#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 -1.38 -3.38 1.61 2.88 -1.26 -4.96 113.62 107.13 1ukx n SER 2 Ca 0.00 -1.11 -0.17 0.00 -1.33 0.00 0.00 58.87 56.26 1ukx n SER 2 Cb 0.00 -2.59 -0.09 0.00 -0.75 0.00 0.00 64.21 60.78 1ukx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ukx s SER 3 N -4.11 1.40 0.00 -3.46 0.01 -1.26 -5.13 113.70 101.15 1ukx s SER 3 Ca 0.15 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1ukx s SER 3 Cb -0.07 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1ukx s SER 3 CO 0.92 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1ukx n GLY 4 N 4.87 3.00 3.75 3.44 0.00 -1.26 -5.16 105.19 113.83 1ukx n GLY 4 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 4.22 0.98 1.61 0.01 -1.26 -5.05 113.70 114.20 1ukx s SER 5 Ca 0.00 1.90 -0.12 0.00 1.31 0.00 0.00 55.95 59.04 1ukx s SER 5 Cb 0.00 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.87 1ukx s SER 5 CO 0.00 -2.23 1.09 -0.94 0.41 0.00 0.00 173.24 171.56 1ukx s SER 6 N -3.24 2.75 0.00 2.44 1.04 -1.26 -4.93 113.70 110.50 1ukx s SER 6 Ca 0.62 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1ukx s SER 6 Cb -0.18 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1ukx s SER 6 CO 0.56 -3.08 0.00 0.61 0.98 0.00 0.00 173.24 172.31 1ukx n GLY 7 N -0.77 0.00 3.31 7.32 0.00 -1.26 -5.17 105.19 108.62 1ukx n GLY 7 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1ukx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ukx s MET 8 N 0.00 1.86 0.25 1.61 -2.45 -1.26 -5.04 119.30 114.27 1ukx s MET 8 Ca 0.00 -0.98 0.12 0.00 -1.25 0.00 0.00 55.69 53.58 1ukx s MET 8 Cb 0.00 -1.91 0.20 0.00 1.25 0.00 0.00 34.83 34.37 1ukx s MET 8 CO 0.00 0.51 1.51 0.93 1.05 0.00 0.00 175.02 179.02 1ukx h GLU 9 N 5.16 0.00 -6.26 4.11 5.08 -2.03 -3.42 114.58 117.23 1ukx h GLU 9 Ca -0.44 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.37 1ukx h GLU 9 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1ukx h GLU 9 CO 0.45 0.66 1.10 0.45 -1.00 0.00 0.00 179.01 180.67 1ukx s SER 10 N -6.64 6.61 -0.06 1.42 0.15 -1.26 -4.82 113.70 109.10 1ukx s SER 10 Ca 0.01 2.12 0.11 0.00 0.70 0.00 0.00 55.95 58.89 1ukx s SER 10 Cb 0.11 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.71 1ukx s SER 10 CO 0.76 -0.99 0.16 -1.22 1.20 0.00 0.00 173.24 173.15 1ukx n TYR 11 N 7.41 0.00 -0.14 3.44 4.01 -1.26 -4.74 117.16 125.87 1ukx n TYR 11 Ca 0.18 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.86 1ukx n TYR 11 Cb 0.43 -0.42 0.12 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.85 0.32 7.72 0.02 -1.88 -0.23 113.55 120.36 1ukx h SER 12 Ca -0.15 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1ukx h SER 12 Cb 1.11 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1ukx h SER 12 CO 0.01 0.92 -0.16 1.56 -1.14 0.00 0.00 176.83 178.02 1ukx h GLN 13 N 0.82 -0.42 -0.74 3.45 4.20 -1.99 -0.54 115.11 119.89 1ukx h GLN 13 Ca 0.15 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1ukx h GLN 13 Cb 0.49 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1ukx h GLN 13 CO 0.02 -0.26 0.44 0.00 -0.67 0.00 0.00 178.83 178.36 1ukx h ARG 14 N -0.46 0.78 0.56 1.46 3.08 -1.80 0.31 114.38 118.30 1ukx h ARG 14 Ca -0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ukx h ARG 14 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ukx h ARG 14 CO 0.07 0.52 -0.35 1.96 -1.07 0.00 0.00 179.97 181.10 1ukx h GLN 15 N 0.81 -0.83 -0.41 0.04 4.20 -0.84 -1.21 115.11 116.88 1ukx h GLN 15 Ca 0.32 0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 1ukx h GLN 15 Cb 0.16 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1ukx h GLN 15 CO -0.17 -0.55 0.18 0.22 -0.67 0.00 0.00 178.83 177.83 1ukx h ASP 16 N -0.86 0.51 -0.13 1.46 3.58 -0.69 -0.67 116.42 119.62 1ukx h ASP 16 Ca -0.07 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1ukx h ASP 16 Cb 0.70 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1ukx h ASP 16 CO 0.06 0.45 0.04 0.45 -2.88 0.00 0.00 179.24 177.37 1ukx h HIS 17 N 0.57 0.08 -0.42 0.28 3.86 -0.23 -0.52 115.15 118.77 1ukx h HIS 17 Ca 0.14 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 1ukx h HIS 17 Cb 0.09 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1ukx h HIS 17 CO 0.00 0.04 -0.19 1.49 0.86 0.00 0.00 177.93 180.14 1ukx h GLU 18 N 0.11 0.88 0.12 2.45 4.57 -0.46 -1.23 114.58 121.01 1ukx h GLU 18 Ca 0.05 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ukx h GLU 18 Cb 0.03 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1ukx h GLU 18 CO -0.05 1.02 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.62 1ukx h LEU 19 N 0.70 -0.28 -0.94 1.64 3.38 -0.96 0.18 115.31 119.04 1ukx h LEU 19 Ca 0.10 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ukx h LEU 19 Cb 0.75 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1ukx h LEU 19 CO 0.06 -0.17 0.33 1.56 0.09 0.00 0.00 178.44 180.31 1ukx h GLN 20 N -0.24 1.10 0.00 1.13 4.20 -1.10 -1.09 115.11 119.11 1ukx h GLN 20 Ca 0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1ukx h GLN 20 Cb 0.23 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1ukx h GLN 20 CO -0.02 0.87 -0.25 0.00 -0.67 0.00 0.00 178.83 178.76 1ukx h ALA 21 N 1.28 1.23 0.04 3.87 0.00 -0.70 -2.35 119.26 122.63 1ukx h ALA 21 Ca 0.26 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1ukx h ALA 21 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ukx h ALA 21 CO -0.03 0.31 -1.06 -0.07 0.00 0.00 0.00 179.25 178.41 1ukx h LEU 22 N 0.00 0.15 -1.77 0.00 3.38 0.08 -1.50 115.31 115.65 1ukx h LEU 22 Ca -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ukx h LEU 22 Cb 0.58 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ukx h LEU 22 CO 0.03 1.11 -0.14 -0.08 0.09 0.00 0.00 178.44 179.44 1ukx h GLU 23 N 0.03 0.00 0.00 1.13 4.81 -0.91 -0.31 114.58 119.34 1ukx h GLU 23 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ukx h GLU 23 Cb 1.80 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.18 1ukx h GLU 23 CO 0.15 0.14 -0.05 0.00 -0.73 0.00 0.00 179.01 178.53 1ukx h ALA 24 N 1.86 0.01 -0.07 2.92 0.00 -1.30 -3.01 119.26 119.66 1ukx h ALA 24 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ukx h ALA 24 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ukx h ALA 24 CO 0.02 0.03 -0.03 0.82 0.00 0.00 0.00 179.25 180.09 1ukx h ILE 25 N -1.00 1.31 0.00 0.00 1.08 -1.12 -3.35 117.51 114.43 1ukx h ILE 25 Ca -0.01 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1ukx h ILE 25 Cb 0.59 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1ukx h ILE 25 CO -0.01 0.28 -1.78 -1.22 -0.69 0.00 0.00 178.15 174.73 1ukx n TYR 26 N -4.78 0.00 0.00 1.37 4.01 -0.14 -5.01 117.16 112.61 1ukx n TYR 26 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1ukx n TYR 26 Cb 0.24 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 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 1.39 1.09 0.36 2.72 0.00 -1.14 -1.55 105.19 108.06 1ukx n GLY 27 Ca -0.03 0.58 0.09 0.00 0.00 0.00 0.00 46.02 46.67 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 0.66 0.89 1.61 0.02 -1.94 -3.07 113.55 111.72 1ukx h SER 28 Ca 0.00 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1ukx h SER 28 Cb 0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1ukx h SER 28 CO 0.00 0.38 -0.64 0.44 -1.14 0.00 0.00 176.83 175.87 1ukx h ASP 29 N 0.72 0.00 -3.24 3.07 3.32 -1.62 -3.41 116.42 115.26 1ukx h ASP 29 Ca 0.38 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.87 1ukx h ASP 29 Cb 0.49 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1ukx h ASP 29 CO -0.15 0.64 0.59 0.12 -1.72 0.00 0.00 179.24 178.72 1ukx s PHE 30 N -3.29 3.49 -0.21 4.55 5.36 -1.16 -2.15 117.98 124.56 1ukx s PHE 30 Ca 0.00 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1ukx s PHE 30 Cb 0.11 -3.19 0.05 0.00 -0.34 0.00 0.00 43.02 39.65 1ukx s PHE 30 CO 0.76 -0.26 -0.06 -1.14 -1.46 0.00 0.00 175.22 173.06 1ukx s GLN 31 N 2.17 1.59 0.48 10.12 2.00 0.03 -4.87 119.66 131.18 1ukx s GLN 31 Ca 0.47 -0.83 -0.23 0.00 -2.00 0.00 0.00 55.36 52.77 1ukx s GLN 31 Cb -0.18 -2.41 -0.07 0.00 0.80 0.00 0.00 33.01 31.16 1ukx s GLN 31 CO 0.16 -0.54 1.28 0.16 -0.50 0.00 0.00 175.29 175.85 1ukx s ASP 32 N 1.48 5.85 0.00 6.67 -4.77 -1.26 -0.48 116.67 124.15 1ukx s ASP 32 Ca -0.03 2.58 0.00 0.00 -3.30 0.00 0.00 52.55 51.79 1ukx s ASP 32 Cb -0.18 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 1ukx s ASP 32 CO -0.07 -1.16 0.00 0.18 0.70 0.00 0.00 175.17 174.82 1ukx n LEU 33 N -0.55 0.78 -4.71 2.11 4.77 0.03 -4.85 117.00 114.58 1ukx n LEU 33 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1ukx n LEU 33 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1ukx n LEU 33 CO 0.52 0.13 1.07 -0.13 -1.33 0.00 0.00 177.39 177.65 1ukx s ARG 34 N -1.75 4.31 0.19 3.23 1.81 -1.09 -4.93 118.95 120.73 1ukx s ARG 34 Ca 0.00 2.06 -0.03 0.00 -1.72 0.00 0.00 55.73 56.04 1ukx s ARG 34 Cb 0.00 -3.32 0.04 0.00 -0.45 0.00 0.00 34.95 31.23 1ukx s ARG 34 CO 0.00 -0.46 0.26 -0.35 -0.68 0.00 0.00 175.30 174.07 1ukx n PRO 35 N 4.23 -0.12 -1.45 