#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ukd s LYS 5 N 0.00 4.30 0.53 1.43 -2.85 -1.26 -4.79 119.74 117.10 3ukd s LYS 5 Ca 0.00 1.82 -0.22 0.00 -1.00 0.00 0.00 55.97 56.57 3ukd s LYS 5 Cb 0.00 -2.87 -0.06 0.00 -2.06 0.00 0.00 37.83 32.84 3ukd s LYS 5 CO 0.00 -0.10 1.23 -2.30 0.10 0.00 0.00 175.35 174.29 3ukd n PRO 6 N 0.51 1.53 -3.12 1.78 -0.02 -1.26 -4.75 135.00 129.67 3ukd n PRO 6 Ca 0.02 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 3ukd n PRO 6 Cb 0.46 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3ukd n PRO 6 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ukd s ASN 7 N -0.91 7.22 -0.06 2.55 -0.87 -1.26 -0.47 114.94 121.15 3ukd s ASN 7 Ca 0.70 1.46 0.05 0.00 -1.57 0.00 0.00 52.86 53.50 3ukd s ASN 7 Cb -0.44 -2.43 -0.00 0.00 -0.02 0.00 0.00 41.25 38.35 3ukd s ASN 7 CO 0.51 0.24 -0.21 -0.69 -2.57 0.00 0.00 177.10 174.37 3ukd s VAL 8 N -1.15 1.74 -0.16 1.60 1.01 -0.62 -0.55 120.40 122.27 3ukd s VAL 8 Ca 0.33 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3ukd s VAL 8 Cb -0.21 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3ukd s VAL 8 CO 0.23 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.96 3ukd s VAL 9 N 0.03 2.47 0.09 2.92 1.01 0.09 -0.98 120.40 126.03 3ukd s VAL 9 Ca -0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3ukd s VAL 9 Cb -0.13 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 3ukd s VAL 9 CO 0.04 0.52 1.08 -0.36 0.00 0.00 0.00 175.10 176.38 3ukd s PHE 10 N 0.96 3.59 -0.37 5.22 0.08 -1.01 -1.20 117.98 125.25 3ukd s PHE 10 Ca -0.03 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 3ukd s PHE 10 Cb -0.15 -3.25 0.08 0.00 -0.57 0.00 0.00 43.02 39.13 3ukd s PHE 10 CO -0.03 -0.57 0.13 0.08 -0.10 0.00 0.00 175.22 174.74 3ukd s VAL 11 N 0.49 3.35 0.36 -0.44 1.01 0.86 -0.45 120.40 125.58 3ukd s VAL 11 Ca 0.53 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.92 3ukd s VAL 11 Cb -0.27 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3ukd s VAL 11 CO 0.31 -0.43 0.05 -0.76 0.00 0.00 0.00 175.10 174.27 3ukd s LEU 12 N 1.24 3.01 0.00 3.92 1.43 0.44 -0.94 118.68 127.78 3ukd s LEU 12 Ca 0.02 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3ukd s LEU 12 Cb -0.21 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3ukd s LEU 12 CO -0.02 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.85 3ukd n GLY 13 N -1.02 2.93 3.55 -3.19 0.00 -1.26 -1.28 105.19 104.91 3ukd n GLY 13 Ca -0.04 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3ukd n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ukd s GLY 14 N 0.00 1.54 -0.07 -0.02 0.00 -1.26 -4.89 107.32 102.63 3ukd s GLY 14 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 44.72 43.69 3ukd s GLY 14 CO 0.00 0.11 2.01 -1.05 0.00 0.00 0.00 173.10 174.18 3ukd n PRO 15 N -4.81 2.41 -1.11 2.90 -0.02 -1.26 -2.33 135.00 130.78 3ukd n PRO 15 Ca 0.10 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 3ukd n PRO 15 Cb 0.59 -2.