GLU 59 N 7.14 0.00 0.06 1.61 0.00 -1.26 -5.09 120.64 123.10 1ukx n GLU 59 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.63 1ukx n GLU 59 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.84 1ukx n GLU 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ukx h GLU 60 N 0.00 -0.16 -2.70 5.31 5.08 -1.85 -3.49 114.58 116.76 1ukx h GLU 60 Ca 0.00 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.66 1ukx h GLU 60 Cb 0.00 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.16 1ukx h GLU 60 CO 0.00 -0.11 -0.84 0.28 -1.00 0.00 0.00 179.01 177.34 1ukx n VAL 61 N -2.60 -0.31 0.00 3.13 0.31 -1.26 -5.04 118.33 112.56 1ukx n VAL 61 Ca -0.02 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 1ukx n VAL 61 Cb 0.07 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ukx n TYR 62 N -3.90 0.00 -2.94 3.52 4.02 -1.26 -5.06 117.16 111.55 1ukx n TYR 62 Ca -0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.51 1ukx n TYR 62 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 1ukx n TYR 62 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ukx s VAL 63 N 0.00 4.52 0.20 -0.72 -7.23 -1.26 -3.66 120.40 112.25 1ukx s VAL 63 Ca 0.00 1.24 -0.20 0.00 -1.81 0.00 0.00 61.98 61.20 1ukx s VAL 63 Cb 0.00 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.37 1ukx s VAL 63 CO 0.00 -0.28 0.60 0.00 -0.31 0.00 0.00 175.10 175.10 1ukx s GLN 64 N -3.14 1.43 0.02 4.82 -2.07 -1.08 -4.28 119.66 115.35 1ukx s GLN 64 Ca 0.58 -0.74 -0.12 0.00 -1.82 0.00 0.00 55.36 53.27 1ukx s GLN 64 Cb -0.10 0.57 0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1ukx s GLN 64 CO 0.16 -0.63 0.25 0.54 -1.32 0.00 0.00 175.29 174.30 1ukx s VAL 65 N -3.83 0.08 0.27 3.63 0.11 -1.15 -1.08 120.40 118.43 1ukx s VAL 65 Ca 0.06 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.18 1ukx s VAL 65 Cb -0.02 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.96 1ukx s VAL 65 CO -0.05 -0.38 0.87 -1.61 -3.33 0.00 0.00 175.10 170.61 1ukx s GLU 66 N -2.06 4.54 -0.30 1.54 2.02 -0.61 -2.56 118.70 121.27 1ukx s GLU 66 Ca -0.09 1.23 -0.12 0.00 0.02 0.00 0.00 54.97 56.01 1ukx s GLU 66 Cb -0.03 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1ukx s GLU 66 CO -0.01 0.37 0.22 -1.17 0.02 0.00 0.00 175.26 174.70 1ukx s LEU 67 N -1.81 4.19 -0.13 1.80 0.20 0.37 -2.08 118.68 121.22 1ukx s LEU 67 Ca 0.46 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 55.12 1ukx s LEU 67 Cb -0.20 -2.15 -0.02 0.00 -0.43 0.00 0.00 46.19 43.39 1ukx s LEU 67 CO 0.25 -0.12 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.99 1ukx s ARG 68 N 1.77 3.46 -0.11 1.98 1.81 0.58 -1.03 118.95 127.41 1ukx s ARG 68 Ca 0.07 -0.56 -0.09 0.00 -1.72 0.00 0.00 55.73 53.43 1ukx s ARG 68 Cb -0.16 -2.80 0.03 0.00 -0.45 0.00 0.00 34.95 31.57 1ukx s ARG 68 CO 0.11 0.31 0.29 0.08 -0.68 0.00 0.00 175.30 175.41 1ukx s VAL 69 N 0.16 -0.01 -0.10 3.52 1.01 -1.11 -1.03 120.40 122.84 1ukx s VAL 69 Ca -0.03 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1ukx s VAL 69 Cb -0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 36.38 35.68 