#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx s SER 2 N 0.00 0.08 0.00 1.61 0.01 -1.26 -5.04 113.70 109.10 1ukx s SER 2 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1ukx s SER 2 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1ukx s SER 2 CO 0.00 -0.09 0.00 -1.20 0.41 0.00 0.00 173.24 172.36 1ukx n SER 3 N 2.63 0.00 0.00 2.44 7.64 -1.26 -5.15 113.62 119.92 1ukx n SER 3 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ukx n SER 3 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.14 -0.34 3.25 0.23 0.00 -1.26 -5.05 105.19 101.88 1ukx n GLY 4 Ca 0.00 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 1ukx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukx s SER 5 N -1.59 2.10 0.76 1.61 0.01 -1.26 -5.16 113.70 110.17 1ukx s SER 5 Ca 0.00 -0.80 -0.11 0.00 1.31 0.00 0.00 55.95 56.35 1ukx s SER 5 Cb 0.00 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.19 1ukx s SER 5 CO 0.00 -0.11 1.10 -0.55 0.41 0.00 0.00 173.24 174.09 1ukx s SER 6 N -2.41 4.94 0.00 2.44 0.15 -1.26 -5.03 113.70 112.53 1ukx s SER 6 Ca 0.09 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1ukx s SER 6 Cb -0.06 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1ukx s SER 6 CO 0.04 -1.67 0.00 0.61 1.20 0.00 0.00 173.24 173.41 1ukx n GLY 7 N -2.58 -0.93 3.51 9.45 0.00 -1.26 -5.13 105.19 108.25 1ukx n GLY 7 Ca 0.07 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 1ukx n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ukx n MET 8 N 0.00 -0.37 -1.14 1.61 0.00 -1.26 -5.02 117.12 110.94 1ukx n MET 8 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 57.70 57.35 1ukx n MET 8 Cb 0.00 -2.04 0.17 0.00 0.00 0.00 0.00 33.22 31.35 1ukx n MET 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1ukx s GLU 9 N -4.00 0.54 0.29 3.17 2.12 -1.26 -4.92 118.70 114.64 1ukx s GLU 9 Ca 0.60 0.61 0.00 0.00 0.36 0.00 0.00 54.97 56.54 1ukx s GLU 9 Cb -0.22 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1ukx s GLU 9 CO 0.64 -2.68 0.00 0.43 -0.54 0.00 0.00 175.26 173.11 1ukx n SER 10 N -4.15 -4.19 0.00 -1.70 7.64 -1.26 -5.03 113.62 104.93 1ukx n SER 10 Ca 0.06 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1ukx n SER 10 Cb 0.57 -1.97 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1ukx n SER 10 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ukx n TYR 11 N -1.97 0.00 0.23 1.43 4.01 -1.26 -4.80 117.16 114.80 1ukx n TYR 11 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 1ukx n TYR 11 Cb 0.22 0.18 0.86 0.00 -0.31 0.00 0.00 39.34 40.29 1ukx n TYR 11 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1ukx h SER 12 N 0.00 0.00 0.00 7.72 0.02 -1.89 -0.25 113.55 119.14 1ukx h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ukx h SER 12 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ukx h SER 12 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1ukx n GLN 13 N -3.76 0.00 -0.32 3.45 1.13 -1.26 -2.16 117.38 114.45 1ukx n GLN 13 Ca 0.01 0.38 0.20 0.00 -1.94 0.00 0.00 57.00 55.64 1ukx n GLN 13 Cb 0.28 -1.20 0.39 0.00 0.11 0.00 0.00 30.24 29.81 1ukx n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukx h ARG 14 N 0.00 0.10 0.59 -1.09 3.08 -1.81 -0.00 114.38 115.24 1ukx h ARG 14 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1ukx h ARG 14 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1ukx h ARG 14 CO 0.00 0.06 -0.49 1.96 -1.07 0.00 0.00 179.97 180.43 1ukx h GLN 15 N 0.10 -1.02 -0.41 0.04 4.20 -1.12 -0.76 115.11 116.15 1ukx h GLN 15 Ca 0.67 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.40 1ukx h GLN 15 Cb 1.51 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.50 1ukx h GLN 15 CO -0.77 -0.68 0.07 0.22 -0.67 0.00 0.00 178.83 177.00 1ukx h ASP 16 N -1.05 0.57 -0.44 1.46 3.58 -0.73 -1.10 116.42 118.71 1ukx h ASP 16 Ca -0.08 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1ukx h ASP 16 Cb 0.89 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 1ukx h ASP 16 CO -0.00 0.60 0.27 -0.74 -2.88 0.00 0.00 179.24 176.49 1ukx h HIS 17 N 0.60 0.60 0.23 0.28 2.76 -0.83 -0.96 115.15 117.83 1ukx h HIS 17 Ca 0.13 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.01 1ukx h HIS 17 Cb 0.27 -0.20 0.04 0.00 1.55 0.00 0.00 27.41 29.07 1ukx h HIS 17 CO 0.01 0.40 -1.33 1.49 -1.30 0.00 0.00 177.93 177.21 1ukx h GLU 18 N 0.63 0.49 -0.42 5.26 4.57 -0.28 -3.03 114.58 121.79 1ukx h GLU 18 Ca 0.17 -0.84 0.01 0.00 -1.18 0.00 0.00 59.36 57.52 1ukx h GLU 18 Cb -0.02 0.31 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1ukx h GLU 18 CO -0.03 1.40 0.27 -0.07 -1.18 0.00 0.00 179.01 179.40 1ukx h LEU 19 N 0.03 0.45 -1.25 1.64 3.38 -0.83 0.24 115.31 118.96 1ukx h LEU 19 Ca -0.23 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1ukx h LEU 19 Cb 2.