3.54 -0.04 -1.26 -4.94 135.00 134.96 1ukx n PRO 35 Ca 0.12 -0.45 -0.46 0.00 -0.04 0.00 0.00 63.50 62.66 1ukx n PRO 35 Cb 0.43 -0.25 -0.02 0.00 -0.04 0.00 0.00 33.50 33.61 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 -3.14 -0.57 -3.52 3.54 2.03 -1.26 -5.04 116.55 108.58 1ukx n ASP 36 Ca 0.03 1.11 -0.12 0.00 0.52 0.00 0.00 54.79 56.33 1ukx n ASP 36 Cb 0.12 -1.06 -0.04 0.00 -0.72 0.00 0.00 41.12 39.42 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 -1.09 -1.82 0.32 -1.67 0.00 -1.26 -5.20 121.76 111.04 1ukx s ALA 37 Ca 0.62 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.74 1ukx s ALA 37 Cb -0.82 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ukx s ALA 37 CO 0.58 -0.50 0.47 1.03 0.00 0.00 0.00 175.76 177.33 1ukx s ARG 38 N -2.10 1.82 0.00 0.00 0.52 -1.26 -5.01 118.95 112.91 1ukx s ARG 38 Ca -0.01 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 1ukx s ARG 38 Cb -0.01 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.91 1ukx s ARG 38 CO -0.02 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 174.96 1ukx n GLY 39 N -0.51 1.19 3.79 -3.53 0.00 -1.26 -4.88 105.19 100.00 1ukx n GLY 39 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1ukx n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukx s ARG 40 N 0.00 0.37 0.89 1.61 0.52 -1.26 -5.06 118.95 116.02 1ukx s ARG 40 Ca 0.00 -0.05 -0.13 0.00 -0.52 0.00 0.00 55.73 55.03 1ukx s ARG 40 Cb 0.00 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.75 1ukx s ARG 40 CO 0.00 -2.66 0.71 1.33 0.02 0.00 0.00 175.30 174.70 1ukx n VAL 41 N -4.02 0.53 -0.51 3.52 0.24 -1.26 -5.02 118.33 111.82 1ukx n VAL 41 Ca 0.11 -0.17 -0.24 0.00 -2.04 0.00 0.00 64.34 62.00 1ukx n VAL 41 Cb 0.59 -0.81 0.22 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.40 -3.63 -3.75 7.34 -4.01 -1.26 -4.97 116.66 103.98 1ukx n ARG 42 Ca 0.09 -1.26 -0.10 0.00 -1.04 0.00 0.00 57.85 55.54 1ukx n ARG 42 Cb 0.52 -1.42 -0.06 0.00 -3.04 0.00 0.00 32.46 28.46 1ukx n ARG 42 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1ukx s GLU 43 N -4.79 0.92 0.12 2.89 2.02 -1.26 -5.14 118.70 113.46 1ukx s GLU 43 Ca 0.55 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 1ukx s GLU 43 Cb -0.08 0.39 -0.10 0.00 0.10 0.00 0.00 34.13 34.44 1ukx s GLU 43 CO 0.44 -0.32 1.86 -1.25 0.02 0.00 0.00 175.26 176.00 1ukx s PRO 44 N -3.59 4.13 -0.99 0.39 0.04 -1.26 -4.88 135.00 128.84 1ukx s PRO 44 Ca 0.02 2.62 -0.23 0.00 0.04 0.00 0.00 61.00 63.44 1ukx s PRO 44 Cb 0.03 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 1ukx s PRO 44 CO -0.10 -0.86 1.76 -1.25 0.04 0.00 0.00 177.00 176.58 1ukx s PRO 45 N 2.92 3.00 0.36 0.56 0.04 -1.06 -4.80 135.00 136.02 1ukx s PRO 45 Ca 0.82 -0.75 -0.26 0.00 0.04 0.00 0.00 61.00 60.86 1ukx s PRO 45 Cb -0.46 -5.21 -0.09 0.00 0.04 0.00 0.00 34.50 28.78 1ukx s PRO 45 CO 0.37 -2.94 1.04 -2.00 0.04 0.00 0.00 177.00 173.51 1ukx s GLU 46 N 6.09 4.34 0.15 4.56 2.12 -1.22 -4.29 118.70 130.44 1ukx s GLU 46 Ca 0.60 1.55 -0.04 0.00 0.36 0.00 0.00 54.97 57.45 1ukx s GLU 46 Cb -0.03 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1ukx s GLU 46 CO -0.03 0.01 0.14 0.96 -0.54 0.00 0.00 175.26 175.81 1ukx s ILE 47 N -1.53 0.08 0.05 -3.70 -5.25 -0.47 -0.79 121.20 109.59 1ukx s ILE 47 Ca 0.53 -1.73 0.07 0.00 -0.99 0.00 0.00 60.65 58.53 1ukx s ILE 47 Cb -0.24 -2.00 -0.03 0.00 2.95 0.00 0.00 42.46 43.15 1ukx s ILE 47 CO 0.30 -0.38 -0.19 0.21 -1.79 0.00 0.00 174.94 173.09 1ukx s ASN 48 N -3.03 2.32 0.19 4.36 2.47 0.36 -2.66 114.94 118.95 1ukx s ASN 48 Ca 0.22 -0.53 0.08 0.00 0.42 0.00 0.00 52.86 53.05 1ukx s ASN 48 Cb 0.06 -0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 39.64 1ukx s ASN 48 CO 0.02 0.12 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.59 1ukx s LEU 49 N -1.28 2.49 -0.05 3.21 1.43 0.31 -0.79 118.68 123.99 1ukx s LEU 49 Ca 0.06 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1ukx s LEU 49 Cb -0.09 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1ukx s LEU 49 CO 0.02 -0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 175.68 1ukx s VAL 50 N -2.40 2.99 0.01 -1.59 1.01 -0.91 -1.28 120.40 118.22 1ukx s VAL 50 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1ukx s VAL 50 Cb -0.04 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1ukx s VAL 50 CO 0.07 0.59 -0.03 -0.76 0.00 0.00 0.00 175.10 174.97 1ukx s LEU 51 N -0.64 2.14 0.44 3.92 1.43 -1.21 -4.86 118.68 119.91 1ukx s LEU 51 Ca 0.10 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1ukx s LEU 51 