#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 -7.26 -3.89 1.61 2.88 -1.26 -4.94 113.62 100.75 1ukx n SER 2 Ca 0.00 0.63 -0.28 0.00 -1.33 0.00 0.00 58.87 57.89 1ukx n SER 2 Cb 0.00 -3.78 -0.00 0.00 -0.75 0.00 0.00 64.21 59.68 1ukx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ukx n SER 3 N -3.84 -1.67 0.00 -3.46 7.64 -1.26 -4.99 113.62 106.04 1ukx n SER 3 Ca -0.01 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1ukx n SER 3 Cb 0.56 -3.08 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1ukx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 4 N -1.91 1.27 3.03 0.23 0.00 -1.26 -4.92 105.19 101.63 1ukx n GLY 4 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ukx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ukx n SER 5 N 0.00 -2.36 -4.56 1.61 2.88 -1.26 -4.95 113.62 104.98 1ukx n SER 5 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1ukx n SER 5 Cb 0.00 -1.74 -0.04 0.00 -0.75 0.00 0.00 64.21 61.68 1ukx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ukx s SER 6 N -2.23 5.89 0.00 -3.46 0.15 -1.26 -4.44 113.70 108.35 1ukx s SER 6 Ca 0.00 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.32 1ukx s SER 6 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ukx s SER 6 CO 0.00 -2.09 0.00 0.61 1.20 0.00 0.00 173.24 172.96 1ukx n GLY 7 N 6.56 -0.58 2.05 9.45 0.00 -1.26 -5.03 105.19 116.38 1ukx n GLY 7 Ca 0.39 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ukx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ukx n MET 8 N 0.00 0.00 -0.92 1.61 0.00 -1.26 -5.16 117.12 111.39 1ukx n MET 8 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.41 1ukx n MET 8 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 33.22 33.44 1ukx n MET 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1ukx s GLU 9 N -2.00 -0.66 0.00 2.12 -1.05 -1.26 -5.02 118.70 110.83 1ukx s GLU 9 Ca 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 1ukx s GLU 9 Cb 0.00 -1.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.07 1ukx s GLU 9 CO 0.00 -3.44 0.67 0.43 0.95 0.00 0.00 175.26 173.87 1ukx n SER 10 N -4.65 0.75 0.01 0.83 7.64 -1.26 -4.88 113.62 112.06 1ukx n SER 10 Ca 0.07 -1.37 -0.11 0.00 1.01 0.00 0.00 58.87 58.47 1ukx n SER 10 Cb 0.57 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1ukx n SER 10 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1ukx h TYR 11 N 0.00 0.02 0.00 1.43 0.05 -1.89 -3.03 116.97 113.55 1ukx h TYR 11 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ukx h TYR 11 Cb 0.79 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 1ukx h TYR 11 CO 0.00 0.01 -0.00 0.66 -1.05 0.00 0.00 178.16 177.78 1ukx h SER 12 N 0.04 0.00 -0.22 3.88 4.64 -1.90 0.15 113.55 120.13 1ukx h SER 12 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1ukx h SER 12 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1ukx h SER 12 CO -0.04 0.00 0.05 1.56 -0.87 0.00 0.00 176.83 177.53 1ukx h GLN 13 N 0.00 0.14 -0.33 4.77 4.20 -1.92 0.05 115.11 122.02 1ukx h GLN 13 Ca -0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1ukx h GLN 13 Cb 0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ukx h GLN 13 CO 0.00 0.09 0.02 0.00 -0.67 0.00 0.00 178.83 178.27 1ukx h ARG 14 N 0.14 0.57 -0.04 1.46 3.08 -1.14 -1.39 114.38 117.06 1ukx h ARG 14 Ca 0.10 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1ukx h ARG 14 Cb 0.09 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1ukx h ARG 14 CO -0.13 0.68 -0.26 1.96 -1.07 0.00 0.00 179.97 181.16 1ukx h GLN 15 N 0.38 -0.36 -0.65 0.04 4.20 -0.99 0.12 115.11 117.85 1ukx h GLN 15 Ca 0.10 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1ukx h GLN 15 Cb 0.41 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1ukx h GLN 15 CO 0.01 -0.24 0.16 0.22 -0.67 0.00 0.00 178.83 178.32 1ukx h ASP 16 N -0.37 0.96 -0.73 1.46 3.58 -1.03 -0.76 116.42 119.54 1ukx h ASP 16 Ca 0.08 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1ukx h ASP 16 Cb 0.48 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1ukx h ASP 16 CO -0.26 0.92 0.47 0.45 -2.88 0.00 0.00 179.24 177.94 1ukx h HIS 17 N 0.97 0.93 -0.26 0.28 3.86 -0.66 -1.51 115.15 118.76 1ukx h HIS 17 Ca 0.21 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.26 1ukx h HIS 17 Cb 0.34 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ukx h HIS 17 CO 0.02 0.60 -0.48 0.93 0.86 0.00 0.00 177.93 179.87 1ukx h GLU 18 N 0.99 0.79 -0.09 2.45 3.07 -0.28 -1.75 114.58 119.76 1ukx h GLU 18 Ca 0.26 -0.50 0.04 0.00 -0.50 0.00 0.00 59.36 58.67 1ukx h GLU 18 Cb -0.08 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.83 