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1ukx h LEU 19 CO 0.25 0.32 -0.15 1.56 0.09 0.00 0.00 178.44 180.51 1ukx h GLN 20 N 0.54 0.33 -0.04 1.13 4.20 -1.33 -1.77 115.11 118.17 1ukx h GLN 20 Ca 0.16 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 1ukx h GLN 20 Cb -0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ukx h GLN 20 CO -0.05 0.48 -0.65 0.00 -0.67 0.00 0.00 178.83 177.94 1ukx h ALA 21 N 1.54 0.84 -0.60 3.87 0.00 -1.14 -2.58 119.26 121.19 1ukx h ALA 21 Ca 0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1ukx h ALA 21 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ukx h ALA 21 CO 0.03 0.77 0.03 -0.07 0.00 0.00 0.00 179.25 180.02 1ukx h LEU 22 N 0.11 0.99 -1.84 0.00 3.38 -0.17 0.21 115.31 117.99 1ukx h LEU 22 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ukx h LEU 22 Cb 1.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ukx h LEU 22 CO 0.09 1.03 0.00 -0.08 0.09 0.00 0.00 178.44 179.57 1ukx h GLU 23 N 0.95 0.00 0.03 1.13 4.81 -1.20 -1.77 114.58 118.53 1ukx h GLU 23 Ca 0.18 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 1ukx h GLU 23 Cb 0.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1ukx h GLU 23 CO 0.02 0.00 -1.29 0.00 -0.73 0.00 0.00 179.01 177.01 1ukx h ALA 24 N 2.02 0.26 -0.40 2.92 0.00 -0.98 -2.94 119.26 120.13 1ukx h ALA 24 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 54.91 53.62 1ukx h ALA 24 Cb 0.34 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ukx h ALA 24 CO 0.00 0.75 -0.19 0.82 0.00 0.00 0.00 179.25 180.63 1ukx h ILE 25 N -0.80 1.27 0.00 0.00 1.08 -0.86 -3.38 117.51 114.82 1ukx h ILE 25 Ca -0.33 -1.29 -0.15 0.00 -0.39 0.00 0.00 64.86 62.70 1ukx h ILE 25 Cb 1.42 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 1ukx h ILE 25 CO -0.14 0.43 -1.57 -1.22 -0.69 0.00 0.00 178.15 174.96 1ukx n TYR 26 N -4.13 0.00 -1.03 1.37 4.01 -0.68 -5.04 117.16 111.67 1ukx n TYR 26 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1ukx n TYR 26 Cb 0.41 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 2.90 0.67 0.00 2.72 0.00 -1.11 -4.21 105.19 106.16 1ukx n GLY 27 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 0.00 0.08 1.61 7.64 -1.26 -4.97 113.62 116.85 1ukx n SER 28 Ca -0.07 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.77 1ukx n SER 28 Cb 0.33 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.69 1ukx n SER 28 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1ukx h ASP 29 N 0.00 0.31 -3.46 6.43 2.03 -1.90 -3.46 116.42 116.37 1ukx h ASP 29 Ca 0.00 -0.16 -0.54 0.00 -0.73 0.00 0.00 57.03 55.61 1ukx h ASP 29 Cb 0.00 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.38 1ukx h ASP 29 CO 0.00 0.77 0.19 0.12 -1.03 0.00 0.00 179.24 179.29 1ukx s PHE 30 N -3.95 3.78 -0.16 4.15 5.36 -1.26 -3.64 117.98 122.26 1ukx s PHE 30 Ca -0.05 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.46 1ukx s PHE 30 Cb 0.12 -2.84 0.05 0.00 -0.34 0.00 0.00 43.02 40.01 1ukx s PHE 30 CO 0.79 0.32 -0.02 -1.14 -1.46 0.00 0.00 175.22 173.71 1ukx s GLN 31 N -0.27 1.13 -0.15 10.12 0.74 -0.21 -5.00 119.66 126.02 1ukx s GLN 31 Ca 0.39 -0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.08 1ukx s GLN 31 Cb -0.21 -1.93 -0.01 0.00 1.10 0.00 0.00 33.01 31.96 1ukx s GLN 31 CO 0.24 -0.48 0.95 0.16 -0.55 0.00 0.00 175.29 175.62 1ukx s ASP 32 N 1.72 7.12 -0.37 6.67 -4.77 -1.26 -1.21 116.67 124.58 1ukx s ASP 32 Ca 0.00 1.39 0.05 0.00 -3.30 0.00 0.00 52.55 50.70 1ukx s ASP 32 Cb -0.16 -2.52 0.45 0.00 -1.09 0.00 0.00 42.92 39.61 1ukx s ASP 32 CO -0.07 -0.47 1.30 0.18 0.70 0.00 0.00 175.17 176.81 1ukx n LEU 33 N 5.30 5.30 -4.03 2.11 4.77 -0.25 -4.92 117.00 125.29 1ukx n LEU 33 Ca 0.08 -4.77 -0.33 0.00 -0.03 0.00 0.00 56.01 50.96 1ukx n LEU 33 Cb 0.48 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1ukx n LEU 33 CO 0.51 2.04 0.11 -0.13 -1.33 0.00 0.00 177.39 178.59 1ukx s ARG 34 N -3.63 2.73 0.71 3.23 3.00 -1.26 -4.39 118.95 119.34 1ukx s ARG 34 Ca 0.52 -3.05 -0.12 0.00 0.00 0.00 0.00 55.73 53.09 1ukx s ARG 34 Cb 0.42 -3.68 0.17 0.00 0.00 0.00 0.00 34.95 31.86 1ukx s ARG 34 CO -0.01 -1.23 0.72 -0.35 0.00 0.00 0.00 175.30 174.43 1ukx n PRO 35 N 2.59 -1.82 -1.92 3.54 -0.04 -1.26 -4.93 135.00 131.16 1ukx n PRO 35 Ca 0.16 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1ukx n PRO 35 Cb 0.36 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1ukx n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ukx n ASP 36 N -3.95 -7.34 -4.41 3.54 2.03 -1.26 -4.00 116.55 101.17 1ukx n ASP 36 Ca 0.10 1.29 -0.29 0.00 0.52 0.00 0.00 54.79 56.40 1ukx n ASP 36 Cb 0.36 -3.98 0.16 0.00 -0.72 0.00 0.00 41.12 36.94 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukx s ALA 37 N -0.42 2.01 -1.01 -1.67 0.00 -1.26 -3.41 121.76 116.00 1ukx s ALA 37 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1ukx s ALA 37 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1ukx s ALA 37 CO 0.00 -2.38 0.65 -2.13 0.00 0.00 0.00 175.76 171.90 1ukx n ARG 38 N -3.80 -0.94 0.00 0.00 0.63 -1.26 -3.78 116.66 107.51 1ukx n ARG 38 Ca 0.11 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1ukx n ARG 38 Cb 0.60 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.95 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ukx n GLY 39 N -1.86 4.25 1.30 5.14 0.00 -1.26 -5.09 105.19 107.68 1ukx n GLY 39 Ca -0.21 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.28 1ukx n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukx n ARG 40 N 0.00 -3.05 -1.61 1.61 3.00 -1.22 -4.94 116.66 110.44 1ukx n ARG 40 Ca 0.00 2.49 -0.37 0.00 -0.01 0.00 0.00 57.85 59.96 1ukx n ARG 40 Cb 0.00 -3.52 0.06 0.00 0.00 0.00 0.00 32.46 29.00 1ukx n ARG 40 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1ukx n VAL 41 N -3.99 3.86 0.65 1.55 0.24 -1.26 -4.88 118.33 114.50 1ukx n VAL 41 Ca -0.08 -0.50 0.05 0.00 -2.04 0.00 0.00 64.34 61.78 1ukx n VAL 41 Cb 0.60 -1.17 0.31 0.00 -1.47 0.00 0.00 33.84 32.12 1ukx n VAL 41 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1ukx n ARG 42 N -1.19 0.32 -2.75 7.34 1.85 -1.26 -4.75 116.66 116.21 1ukx n ARG 42 Ca 0.14 0.01 -0.21 0.00 -1.00 0.00 0.00 57.85 56.79 1ukx n ARG 42 Cb 0.48 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.45 1ukx n ARG 42 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1ukx s GLU 43 N -2.04 2.21 1.06 2.89 -1.05 -1.26 -5.11 118.70 115.40 1ukx s GLU 43 Ca 0.16 -1.14 -0.12 0.00 -0.15 0.00 0.00 54.97 53.71 1ukx s GLU 43 Cb 0.07 -2.50 0.22 0.00 -0.44 0.00 0.00 34.13 31.49 1ukx s GLU 43 CO 0.13 -0.96 1.07 -2.14 0.95 0.00 0.00 175.26 174.31 1ukx s PRO 44 N -4.83 -0.07 -1.04 -4.83 0.02 -1.26 -4.94 135.00 118.05 1ukx s PRO 44 Ca 0.61 1.10 -0.23 0.00 0.02 0.00 0.00 61.00 62.50 1ukx s PRO 44 Cb -0.07 -1.63 0.04 0.00 0.02 0.00 0.00 34.50 32.85 1ukx s PRO 44 CO 0.40 -3.23 1.56 -1.25 -0.33 0.00 0.00 177.00 174.15 1ukx s PRO 45 N -4.56 3.47 0.28 5.54 0.04 -1.13 -4.97 135.00 133.66 1ukx s PRO 45 Ca 0.67 -1.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.41 1ukx s PRO 45 Cb -0.24 -5.34 -0.09 0.00 0.04 0.00 0.00 34.50 28.88 1ukx s PRO 45 CO 0.62 -2.41 0.79 -2.00 0.04 0.00 0.00 177.00 174.04 1ukx s GLU 46 N 5.20 4.28 0.17 4.56 2.12 -1.26 -4.44 118.70 129.33 1ukx s GLU 46 Ca 0.50 0.95 -0.05 0.00 0.36 0.00 0.00 54.97 56.74 1ukx s GLU 46 Cb -0.00 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1ukx s GLU 46 CO -0.06 0.29 0.20 0.96 -0.54 0.00 0.00 175.26 176.11 1ukx s ILE 47 N -1.68 0.05 0.03 -3.70 -5.25 -0.82 -1.09 121.20 108.74 1ukx s ILE 47 Ca 0.48 -1.70 0.06 0.00 -0.99 0.00 0.00 60.65 58.50 1ukx s ILE 47 Cb -0.15 -2.10 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 1ukx s ILE 47 CO 0.20 -0.25 -0.17 0.21 -1.79 0.00 0.00 174.94 173.15 1ukx s ASN 48 N -3.04 2.01 0.09 4.36 2.47 -0.35 -2.91 114.94 117.57 1ukx s ASN 48 Ca 0.25 -0.43 0.08 0.00 0.42 0.00 0.00 52.86 53.18 1ukx s ASN 48 Cb 0.05 -0.17 -0.03 0.00 -1.45 0.00 0.00 41.25 39.65 1ukx s ASN 48 CO 0.04 0.13 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.58 1ukx s LEU 49 N -0.93 2.28 -0.27 3.21 1.43 -0.08 -1.04 118.68 123.27 1ukx s LEU 49 Ca 0.05 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1ukx s LEU 49 Cb -0.08 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.33 1ukx s LEU 49 CO 0.01 0.07 -0.08 -0.69 0.23 0.00 0.00 176.35 175.89 1ukx s VAL 50 N -1.11 2.26 0.01 -1.59 1.01 -1.24 -0.82 120.40 118.92 1ukx s VAL 50 Ca 0.06 -1.70 0.07 0.00 0.00 0.00 0.00 61.98 60.41 1ukx s VAL 50 Cb -0.10 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1ukx s VAL 50 CO 0.04 -0.10 -0.21 -0.76 0.00 0.00 0.00 175.10 174.06 1ukx s LEU 51 N 1.09 2.11 0.18 3.92 1.43 -1.10 -4.88 118.68 121.43 1ukx s LEU 51 Ca -0.06 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1ukx s LEU 51 Cb -0.20 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1ukx s LEU 51 CO -0.05 0.22 -0.00 -0.31 0.23 0.00 0.00 176.35 176.44 1ukx s TYR 52 N -0.65 1.24 0.54 0.29 2.02 -1.26 -2.90 117.35 116.64 1ukx s TYR 52 Ca 0.08 -1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 55.61 1ukx s TYR 52 Cb -0.09 -0.71 -0.06 0.00 -0.40 0.00 0.00 41.96 40.71 1ukx s TYR 52 CO 0.01 -0.19 1.02 -1.25 -1.57 0.00 0.00 175.55 173.57 1ukx s PRO 53 N -3.91 3.67 0.45 -1.71 0.04 -1.26 -4.43 135.00 127.85 1ukx s PRO 53 Ca 0.24 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1ukx s PRO 53 Cb 0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ukx s PRO 53 CO 0.04 -0.52 0.00 0.94 0.04 0.00 0.00 177.00 177.51 1ukx n GLN 54 N -1.68 0.00 -1.88 4.56 7.27 -1.26 -2.90 117.38 121.50 1ukx n GLN 54 Ca 0.08 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.78 1ukx n GLN 54 Cb 0.53 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.23 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 0.00 5.71 3.15 1.69 0.00 -1.26 -4.92 105.19 109.56 1ukx n GLY 55 Ca 0.00 -2.49 -0.33 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.93 2.11 0.00 0.99 1.43 -1.14 -5.10 118.68 113.04 1ukx s LEU 56 Ca 0.54 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1ukx s LEU 56 Cb 0.45 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1ukx s LEU 56 CO -0.28 0.05 0.00 0.00 0.23 0.00 0.00 176.35 176.35 1ukx n ALA 57 N 4.29 0.00 -0.84 4.21 0.00 -1.26 -4.57 120.51 122.34 1ukx n ALA 57 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 1ukx n ALA 57 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 5.00 2.96 0.00 0.00 0.00 -1.26 -4.76 105.19 107.13 1ukx n GLY 58 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 3.20 3.84 0.00 1.61 4.07 -1.26 -5.09 120.64 127.01 1ukx n GLU 59 Ca 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1ukx n GLU 59 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ukx n GLU 60 N 0.00 0.00 -1.21 5.31 -0.58 -1.26 -5.04 120.64 117.86 1ukx n GLU 60 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1ukx n GLU 60 Cb 0.00 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1ukx n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ukx n VAL 61 N -0.03 -6.34 -0.01 2.62 0.31 -1.26 -4.99 118.33 108.64 1ukx n VAL 61 Ca 0.00 1.26 -0.06 0.00 -0.01 0.00 0.00 64.34 65.53 1ukx n VAL 61 Cb 0.00 -3.58 -0.12 0.00 -0.91 0.00 0.00 33.84 29.23 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 0.70 0.98 -3.86 3.52 4.02 -1.26 -4.92 117.16 116.34 1ukx n TYR 62 Ca 0.00 0.34 -0.12 0.00 -0.01 0.00 0.00 57.90 58.11 1ukx n TYR 62 Cb 0.00 -1.15 -0.14 0.00 -0.02 0.00 0.00 39.34 38.03 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 -2.70 0.00 0.17 -0.72 -7.23 -1.26 -2.92 120.40 105.73 1ukx s VAL 63 Ca -0.04 -0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 59.89 1ukx s VAL 63 Cb 0.08 -0.07 0.06 0.00 0.56 0.00 0.00 36.38 37.01 1ukx s VAL 63 CO 0.82 -0.00 0.85 0.00 -0.31 0.00 0.00 175.10 176.46 1ukx s GLN 64 N 0.02 1.32 0.12 4.82 1.03 -0.95 -4.27 119.66 121.75 1ukx s GLN 64 Ca -0.00 -0.69 -0.10 0.00 0.04 0.00 0.00 55.36 54.61 1ukx s GLN 64 Cb -0.00 0.48 0.00 0.00 0.03 0.00 0.00 33.01 33.52 1ukx s GLN 64 CO 0.00 -0.60 0.25 0.54 -2.54 0.00 0.00 175.29 172.94 1ukx s VAL 65 N -3.48 0.10 0.28 3.63 0.11 -1.14 -0.63 120.40 119.27 1ukx s VAL 65 Ca 0.10 -1.17 -0.19 0.00 -2.93 0.00 0.00 61.98 57.79 1ukx s VAL 65 Cb -0.03 -1.50 -0.09 0.00 -1.53 0.00 0.00 36.38 33.23 1ukx s VAL 65 CO 0.01 -0.48 0.76 -1.61 -3.33 0.00 0.00 175.10 170.46 1ukx s GLU 66 N -3.89 4.19 -0.19 1.54 2.02 -0.20 -2.71 118.70 119.46 1ukx s GLU 66 Ca 0.09 0.85 0.01 0.00 0.02 0.00 0.00 54.97 55.94 1ukx s GLU 66 Cb 0.04 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.64 1ukx s GLU 66 CO -0.07 0.26 -0.17 -1.17 0.02 0.00 0.00 175.26 174.14 1ukx s LEU 67 N -2.45 2.22 -0.17 1.80 0.20 -0.00 -1.58 118.68 118.69 1ukx s LEU 67 Ca 0.49 -0.74 -0.08 0.00 0.69 0.00 0.00 54.13 54.49 1ukx s LEU 67 Cb -0.14 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 1ukx s LEU 67 CO 0.19 -0.05 0.10 -0.60 -0.29 0.00 0.00 176.35 175.71 1ukx s ARG 68 N 1.32 3.93 -0.04 1.98 6.06 0.30 -0.90 118.95 131.60 1ukx s ARG 68 Ca 0.03 -0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 1ukx s ARG 68 Cb -0.14 -3.28 0.03 0.00 0.06 0.00 0.00 34.95 31.61 1ukx s ARG 68 CO -0.11 0.40 -0.00 0.08 -2.50 0.00 0.00 175.30 