Cb -0.11 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 1ukx s LEU 51 CO 0.01 -0.16 0.07 -0.31 0.23 0.00 0.00 176.35 176.19 1ukx s TYR 52 N -0.85 2.34 0.77 0.29 2.02 -1.26 -3.62 117.35 117.04 1ukx s TYR 52 Ca -0.08 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 55.78 1ukx s TYR 52 Cb -0.06 -1.80 0.05 0.00 -0.40 0.00 0.00 41.96 39.76 1ukx s TYR 52 CO -0.00 0.28 1.09 -1.25 -1.57 0.00 0.00 175.55 174.10 1ukx s PRO 53 N -3.83 2.35 0.95 -1.71 0.04 -1.26 -4.64 135.00 126.90 1ukx s PRO 53 Ca 0.30 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.87 1ukx s PRO 53 Cb 0.06 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.81 1ukx s PRO 53 CO 0.16 -1.43 1.13 1.14 0.04 0.00 0.00 177.00 178.04 1ukx s GLN 54 N -5.18 0.77 0.00 4.56 1.03 -1.26 -3.89 119.66 115.68 1ukx s GLN 54 Ca 0.60 1.45 0.00 0.00 0.04 0.00 0.00 55.36 57.45 1ukx s GLN 54 Cb -0.14 -1.71 0.00 0.00 0.03 0.00 0.00 33.01 31.20 1ukx s GLN 54 CO 0.54 -2.77 0.00 0.41 -2.54 0.00 0.00 175.29 170.93 1ukx n GLY 55 N 0.27 2.25 1.66 2.60 0.00 -1.26 -4.70 105.19 106.00 1ukx n GLY 55 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ukx n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 56 N 0.00 3.88 -4.49 0.99 4.77 -1.25 -4.91 117.00 115.99 1ukx n LEU 56 Ca 0.00 -1.78 -0.46 0.00 -0.03 0.00 0.00 56.01 53.74 1ukx n LEU 56 Cb 0.00 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1ukx n LEU 56 CO 0.00 0.75 1.89 0.00 -1.33 0.00 0.00 177.39 178.70 1ukx n ALA 57 N 1.68 1.03 -0.79 -1.18 0.00 -1.26 -1.52 120.51 118.47 1ukx n ALA 57 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ukx n ALA 57 Cb 0.38 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 6.37 0.42 0.00 0.00 0.00 -1.26 -4.94 105.19 105.77 1ukx n GLY 58 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.76 3.39 0.00 1.61 2.13 -0.57 -5.00 120.64 120.44 1ukx n GLU 59 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ukx n GLU 59 Cb 0.06 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.77 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ukx n GLU 60 N 0.00 0.00 -0.01 5.31 -0.58 -1.26 -5.04 120.64 119.06 1ukx n GLU 60 Ca 0.00 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1ukx n GLU 60 Cb 0.00 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.05 -0.01 0.02 2.62 0.31 -1.26 -5.05 118.33 112.90 1ukx n VAL 61 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1ukx n VAL 61 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.63 -0.09 -5.04 3.52 4.02 -1.26 -5.02 117.16 111.67 1ukx n TYR 62 Ca -0.00 0.02 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1ukx n TYR 62 Cb 0.00 0.06 -0.14 0.00 -0.02 0.00 0.00 39.34 39.25 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 2.67 0.07 -0.72 -7.23 -1.26 -3.31 120.40 108.62 1ukx s VAL 63 Ca 0.00 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 1ukx s VAL 63 Cb 0.00 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 34.97 1ukx s VAL 63 CO 0.00 0.58 0.42 0.00 -0.31 0.00 0.00 175.10 175.79 1ukx s GLN 64 N -0.72 0.98 0.14 4.82 -2.07 -1.26 -4.14 119.66 117.41 1ukx s GLN 64 Ca 0.11 -0.45 -0.10 0.00 -1.82 0.00 0.00 55.36 53.10 1ukx s GLN 64 Cb -0.10 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1ukx s GLN 64 CO 0.00 -0.36 0.28 0.54 -1.32 0.00 0.00 175.29 174.44 1ukx s VAL 65 N -2.89 0.09 0.24 3.63 0.11 -1.24 -1.05 120.40 119.28 1ukx s VAL 65 Ca -0.03 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 1ukx s VAL 65 Cb 0.00 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1ukx s VAL 65 CO -0.05 -0.39 0.42 -1.61 -3.33 0.00 0.00 175.10 170.13 1ukx s GLU 66 N -3.91 3.50 -0.26 1.54 2.02 0.08 -3.28 118.70 118.39 1ukx s GLU 66 Ca 0.11 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.65 1ukx s GLU 66 Cb 0.03 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 1ukx s GLU 66 CO -0.05 0.35 0.04 -1.17 0.02 0.00 0.00 175.26 174.45 1ukx s LEU 67 N -3.62 3.44 -0.16 1.80 2.96 -0.41 -3.36 118.68 119.33 1ukx s LEU 67 Ca 0.38 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1ukx s LEU 67 Cb -0.10 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1ukx s LEU 67 CO 0.30 -0.09 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.06 1ukx s ARG 68 N 1.53 3.56 0.04 1.98 1.81 0.14 -0.53 118.95 127.48 1ukx s ARG 68 Ca 0.05 -0.57 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 1ukx s ARG 68 Cb -0.16 -2.88 -0.02 0.00 -0.45 0.00 0.00 34.95 31.45 1ukx s ARG 68 CO 0.01 0.16 -0.14 0.08 -0.68 0.00 0.00 175.30 174.73 1ukx s VAL 69 N 