1ukx h GLU 18 CO -0.05 1.13 -0.26 -0.07 -1.40 0.00 0.00 179.01 178.35 1ukx h LEU 19 N 0.55 -0.81 -1.20 1.33 3.38 -1.02 0.13 115.31 117.66 1ukx h LEU 19 Ca 0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ukx h LEU 19 Cb 1.09 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1ukx h LEU 19 CO 0.11 -0.32 0.48 1.56 0.09 0.00 0.00 178.44 180.36 1ukx h GLN 20 N -0.36 1.01 -0.41 1.13 4.20 -1.19 -1.58 115.11 117.92 1ukx h GLN 20 Ca 0.09 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1ukx h GLN 20 Cb 0.49 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ukx h GLN 20 CO -0.29 0.69 -0.29 0.00 -0.67 0.00 0.00 178.83 178.27 1ukx h ALA 21 N 1.49 0.59 0.00 3.87 0.00 -0.78 -3.01 119.26 121.41 1ukx h ALA 21 Ca 0.27 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ukx h ALA 21 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ukx h ALA 21 CO -0.05 0.62 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 1ukx h LEU 22 N 0.74 0.00 -1.34 0.00 3.38 0.11 -1.12 115.31 117.08 1ukx h LEU 22 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1ukx h LEU 22 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1ukx h LEU 22 CO 0.08 0.15 -0.27 -0.08 0.09 0.00 0.00 178.44 178.41 1ukx h GLU 23 N 0.00 0.10 0.01 1.13 4.81 -1.18 -0.42 114.58 119.03 1ukx h GLU 23 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1ukx h GLU 23 Cb 0.36 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1ukx h GLU 23 CO 0.02 0.36 -0.36 0.00 -0.73 0.00 0.00 179.01 178.30 1ukx h ALA 24 N 1.64 0.06 -0.44 2.92 0.00 -1.35 -2.24 119.26 119.85 1ukx h ALA 24 Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1ukx h ALA 24 Cb 0.53 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ukx h ALA 24 CO 0.04 0.20 0.24 0.82 0.00 0.00 0.00 179.25 180.54 1ukx h ILE 25 N -0.95 1.16 0.00 0.00 1.08 -1.15 -3.38 117.51 114.28 1ukx h ILE 25 Ca -0.09 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1ukx h ILE 25 Cb 1.12 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1ukx h ILE 25 CO -0.04 0.17 -0.28 -1.22 -0.69 0.00 0.00 178.15 176.09 1ukx n TYR 26 N -4.70 0.00 0.00 1.37 4.01 -0.18 -5.06 117.16 112.60 1ukx n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1ukx n TYR 26 Cb 0.08 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 2.16 1.94 0.37 2.72 0.00 -0.84 -4.50 105.19 107.05 1ukx n GLY 27 Ca -0.04 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1ukx n GLY 27 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukx h SER 28 N 0.00 0.78 1.12 1.61 0.02 -1.93 -0.65 113.55 114.49 1ukx h SER 28 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1ukx h SER 28 Cb 0.00 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ukx h SER 28 CO 0.00 0.44 -0.15 0.44 -1.14 0.00 0.00 176.83 176.41 1ukx h ASP 29 N 0.85 0.00 -3.34 3.07 3.32 -1.90 -3.41 116.42 115.01 1ukx h ASP 29 Ca 0.43 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.89 1ukx h ASP 29 Cb 0.50 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.95 1ukx h ASP 29 CO -0.20 0.15 0.65 0.12 -1.72 0.00 0.00 179.24 178.24 1ukx s PHE 30 N -3.56 2.80 -0.33 4.55 5.36 -0.25 -1.84 117.98 124.71 1ukx s PHE 30 Ca 0.02 0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 56.09 1ukx s PHE 30 Cb 0.09 -4.13 0.02 0.00 -0.34 0.00 0.00 43.02 38.66 1ukx s PHE 30 CO 0.62 -1.32 0.14 -1.14 -1.46 0.00 0.00 175.22 172.06 1ukx s GLN 31 N 4.08 2.99 0.53 10.12 0.74 -0.02 -4.88 119.66 133.21 1ukx s GLN 31 Ca 0.35 -0.95 -0.21 0.00 0.05 0.00 0.00 55.36 54.60 1ukx s GLN 31 Cb -0.11 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 1ukx s GLN 31 CO 0.23 -0.55 1.25 0.16 -0.55 0.00 0.00 175.29 175.82 1ukx s ASP 32 N 1.52 5.57 0.11 6.67 -4.77 -1.26 -1.12 116.67 123.39 1ukx s ASP 32 Ca 0.02 2.50 0.00 0.00 -3.30 0.00 0.00 52.55 51.77 1ukx s ASP 32 Cb -0.18 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.04 1ukx s ASP 32 CO 0.05 -1.34 0.00 0.18 0.70 0.00 0.00 175.17 174.75 1ukx n LEU 33 N -0.98 0.21 -4.74 2.11 4.77 -1.20 -4.86 117.00 112.31 1ukx n LEU 33 Ca 0.10 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 1ukx n LEU 33 Cb 0.47 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1ukx n LEU 33 CO 0.49 -0.54 1.27 0.00 -1.33 0.00 0.00 177.39 177.27 1ukx s ARG 34 N -2.00 4.13 0.72 3.23 1.04 -0.90 -5.00 118.95 120.17 1ukx s ARG 34 Ca 0.00 2.58 -0.11 0.00 -1.04 0.00 0.00 55.73 57.15 1ukx s ARG 34 Cb 0.00 -3.04 0.02 0.00 -2.04 0.00 0.00 34.95 29.90 1ukx s ARG 34 CO 0.00 -0.65 1.07 -1.25 -0.04 0.00 0.00 175.30 174.43 1ukx s PRO 35 N -0.17 2.68 -0.04 3.89 0.04 -1.26 -4.95 135.00 135.20 1ukx s PRO 35 Ca 0.65 