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.13 3ukd n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ukd n GLY 16 N 4.86 0.52 0.06 -1.23 0.00 -1.26 -4.75 105.19 103.39 3ukd n GLY 16 Ca 0.24 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3ukd n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ukd n SER 17 N 1.67 0.38 0.00 1.61 3.41 -0.98 -4.74 113.62 114.97 3ukd n SER 17 Ca -0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3ukd n SER 17 Cb 0.09 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3ukd n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ukd n GLY 18 N 0.70 1.78 0.19 5.00 0.00 -1.26 -4.89 105.19 106.71 3ukd n GLY 18 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3ukd n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ukd h LYS 19 N 0.00 0.59 -0.39 1.61 1.57 -1.90 -2.06 116.57 115.99 3ukd h LYS 19 Ca 0.00 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3ukd h LYS 19 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3ukd h LYS 19 CO 0.00 0.76 -0.15 0.78 -0.57 0.00 0.00 179.45 180.27 3ukd h GLY 20 N 0.38 0.77 0.80 3.86 0.00 -1.97 -1.03 103.07 105.88 3ukd h GLY 20 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3ukd h GLY 20 CO 0.03 0.55 0.02 -0.84 0.00 0.00 0.00 176.54 176.29 3ukd h THR 21 N 0.64 1.21 -0.02 4.70 2.02 -1.93 -2.56 112.91 116.98 3ukd h THR 21 Ca 0.10 -0.66 -0.17 0.00 0.77 0.00 0.00 66.41 66.46 3ukd h THR 21 Cb 0.62 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3ukd h THR 21 CO 0.04 0.19 -0.74 1.56 0.37 0.00 0.00 175.52 176.94 3ukd h GLN 22 N -0.05 0.13 -0.55 6.66 1.08 -1.31 -2.96 115.11 118.11 3ukd h GLN 22 Ca 0.03 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3ukd h GLN 22 Cb 0.28 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 3ukd h GLN 22 CO 0.00 0.81 0.20 0.00 -0.95 0.00 0.00 178.83 178.90 3ukd h ALA 24 N 1.44 1.32 -0.50 0.00 0.00 -1.29 -0.54 119.26 119.69 3ukd h ALA 24 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3ukd h ALA 24 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ukd h ALA 24 CO -0.01 0.46 -0.10 -0.91 0.00 0.00 0.00 179.25 178.68 3ukd h ASN 25 N 0.33 0.95 -0.35 0.00 2.35 -1.34 -2.07 115.58 115.46 3ukd h ASN 25 Ca 0.06 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 3ukd h ASN 25 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3ukd h ASN 25 CO 0.03 1.08 -0.08 0.40 -1.65 0.00 0.00 177.43 177.22 3ukd h ILE 26 N 0.81 1.28 -0.84 2.81 2.04 -0.67 -1.92 117.51 121.02 3ukd h ILE 26 Ca 0.13 -1.14 0.10 0.00 1.00 0.00 0.00 64.86 64.95 3ukd h ILE 26 Cb 0.66 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 3ukd h ILE 26 CO 0.05 0.37 0.48 0.58 0.00 0.00 0.00 178.15 179.63 3ukd h VAL 27 N 0.47 0.89 -0.42 1.67 2.07 -1.06 0.58 116.25 120.46 3ukd h VAL 27 Ca 0.09 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3ukd h VAL 27 Cb 0.58 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3ukd h VAL 27 CO 0.03 0.14 0.07 -0.09 0.02 0.00 0.00 177.57 177.75 3ukd h ARG 28 N 0.79 0.70 0.00 1.57 2.43 -0.90 -1.24 114.38 117.73 3ukd h ARG 28 Ca 0.41 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3ukd h ARG 28 Cb 0.39 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3ukd h ARG 28 CO -0.26 0.73 -1.66 -0.25 -1.51 0.00 0.00 179.97 177.02 3ukd n ASP 29 N -4.50 0.40 -0.00 -3.80 8.00 -0.77 -4.55 116.55 111.33 3ukd n ASP 29 Ca -0.00 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.67 3ukd n ASP 29 Cb 0.24 1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 