0.56 1.12 -0.15 3.52 1.01 -1.09 -0.93 120.40 124.44 1ukx s VAL 69 Ca -0.04 -1.02 0.19 0.00 0.00 0.00 0.00 61.98 61.10 1ukx s VAL 69 Cb -0.15 -1.02 -0.27 0.00 0.00 0.00 0.00 36.38 34.95 1ukx s VAL 69 CO 0.03 -0.01 0.23 2.29 0.00 0.00 0.00 175.10 177.64 1ukx n LYS 70 N 1.85 0.68 -2.88 2.72 -0.00 -1.26 -1.36 118.16 117.90 1ukx n LYS 70 Ca -0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.07 1ukx n LYS 70 Cb 0.55 -1.54 -0.02 0.00 -0.00 0.00 0.00 35.03 34.01 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 -0.26 0.28 0.22 0.00 0.04 -1.26 -4.03 135.00 129.99 1ukx s PRO 72 Ca -0.11 1.30 0.17 0.00 0.04 0.00 0.00 61.00 62.40 1ukx s PRO 72 Cb 0.01 -1.66 0.86 0.00 0.04 0.00 0.00 34.50 33.75 1ukx s PRO 72 CO 0.31 -3.05 1.53 -0.35 0.04 0.00 0.00 177.00 175.48 1ukx n PRO 73 N -4.50 0.12 -0.12 0.56 -0.04 -1.26 -1.44 135.00 128.32 1ukx n PRO 73 Ca 0.09 0.53 0.05 0.00 -0.04 0.00 0.00 63.50 64.12 1ukx n PRO 73 Cb 0.53 -1.82 0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.05 1.42 -2.32 0.52 -2.24 -1.26 -4.71 114.28 103.64 1ukx n THR 74 Ca 0.00 -1.46 -0.40 0.00 -2.27 0.00 0.00 64.05 59.92 1ukx n THR 74 Cb 0.09 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.75 3.33 -0.47 4.78 6.14 -0.52 -0.37 117.35 128.49 1ukx s TYR 75 Ca 0.19 1.58 0.09 0.00 0.64 0.00 0.00 57.07 59.57 1ukx s TYR 75 Cb 0.15 -3.44 0.54 0.00 0.42 0.00 0.00 41.96 39.63 1ukx s TYR 75 CO 0.05 -1.11 1.38 -0.35 0.64 0.00 0.00 175.55 176.16 1ukx n PRO 76 N 0.92 3.43 0.27 4.97 -0.04 -1.26 -4.83 135.00 138.46 1ukx n PRO 76 Ca -0.00 -2.12 0.16 0.00 -0.04 0.00 0.00 63.50 61.50 1ukx n PRO 76 Cb 0.44 -1.99 0.72 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.45 0.00 -3.94 3.54 1.82 -1.05 -3.09 116.42 116.16 1ukx h ASP 77 Ca 0.05 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.33 1ukx h ASP 77 Cb 1.60 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.46 1ukx h ASP 77 CO 0.38 0.05 -0.67 0.68 -1.61 0.00 0.00 179.24 178.08 1ukx s VAL 78 N -3.79 1.03 0.44 2.25 -7.23 -0.34 -4.86 120.40 107.91 1ukx s VAL 78 Ca -0.00 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 1ukx s VAL 78 Cb 0.10 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 1ukx s VAL 78 CO 0.55 -0.42 1.40 0.68 -0.31 0.00 0.00 175.10 177.00 1ukx s VAL 79 N -3.42 2.19 0.51 1.32 -7.23 -1.26 -4.27 120.40 108.25 1ukx s VAL 79 Ca 0.26 0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.51 1ukx s VAL 79 Cb 0.05 -3.10 0.13 0.00 0.56 0.00 0.00 36.38 34.02 1ukx s VAL 79 CO 0.07 0.02 0.51 -0.81 -0.31 0.00 0.00 175.10 174.58 1ukx n PRO 80 N -0.09 -1.59 -2.92 4.82 -0.04 -1.26 -4.85 135.00 129.06 1ukx n PRO 80 Ca 0.05 -0.81 -0.24 0.00 -0.04 0.00 0.00 63.50 62.45 1ukx n PRO 80 Cb 0.42 -0.69 0.01 0.00 -0.04 0.00 0.00 33.50 33.20 1ukx n PRO 80 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ukx s GLU 81 N -4.15 3.17 -0.03 0.54 0.41 -1.26 -5.01 118.70 112.37 1ukx s GLU 81 Ca 0.32 -0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.57 1ukx s GLU 81 Cb -0.02 -2.51 0.03 0.00 -1.78 0.00 0.00 34.13 29.84 1ukx s GLU 81 CO 0.24 -0.26 -0.00 0.42 -0.49 0.00 0.00 175.26 175.17 1ukx s ILE 82 N -2.61 0.22 -0.07 -1.63 1.01 -1.26 -4.38 121.20 112.47 1ukx s ILE 82 Ca 0.48 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 1ukx s ILE 82 Cb -0.10 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1ukx s ILE 82 CO 0.40 0.16 -0.04 -1.81 0.00 0.00 0.00 174.94 173.65 1ukx s ASP 83 N 1.11 1.57 -0.26 3.58 1.01 -0.10 -5.01 116.67 118.56 1ukx s ASP 83 Ca -0.08 -0.17 -0.10 0.00 0.71 0.00 0.00 52.55 52.91 1ukx s ASP 83 Cb -0.13 -0.57 -0.05 0.00 1.01 0.00 0.00 42.92 43.18 1ukx s ASP 83 CO -0.02 -0.12 0.16 -0.76 0.21 0.00 0.00 175.17 174.64 1ukx s LEU 84 N 1.51 3.95 0.32 1.23 1.02 -1.26 -0.68 118.68 124.76 1ukx s LEU 84 Ca -0.01 -0.00 0.05 0.00 0.02 0.00 0.00 54.13 54.18 1ukx s LEU 84 Cb -0.13 -2.08 -0.06 0.00 0.02 0.00 0.00 46.19 43.93 1ukx s LEU 84 CO -0.04 -0.01 0.03 -0.54 0.02 0.00 0.00 176.35 175.81 1ukx s LYS 85 N 1.50 1.65 -1.51 1.70 -0.14 -1.21 -4.87 119.74 116.84 1ukx s LYS 85 Ca 0.07 -1.90 -0.03 0.00 -1.36 0.00 0.00 55.97 52.75 1ukx s LYS 85 Cb -0.15 -0.98 0.03 0.00 -1.68 0.00 0.00 37.83 35.05 1ukx s LYS 85 CO 0.08 -0.13 0.33 0.09 -0.76 0.00 0.00 175.35 174.95 1ukx n ASN 86 N -0.68 -0.30 -4.64 2.83 3.02 -1.26 -0.74 115.26 113.49 1ukx n ASN 86 Ca -0.03 -1.11 -0.43 0.00 -0.03 0.00 0.00 54.58 52.98 1ukx n ASN 86 Cb 0.66 -2.46 -0.02 0.00 -0.61 0.00 0.00 39.78 37.35 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 -3.99 3.49 0.00 5.41 0.00 -1.26 -4.04 121.76 121.36 1ukx s ALA 87 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1ukx s ALA 87 Cb -0.07 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1ukx s ALA 87 CO 0.94 -1.51 0.01 1.63 0.00 0.00 0.00 175.76 176.83 1ukx n LYS 88 N 6.99 0.00 0.18 0.00 5.02 -0.22 -3.04 118.16 127.09 1ukx n LYS 88 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1ukx n LYS 88 Cb 0.46 -0.21 0.57 0.00 -0.02 0.00 0.00 35.03 35.82 1ukx n LYS 88 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ukx h GLY 89 N 0.00 0.00 0.00 0.72 0.00 -1.75 -1.58 103.07 100.46 1ukx h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ukx h GLY 89 CO 0.00 0.00 -1.46 1.04 0.00 0.00 0.00 176.54 176.12 1ukx n LEU 90 N -2.26 0.09 0.00 3.11 4.77 -1.26 -4.95 117.00 116.50 1ukx n LEU 90 Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1ukx n LEU 90 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ukx n LEU 90 CO 0.09 0.02 0.00 -0.24 -1.33 0.00 0.00 177.39 175.93 1ukx n SER 91 N -1.86 0.00 -0.10 -1.43 2.88 -0.60 -0.31 113.62 112.20 1ukx n SER 91 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ukx n SER 91 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.01 0.00 0.00 -3.46 3.02 -1.26 -4.38 115.26 109.19 1ukx n ASN 92 Ca 0.00 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1ukx n ASN 92 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.00 0.00 0.00 3.52 1.02 0.58 -4.35 120.64 121.42 1ukx n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ukx n GLU 93 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.00 0.16 0.26 1.62 7.64 -1.26 -2.02 113.62 120.01 1ukx n SER 94 Ca 0.00 -0.92 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 1ukx n SER 94 Cb 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.32 -0.04 0.44 2.07 -1.84 -1.75 116.25 115.45 1ukx h VAL 95 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ukx h VAL 95 Cb 0.08 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1ukx h VAL 95 CO 0.00 0.00 -0.21 0.78 0.02 0.00 0.00 177.57 178.16 1ukx h ASN 96 N -0.75 0.06 0.92 0.57 2.35 -1.60 0.20 115.58 117.32 1ukx h ASN 96 Ca -0.04 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1ukx h ASN 96 Cb 0.64 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.01 1ukx h ASN 96 CO 0.00 0.27 -0.44 0.25 -1.65 0.00 0.00 177.43 175.86 1ukx h LEU 97 N 0.05 -1.04 -1.15 1.61 6.46 -1.72 -1.46 115.31 118.07 1ukx h LEU 97 Ca 0.01 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1ukx h LEU 97 Cb 0.41 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1ukx h LEU 97 CO 0.03 -0.73 0.39 0.25 -0.62 0.00 0.00 178.44 177.76 1ukx h LEU 98 N -1.26 0.88 -0.07 2.25 5.85 -0.55 -0.18 115.31 122.22 1ukx h LEU 98 Ca -0.13 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ukx h LEU 98 Cb 0.95 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1ukx h LEU 98 CO 0.21 0.70 0.05 0.50 -0.34 0.00 0.00 178.44 179.56 1ukx h LYS 99 N 0.99 0.09 -0.98 1.25 3.64 -0.61 -0.19 116.57 120.75 1ukx h LYS 99 Ca 0.25 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1ukx h LYS 99 Cb 0.02 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 1ukx h LYS 99 CO -0.04 0.08 0.64 0.77 -2.27 0.00 0.00 179.45 178.62 1ukx h SER 100 N 0.09 1.00 -0.59 4.20 0.02 -0.64 0.14 113.55 117.76 1ukx h SER 100 Ca 0.03 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1ukx h SER 100 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1ukx h SER 100 CO -0.01 0.63 0.37 0.45 -1.14 0.00 0.00 176.83 177.13 1ukx h HIS 101 N 1.13 0.77 -0.18 3.45 3.86 -0.28 -1.98 115.15 121.92 1ukx h HIS 101 Ca 0.43 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.45 1ukx h HIS 101 Cb 0.21 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1ukx h HIS 101 CO -0.00 0.52 -0.67 -0.07 0.86 0.00 0.00 177.93 178.57 1ukx h LEU 102 N 0.80 0.80 -1.47 2.43 3.38 -0.45 0.53 115.31 121.33 1ukx h LEU 102 Ca 0.21 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1ukx h LEU 102 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1ukx h LEU 102 CO -0.04 1.25 0.36 -0.33 0.09 0.00 0.00 178.44 179.78 1ukx h GLU 103 N 0.50 0.70 0.16 1.13 5.08 -0.57 0.94 114.58 122.52 1ukx h GLU 103 Ca -0.02 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1ukx h GLU 103 Cb 1.26 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.38 1ukx h GLU 103 CO 0.13 0.46 -1.01 0.93 -1.00 0.00 0.00 179.01 178.53 1ukx h GLU 104 N 0.72 0.34 -0.75 2.33 4.39 -1.19 -3.23 114.58 117.18 1ukx h GLU 104 Ca 0.20 -0.58 