173.16 1ukx s VAL 69 N 0.05 0.23 -0.14 7.11 1.01 -1.15 -2.77 120.40 124.75 1ukx s VAL 69 Ca 0.08 0.07 0.18 0.00 0.00 0.00 0.00 61.98 62.31 1ukx s VAL 69 Cb -0.12 -0.33 -0.24 0.00 0.00 0.00 0.00 36.38 35.69 1ukx s VAL 69 CO -0.00 0.17 0.34 2.29 0.00 0.00 0.00 175.10 177.89 1ukx n LYS 70 N 4.25 0.67 -2.58 2.72 -0.00 -1.26 -1.95 118.16 120.00 1ukx n LYS 70 Ca -0.24 0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.08 1ukx n LYS 70 Cb 0.50 -1.60 -0.02 0.00 -0.00 0.00 0.00 35.03 33.91 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ukx s PRO 72 N -0.40 -0.15 0.00 0.00 0.04 -1.26 -4.43 135.00 128.80 1ukx s PRO 72 Ca -0.12 1.05 0.11 0.00 0.04 0.00 0.00 61.00 62.07 1ukx s PRO 72 Cb 0.01 -1.63 0.63 0.00 0.04 0.00 0.00 34.50 33.55 1ukx s PRO 72 CO 0.32 -3.27 1.05 -0.35 0.04 0.00 0.00 177.00 174.80 1ukx n PRO 73 N -4.62 0.41 0.00 0.56 -0.04 -1.26 -1.14 135.00 128.90 1ukx n PRO 73 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ukx n PRO 73 Cb 0.54 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.90 0.02 -1.74 0.52 -2.24 -1.26 -4.86 114.28 103.82 1ukx n THR 74 Ca 0.08 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1ukx n THR 74 Cb 0.04 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.01 2.79 1.29 4.78 4.19 -0.30 -0.15 117.16 129.76 1ukx n TYR 75 Ca 0.00 0.32 0.11 0.00 3.31 0.00 0.00 57.90 61.65 1ukx n TYR 75 Cb 0.03 -2.56 0.41 0.00 0.49 0.00 0.00 39.34 37.71 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 1.71 1.71 0.14 2.98 -0.04 -1.26 -4.79 135.00 135.45 1ukx n PRO 76 Ca 0.07 -1.06 0.11 0.00 -0.04 0.00 0.00 63.50 62.58 1ukx n PRO 76 Cb 0.37 -1.41 0.51 0.00 -0.04 0.00 0.00 33.50 32.92 1ukx n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ukx n ASP 77 N 0.29 0.59 -4.24 3.54 2.03 0.79 -3.67 116.55 115.88 1ukx n ASP 77 Ca 0.17 0.69 -0.14 0.00 0.52 0.00 0.00 54.79 56.04 1ukx n ASP 77 Cb 0.33 -0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.83 1ukx n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ukx s VAL 78 N -3.39 0.21 0.38 5.18 0.11 -1.20 -4.87 120.40 116.82 1ukx s VAL 78 Ca 0.02 -2.00 -0.26 0.00 -2.93 0.00 0.00 61.98 56.80 1ukx s VAL 78 Cb 0.08 -2.55 -0.09 0.00 -1.53 0.00 0.00 36.38 32.29 1ukx s VAL 78 CO 0.30 0.00 1.21 0.68 -3.33 0.00 0.00 175.10 173.96 1ukx s VAL 79 N -4.00 3.00 0.55 2.04 -7.23 -1.26 -4.15 120.40 109.35 1ukx s VAL 79 Ca 0.39 0.88 -0.19 0.00 -1.81 0.00 0.00 61.98 61.25 1ukx s VAL 79 Cb 0.07 -3.51 -0.05 0.00 0.56 0.00 0.00 36.38 33.44 1ukx s VAL 79 CO 0.13 0.12 1.15 -2.16 -0.31 0.00 0.00 175.10 174.02 1ukx s PRO 80 N -2.16 3.28 0.66 4.82 0.04 -1.26 -4.69 135.00 135.68 1ukx s PRO 80 Ca 0.55 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1ukx s PRO 80 Cb -0.33 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1ukx s PRO 80 CO 0.43 -0.92 1.15 -1.21 0.04 0.00 0.00 177.00 176.49 1ukx s GLU 81 N -3.29 2.69 -0.07 4.56 2.02 -1.26 -4.99 118.70 118.36 1ukx s GLU 81 Ca 0.74 1.59 -0.01 0.00 0.02 0.00 0.00 54.97 57.31 1ukx s GLU 81 Cb -0.25 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1ukx s GLU 81 CO 0.28 -1.37 -0.02 0.42 0.02 0.00 0.00 175.26 174.59 1ukx s ILE 82 N -2.06 0.49 -0.05 -1.63 1.01 -1.26 -4.25 121.20 113.45 1ukx s ILE 82 Ca 0.71 0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.39 1ukx s ILE 82 Cb -0.25 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1ukx s ILE 82 CO 0.40 0.26 -0.10 -1.81 0.00 0.00 0.00 174.94 173.69 1ukx s ASP 83 N 1.61 1.46 -0.29 3.58 1.01 -1.12 -5.01 116.67 117.91 1ukx s ASP 83 Ca -0.00 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.99 1ukx s ASP 83 Cb -0.13 -0.62 0.04 0.00 1.01 0.00 0.00 42.92 43.22 1ukx s ASP 83 CO -0.04 0.02 0.01 -0.76 0.21 0.00 0.00 175.17 174.62 1ukx s LEU 84 N 0.60 3.78 0.33 1.23 1.02 -1.26 -0.54 118.68 123.84 1ukx s LEU 84 Ca -0.11 -1.07 0.09 0.00 0.02 0.00 0.00 54.13 53.07 1ukx s LEU 84 Cb -0.14 -1.75 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1ukx s LEU 84 CO 0.02 -0.23 -0.02 -0.54 0.02 0.00 0.00 176.35 175.60 1ukx s LYS 85 N 1.33 2.02 -1.56 1.70 -0.14 -0.61 -4.79 119.74 117.69 1ukx s LYS 85 Ca -0.02 -1.76 -0.12 0.00 -1.36 0.00 0.00 55.97 52.70 1ukx s LYS 85 Cb -0.19 -1.89 0.09 0.00 -1.68 0.00 0.00 37.83 34.16 1ukx s LYS 85 CO -0.01 0.16 0.79 0.09 -0.76 0.00 0.00 175.35 175.62 1ukx n ASN 86 N -0.90 -3.16 -4.77 2.83 3.02 -1.26 -1.03 115.26 109.99 1ukx n ASN 86 Ca -0.04 -0.91 -0.40 0.00 -0.03 0.00 0.00 54.58 53.20 1ukx n ASN 86 Cb 0.62 -3.33 -0.02 0.00 -0.61 0.00 