42.43 3ukd n ASP 29 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ukd n PHE 30 N -2.55 0.00 -1.25 1.24 3.72 0.18 -5.03 117.46 113.76 3ukd n PHE 30 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 3ukd n PHE 30 Cb 0.69 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.19 3ukd n PHE 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ukd n GLY 31 N 1.96 0.62 3.81 1.37 0.00 -0.47 -5.01 105.19 107.47 3ukd n GLY 31 Ca -0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3ukd n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ukd s TRP 32 N -2.15 2.92 -0.17 1.61 0.52 -1.26 -4.76 118.94 115.64 3ukd s TRP 32 Ca 0.00 1.19 -0.12 0.00 0.02 0.00 0.00 56.10 57.19 3ukd s TRP 32 Cb 0.00 -3.07 -0.05 0.00 -1.15 0.00 0.00 33.47 29.20 3ukd s TRP 32 CO 0.00 -1.63 0.22 0.08 0.02 0.00 0.00 176.95 175.64 3ukd s VAL 33 N -3.15 5.35 -0.35 4.03 1.01 0.44 -4.54 120.40 123.20 3ukd s VAL 33 Ca 0.60 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 3ukd s VAL 33 Cb -0.14 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 3ukd s VAL 33 CO 0.54 0.43 0.49 -2.28 0.00 0.00 0.00 175.10 174.28 3ukd s HIS 34 N 0.29 3.18 -0.48 5.22 2.46 -1.26 -1.04 115.29 123.67 3ukd s HIS 34 Ca 0.13 0.14 -0.06 0.00 0.47 0.00 0.00 55.06 55.74 3ukd s HIS 34 Cb -0.12 -2.88 0.12 0.00 -0.13 0.00 0.00 32.58 29.57 3ukd s HIS 34 CO 0.02 -0.52 0.32 -0.51 -2.47 0.00 0.00 174.74 171.58 3ukd s LEU 35 N 2.33 5.53 -0.30 8.88 1.43 -0.27 -4.99 118.68 131.29 3ukd s LEU 35 Ca 0.17 -2.09 -0.27 0.00 -1.03 0.00 0.00 54.13 50.91 3ukd s LEU 35 Cb -0.16 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3ukd s LEU 35 CO 0.13 -0.60 0.99 -0.55 0.23 0.00 0.00 176.35 176.55 3ukd s SER 36 N 2.13 6.89 0.21 2.29 0.15 -1.26 -0.88 113.70 123.23 3ukd s SER 36 Ca 0.08 1.01 -0.10 0.00 0.70 0.00 0.00 55.95 57.65 3ukd s SER 36 Cb -0.24 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 3ukd s SER 36 CO -0.03 -0.77 1.86 0.00 1.20 0.00 0.00 173.24 175.51 3ukd h ALA 37 N 7.97 1.00 -0.94 5.45 0.00 -1.57 -1.13 119.26 130.05 3ukd h ALA 37 Ca -0.21 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3ukd h ALA 37 Cb 1.07 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3ukd h ALA 37 CO 0.98 0.46 0.61 0.78 0.00 0.00 0.00 179.25 182.07 3ukd h GLY 38 N 1.07 1.37 1.14 0.00 0.00 -1.86 -1.09 103.07 103.70 3ukd h GLY 38 Ca 0.28 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3ukd h GLY 38 CO -0.05 0.38 -0.26 -0.55 0.00 0.00 0.00 176.54 176.05 3ukd h ASP 39 N 1.16 1.01 -0.36 0.19 3.32 -1.85 -1.98 116.42 117.91 3ukd h ASP 39 Ca 0.38 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3ukd h ASP 39 Cb 0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3ukd h ASP 39 CO -0.13 1.20 0.01 -0.07 -1.72 0.00 0.00 179.24 178.53 3ukd h LEU 40 N 0.83 0.69 -0.14 1.55 3.38 -0.79 -0.64 115.31 120.18 3ukd h LEU 40 Ca 0.10 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3ukd h LEU 40 Cb 0.85 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ukd h LEU 40 CO 0.07 0.75 -0.38 -0.07 0.09 0.00 0.00 178.44 178.91 3ukd h LEU 41 N 0.68 0.58 -0.85 1.67 3.38 -0.97 -1.49 115.31 118.31 3ukd h LEU 41 Ca 0.14 -0.59 0.09 0.00 0.09 0.00 0.00 57.88 57.61 3ukd h LEU 41 Cb 0.41 