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1ukx s PRO 35 Cb -0.48 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1ukx s PRO 35 CO 0.45 -1.31 -0.04 0.34 0.04 0.00 0.00 177.00 176.48 1ukx s ASP 36 N -3.52 0.82 0.15 6.66 -1.08 -1.26 -5.07 116.67 113.38 1ukx s ASP 36 Ca 0.60 -0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 52.40 1ukx s ASP 36 Cb -0.16 -0.38 0.01 0.00 -1.46 0.00 0.00 42.92 40.93 1ukx s ASP 36 CO 0.54 -0.05 0.34 0.00 0.52 0.00 0.00 175.17 176.52 1ukx s ALA 37 N 0.82 -0.45 -0.21 3.66 0.00 -1.26 -5.05 121.76 119.26 1ukx s ALA 37 Ca -0.10 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 1ukx s ALA 37 Cb -0.13 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 1ukx s ALA 37 CO -0.00 -0.65 2.11 0.54 0.00 0.00 0.00 175.76 177.76 1ukx n ARG 38 N -0.21 1.79 -3.51 0.00 1.74 -1.26 -2.67 116.66 112.54 1ukx n ARG 38 Ca -0.12 0.56 -0.22 0.00 -0.77 0.00 0.00 57.85 57.30 1ukx n ARG 38 Cb 0.63 -2.82 0.04 0.00 -1.02 0.00 0.00 32.46 29.29 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ukx n GLY 39 N 5.57 -1.11 0.00 -0.13 0.00 -1.26 -5.02 105.19 103.24 1ukx n GLY 39 Ca 0.31 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1ukx n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ukx n ARG 40 N -3.42 0.05 -0.42 1.61 0.63 -1.09 -5.08 116.66 108.95 1ukx n ARG 40 Ca -0.10 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.55 1ukx n ARG 40 Cb 0.59 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.75 1ukx n ARG 40 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ukx n VAL 41 N -1.87 0.00 -3.75 5.15 3.14 -1.26 -5.04 118.33 114.70 1ukx n VAL 41 Ca 0.00 -0.24 -0.37 0.00 -2.96 0.00 0.00 64.34 60.77 1ukx n VAL 41 Cb 0.00 -0.87 -0.12 0.00 -1.06 0.00 0.00 33.84 31.78 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1ukx s ARG 42 N -4.36 3.44 0.29 1.45 6.06 -1.26 -5.08 118.95 119.49 1ukx s ARG 42 Ca 0.62 -0.63 -0.06 0.00 -2.50 0.00 0.00 55.73 53.17 1ukx s ARG 42 Cb -0.16 -3.36 -0.00 0.00 0.06 0.00 0.00 34.95 31.48 1ukx s ARG 42 CO 0.59 -0.29 0.43 -1.83 -2.50 0.00 0.00 175.30 171.69 1ukx s GLU 43 N 1.58 1.71 0.46 5.12 -1.05 -1.26 -5.17 118.70 120.08 1ukx s GLU 43 Ca 0.05 -1.58 -0.20 0.00 -0.15 0.00 0.00 54.97 53.08 1ukx s GLU 43 Cb -0.16 0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 33.87 1ukx s GLU 43 CO 0.03 -0.69 1.00 -1.25 0.95 0.00 0.00 175.26 175.29 1ukx s PRO 44 N -3.50 4.00 -1.26 -4.83 0.04 -1.26 -4.87 135.00 123.32 1ukx s PRO 44 Ca 0.29 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 1ukx s PRO 44 Cb 0.00 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1ukx s PRO 44 CO 0.16 -0.24 1.68 -1.25 0.04 0.00 0.00 177.00 177.38 1ukx s PRO 45 N -3.24 3.96 0.28 0.56 0.04 -1.10 -4.84 135.00 130.66 1ukx s PRO 45 Ca 0.65 -1.97 -0.29 0.00 0.04 0.00 0.00 61.00 59.42 1ukx s PRO 45 Cb -0.13 -5.48 -0.09 0.00 0.04 0.00 0.00 34.50 28.84 1ukx s PRO 45 CO 0.17 -2.21 1.04 -2.00 0.04 0.00 0.00 177.00 174.05 1ukx s GLU 46 N 4.05 4.68 0.14 4.56 2.12 -1.22 -4.55 118.70 128.47 1ukx s GLU 46 Ca 0.52 1.68 -0.01 0.00 0.36 0.00 0.00 54.97 57.52 1ukx s GLU 46 Cb 0.03 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1ukx s GLU 46 CO 0.05 0.29 0.06 0.96 -0.54 0.00 0.00 175.26 176.09 1ukx s ILE 47 N -1.21 0.12 -0.11 -3.70 -5.25 -0.71 -2.11 121.20 108.23 1ukx s ILE 47 Ca 0.44 -1.93 0.03 0.00 -0.99 0.00 0.00 60.65 58.21 1ukx s ILE 47 Cb -0.29 -2.10 0.00 0.00 2.95 0.00 0.00 42.46 43.02 1ukx s ILE 47 CO 0.37 -0.41 -0.22 0.21 -1.79 0.00 0.00 174.94 173.10 1ukx s ASN 48 N -3.07 3.21 0.06 4.36 2.47 -0.28 -3.07 114.94 118.62 1ukx s ASN 48 Ca 0.26 -0.54 0.06 0.00 0.42 0.00 0.00 52.86 53.06 1ukx s ASN 48 Cb 0.07 -1.44 -0.04 0.00 -1.45 0.00 0.00 41.25 38.40 1ukx s ASN 48 CO 0.03 0.14 -0.11 -0.76 -3.72 0.00 0.00 177.10 172.69 1ukx s LEU 49 N 0.44 2.98 -0.07 3.21 1.43 -0.33 -0.84 118.68 125.51 1ukx s LEU 49 Ca -0.16 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1ukx s LEU 49 Cb -0.17 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ukx s LEU 49 CO 0.06 0.22 0.04 -0.69 0.23 0.00 0.00 176.35 176.22 1ukx s VAL 50 N -1.09 4.57 -0.04 -1.59 1.01 -0.77 -0.38 120.40 122.11 1ukx s VAL 50 Ca 0.19 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1ukx s VAL 50 Cb -0.11 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1ukx s VAL 50 CO 0.10 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.91 1ukx s LEU 51 N -1.15 1.51 0.24 3.92 1.43 -0.75 -4.87 118.68 119.01 1ukx s LEU 51 Ca 0.16 -0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1ukx s LEU 51 Cb -0.12 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1ukx