0.00 39.78 36.44 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 -3.44 3.39 0.14 5.41 0.00 -1.26 -4.39 121.76 121.60 1ukx s ALA 87 Ca 0.52 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.75 1ukx s ALA 87 Cb -0.27 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1ukx s ALA 87 CO 0.88 -0.60 -0.18 0.15 0.00 0.00 0.00 175.76 176.01 1ukx s LYS 88 N -1.90 1.79 0.00 0.00 1.02 0.20 -3.42 119.74 117.42 1ukx s LYS 88 Ca 0.51 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1ukx s LYS 88 Cb -0.37 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1ukx s LYS 88 CO 0.49 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.79 1ukx n GLY 89 N 0.62 0.57 0.17 -3.33 0.00 -1.15 -2.25 105.19 99.82 1ukx n GLY 89 Ca -0.15 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1ukx n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 90 N 0.00 0.00 0.00 0.99 3.38 -1.85 -3.48 115.31 114.35 1ukx h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ukx h LEU 90 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ukx h LEU 90 CO 0.00 0.34 0.00 -0.24 0.09 0.00 0.00 178.44 178.63 1ukx n SER 91 N -3.19 0.00 0.00 -0.43 2.88 -1.22 -0.52 113.62 111.14 1ukx n SER 91 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ukx n SER 91 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.63 0.00 0.00 -3.46 4.13 -1.26 -4.06 115.26 111.24 1ukx n ASN 92 Ca 0.00 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1ukx n ASN 92 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ukx n ASN 92 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ukx n GLU 93 N 0.00 0.00 0.00 3.52 2.13 0.32 -3.66 120.64 122.94 1ukx n GLU 93 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1ukx n GLU 93 Cb 0.39 -0.58 0.44 0.00 0.27 0.00 0.00 31.44 31.97 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 -0.23 0.00 -0.36 4.31 3.41 -1.26 -1.90 113.62 117.58 1ukx n SER 94 Ca 0.00 0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.79 1ukx n SER 94 Cb 0.00 -0.31 0.26 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.88 -0.94 -3.33 2.07 -1.87 -0.55 116.25 112.51 1ukx h VAL 95 Ca 0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1ukx h VAL 95 Cb 0.19 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.75 1ukx h VAL 95 CO 0.00 0.17 0.61 0.78 0.02 0.00 0.00 177.57 179.16 1ukx h ASN 96 N 0.96 1.01 0.54 0.57 2.35 -1.45 0.10 115.58 119.66 1ukx h ASN 96 Ca 0.51 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.22 1ukx h ASN 96 Cb 0.56 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.70 1ukx h ASN 96 CO -0.28 0.69 -0.26 0.25 -1.65 0.00 0.00 177.43 176.18 1ukx h LEU 97 N 1.17 -0.61 -0.91 1.61 6.46 -1.34 -2.84 115.31 118.85 1ukx h LEU 97 Ca 0.37 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.18 1ukx h LEU 97 Cb 0.02 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1ukx h LEU 97 CO -0.11 -0.25 0.60 0.25 -0.62 0.00 0.00 178.44 178.30 1ukx h LEU 98 N -1.10 1.01 -0.41 2.25 5.85 -1.10 0.14 115.31 121.96 1ukx h LEU 98 Ca -0.07 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ukx h LEU 98 Cb 0.55 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ukx h LEU 98 CO 0.12 0.71 0.27 0.50 -0.34 0.00 0.00 178.44 179.70 1ukx h LYS 99 N 1.19 0.53 -0.80 1.25 3.64 -1.07 0.58 116.57 121.89 1ukx h LYS 99 Ca 0.35 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1ukx h LYS 99 Cb -0.06 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1ukx h LYS 99 CO -0.10 0.35 0.52 1.03 -2.27 0.00 0.00 179.45 178.98 1ukx h SER 100 N 0.54 0.89 -0.28 4.20 0.87 -0.98 -0.05 113.55 118.75 1ukx h SER 100 Ca 0.15 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1ukx h SER 100 Cb -0.05 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1ukx h SER 100 CO -0.04 0.64 -0.28 0.45 -0.53 0.00 0.00 176.83 177.07 1ukx h HIS 101 N 1.05 0.90 -0.41 2.24 3.86 -0.34 -1.91 115.15 120.54 1ukx h HIS 101 Ca 0.30 -0.22 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 1ukx h HIS 101 Cb -0.