1ukx s VAL 69 CO 0.03 0.01 0.05 2.29 0.00 0.00 0.00 175.10 177.48 1ukx n LYS 70 N 3.17 2.08 -1.69 2.72 2.85 -1.26 -1.38 118.16 124.65 1ukx n LYS 70 Ca -0.15 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1ukx n LYS 70 Cb 0.57 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ukx s PRO 72 N -3.45 1.06 0.00 0.00 0.04 -1.26 -4.70 135.00 126.69 1ukx s PRO 72 Ca 0.00 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.09 1ukx s PRO 72 Cb 0.00 -1.78 0.65 0.00 0.04 0.00 0.00 34.50 33.41 1ukx s PRO 72 CO 0.00 -2.41 1.12 -0.35 0.04 0.00 0.00 177.00 175.40 1ukx n PRO 73 N -4.01 0.58 0.00 0.56 -0.04 -1.26 -2.35 135.00 128.47 1ukx n PRO 73 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1ukx n PRO 73 Cb 0.55 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1ukx n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ukx n THR 74 N -0.79 0.00 -1.62 0.52 -2.24 -1.26 -4.76 114.28 104.13 1ukx n THR 74 Ca 0.08 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1ukx n THR 74 Cb 0.04 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1ukx n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukx n TYR 75 N -0.33 1.39 0.60 4.78 4.19 -0.99 -0.80 117.16 125.99 1ukx n TYR 75 Ca 0.00 0.59 0.05 0.00 3.31 0.00 0.00 57.90 61.85 1ukx n TYR 75 Cb 0.03 -2.27 0.17 0.00 0.49 0.00 0.00 39.34 37.76 1ukx n TYR 75 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ukx n PRO 76 N 0.35 2.20 0.19 2.98 -0.04 -1.26 -4.76 135.00 134.65 1ukx n PRO 76 Ca 0.09 -1.33 0.16 0.00 -0.04 0.00 0.00 63.50 62.38 1ukx n PRO 76 Cb 0.37 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.12 1ukx n PRO 76 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ukx h ASP 77 N 1.95 0.00 -4.85 3.54 3.58 -1.29 -3.06 116.42 116.29 1ukx h ASP 77 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1ukx h ASP 77 Cb 0.75 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.65 1ukx h ASP 77 CO 0.09 0.00 -0.61 0.54 -2.88 0.00 0.00 179.24 176.38 1ukx s VAL 78 N -4.75 0.37 0.41 2.25 0.11 -1.25 -4.82 120.40 112.71 1ukx s VAL 78 Ca -0.05 -2.00 -0.25 0.00 -2.93 0.00 0.00 61.98 56.75 1ukx s VAL 78 Cb 0.16 -2.58 -0.08 0.00 -1.53 0.00 0.00 36.38 32.34 1ukx s VAL 78 CO 0.59 0.00 1.23 0.68 -3.33 0.00 0.00 175.10 174.27 1ukx s VAL 79 N -3.86 2.88 0.77 2.04 -7.23 -1.26 -4.32 120.40 109.42 1ukx s VAL 79 Ca 0.38 0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 61.20 1ukx s VAL 79 Cb 0.07 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.63 1ukx s VAL 79 CO 0.14 0.09 1.10 -2.16 -0.31 0.00 0.00 175.10 173.95 1ukx s PRO 80 N -2.29 2.34 0.70 4.82 0.04 -1.26 -4.67 135.00 134.69 1ukx s PRO 80 Ca 0.57 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.04 1ukx s PRO 80 Cb -0.34 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1ukx s PRO 80 CO 0.43 -1.42 1.09 -1.21 0.04 0.00 0.00 177.00 175.93 1ukx s GLU 81 N -5.25 2.93 -0.09 4.56 0.41 -1.26 -5.01 118.70 114.99 1ukx s GLU 81 Ca 0.60 0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 55.64 1ukx s GLU 81 Cb -0.13 -2.02 0.05 0.00 -1.78 0.00 0.00 34.13 