s LEU 51 CO 0.06 -0.01 -0.19 -0.31 0.23 0.00 0.00 176.35 176.13 1ukx s TYR 52 N 0.67 2.10 0.27 0.29 2.02 -1.26 -2.72 117.35 118.73 1ukx s TYR 52 Ca -0.10 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 1ukx s TYR 52 Cb -0.13 -0.95 -0.09 0.00 -0.40 0.00 0.00 41.96 40.38 1ukx s TYR 52 CO 0.01 0.56 1.19 -1.25 -1.57 0.00 0.00 175.55 174.49 1ukx s PRO 53 N -3.37 4.52 0.53 -1.71 0.04 -1.26 -4.55 135.00 129.20 1ukx s PRO 53 Ca 0.26 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 1ukx s PRO 53 Cb -0.04 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1ukx s PRO 53 CO 0.11 0.02 1.37 -1.14 0.04 0.00 0.00 177.00 177.40 1ukx s GLN 54 N -1.27 3.22 0.00 4.56 0.74 -1.25 -3.16 119.66 122.50 1ukx s GLN 54 Ca 0.48 2.27 0.00 0.00 0.05 0.00 0.00 55.36 58.16 1ukx s GLN 54 Cb -0.35 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.44 1ukx s GLN 54 CO 0.44 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.45 1ukx n GLY 55 N 0.70 2.58 2.84 2.59 0.00 -1.26 -4.90 105.19 107.75 1ukx n GLY 55 Ca 0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1ukx n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukx s LEU 56 N 0.00 2.64 -1.09 0.99 2.01 -1.19 -5.04 118.68 117.00 1ukx s LEU 56 Ca 0.00 -1.50 -0.23 0.00 0.01 0.00 0.00 54.13 52.41 1ukx s LEU 56 Cb 0.00 -1.05 -0.06 0.00 0.01 0.00 0.00 46.19 45.09 1ukx s LEU 56 CO 0.00 -0.34 1.91 0.00 1.01 0.00 0.00 176.35 178.92 1ukx s ALA 57 N 1.46 1.88 -0.94 4.21 0.00 -1.26 -3.96 121.76 123.14 1ukx s ALA 57 Ca 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1ukx s ALA 57 Cb -0.18 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1ukx s ALA 57 CO -0.15 -4.92 0.00 0.41 0.00 0.00 0.00 175.76 171.10 1ukx n GLY 58 N 6.17 0.46 2.91 0.00 0.00 -1.26 -5.00 105.19 108.47 1ukx n GLY 58 Ca 0.43 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1ukx n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ukx s GLU 59 N -3.80 0.98 0.24 1.61 2.12 -1.25 -4.89 118.70 113.70 1ukx s GLU 59 Ca 0.00 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1ukx s GLU 59 Cb 0.00 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1ukx s GLU 59 CO 0.00 -0.09 0.00 0.39 -0.54 0.00 0.00 175.26 175.02 1ukx n GLU 60 N 4.12 0.00 -0.41 4.30 1.02 -1.26 -4.78 120.64 123.63 1ukx n GLU 60 Ca -0.23 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.97 1ukx n GLU 60 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.91 1ukx n GLU 60 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ukx n VAL 61 N 0.00 0.00 0.18 2.62 0.24 -1.26 -5.02 118.33 115.09 1ukx n VAL 61 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ukx n VAL 61 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ukx n TYR 62 N -1.62 -3.64 -4.04 6.34 4.02 -1.26 -5.09 117.16 111.88 1ukx n TYR 62 Ca 0.00 1.05 -0.27 0.00 -0.01 0.00 0.00 57.90 58.66 1ukx n TYR 62 Cb 0.19 2.44 -0.05 0.00 -0.02 0.00 0.00 39.34 41.89 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 -2.00 4.72 0.21 -0.72 -7.23 -1.26 -3.50 120.40 110.62 1ukx s VAL 63 Ca 0.00 -0.89 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 1ukx s VAL 63 Cb 0.00 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1ukx s VAL 63 CO 0.00 -0.04 0.78 0.00 -0.31 0.00 0.00 175.10 175.54 1ukx s GLN 64 N -2.93 1.50 0.05 4.82 -2.07 -1.22 -4.37 119.66 115.44 1ukx s GLN 64 Ca 0.32 -0.79 -0.10 0.00 -1.82 0.00 0.00 55.36 52.97 1ukx s GLN 64 Cb -0.11 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1ukx s GLN 64 CO 0.24 -0.68 0.20 0.54 -1.32 0.00 0.00 175.29 174.28 1ukx s VAL 65 N -3.67 0.12 -0.10 3.63 0.11 -1.10 -1.34 120.40 118.04 1ukx s VAL 65 Ca 0.10 -0.95 -0.22 0.00 -2.93 0.00 0.00 61.98 57.97 1ukx s VAL 65 Cb -0.04 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1ukx s VAL 65 CO 0.02 -0.52 0.67 -1.61 -3.33 0.00 0.00 175.10 170.33 1ukx s GLU 66 N -2.91 4.37 -0.25 1.54 2.02 -0.57 -1.82 118.70 121.09 1ukx s GLU 66 Ca -0.02 0.79 -0.18 0.00 0.02 0.00 0.00 54.97 55.58 1ukx s GLU 66 Cb 0.01 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1ukx s GLU 66 CO -0.06 -0.01 0.49 -1.17 0.02 0.00 0.00 175.26 174.54 1ukx s LEU 67 N 1.08 4.08 -0.25 1.80 2.96 0.49 -1.07 118.68 127.76 1ukx s LEU 67 Ca 0.35 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.69 1ukx s LEU 67 Cb -0.17 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1ukx s LEU 67 CO 0.15 -0.24 0.11 -0.60 -1.32 0.00 0.00 176.35 174.46 1ukx s ARG 68 N 2.08 3.82 -0.08 1.98 6.06 0.15 -1.19 118.95 131.78 1ukx s ARG 68 Ca 0.21 -0.39 0.04 0.00 -2.50 0.00 0.00 55.73 53.09 1ukx s ARG 68 Cb -0.16 -3.43 -0.00 0.00 0.06 0.00 