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3ukd h LEU 41 CO 0.02 1.06 0.50 0.03 0.09 0.00 0.00 178.44 180.14 3ukd h ARG 42 N 0.13 0.82 0.11 1.13 3.08 -1.33 -1.48 114.38 116.83 3ukd h ARG 42 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ukd h ARG 42 Cb 0.99 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3ukd h ARG 42 CO 0.08 0.54 -0.05 1.96 -1.07 0.00 0.00 179.97 181.43 3ukd h GLN 43 N 0.85 -0.14 -0.91 0.04 1.08 -0.87 0.10 115.11 115.27 3ukd h GLN 43 Ca 0.41 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.67 3ukd h GLN 43 Cb 0.35 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.75 3ukd h GLN 43 CO -0.24 0.01 0.59 1.49 -0.95 0.00 0.00 178.83 179.73 3ukd h GLU 44 N -0.26 1.04 -0.41 1.46 4.57 -1.09 -1.87 114.58 118.02 3ukd h GLU 44 Ca -0.01 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 3ukd h GLU 44 Cb 0.21 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3ukd h GLU 44 CO 0.02 0.69 -0.00 0.37 -1.18 0.00 0.00 179.01 178.91 3ukd h GLN 45 N 1.07 0.72 0.00 1.92 4.15 -0.88 -2.78 115.11 119.32 3ukd h GLN 45 Ca 0.38 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3ukd h GLN 45 Cb 0.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3ukd h GLN 45 CO -0.13 0.81 0.00 1.04 -1.93 0.00 0.00 178.83 178.62 3ukd n GLN 46 N -4.43 0.11 0.05 1.69 1.13 0.32 -2.52 117.38 113.73 3ukd n GLN 46 Ca -0.01 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.70 3ukd n GLN 46 Cb 0.29 -1.81 0.10 0.00 0.11 0.00 0.00 30.24 28.93 3ukd n GLN 46 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3ukd n SER 47 N -2.05 0.66 -0.47 1.08 7.64 -0.76 -4.96 113.62 114.76 3ukd n SER 47 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3ukd n SER 47 Cb 0.09 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3ukd n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ukd n GLY 48 N 1.35 0.82 3.95 0.23 0.00 -1.05 -5.07 105.19 105.42 3ukd n GLY 48 Ca 0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 3ukd n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ukd s SER 49 N -2.65 4.47 0.21 1.61 1.04 -1.24 -4.96 113.70 112.18 3ukd s SER 49 Ca 0.00 0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 3ukd s SER 49 Cb 0.00 -0.65 0.29 0.00 0.10 0.00 0.00 66.02 65.76 3ukd s SER 49 CO 0.00 -1.80 1.74 0.11 0.98 0.00 0.00 173.24 174.27 3ukd h LYS 50 N -0.67 0.39 0.00 4.02 1.57 -1.97 -2.26 116.57 117.65 3ukd h LYS 50 Ca -0.42 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3ukd h LYS 50 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3ukd h LYS 50 CO 0.50 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 3ukd n ASP 51 N -5.01 0.00 -0.00 0.86 8.00 -1.26 -4.26 116.55 114.88 3ukd n ASP 51 Ca 0.09 -1.47 -0.13 0.00 0.71 0.00 0.00 54.79 54.00 3ukd n ASP 51 Cb 0.29 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 3ukd n ASP 51 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ukd h GLY 52 N 5.46 0.04 2.00 0.44 0.00 -1.71 0.14 103.07 109.44 3ukd h GLY 52 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3ukd h GLY 52 CO 0.00 0.03 -0.12 0.83 0.00 0.00 0.00 176.54 177.28 3ukd h GLU 53 N -0.28 0.00 -0.06 4.80 5.08 -1.80 -1.51 114.58 120.82 3ukd h GLU 53 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3ukd h GLU 53 