30.24 1ukx s GLU 81 CO 0.53 -0.99 0.18 0.42 -0.49 0.00 0.00 175.26 174.90 1ukx s ILE 82 N -3.32 -0.20 0.00 -1.63 1.01 -1.26 -4.51 121.20 111.29 1ukx s ILE 82 Ca 0.58 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1ukx s ILE 82 Cb -0.11 -0.30 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 1ukx s ILE 82 CO 0.52 0.12 -0.05 -0.62 0.00 0.00 0.00 174.94 174.91 1ukx s ASP 83 N 1.90 0.56 -0.30 3.58 -1.08 -0.20 -5.01 116.67 116.12 1ukx s ASP 83 Ca -0.02 -0.17 0.02 0.00 -0.52 0.00 0.00 52.55 51.87 1ukx s ASP 83 Cb -0.12 -0.04 0.08 0.00 -1.46 0.00 0.00 42.92 41.39 1ukx s ASP 83 CO -0.06 0.00 0.01 -0.76 0.52 0.00 0.00 175.17 174.88 1ukx s LEU 84 N -0.38 3.69 0.35 -1.34 1.02 -1.26 -0.31 118.68 120.45 1ukx s LEU 84 Ca -0.01 -1.74 0.09 0.00 0.02 0.00 0.00 54.13 52.49 1ukx s LEU 84 Cb -0.03 -1.41 -0.06 0.00 0.02 0.00 0.00 46.19 44.72 1ukx s LEU 84 CO -0.00 -0.32 0.02 -0.54 0.02 0.00 0.00 176.35 175.53 1ukx s LYS 85 N 1.15 2.07 -1.40 1.70 -0.14 -0.88 -4.70 119.74 117.54 1ukx s LYS 85 Ca 0.04 -1.78 -0.11 0.00 -1.36 0.00 0.00 55.97 52.76 1ukx s LYS 85 Cb -0.19 -1.91 0.08 0.00 -1.68 0.00 0.00 37.83 34.13 1ukx s LYS 85 CO -0.10 0.11 0.62 0.09 -0.76 0.00 0.00 175.35 175.32 1ukx n ASN 86 N -0.97 -4.16 -4.74 2.83 3.02 -1.26 -1.57 115.26 108.40 1ukx n ASN 86 Ca -0.04 -0.51 -0.38 0.00 -0.03 0.00 0.00 54.58 53.62 1ukx n ASN 86 Cb 0.63 -3.40 0.05 0.00 -0.61 0.00 0.00 39.78 36.45 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx s ALA 87 N -3.06 2.67 0.14 5.41 0.00 -1.26 -4.59 121.76 121.08 1ukx s ALA 87 Ca 0.47 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.82 1ukx s ALA 87 Cb -0.24 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1ukx s ALA 87 CO 0.58 -1.46 -0.19 0.15 0.00 0.00 0.00 175.76 174.85 1ukx s LYS 88 N -3.07 1.22 0.00 0.00 1.02 -0.24 -4.82 119.74 113.85 1ukx s LYS 88 Ca 0.75 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1ukx s LYS 88 Cb -0.40 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1ukx s LYS 88 CO 0.45 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 1ukx n GLY 89 N 0.56 0.87 3.58 -3.33 0.00 -1.24 -2.64 105.19 103.00 1ukx n GLY 89 Ca -0.15 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1ukx n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukx s LEU 90 N 0.00 3.43 -0.00 0.99 1.43 -1.26 -4.89 118.68 118.38 1ukx s LEU 90 Ca 0.00 0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 53.97 1ukx s LEU 90 Cb 0.00 -3.14 -0.25 0.00 0.03 0.00 0.00 46.19 42.83 1ukx s LEU 90 CO 0.00 -1.96 3.52 -0.24 0.23 0.00 0.00 176.35 177.90 1ukx n SER 91 N 11.21 5.26 -1.43 2.29 2.88 -1.26 -4.35 113.62 128.22 1ukx n SER 91 Ca 0.22 -2.48 -0.17 0.00 -1.33 0.00 0.00 58.87 55.10 1ukx n SER 91 Cb 0.49 -1.40 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukx n ASN 92 N 2.42 -5.08 0.00 -3.46 3.02 -1.26 -4.97 115.26 105.94 1ukx n ASN 92 Ca 0.40 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 1ukx n ASN 92 Cb 0.89 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1ukx n ASN 92 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ukx