0.00 34.95 31.42 1ukx s ARG 68 CO 0.09 -0.11 -0.23 0.08 -2.50 0.00 0.00 175.30 172.64 1ukx s VAL 69 N 1.46 1.93 -0.26 7.11 1.01 -1.17 -1.59 120.40 128.89 1ukx s VAL 69 Ca 0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1ukx s VAL 69 Cb -0.15 -1.67 -0.13 0.00 0.00 0.00 0.00 36.38 34.43 1ukx s VAL 69 CO 0.06 0.53 -0.23 1.17 0.00 0.00 0.00 175.10 176.63 1ukx n LYS 70 N 3.39 0.58 -1.64 2.72 4.81 -1.21 -1.74 118.16 125.07 1ukx n LYS 70 Ca -0.19 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1ukx n LYS 70 Cb 0.53 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ukx s PRO 72 N -3.01 -2.47 0.39 0.00 0.05 -1.26 -4.16 135.00 124.54 1ukx s PRO 72 Ca 0.00 0.07 0.06 0.00 0.05 0.00 0.00 61.00 61.18 1ukx s PRO 72 Cb 0.00 -1.44 0.79 0.00 0.05 0.00 0.00 34.50 33.90 1ukx s PRO 72 CO 0.00 -4.56 2.03 -1.00 0.05 0.00 0.00 177.00 173.52 1ukx h PRO 73 N -3.19 0.65 -0.78 0.56 0.13 -1.94 -3.29 132.00 124.13 1ukx h PRO 73 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ukx h PRO 73 Cb 1.33 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ukx h PRO 73 CO 0.30 0.43 0.00 0.25 -0.23 0.00 0.00 178.00 178.74 1ukx n THR 74 N -4.46 1.45 -2.02 1.56 -2.24 -1.26 -4.50 114.28 102.80 1ukx n THR 74 Ca 0.06 -0.73 -0.34 0.00 -2.27 0.00 0.00 64.05 60.76 1ukx n THR 74 Cb 0.10 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1ukx n THR 74 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ukx s TYR 75 N -1.93 2.69 -2.04 4.78 6.14 -1.24 -1.82 117.35 123.93 1ukx s TYR 75 Ca 0.29 1.55 0.18 0.00 0.64 0.00 0.00 57.07 59.72 1ukx s TYR 75 Cb 0.22 -3.20 1.02 0.00 0.42 0.00 0.00 41.96 40.42 1ukx s TYR 75 CO 0.08 -1.55 1.66 -0.35 0.64 0.00 0.00 175.55 176.04 1ukx n PRO 76 N -1.86 1.11 -0.33 4.97 -0.04 -1.26 -4.85 135.00 132.74 1ukx n PRO 76 Ca 0.11 -0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.55 1ukx n PRO 76 Cb 0.52 -1.30 0.38 0.00 -0.04 0.00 0.00 33.50 33.06 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 0.34 0.67 -2.74 3.54 1.82 -1.79 -3.35 116.42 114.91 1ukx h ASP 77 Ca 0.00 0.09 -0.59 0.00 -0.39 0.00 0.00 57.03 56.14 1ukx h ASP 77 Cb 0.07 -0.03 -0.10 0.00 0.68 0.00 0.00 39.33 39.95 1ukx h ASP 77 CO 0.00 0.23 -0.63 0.68 -1.61 0.00 0.00 179.24 177.91 1ukx s VAL 78 N -5.72 3.88 0.39 2.25 -7.23 -0.76 -5.00 120.40 108.20 1ukx s VAL 78 Ca -0.10 -1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 1ukx s VAL 78 Cb 0.25 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 1ukx s VAL 78 CO 0.80 -0.15 1.21 0.68 -0.31 0.00 0.00 175.10 177.33 1ukx s VAL 79 N -1.81 2.98 0.66 1.32 -7.23 -1.26 -4.35 120.40 110.71 1ukx s VAL 79 Ca 0.29 0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 61.21 1ukx s VAL 79 Cb -0.09 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1ukx s VAL 79 CO 0.20 0.11 1.05 -2.16 -0.31 0.00 0.00 175.10 173.99 1ukx s PRO 80 N -2.18 3.28 0.25 4.82 0.04 -1.26 -4.92 135.00 135.04 1ukx s PRO 80 Ca 0.55 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1ukx s PRO 80 Cb -0.34 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1ukx s PRO 80 CO 0.43 -0.79 1.26 -2.00 0.04 0.00 0.00 177.00 175.93 1ukx s GLU 81 N -5.19 4.44 -0.08 4.56 2.12 -1.26 -4.98 118.70 118.31 1ukx s GLU 81 Ca 0.56 2.03 0.02 0.00 0.36 0.00 0.00 54.97 57.95 1ukx s GLU 81 Cb -0.12 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1ukx s GLU 81 CO 0.54 -0.12 -0.13 0.42 -0.54 0.00 0.00 175.26 175.42 1ukx s ILE 82 N -0.52 1.23 0.03 -3.70 1.01 -1.26 -3.30 121.20 114.69 1ukx s ILE 82 Ca 0.52 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1ukx s ILE 82 Cb -0.36 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1ukx s ILE 82 CO 0.43 0.38 -0.11 -0.62 0.00 0.00 0.00 174.94 175.02 1ukx s ASP 83 N 0.79 1.25 -0.19 3.58 -1.08 -0.62 -5.03 116.67 115.37 1ukx s ASP 83 Ca -0.12 -0.41 0.01 0.00 -0.52 0.00 0.00 52.55 51.51 1ukx s ASP 83 Cb -0.16 -0.06 0.04 0.00 -1.46 0.00 0.00 42.92 41.28 1ukx s ASP 83 CO 0.02 -0.02 -0.11 -0.76 0.52 0.00 0.00 175.17 174.83 1ukx s LEU 84 N -1.04 2.15 0.27 -1.34 1.02 -1.26 -0.67 118.68 117.81 1ukx s LEU 84 Ca -0.01 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.35 1ukx s LEU 84 Cb -0.07 -1.21 -0.06 0.00 0.02 0.00 0.00 46.19 44.88 1ukx s LEU 84 CO 0.01 -0.13 0.06 -0.54 0.02 0.00 0.00 176.35 175.76 1ukx s LYS 85 N 1.42 1.47 -1.37 1.70 1.02 -0.24 -4.83 119.74 118.91 1ukx s LYS 85 Ca -0.00 -1.79 -0.12 0.00 0.02 0.00 0.00 55.97 54.08 1ukx s LYS 85 Cb -0.16 -0.56 0.10 0.00 -0.52 0.00 0.00 37.83 36.70 1ukx s LYS 85 CO -0.09 -0.20 0.57 0.09 -0.92 0.00 0.00 175.35 174.80 1ukx n ASN 86 N -0.52 -3.41 -4.69 2.83 3.02 -1.26 -1.51 115.26 109.71 1ukx n ASN 86 Ca -0.02 -0.57 -0.31 0.00 -0.03 0.00 0.00 54.58 53.65 1ukx n ASN 86 Cb 0.66 -2.83 0.15 0.00 -0.61 0.00 0.00 39.78 37.15 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 -3.00 1.67 0.13 5.41 0.00 -1.26 -4.58 121.76 120.13 1ukx s ALA 87 Ca 0.50 0.59 0.06 0.00 0.00 0.00 0.00 51.96 53.12 1ukx s ALA 87 Cb -0.27 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1ukx s ALA 87 CO 0.62 -2.51 -0.15 0.15 0.00 0.00 0.00 175.76 173.88 1ukx s LYS 88 N -4.58 1.06 0.00 0.00 1.02 -0.45 -4.87 119.74 111.92 1ukx s LYS 88 Ca 0.67 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1ukx s LYS 88 Cb -0.23 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1ukx s LYS 88 CO 0.56 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 1ukx n GLY 89 N 0.51 1.02 3.56 -3.33 0.00 -1.23 -3.40 105.19 102.32 1ukx n GLY 89 Ca -0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 3.32 -0.80 0.99 1.43 -1.26 -4.89 118.68 117.47 1ukx s LEU 90 Ca 0.00 -0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 51.97 1ukx s LEU 90 Cb 0.00 -2.56 -0.14 0.00 0.03 0.00 0.00 46.19 43.52 1ukx s LEU 90 CO 0.00 -2.10 1.95 -1.20 0.23 0.00 0.00 176.35 175.23 1ukx n SER 91 N 11.27 2.80 0.00 2.29 7.64 -1.26 -4.08 113.62 132.28 1ukx n SER 91 Ca 0.33 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1ukx n SER 91 Cb 0.49 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ukx n ASN 92 N 7.08 -0.99 0.00 6.43 3.02 -1.26 -4.92 115.26 124.63 1ukx n ASN 92 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1ukx n ASN 92 Cb 0.37 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ukx n GLU 93 N -0.87 0.00 0.00 3.52 1.02 -1.26 -3.48 120.64 119.57 1ukx n GLU 93 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1ukx n GLU 93 Cb 0.08 -0.41 0.24 0.00 -0.02 0.00 0.00 31.44 31.33 1ukx n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ukx n SER 94 N -0.16 0.00 -0.13 1.62 7.64 -1.26 -0.86 113.62 120.47 1ukx n SER 94 Ca 0.00 -0.47 -0.09 0.00 1.01 0.00 0.00 58.87 59.32 1ukx n SER 94 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ukx h VAL 95 N 0.00 1.22 -0.52 0.44 2.07 -1.86 -0.81 116.25 116.79 1ukx h VAL 95 Ca 0.00 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 66.88 1ukx h VAL 95 Cb 0.00 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1ukx h VAL 95 CO 0.00 0.26 -0.18 0.78 0.02 0.00 0.00 177.57 178.44 1ukx h ASN 96 N 0.49 -0.66 0.62 0.57 2.35 -1.03 0.98 115.58 118.91 1ukx h ASN 96 Ca 0.13 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1ukx h ASN 96 Cb 0.28 0.39 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1ukx h ASN 96 CO -0.00 -0.22 -0.30 0.25 -1.65 0.00 0.00 177.43 175.51 1ukx h LEU 97 N -0.06 -0.70 -0.91 1.61 6.46 -1.63 -1.63 115.31 118.45 1ukx h LEU 97 Ca 0.25 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1ukx h LEU 97 Cb 0.44 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1ukx h LEU 97 CO -0.57 -0.45 0.04 0.25 -0.62 0.00 0.00 178.44 177.10 1ukx h LEU 98 N -0.92 0.80 -0.41 2.25 5.85 -0.87 -0.27 115.31 121.75 1ukx h LEU 98 Ca -0.09 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1ukx h LEU 98 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1ukx h LEU 98 CO 0.14 0.84 0.15 0.50 -0.34 0.00 0.00 178.44 179.73 1ukx h LYS 99 N 0.79 0.61 -0.92 1.25 3.64 -0.70 0.61 116.57 121.86 1ukx h LYS 99 Ca 0.16 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1ukx h LYS 99 Cb 0.41 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1ukx h LYS 99 CO 0.01 0.59 0.58 0.77 -2.27 0.00 0.00 179.45 179.13 1ukx h SER 100 N 0.51 0.89 -0.46 4.20 0.02 -0.86 -0.70 113.55 117.15 1ukx h SER 100 Ca 0.13 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1ukx h SER 100 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1ukx h SER 100 CO -0.01 0.54 0.15 0.45 -1.14 0.00 0.00 176.83 176.83 1ukx h HIS 101 N 1.01 0.73 -0.47 3.45 3.86 -0.04 -1.19 115.15 122.50 1ukx h HIS 101 Ca 0.42 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.52 1ukx h HIS 101 Cb 0.25 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1ukx h HIS 101 CO -0.02 0.65 0.16 -0.07 0.86 0.00 0.00 177.93 179.51 1ukx h LEU 102 N 0.61 0.68 -1.11 2.43 3.38 -0.54 0.19 115.31 120.96 1ukx h LEU 102 Ca 0.15 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1ukx h LEU 102 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ukx h LEU 102 CO -0.01 0.70 -0.01 -0.33 0.09 0.00 0.00 178.44 178.89 1ukx h GLU 103 N 0.63 0.62 -0.02 1.13 5.08 -0.98 -0.60 114.58 120.44 1ukx h GLU 103 Ca 0.15 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1ukx h GLU 