0.11 0.00 0.34 0.00 0.00 59.36 59.44 1ukx h GLU 104 Cb -0.05 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 1ukx h GLU 104 CO -0.05 1.28 0.36 1.25 -1.16 0.00 0.00 179.01 180.69 1ukx h LEU 105 N -0.27 0.44 -0.60 1.33 5.85 -0.63 -0.70 115.31 120.74 1ukx h LEU 105 Ca -0.18 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.72 1ukx h LEU 105 Cb 1.75 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.71 1ukx h LEU 105 CO 0.16 0.23 0.14 0.00 -0.34 0.00 0.00 178.44 178.63 1ukx h ALA 106 N 1.48 0.71 -0.21 1.25 0.00 -0.91 -0.68 119.26 120.90 1ukx h ALA 106 Ca 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1ukx h ALA 106 Cb 0.47 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ukx h ALA 106 CO -0.31 -0.30 0.05 0.87 0.00 0.00 0.00 179.25 179.56 1ukx h LYS 107 N 0.27 0.29 0.07 0.00 1.57 -1.15 0.94 116.57 118.56 1ukx h LYS 107 Ca 0.31 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.81 1ukx h LYS 107 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1ukx h LYS 107 CO -0.39 0.28 -1.12 0.87 -0.57 0.00 0.00 179.45 178.52 1ukx h LYS 108 N 0.29 0.15 0.00 3.15 1.57 -0.95 -3.25 116.57 117.54 1ukx h LYS 108 Ca 0.07 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1ukx h LYS 108 Cb 0.13 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ukx h LYS 108 CO -0.00 1.12 -0.25 1.96 -0.57 0.00 0.00 179.45 181.71 1ukx h GLN 109 N 0.05 0.00 -6.14 3.15 1.08 -0.74 -3.47 115.11 109.04 1ukx h GLN 109 Ca -0.08 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.49 1ukx h GLN 109 Cb 1.86 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.30 1ukx h GLN 109 CO 0.17 0.00 1.26 0.00 -0.95 0.00 0.00 178.83 179.31 1ukx n GLY 111 N 5.25 2.10 3.40 0.00 0.00 -1.17 -5.03 105.19 109.74 1ukx n GLY 111 Ca 0.29 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ukx s GLU 112 N 0.00 1.73 0.55 1.61 -1.05 -0.80 -4.41 118.70 116.33 1ukx s GLU 112 Ca 0.00 -2.02 -0.21 0.00 -0.15 0.00 0.00 54.97 52.59 1ukx s GLU 112 Cb 0.00 -0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.37 1ukx s GLU 112 CO 0.00 -0.47 1.19 1.33 0.95 0.00 0.00 175.26 178.26 1ukx n VAL 113 N -0.71 3.68 -0.06 1.83 0.24 -1.26 -4.83 118.33 117.22 1ukx n VAL 113 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ukx n VAL 113 Cb 0.65 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1ukx n VAL 113 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1ukx n MET 114 N -0.91 2.97 -0.21 7.34 0.00 -1.26 -4.85 117.12 120.20 1ukx n MET 114 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 57.70 57.73 1ukx n MET 114 Cb 0.45 -0.30 0.03 0.00 0.00 0.00 0.00 33.22 33.40 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 0.06 1.15 -0.79 3.17 2.04 -1.99 0.15 117.51 121.31 1ukx h ILE 115 Ca 0.00 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1ukx h ILE 115 Cb 0.03 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1ukx h ILE 115 CO 0.00 0.15 0.52 -0.26 0.00 0.00 0.00 178.15 178.56 1ukx h PHE 116 N 0.80 0.82 -0.06 1.37 0.04 -1.99 -0.08 116.94 117.83 1ukx h PHE 116 Ca 0.22 0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.77 1ukx h PHE 116 Cb -0.09 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 37.81 1ukx h PHE 116 CO -0.03 0.41 -0.92 1.49 -0.60 0.00 0.00 178.31 178.66 1ukx h GLU 117 N 0.79 0.67 0.21 1.51 4.57 -1.57 -2.50 114.58 118.26 1ukx h GLU 117 Ca 0.35 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1ukx h GLU 117 Cb 0.35 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ukx h GLU 117 CO -0.13 1.24 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.72 1ukx h LEU 118 N 0.41 -0.39 -0.98 1.64 3.38 0.13 -0.05 115.31 119.45 1ukx h LEU 118 Ca -0.09 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ukx h LEU 118 Cb 1.55 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.37 1ukx h LEU 118 CO 0.18 -0.24 0.64 0.00 0.09 0.00 0.00 178.44 179.10 1ukx h ALA 119 N 0.40 1.31 0.15 1.53 0.00 -1.14 -0.28 119.26 121.22 1ukx h ALA 119 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ukx h ALA 119 Cb 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ukx h ALA 119 CO 0.00 0.50 -0.29 0.45 0.00 0.00 0.00 179.25 179.91 1ukx h HIS 120 N 1.21 -0.79 -0.68 0.00 3.86 -1.02 -1.82 115.15 115.91 1ukx h HIS 120 Ca 0.40 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 1ukx h HIS 120 Cb 0.04 0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1ukx h HIS 120 CO -0.01 -0.40 0.34 1.25 0.86 0.00 0.00 177.93 179.97 1ukx h HIS 121 N -0.53 0.95 -0.10 2.45 6.17 -0.35 -0.66 115.15 123.07 1ukx h HIS 121 Ca 0.02 -0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.10 1ukx h HIS 121 Cb 0.54 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 1ukx h HIS 121 CO -0.25 0.68 -0.04 0.28 0.71 0.00 0.00 177.93 179.31 1ukx h VAL 122 N 0.96 0.86 -0.87 5.26 2.07 -0.97 -0.03 116.25 123.53 1ukx h VAL 122 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 1ukx h VAL 122 Cb 0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1ukx h VAL 122 CO -0.03 0.00 0.57 1.56 0.02 0.00 0.00 177.57 179.68 1ukx h GLN 123 N -0.03 1.15 -0.78 1.57 4.20 -0.32 0.20 115.11 121.10 1ukx h GLN 123 Ca 0.06 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ukx h GLN 123 Cb 0.11 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1ukx h GLN 123 CO -0.12 0.77 0.48 0.77 -0.67 0.00 0.00 178.83 180.06 1ukx h SER 124 N 1.18 0.93 -0.28 1.46 0.02 -0.90 -0.16 113.55 115.81 1ukx h SER 124 Ca 0.32 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1ukx h SER 124 Cb -0.12 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1ukx h SER 124 CO -0.07 0.71 -0.20 0.15 -1.14 0.00 0.00 176.83 176.29 1ukx h PHE 125 N 1.07 0.73 0.21 3.45 3.57 -0.47 -2.41 116.94 123.08 1ukx h PHE 125 Ca 0.28 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ukx h PHE 125 Cb -0.05 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1ukx h PHE 125 CO -0.01 0.89 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.80 1ukx h LEU 126 N 0.35 -0.23 -0.85 0.59 3.38 -0.35 -1.20 115.31 117.00 1ukx h LEU 126 Ca 0.05 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1ukx h LEU 126 Cb 0.74 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 1ukx h LEU 126 CO 0.05 -0.02 0.45 0.77 0.09 0.00 0.00 178.44 179.79 1ukx h SER 127 N -0.44 0.58 0.26 -0.43 4.64 -1.10 0.21 113.55 117.27 1ukx h SER 127 Ca -0.03 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1ukx h SER 127 Cb 0.34 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1ukx h SER 127 CO 0.05 0.27 -0.44 -0.08 -0.87 0.00 0.00 176.83 175.76 1ukx h GLU 128 N 0.68 -0.74 0.00 4.77 4.22 -0.97 -2.71 114.58 119.83 1ukx h GLU 128 Ca 0.45 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.94 1ukx h GLU 128 Cb 0.59 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ukx h GLU 128 CO -0.33 -0.49 0.00 0.72 -2.18 0.00 0.00 179.01 176.72 1ukx n HIS 129 N -5.49 0.00 0.09 0.92 8.25 -0.49 -3.95 115.22 114.54 1ukx n HIS 129 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1ukx n HIS 129 Cb 0.40 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 0.00 -0.21 -6.96 0.41 -0.73 -0.25 -3.45 115.58 104.39 1ukx h ASN 130 Ca 0.00 -0.28 -0.53 0.00 1.87 0.00 0.00 56.30 57.36 1ukx h ASN 130 Cb 0.20 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1ukx h ASN 130 CO 0.00 0.20 -0.92 0.29 -0.37 0.00 0.00 177.43 176.63 1ukx n LYS 131 N -5.02 -0.46 -0.02 6.67 5.02 -1.25 -4.78 118.16 118.32 1ukx n LYS 131 Ca -0.09 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ukx n LYS 131 Cb 0.25 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1ukx n LYS 131 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ukx n SER 132 N -1.87 0.00 -4.77 4.39 3.41 -1.26 -5.05 113.62 108.47 1ukx n SER 132 Ca -0.13 -0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.93 1ukx n SER 132 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1ukx n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ukx s GLY 133 N -1.40 2.49 -1.07 5.00 0.00 -1.26 -4.92 107.32 106.16 1ukx s GLY 133 Ca 0.00 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.27 1ukx s GLY 133 CO 0.00 1.10 1.98 -1.55 0.00 0.00 0.00 173.10 174.63 1ukx n PRO 134 N -1.66 2.03 -1.56 2.90 -0.04 -1.26 -4.92 135.00 130.50 1ukx n PRO 134 Ca 0.11 -2.30 -0.52 0.00 -0.04 0.00 0.00 63.50 60.76 1ukx n PRO 134 Cb 0.51 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 1ukx n PRO 134 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ukx n SER 135 N 8.54 2.50 -3.48 3.54 7.64 -1.26 -4.92 113.62 126.18 1ukx n SER 135 Ca 0.49 0.67 -0.13 0.00 1.01 0.00 0.00 58.87 60.91 1ukx n SER 135 Cb 0.42 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.32 1ukx n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ukx s SER 136 N 5.83 -0.55 0.00 6.43 1.04 -1.26 -5.28 113.70 119.91 1ukx s SER 136 Ca 1.03 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1ukx s SER 136 Cb -0.86 0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1ukx s SER 136 CO 0.53 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.60