n GLU 93 N -2.53 0.00 0.00 3.52 2.13 -1.26 -4.29 120.64 118.22 1ukx n GLU 93 Ca -0.18 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.73 1ukx n GLU 93 Cb 0.58 0.00 0.49 0.00 0.27 0.00 0.00 31.44 32.78 1ukx n GLU 93 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ukx n SER 94 N 0.00 0.00 -0.11 4.31 3.41 -1.26 -1.04 113.62 118.93 1ukx n SER 94 Ca 0.00 -0.35 -0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1ukx n SER 94 Cb 0.00 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ukx h VAL 95 N 0.00 0.64 -0.57 -3.33 2.07 -1.89 -1.37 116.25 111.81 1ukx h VAL 95 Ca 0.00 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ukx h VAL 95 Cb 0.05 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1ukx h VAL 95 CO 0.00 0.00 0.26 0.78 0.02 0.00 0.00 177.57 178.63 1ukx h ASN 96 N 0.03 0.32 0.63 0.57 2.35 -1.27 -0.03 115.58 118.18 1ukx h ASN 96 Ca 0.18 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1ukx h ASN 96 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ukx h ASN 96 CO -0.37 0.21 -0.35 0.25 -1.65 0.00 0.00 177.43 175.52 1ukx h LEU 97 N 0.48 -0.87 -0.76 1.61 6.46 -1.59 -1.08 115.31 119.57 1ukx h LEU 97 Ca 0.27 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1ukx h LEU 97 Cb 0.26 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1ukx h LEU 97 CO -0.23 -0.57 0.42 0.25 -0.62 0.00 0.00 178.44 177.69 1ukx h LEU 98 N -0.92 0.95 -0.37 2.25 5.85 -0.91 0.52 115.31 122.68 1ukx h LEU 98 Ca -0.08 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1ukx h LEU 98 Cb 0.73 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1ukx h LEU 98 CO 0.10 0.77 0.16 0.50 -0.34 0.00 0.00 178.44 179.64 1ukx h LYS 99 N 1.05 0.33 -0.44 1.25 3.64 -0.82 0.46 116.57 122.04 1ukx h LYS 99 Ca 0.27 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1ukx h LYS 99 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1ukx h LYS 99 CO -0.04 0.22 0.10 0.77 -2.27 0.00 0.00 179.45 178.22 1ukx h SER 100 N 0.34 0.62 -0.07 4.20 0.02 -0.43 0.58 113.55 118.81 1ukx h SER 100 Ca 0.16 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1ukx h SER 100 Cb 0.10 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ukx h SER 100 CO -0.14 0.62 0.00 0.45 -1.14 0.00 0.00 176.83 176.63 1ukx h HIS 101 N 0.65 0.13 -0.74 3.45 3.86 -0.14 -2.91 115.15 119.44 1ukx h HIS 101 Ca 0.15 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1ukx h HIS 101 Cb 0.26 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1ukx h HIS 101 CO 0.01 0.37 0.44 -0.07 0.86 0.00 0.00 177.93 179.55 1ukx h LEU 102 N -0.15 0.90 -2.63 2.43 3.38 -0.71 -0.68 115.31 117.85 1ukx h LEU 102 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ukx h LEU 102 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ukx h LEU 102 CO 0.00 0.71 0.00 -0.33 0.09 0.00 0.00 178.44 178.91 1ukx h GLU 103 N 1.02 0.00 0.05 1.13 5.08 -0.77 -0.98 114.58 120.11 1ukx h GLU 103 Ca 0.27 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 1ukx h GLU 103 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ukx h GLU 103 CO -0.05 0.00 -1.73 0.39 -1.00 0.00 0.00 179.01 176.62 1ukx n GLU 104 N -2.99 0.65 -0.31 2.33 -0.58 -0.73 -4.39 120.64 114.62 1ukx n GLU 104 Ca -0.02 0.40 0.16 0.00 -0.42 0.00 0.00 57.16 57.28 1ukx n GLU 104 Cb 0.10 -1.70 0.40 0.00 -0.57 0.00 0.00 31.44 29.68 1ukx n GLU 104 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ukx h LEU 105 N -0.53 0.62 -0.69 -4.62 5.85 -0.70 0.30 115.31 115.54 1ukx h LEU 105 Ca -0.42 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.45 1ukx h LEU 105 Cb 1.65 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 1ukx h LEU 105 CO -0.11 0.23 0.34 0.00 -0.34 0.00 0.00 178.44 178.56 1ukx h ALA 106 N 1.62 0.94 -0.93 1.25 0.00 -1.40 -0.69 119.26 120.06 1ukx h ALA 106 Ca 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1ukx h ALA 106 Cb 1.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1ukx h ALA 106 CO -0.29 -0.04 0.57 0.87 0.00 0.00 0.00 179.25 180.36 1ukx h LYS 107 N 0.60 1.25 -0.43 0.00 6.56 -1.14 -0.98 116.57 122.43 1ukx h LYS 107 Ca 0.33 -0.10 -0.13 0.00 -1.06 0.00 0.00 60.65 59.68 1ukx h LYS 107 Cb 0.33 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1ukx h LYS 107 CO -0.25 0.86 -0.26 0.87 -2.06 0.00 0.00 179.45 178.61 1ukx h LYS 108 N 1.27 0.91 0.00 3.15 1.57 -1.23 -2.86 116.57 119.38 1ukx h LYS 108 Ca 0.33 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ukx h LYS 108 Cb -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ukx h LYS 108 CO -0.06 1.05 -0.07 1.04 -0.57 0.00 0.00 179.45 180.84 1ukx n GLN 109 N -4.10 0.08 -1.77 3.15 1.13 -0.36 -4.91 117.38 110.61 1ukx n GLN 109 Ca -0.00 0.06 -0.41 0.00 -1.94 0.00 0.00 57.00 54.70 1ukx n GLN 109 Cb 0.47 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.24 1ukx n GLN 109 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukx n GLY 111 N 0.51 1.35 3.25 0.00 0.00 -1.16 -5.06 105.19 104.09 1ukx n GLY 111 Ca 0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ukx n GLU 112 N 0.00 0.64 -1.83 1.61 0.28 -1.23 -4.84 120.64 115.27 1ukx n GLU 112 Ca 0.00 -2.81 -0.42 0.00 -0.16 0.00 0.00 57.16 53.77 1ukx n GLU 112 Cb 0.00 2.63 -0.03 0.00 1.43 0.00 0.00 31.44 35.48 1ukx n GLU 112 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ukx s VAL 113 N -2.89 2.26 -0.15 3.84 -7.23 -1.26 -4.83 120.40 110.14 1ukx s VAL 113 Ca 0.30 0.20 0.02 0.00 -1.81 0.00 0.00 61.98 60.69 1ukx s VAL 113 Cb -0.00 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1ukx s VAL 113 CO 0.21 0.02 0.20 1.15 -0.31 0.00 0.00 175.10 176.38 1ukx n MET 114 N 3.33 4.67 -0.26 4.82 0.00 -1.26 -4.81 117.12 123.62 1ukx n MET 114 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 57.70 57.65 1ukx n MET 114 Cb 0.37 -0.70 0.09 0.00 0.00 0.00 0.00 33.22 32.98 1ukx n MET 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ukx h ILE 115 N 0.11 1.07 -0.97 3.17 2.04 -2.00 -1.35 117.51 119.59 1ukx h ILE 115 Ca 0.00 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1ukx h ILE 115 Cb 0.06 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1ukx h ILE 115 CO 0.00 0.16 0.64 -0.26 0.00 0.00 0.00 178.15 