103 Cb 0.25 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ukx h GLU 103 CO -0.01 0.65 -0.49 0.93 -1.00 0.00 0.00 179.01 179.09 1ukx h GLU 104 N 0.59 0.36 -0.95 2.33 4.39 -0.93 -3.19 114.58 117.18 1ukx h GLU 104 Ca 0.12 -0.36 0.12 0.00 0.34 0.00 0.00 59.36 59.58 1ukx h GLU 104 Cb 0.38 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.05 1ukx h GLU 104 CO 0.01 1.04 0.60 1.25 -1.16 0.00 0.00 179.01 180.76 1ukx h LEU 105 N -0.18 0.83 -0.71 1.33 5.85 -0.54 -0.84 115.31 121.05 1ukx h LEU 105 Ca -0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1ukx h LEU 105 Cb 1.20 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1ukx h LEU 105 CO 0.10 0.45 0.42 0.00 -0.34 0.00 0.00 178.44 179.07 1ukx h ALA 106 N 1.56 0.95 0.00 1.25 0.00 -1.10 0.14 119.26 122.05 1ukx h ALA 106 Ca 0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1ukx h ALA 106 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ukx h ALA 106 CO -0.23 0.15 -0.23 0.87 0.00 0.00 0.00 179.25 179.82 1ukx h LYS 107 N 0.80 0.00 0.15 0.00 6.56 -1.15 -0.24 116.57 122.68 1ukx h LYS 107 Ca 0.30 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.61 1ukx h LYS 107 Cb 0.12 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.81 1ukx h LYS 107 CO -0.15 0.23 -1.20 0.87 -2.06 0.00 0.00 179.45 177.14 1ukx h LYS 108 N 0.00 0.55 0.00 3.15 1.57 -0.99 -3.29 116.57 117.56 1ukx h LYS 108 Ca -0.00 -0.79 -0.05 0.00 -1.87 0.00 0.00 60.65 57.94 1ukx h LYS 108 Cb 0.47 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ukx h LYS 108 CO 0.03 1.36 -0.23 1.96 -0.57 0.00 0.00 179.45 182.00 1ukx h GLN 109 N 0.13 0.00 -6.00 3.15 1.08 -0.47 -3.45 115.11 109.56 1ukx h GLN 109 Ca -0.19 0.00 -0.77 0.00 -1.45 0.00 0.00 58.65 56.24 1ukx h GLN 109 Cb 1.90 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.29 1ukx h GLN 109 CO 0.23 0.23 1.32 0.00 -0.95 0.00 0.00 178.83 179.66 1ukx n GLY 111 N 7.49 2.01 1.52 0.00 0.00 -1.26 -5.05 105.19 109.89 1ukx n GLY 111 Ca 0.55 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 0.33 -1.90 1.61 0.28 -0.82 -5.09 120.64 115.06 1ukx n GLU 112 Ca 0.00 -1.21 -0.41 0.00 -0.16 0.00 0.00 57.16 55.38 1ukx n GLU 112 Cb 0.00 1.20 -0.01 0.00 1.43 0.00 0.00 31.44 34.07 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 -2.60 2.26 0.00 3.84 -7.23 -1.26 -4.83 120.40 110.57 1ukx s VAL 113 Ca 0.12 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1ukx s VAL 113 Cb -0.01 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1ukx s VAL 113 CO 0.09 0.06 0.00 1.15 -0.31 0.00 0.00 175.10 176.09 1ukx n MET 114 N 0.48 3.20 -0.24 4.82 0.00 -1.26 -4.77 117.12 119.35 1ukx n MET 114 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.75 1ukx n MET 114 Cb 0.40 -0.60 0.15 0.00 0.00 0.00 0.00 33.22 33.17 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 0.00 0.48 -0.16 3.17 2.04 -1.99 0.13 117.51 121.17 1ukx h ILE 115 Ca 0.00 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ukx h ILE 115 Cb 0.00 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1ukx h ILE 115 CO 0.00 0.04 0.09 -0.26 0.00 0.00 0.00 178.15 178.01 1ukx h PHE 116 N 0.19 0.16 -0.85 1.37 0.04 -2.00 -1.55 116.94 114.30 1ukx h PHE 116 Ca 0.39 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.19 1ukx h PHE 116 Cb 0.66 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 1ukx h PHE 116 CO -0.32 0.10 0.56 1.49 -0.60 0.00 0.00 178.31 179.54 1ukx h GLU 117 N 0.18 1.07 0.52 1.51 4.22 -1.57 0.17 114.58 120.69 1ukx h GLU 117 Ca 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1ukx h GLU 117 Cb 0.01 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1ukx h GLU 117 CO -0.04 0.71 -0.25 -0.07 -2.18 0.00 0.00 179.01 177.17 1ukx h LEU 118 N 1.10 -0.60 -0.09 1.64 3.38 -0.08 0.14 115.31 120.80 1ukx h LEU 118 Ca 0.33 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1ukx h LEU 118 Cb -0.04 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1ukx h LEU 118 CO -0.09 -0.43 -0.30 0.00 0.09 0.00 0.00 178.44 177.72 1ukx h ALA 119 N -0.21 -0.36 -0.51 1.53 0.00 -1.10 -1.50 119.26 117.11 1ukx h ALA 119 Ca -0.07 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ukx h ALA 119 Cb 0.54 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1ukx h ALA 119 CO 0.11 -0.78 0.01 0.45 0.00 0.00 0.00 179.25 179.04 1ukx h HIS 120 N -0.40 -0.02 -0.02 0.00 3.86 -0.69 0.39 115.15 118.28 1ukx h HIS 120 Ca 0.09 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1ukx h HIS 120 Cb 0.53 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1ukx h HIS 120 CO -0.37 -0.11 0.01 1.25 0.86 0.00 0.00 177.93 179.57 1ukx h HIS 121 N 0.12 