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3ukd h GLU 53 CO 0.00 0.12 -0.19 1.98 -1.00 0.00 0.00 179.01 179.91 3ukd h MET 54 N 0.00 0.23 -0.93 2.33 4.05 -1.74 -2.46 114.93 116.42 3ukd h MET 54 Ca -0.00 -0.17 0.05 0.00 -0.28 0.00 0.00 59.70 59.30 3ukd h MET 54 Cb 0.83 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.60 3ukd h MET 54 CO 0.02 0.80 0.59 0.82 0.23 0.00 0.00 176.91 179.37 3ukd h ILE 55 N -0.29 1.10 -0.41 1.77 2.04 -0.64 -1.81 117.51 119.27 3ukd h ILE 55 Ca -0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3ukd h ILE 55 Cb 0.82 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ukd h ILE 55 CO 0.04 0.20 0.15 0.00 0.00 0.00 0.00 178.15 178.55 3ukd h ALA 56 N 1.41 0.54 -0.47 1.87 0.00 -1.20 -1.46 119.26 119.94 3ukd h ALA 56 Ca 0.39 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3ukd h ALA 56 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ukd h ALA 56 CO -0.15 0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.39 3ukd h THR 57 N 0.52 1.26 -0.22 0.00 2.02 -1.02 -2.57 112.91 112.90 3ukd h THR 57 Ca 0.14 -1.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.07 3ukd h THR 57 Cb 0.21 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3ukd h THR 57 CO -0.01 0.38 -0.54 0.24 0.37 0.00 0.00 175.52 175.95 3ukd h MET 58 N 0.69 0.66 -0.68 6.66 2.07 -1.18 -2.21 114.93 120.95 3ukd h MET 58 Ca 0.13 -0.42 -0.04 0.00 -2.07 0.00 0.00 59.70 57.31 3ukd h MET 58 Cb 0.52 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 3ukd h MET 58 CO 0.03 1.03 0.28 0.82 1.07 0.00 0.00 176.91 180.14 3ukd h ILE 59 N 0.51 1.24 -0.26 -1.22 2.04 -1.27 0.57 117.51 119.12 3ukd h ILE 59 Ca 0.01 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3ukd h ILE 59 Cb 1.11 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3ukd h ILE 59 CO 0.11 0.30 -0.02 0.50 0.00 0.00 0.00 178.15 179.03 3ukd h LYS 60 N 0.96 0.40 -0.54 2.37 3.64 -1.16 -2.23 116.57 120.01 3ukd h LYS 60 Ca 0.23 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ukd h LYS 60 Cb 0.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3ukd h LYS 60 CO -0.02 0.44 0.00 0.09 -2.27 0.00 0.00 179.45 177.69 3ukd n ASN 61 N -4.31 3.65 -1.12 4.20 3.02 -0.79 -4.62 115.26 115.30 3ukd n ASN 61 Ca 0.01 -2.00 -0.13 0.00 -0.03 0.00 0.00 54.58 52.44 3ukd n ASN 61 Cb 0.23 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 3ukd n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ukd n GLY 62 N 1.58 0.83 3.89 7.41 0.00 -0.00 -4.70 105.19 114.19 3ukd n GLY 62 Ca 0.22 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3ukd n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ukd s GLU 63 N -3.59 3.71 -0.19 1.61 2.02 -0.08 -4.60 118.70 117.57 3ukd s GLU 63 Ca 0.00 0.35 -0.25 0.00 0.02 0.00 0.00 54.97 55.09 3ukd s GLU 63 Cb 0.00 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 3ukd s GLU 63 CO 0.00 -0.04 0.83 0.42 0.02 0.00 0.00 175.26 176.49 3ukd s ILE 64 N -2.41 4.87 0.49 -1.63 -1.09 -1.26 -4.50 121.20 115.66 3ukd s ILE 64 Ca 0.49 1.61 -0.24 0.00 -2.23 0.00 0.00 60.65 60.28 3ukd s ILE 64 Cb -0.10 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 3ukd s ILE 64 CO 0.34 -0.01 1.39 -0.69 -1.23 0.00 0.00 174.94 174.75 3ukd s VAL 65 N 2.39 2.10 0.03 2.92 