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1ukx h HIS 101 CO -0.02 0.97 -0.34 -0.07 0.86 0.00 0.00 177.93 179.32 1ukx h LEU 102 N 0.67 1.00 -1.38 2.43 3.38 -0.65 0.05 115.31 120.81 1ukx h LEU 102 Ca 0.08 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.69 1ukx h LEU 102 Cb 0.80 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1ukx h LEU 102 CO 0.07 1.24 0.48 -0.33 0.09 0.00 0.00 178.44 179.99 1ukx h GLU 103 N 0.79 0.71 0.07 1.13 5.08 -0.73 -0.43 114.58 121.20 1ukx h GLU 103 Ca 0.07 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1ukx h GLU 103 Cb 0.93 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1ukx h GLU 103 CO 0.09 0.47 -1.11 1.05 -1.00 0.00 0.00 179.01 178.51 1ukx h GLU 104 N 0.74 0.16 -0.80 2.33 4.11 -1.07 -3.27 114.58 116.78 1ukx h GLU 104 Ca 0.32 -0.27 0.19 0.00 0.07 0.00 0.00 59.36 59.67 1ukx h GLU 104 Cb 0.31 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.54 1ukx h GLU 104 CO -0.11 1.13 0.20 1.25 0.07 0.00 0.00 179.01 181.55 1ukx h LEU 105 N -0.57 0.01 -0.48 3.06 5.85 -0.98 -1.04 115.31 121.15 1ukx h LEU 105 Ca -0.25 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1ukx h LEU 105 Cb 1.53 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.72 1ukx h LEU 105 CO -0.00 -0.08 0.13 0.00 -0.34 0.00 0.00 178.44 178.15 1ukx h ALA 106 N 1.68 0.56 -0.45 1.25 0.00 -1.15 -0.08 119.26 121.07 1ukx h ALA 106 Ca 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1ukx h ALA 106 Cb 0.85 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ukx h ALA 106 CO -0.57 -0.27 0.15 0.87 0.00 0.00 0.00 179.25 179.43 1ukx h LYS 107 N 0.28 0.65 0.00 0.00 6.56 -1.26 -0.60 116.57 122.20 1ukx h LYS 107 Ca 0.24 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1ukx h LYS 107 Cb 0.29 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1ukx h LYS 107 CO -0.28 0.56 0.00 1.63 -2.06 0.00 0.00 179.45 179.30 1ukx n LYS 108 N -4.34 0.01 -0.00 3.15 5.02 -0.33 -3.12 118.16 118.55 1ukx n LYS 108 Ca 0.03 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1ukx n LYS 108 Cb 0.17 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1ukx n LYS 108 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ukx n GLN 109 N -1.54 -0.16 -1.48 1.97 1.13 -0.19 -5.04 117.38 112.06 1ukx n GLN 109 Ca 0.06 -0.83 -0.36 0.00 -1.94 0.00 0.00 57.00 53.93 1ukx n GLN 109 Cb 0.31 -1.09 0.08 0.00 0.11 0.00 0.00 30.24 29.65 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 0.96 2.49 0.14 0.00 0.00 -1.24 -5.06 105.19 102.48 1ukx n GLY 111 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.63 0.04 -2.39 1.61 0.28 -1.22 -4.94 120.64 113.39 1ukx n GLU 112 Ca 0.00 -0.10 -0.37 0.00 -0.16 0.00 0.00 57.16 56.54 1ukx n GLU 112 Cb 0.00 0.11 -0.03 0.00 1.43 0.00 0.00 31.44 32.95 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 -2.75 3.83 -0.77 3.84 -7.23 -1.26 -4.81 120.40 111.26 1ukx s VAL 113 Ca 0.01 -1.07 0.26 0.00 -1.81 0.00 0.00 61.98 59.37 1ukx s VAL 113 Cb -0.00 -4.83 0.27 0.00 0.56 0.00 0.00 36.38 32.37 1ukx s VAL 113 CO 0.01 -1.63 1.77 1.15 -0.31 0.00 0.00 175.10 176.09 1ukx n MET 114 N 8.63 0.23 -0.33 4.82 0.00 -1.26 -4.22 117.12 124.99 1ukx n MET 114 Ca 0.41 0.18 0.09 0.00 0.00 0.00 0.00 57.70 58.38 1ukx n MET 114 Cb 0.48 -1.76 0.29 0.00 0.00 0.00 0.00 33.22 32.23 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 0.88 -0.71 3.17 2.04 -1.97 0.36 117.51 121.28 1ukx h ILE 115 Ca 0.00 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ukx h ILE 115 Cb 0.70 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1ukx h ILE 115 CO 0.00 0.16 0.43 -0.26 0.00 0.00 0.00 178.15 178.48 1ukx h PHE 116 N 0.89 0.93 -0.54 1.37 0.04 -2.01 -1.28 116.94 116.35 1ukx h PHE 116 Ca 0.48 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.22 1ukx h PHE 116 Cb 0.58 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1ukx h PHE 116 CO -0.00 0.62 0.19 1.49 -0.60 0.00 0.00 178.31 180.01 1ukx h GLU 117 N 0.98 0.82 0.10 1.51 4.22 -1.23 -1.22 114.58 119.77 1ukx h GLU 117 Ca 0.26 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 1ukx h GLU 117 Cb -0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1ukx h GLU 117 CO -0.05 0.74 -0.05 -0.07 -2.18 0.00 0.00 179.01 177.40 1ukx h LEU 118 N 0.74 -0.11 -0.39 1.64 3.38 -0.90 0.92 115.31 120.59 1ukx h LEU 118 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ukx h LEU 118 Cb 0.24 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ukx h LEU 118 CO -0.01 -0.07 0.26 0.00 0.09 0.00 0.00 178.44 178.71 1ukx h ALA 119 N 0.75 0.50 -0.24 1.53 0.00 -1.31 -1.25 119.26 119.24 1ukx h ALA 119 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ukx h ALA 119 Cb 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1ukx h ALA 119 CO 0.02 -0.04 -0.24 0.45 0.00 0.00 0.00 179.25 179.45 1ukx h HIS 120 N 0.53 -0.63 -0.82 0.00 3.86 -0.83 -2.26 115.15 115.00 1ukx h HIS 120 Ca 0.14 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1ukx h HIS 120 Cb -0.05 