0.02 -0.81 2.45 6.17 -0.55 -2.03 115.15 120.53 1ukx h HIS 121 Ca 0.26 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.39 1ukx h HIS 121 Cb 0.39 -0.01 -0.06 0.00 2.52 0.00 0.00 27.41 30.25 1ukx h HIS 121 CO -0.31 0.05 0.50 0.28 0.71 0.00 0.00 177.93 179.17 1ukx h VAL 122 N -0.01 1.06 -0.69 5.26 2.07 -0.69 -0.96 116.25 122.30 1ukx h VAL 122 Ca 0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ukx h VAL 122 Cb 0.04 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 1ukx h VAL 122 CO -0.00 0.17 0.44 1.56 0.02 0.00 0.00 177.57 179.76 1ukx h GLN 123 N 0.94 0.91 0.04 1.57 4.20 -0.46 0.15 115.11 122.46 1ukx h GLN 123 Ca 0.35 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1ukx h GLN 123 Cb 0.12 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1ukx h GLN 123 CO -0.15 0.62 -0.02 1.03 -0.67 0.00 0.00 178.83 179.63 1ukx h SER 124 N 0.93 -0.05 -0.68 1.46 0.87 -0.77 -3.06 113.55 112.25 1ukx h SER 124 Ca 0.25 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1ukx h SER 124 Cb -0.08 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1ukx h SER 124 CO -0.05 0.22 0.24 0.15 -0.53 0.00 0.00 176.83 176.86 1ukx h PHE 125 N -0.32 1.09 0.26 2.24 3.04 -0.50 -2.48 116.94 120.26 1ukx h PHE 125 Ca -0.01 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1ukx h PHE 125 Cb 0.29 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1ukx h PHE 125 CO 0.01 0.85 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.96 1ukx h LEU 126 N 1.03 -0.29 -0.96 0.59 3.38 -0.77 -1.52 115.31 116.77 1ukx h LEU 126 Ca 0.23 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1ukx h LEU 126 Cb 0.26 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1ukx h LEU 126 CO -0.01 -0.08 0.59 0.28 0.09 0.00 0.00 178.44 179.31 1ukx h SER 127 N -0.49 0.87 -0.06 -0.43 0.02 -1.40 0.35 113.55 112.40 1ukx h SER 127 Ca -0.04 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1ukx h SER 127 Cb 0.37 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1ukx h SER 127 CO 0.06 0.48 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.77 1ukx h GLU 128 N 0.96 0.38 -0.01 3.45 5.08 -1.22 -1.45 114.58 121.77 1ukx h GLU 128 Ca 0.47 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1ukx h GLU 128 Cb 0.43 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ukx h GLU 128 CO -0.26 0.51 -0.24 0.72 -1.00 0.00 0.00 179.01 178.74 1ukx n HIS 129 N -4.23 0.00 -0.04 4.33 8.25 -0.52 -4.48 115.22 118.53 1ukx n HIS 129 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ukx n HIS 129 Cb 0.30 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 1ukx n HIS 129 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1ukx h ASN 130 N 0.86 -0.02 -5.39 0.41 -0.73 0.76 -3.46 115.58 108.01 1ukx h ASN 130 Ca 0.00 0.00 -0.40 0.00 1.87 0.00 0.00 56.30 57.77 1ukx h ASN 130 Cb 0.47 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 1ukx h ASN 130 CO 0.00 0.45 -0.61 0.29 -0.37 0.00 0.00 177.43 177.20 1ukx n LYS 131 N -4.65 -4.16 -2.32 6.67 5.02 -1.16 -4.89 118.16 112.67 1ukx n LYS 131 Ca -0.00 0.60 -0.37 0.00 -2.02 0.00 0.00 58.31 56.52 1ukx n LYS 131 Cb 0.01 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 29.60 1ukx n LYS 131 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ukx s SER 132 N -2.83 5.82 0.50 4.39 0.15 -1.26 -4.94 113.70 115.53 1ukx s SER 132 Ca 0.43 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1ukx s SER 132 Cb -0.22 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1ukx s SER 132 CO 0.53 -2.08 0.00 0.61 1.20 0.00 0.00 173.24 173.50 1ukx n GLY 133 N 6.22 1.61 3.60 9.45 0.00 -1.26 -4.16 105.19 120.65 1ukx n GLY 133 Ca 0.24 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1ukx n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ukx s PRO 134 N 0.00 3.34 -0.52 1.61 0.04 -1.26 -4.97 135.00 133.24 1ukx s PRO 134 Ca 0.00 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1ukx s PRO 134 Cb 0.00 -4.20 0.03 0.00 0.04 0.00 0.00 34.50 30.37 1ukx s PRO 134 CO 0.00 -1.85 1.00 -1.12 0.04 0.00 0.00 177.00 175.07 1ukx s SER 135 N 6.14 6.45 0.85 6.66 0.01 -1.26 -5.06 113.70 127.49 1ukx s SER 135 Ca 0.81 -0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.95 1ukx s SER 135 Cb -0.23 -2.47 0.11 0.00 0.21 0.00 0.00 66.02 63.63 1ukx s SER 135 CO 0.34 -1.21 1.12 -0.94 0.41 0.00 0.00 173.24 172.96 1ukx s SER 136 N 2.61 3.62 0.00 2.44 1.04 -1.26 -5.19 113.70 116.96 1ukx s SER 136 Ca 0.37 2.02 0.30 0.00 0.48 0.00 0.00 55.95 59.11 1ukx s SER 136 Cb -0.10 -2.54 1.44 0.00 0.10 0.00 0.00 66.02 64.92 1ukx s SER 136 CO 0.24 -2.63 1.96 0.61 0.98 0.00 0.00 173.24 174.41