1.01 -1.26 -4.92 120.40 122.66 3ukd s VAL 65 Ca 0.37 0.08 -0.38 0.00 0.00 0.00 0.00 61.98 62.05 3ukd s VAL 65 Cb -0.16 -3.05 -0.17 0.00 0.00 0.00 0.00 36.38 33.00 3ukd s VAL 65 CO 0.11 0.01 1.31 -2.65 0.00 0.00 0.00 175.10 173.87 3ukd n PRO 66 N -0.52 0.86 -0.04 2.72 -0.02 -1.26 -4.84 135.00 131.89 3ukd n PRO 66 Ca 0.07 0.31 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 3ukd n PRO 66 Cb 0.43 -1.92 0.60 0.00 -0.02 0.00 0.00 33.50 32.60 3ukd n PRO 66 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ukd h SER 67 N 4.39 0.17 -0.33 2.55 0.02 -1.91 -1.73 113.55 116.70 3ukd h SER 67 Ca -0.48 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.56 3ukd h SER 67 Cb 1.36 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 3ukd h SER 67 CO 0.76 0.09 0.23 -0.29 -1.14 0.00 0.00 176.83 176.49 3ukd h ILE 68 N 0.18 0.87 0.03 3.27 2.10 -1.97 0.14 117.51 122.14 3ukd h ILE 68 Ca 0.27 -0.03 -0.05 0.00 1.08 0.00 0.00 64.86 66.13 3ukd h ILE 68 Cb 0.82 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 3ukd h ILE 68 CO -0.05 0.01 -0.25 0.58 -1.08 0.00 0.00 178.15 177.37 3ukd h VAL 69 N 0.08 1.69 -0.26 2.19 2.07 -1.67 -3.27 116.25 117.07 3ukd h VAL 69 Ca 0.15 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 3ukd h VAL 69 Cb 0.52 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 3ukd h VAL 69 CO -0.01 0.62 -0.08 0.74 0.02 0.00 0.00 177.57 178.86 3ukd h THR 70 N -0.86 1.29 -0.22 2.57 2.02 -1.31 -2.53 112.91 113.86 3ukd h THR 70 Ca -0.05 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 65.94 3ukd h THR 70 Cb 1.16 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3ukd h THR 70 CO 0.02 0.35 -0.24 0.58 0.37 0.00 0.00 175.52 176.60 3ukd h VAL 71 N 0.26 1.25 -0.61 3.16 2.07 -0.93 -1.41 116.25 120.04 3ukd h VAL 71 Ca 0.06 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 3ukd h VAL 71 Cb 0.56 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3ukd h VAL 71 CO 0.03 0.38 0.31 0.50 0.02 0.00 0.00 177.57 178.81 3ukd h LYS 72 N 0.37 0.87 -0.53 1.57 3.64 -1.55 0.14 116.57 121.07 3ukd h LYS 72 Ca 0.06 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3ukd h LYS 72 Cb 0.62 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3ukd h LYS 72 CO 0.04 0.68 0.01 -0.07 -2.27 0.00 0.00 179.45 177.85 3ukd h LEU 73 N 0.83 0.87 -0.39 5.20 3.38 -0.93 -1.35 115.31 122.93 3ukd h LEU 73 Ca 0.21 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3ukd h LEU 73 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ukd h LEU 73 CO -0.03 0.92 -0.46 -0.07 0.09 0.00 0.00 178.44 178.89 3ukd h LEU 74 N 0.83 0.94 -0.44 1.67 3.38 -0.96 -3.06 115.31 117.67 3ukd h LEU 74 Ca 0.16 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 3ukd h LEU 74 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ukd h LEU 74 CO 0.02 1.25 -0.16 0.50 0.09 0.00 0.00 178.44 180.14 3ukd h LYS 75 N 0.69 0.88 -0.68 1.13 3.64 -0.46 -1.57 116.57 120.20 3ukd h LYS 75 Ca 0.04 -0.36 0.06 0.00 -1.27 0.00 0.00 60.65 59.11 3ukd h LYS 75 Cb 1.05 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 3ukd h LYS 75 CO 0.11 1.01 0.38 -0.91 -2.27 0.00 0.00 179.45 177.77 3ukd h ASN 76 N 0.72 0.57 -0.26 4.20 2.35 -1.27 0.12 115.58 122.00 3ukd h ASN 76 Ca 0.10 