0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 1ukx h HIS 120 CO -0.05 -0.32 0.42 1.25 0.86 0.00 0.00 177.93 180.10 1ukx h HIS 121 N -0.25 1.15 -0.31 2.45 6.17 -0.54 -1.29 115.15 122.53 1ukx h HIS 121 Ca 0.14 -0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.22 1ukx h HIS 121 Cb 0.45 -0.36 -0.04 0.00 2.52 0.00 0.00 27.41 29.98 1ukx h HIS 121 CO -0.39 0.82 0.06 0.28 0.71 0.00 0.00 177.93 179.41 1ukx h VAL 122 N 1.16 0.85 -0.18 5.26 2.07 -0.88 0.10 116.25 124.62 1ukx h VAL 122 Ca 0.29 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1ukx h VAL 122 Cb 0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ukx h VAL 122 CO -0.04 0.03 0.12 1.56 0.02 0.00 0.00 177.57 179.26 1ukx h GLN 123 N 0.17 0.24 0.00 1.57 4.20 -0.76 0.68 115.11 121.21 1ukx h GLN 123 Ca 0.15 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1ukx h GLN 123 Cb 0.16 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1ukx h GLN 123 CO -0.20 0.16 -0.08 1.03 -0.67 0.00 0.00 178.83 179.07 1ukx h SER 124 N 0.24 0.00 0.15 1.46 0.87 -0.96 -1.98 113.55 113.34 1ukx h SER 124 Ca 0.07 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.35 1ukx h SER 124 Cb -0.02 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ukx h SER 124 CO -0.02 0.08 -1.34 0.15 -0.53 0.00 0.00 176.83 175.17 1ukx h PHE 125 N 0.00 0.57 -0.75 2.24 3.57 -0.47 -3.30 116.94 118.81 1ukx h PHE 125 Ca -0.00 -0.42 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1ukx h PHE 125 Cb 0.41 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1ukx h PHE 125 CO 0.00 1.52 0.49 -0.07 -2.23 0.00 0.00 178.31 178.02 1ukx h LEU 126 N -0.20 0.85 -0.93 0.59 3.38 -0.29 -0.26 115.31 118.45 1ukx h LEU 126 Ca -0.27 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ukx h LEU 126 Cb 1.84 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.33 1ukx h LEU 126 CO 0.12 0.61 0.58 0.77 0.09 0.00 0.00 178.44 180.62 1ukx h SER 127 N 1.00 1.11 -0.54 -0.43 4.64 -1.55 -0.59 113.55 117.19 1ukx h SER 127 Ca 0.28 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1ukx h SER 127 Cb -0.11 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.66 1ukx h SER 127 CO -0.06 0.84 0.29 -0.08 -0.87 0.00 0.00 176.83 176.94 1ukx h GLU 128 N 1.28 0.54 0.00 4.77 4.22 -1.44 -1.61 114.58 122.34 1ukx h GLU 128 Ca 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1ukx h GLU 128 Cb -0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1ukx h GLU 128 CO -0.07 0.36 0.00 0.72 -2.18 0.00 0.00 179.01 177.84 1ukx n HIS 129 N -4.85 0.00 -3.31 0.92 8.25 -0.18 -4.81 115.22 111.24 1ukx n HIS 129 Ca 0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.33 1ukx n HIS 129 Cb 0.13 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.47 5.69 -0.01 0.41 2.47 -0.27 -4.95 114.94 115.81 1ukx s ASN 130 Ca 0.28 -0.37 -0.04 0.00 0.42 0.00 0.00 52.86 53.15 1ukx s ASN 130 Cb 0.18 -0.90 -0.00 0.00 -1.45 0.00 0.00 41.25 39.08 1ukx s ASN 130 CO 0.39 -0.59 0.09 -0.54 -3.72 0.00 0.00 177.10 172.73 1ukx s LYS 131 N -4.23 0.33 2.14 0.43 -0.14 -1.26 -4.93 119.74 112.08 1ukx s LYS 131 Ca 0.49 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1ukx s LYS 131 Cb -0.09 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 1ukx s LYS 131 CO 0.31 -0.07 0.00 0.43 -0.76 0.00 0.00 175.35 175.26 1ukx n SER 132 N 1.96 0.00 0.00 2.83 7.64 -1.26 -4.93 113.62 119.87 1ukx n SER 132 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1ukx n SER 132 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.00 -0.04 3.55 0.23 0.00 -1.26 -5.08 105.19 102.59 1ukx n GLY 133 Ca 0.00 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 2.97 -0.29 1.61 0.04 -1.26 -4.88 135.00 133.20 1ukx s PRO 134 Ca 0.00 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.08 1ukx s PRO 134 Cb 0.00 -4.39 0.17 0.00 0.04 0.00 0.00 34.50 30.32 1ukx s PRO 134 CO 0.00 -2.44 0.48 -1.54 0.04 0.00 0.00 177.00 173.54 1ukx s SER 135 N 5.69 -0.43 -0.13 6.66 1.04 -1.26 -5.11 113.70 120.16 1ukx s SER 135 Ca 0.50 -0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.80 1ukx s SER 135 Cb -0.09 1.49 0.06 0.00 0.10 0.00 0.00 66.02 67.58 1ukx s SER 135 CO 0.14 -0.33 0.30 -0.55 0.98 0.00 0.00 173.24 173.79 1ukx s SER 136 N 2.66 -0.21 0.00 7.02 0.15 -1.26 -5.21 113.70 116.86 1ukx s SER 136 Ca 0.11 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1ukx s SER 136 Cb -0.12 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1ukx s SER 136 CO -0.27 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.59