178.69 1ukx h PHE 116 N 0.85 1.21 -0.15 1.37 0.04 -2.00 -1.13 116.94 117.14 1ukx h PHE 116 Ca 0.30 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1ukx h PHE 116 Cb 0.06 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 1ukx h PHE 116 CO -0.05 0.76 0.04 1.49 -0.60 0.00 0.00 178.31 179.96 1ukx h GLU 117 N 1.30 0.24 -0.05 1.51 4.57 -1.68 -2.61 114.58 117.85 1ukx h GLU 117 Ca 0.36 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1ukx h GLU 117 Cb -0.14 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1ukx h GLU 117 CO -0.08 0.37 -0.06 -0.07 -1.18 0.00 0.00 179.01 177.99 1ukx h LEU 118 N 0.06 -0.19 -0.98 1.64 3.38 -0.65 0.13 115.31 118.70 1ukx h LEU 118 Ca 0.05 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1ukx h LEU 118 Cb 0.23 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1ukx h LEU 118 CO -0.00 -0.09 0.61 0.00 0.09 0.00 0.00 178.44 179.05 1ukx h ALA 119 N 0.96 1.49 -0.28 1.53 0.00 -1.29 -0.77 119.26 120.90 1ukx h ALA 119 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ukx h ALA 119 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ukx h ALA 119 CO -0.10 0.18 0.11 0.45 0.00 0.00 0.00 179.25 179.89 1ukx h HIS 120 N 0.95 0.43 -0.67 0.00 3.86 -0.84 -2.82 115.15 116.06 1ukx h HIS 120 Ca 0.49 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.63 1ukx h HIS 120 Cb 0.51 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 1ukx h HIS 120 CO -0.01 0.44 0.27 1.25 0.86 0.00 0.00 177.93 180.74 1ukx h HIS 121 N 0.30 0.99 -0.52 2.45 6.17 -0.10 -1.27 115.15 123.17 1ukx h HIS 121 Ca 0.09 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.12 1ukx h HIS 121 Cb 0.19 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 1ukx h HIS 121 CO -0.01 0.75 0.34 0.28 0.71 0.00 0.00 177.93 180.00 1ukx h VAL 122 N 0.96 1.11 0.00 5.26 2.07 -1.17 -1.10 116.25 123.39 1ukx h VAL 122 Ca 0.23 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 1ukx h VAL 122 Cb 0.18 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1ukx h VAL 122 CO -0.02 0.12 -0.57 1.56 0.02 0.00 0.00 177.57 178.68 1ukx h GLN 123 N 0.68 0.00 0.53 1.57 4.20 -1.05 0.11 115.11 121.15 1ukx h GLN 123 Ca 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1ukx h GLN 123 Cb -0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1ukx h GLN 123 CO -0.05 0.57 -0.45 0.77 -0.67 0.00 0.00 178.83 179.00 1ukx h SER 124 N 0.00 -1.22 -0.83 1.46 0.02 -1.13 -2.82 113.55 109.03 1ukx h SER 124 Ca -0.01 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1ukx h SER 124 Cb 1.03 0.39 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 1ukx h SER 124 CO 0.07 -0.63 0.49 0.15 -1.14 0.00 0.00 176.83 175.76 1ukx h PHE 125 N -0.97 1.12 0.08 3.45 3.57 -0.44 -0.56 116.94 123.19 1ukx h PHE 125 Ca -0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1ukx h PHE 125 Cb 0.83 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1ukx h PHE 125 CO -0.20 0.76 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.53 1ukx h LEU 126 N 1.15 -0.09 -0.87 0.59 3.38 -0.88 0.25 115.31 118.83 1ukx h LEU 126 Ca 0.30 