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 3ukd h ASN 76 Cb 0.72 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3ukd h ASN 76 CO 0.05 0.37 -0.39 0.00 -1.65 0.00 0.00 177.43 175.81 3ukd h ALA 77 N 1.35 0.68 -0.33 -0.83 0.00 -1.40 -2.57 119.26 116.17 3ukd h ALA 77 Ca 0.31 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3ukd h ALA 77 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ukd h ALA 77 CO -0.18 0.67 -0.33 0.82 0.00 0.00 0.00 179.25 180.23 3ukd h ILE 78 N 0.66 1.28 0.00 0.00 2.04 -0.66 -2.96 117.51 117.87 3ukd h ILE 78 Ca 0.05 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 3ukd h ILE 78 Cb 0.95 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3ukd h ILE 78 CO 0.09 0.48 -0.36 0.44 0.00 0.00 0.00 178.15 178.80 3ukd h ASP 79 N 0.60 0.00 0.89 1.72 3.32 -0.73 -2.20 116.42 120.02 3ukd h ASP 79 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ukd h ASP 79 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3ukd h ASP 79 CO 0.07 0.36 -0.04 0.00 -1.72 0.00 0.00 179.24 177.92 3ukd n ALA 80 N -2.26 2.45 -2.97 3.45 0.00 -0.97 -4.13 120.51 116.07 3ukd n ALA 80 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 3ukd n ALA 80 Cb 0.53 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 3ukd n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ukd n ASN 81 N -1.45 3.73 -4.73 0.00 3.02 -0.83 -5.07 115.26 109.93 3ukd n ASN 81 Ca 0.08 -3.54 -0.42 0.00 -0.03 0.00 0.00 54.58 50.67 3ukd n ASN 81 Cb 0.32 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3ukd n ASN 81 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ukd s GLN 82 N -3.27 4.21 0.00 3.52 -0.21 -1.25 -2.95 119.66 119.71 3ukd s GLN 82 Ca 0.47 2.40 0.00 0.00 0.02 0.00 0.00 55.36 58.25 3ukd s GLN 82 Cb 0.30 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 31.20 3ukd s GLN 82 CO -0.13 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.89 3ukd n GLY 83 N 3.07 0.74 3.69 3.09 0.00 -1.26 -5.07 105.19 109.45 3ukd n GLY 83 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3ukd n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ukd s LYS 84 N -0.78 2.48 0.15 1.61 -0.14 -1.15 -5.09 119.74 116.82 3ukd s LYS 84 Ca 0.00 -1.20 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 3ukd s LYS 84 Cb 0.00 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.78 3ukd s LYS 84 CO 0.00 0.41 0.21 -0.80 -0.76 0.00 0.00 175.35 174.41 3ukd s ASN 85 N -3.38 5.96 -0.08 2.83 0.01 -1.26 -4.50 114.94 114.52 3ukd s ASN 85 Ca 0.30 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.51 3ukd s ASN 85 Cb -0.08 -1.70 0.01 0.00 0.41 0.00 0.00 41.25 39.90 3ukd s ASN 85 CO 0.20 0.07 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.37 3ukd s PHE 86 N -1.73 1.62 -0.55 2.20 0.08 0.28 -0.42 117.98 119.47 3ukd s PHE 86 Ca 0.33 -0.64 -0.19 0.00 0.12 0.00 0.00 56.93 56.54 3ukd s PHE 86 Cb -0.11 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 3ukd s PHE 86 CO 0.26 -0.33 0.68 -0.51 -0.10 0.00 0.00 175.22 175.22 3ukd s LEU 87 N 0.74 5.05 -0.36 -0.37 1.43 -0.20 -0.73 118.68 124.24 3ukd s LEU 87 Ca -0.13 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 3ukd s LEU 87 Cb -0.16 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3ukd s LEU 87 CO 0.03 -1.01 