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.20 1ukx h LEU 126 Cb -0.02 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1ukx h LEU 126 CO -0.05 0.17 0.45 -1.28 0.09 0.00 0.00 178.44 177.82 1ukx h SER 127 N -0.36 0.55 0.37 -0.43 0.87 -1.20 0.88 113.55 114.23 1ukx h SER 127 Ca -0.01 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1ukx h SER 127 Cb 0.31 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1ukx h SER 127 CO 0.02 0.22 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.77 1ukx h GLU 128 N 0.63 -0.81 0.00 2.24 4.39 -0.81 -2.77 114.58 117.45 1ukx h GLU 128 Ca 0.48 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1ukx h GLU 128 Cb 0.69 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1ukx h GLU 128 CO -0.37 -0.54 0.00 0.72 -1.16 0.00 0.00 179.01 177.66 1ukx n HIS 129 N -5.51 0.10 -3.32 4.33 8.25 0.05 -4.66 115.22 114.46 1ukx n HIS 129 Ca -0.10 0.04 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 1ukx n HIS 129 Cb 0.41 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.89 1ukx n HIS 129 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ukx s ASN 130 N -3.15 6.97 -0.05 0.41 2.47 0.23 -4.95 114.94 116.87 1ukx s ASN 130 Ca 0.05 1.16 -0.08 0.00 0.42 0.00 0.00 52.86 54.41 1ukx s ASN 130 Cb 0.07 -2.33 0.02 0.00 -1.45 0.00 0.00 41.25 37.56 1ukx s ASN 130 CO 0.22 0.25 0.20 -0.54 -3.72 0.00 0.00 177.10 173.51 1ukx s LYS 131 N -0.90 0.32 0.39 0.43 -0.14 -1.26 -4.91 119.74 113.67 1ukx s LYS 131 Ca 0.28 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 1ukx s LYS 131 Cb -0.18 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.11 1ukx s LYS 131 CO 0.17 -0.06 0.00 0.43 -0.76 0.00 0.00 175.35 175.13 1ukx n SER 132 N 2.51 -8.41 0.00 2.83 7.64 -1.26 -5.11 113.62 111.82 1ukx n SER 132 Ca -0.15 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1ukx n SER 132 Cb 0.58 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1ukx n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 133 N -4.21 1.81 2.47 0.23 0.00 -1.26 -5.10 105.19 99.13 1ukx n GLY 133 Ca -0.01 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1ukx n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ukx n PRO 134 N 1.41 -3.22 -4.35 1.61 -0.04 -1.26 -5.06 135.00 124.09 1ukx n PRO 134 Ca 0.00 -1.20 -0.28 0.00 -0.04 0.00 0.00 63.50 61.98 1ukx n PRO 134 Cb 0.00 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1ukx n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ukx s SER 135 N -3.32 3.74 -0.29 3.54 0.15 -1.26 -4.81 113.70 111.46 1ukx s SER 135 Ca 0.51 -0.68 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 1ukx s SER 135 Cb -0.07 -0.45 0.16 0.00 -1.71 0.00 0.00 66.02 63.96 1ukx s SER 135 CO 0.40 0.15 1.09 -0.55 1.20 0.00 0.00 173.24 175.53 1ukx s SER 136 N -2.40 -0.36 0.00 5.45 0.15 -1.26 -5.17 113.70 110.11 1ukx s SER 136 Ca 0.19 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1ukx s SER 136 Cb -0.09 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1ukx s SER 136 CO 0.10 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.06