0.44 0.68 0.23 0.00 0.00 176.35 176.72 3ukd s VAL 88 N 2.78 5.08 -0.25 -1.59 -7.23 -0.34 -1.11 120.40 117.74 3ukd s VAL 88 Ca 0.15 0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 3ukd s VAL 88 Cb -0.21 -3.92 -0.05 0.00 0.56 0.00 0.00 36.38 32.77 3ukd s VAL 88 CO 0.10 -0.20 0.25 -0.62 -0.31 0.00 0.00 175.10 174.33 3ukd s ASP 89 N 1.76 6.17 -0.07 4.85 -1.08 -0.06 -0.09 116.67 128.14 3ukd s ASP 89 Ca 0.15 0.18 -0.00 0.00 -0.52 0.00 0.00 52.55 52.35 3ukd s ASP 89 Cb -0.16 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 3ukd s ASP 89 CO 0.13 -0.05 0.02 0.61 0.52 0.00 0.00 175.17 176.40 3ukd n GLY 90 N 4.56 0.54 3.64 2.66 0.00 -0.12 -1.52 105.19 114.96 3ukd n GLY 90 Ca -0.12 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3ukd n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ukd s PHE 91 N -2.41 -0.80 0.23 1.61 2.19 -1.26 -4.52 117.98 113.02 3ukd s PHE 91 Ca 0.01 1.80 -0.22 0.00 0.33 0.00 0.00 56.93 58.85 3ukd s PHE 91 Cb -0.00 0.40 -0.09 0.00 -1.31 0.00 0.00 43.02 42.02 3ukd s PHE 91 CO 0.01 -0.39 0.78 -1.25 1.83 0.00 0.00 175.22 176.20 3ukd s PRO 92 N 0.80 4.39 -0.00 10.12 0.04 -1.26 -4.41 135.00 144.66 3ukd s PRO 92 Ca -0.03 1.02 0.13 0.00 0.04 0.00 0.00 61.00 62.16 3ukd s PRO 92 Cb -0.05 -2.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.41 3ukd s PRO 92 CO -0.08 0.41 0.50 0.54 0.04 0.00 0.00 177.00 178.41 3ukd n ARG 93 N 0.86 2.57 -3.80 4.56 1.74 -1.26 -4.94 116.66 116.39 3ukd n ARG 93 Ca -0.02 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 3ukd n ARG 93 Cb 0.50 -1.12 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 3ukd n ARG 93 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3ukd n ASN 94 N -1.37 -1.14 -0.33 0.55 0.23 -1.26 -2.88 115.26 109.05 3ukd n ASN 94 Ca 0.02 -2.76 -0.04 0.00 -0.53 0.00 0.00 54.58 51.27 3ukd n ASN 94 Cb 0.21 2.18 0.09 0.00 -2.08 0.00 0.00 39.78 40.18 3ukd n ASN 94 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ukd h GLU 95 N 0.00 1.23 0.02 -3.83 4.81 -1.96 -2.35 114.58 112.50 3ukd h GLU 95 Ca -0.24 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3ukd h GLU 95 Cb 1.08 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3ukd h GLU 95 CO 0.33 0.87 -0.02 1.49 -0.73 0.00 0.00 179.01 180.95 3ukd h GLU 96 N 1.24 -0.04 -0.61 1.92 4.81 -1.98 0.23 114.58 120.14 3ukd h GLU 96 Ca 0.32 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.65 3ukd h GLU 96 Cb -0.04 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.24 3ukd h GLU 96 CO -0.06 -0.03 -0.42 -0.91 -0.73 0.00 0.00 179.01 176.86 3ukd h ASN 97 N -0.04 -1.45 -0.42 1.04 -0.26 -1.92 0.65 115.58 113.18 3ukd h ASN 97 Ca 0.00 0.25 0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3ukd h ASN 97 Cb 0.04 0.67 -0.03 0.00 -1.06 0.00 0.00 38.32 37.94 3ukd h ASN 97 CO -0.01 -0.33 0.24 -1.13 -1.06 0.00 0.00 177.43 175.15 3ukd h ASN 98 N -0.20 0.38 -0.34 5.81 -1.24 -0.86 -0.89 115.58 118.24 3ukd h ASN 98 Ca 0.20 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.14 3ukd h ASN 98 Cb 0.56 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 3ukd h ASN 98 CO -0.71 0.27 -0.04 0.78 -1.29 0.00 0.00 177.43 176.45 3ukd h ASN 99 N 0.49 0.70 0.52 1.15 -0.26 -0.07 -1.66 115.58 116.45 3ukd h ASN 99 Ca 0.17 -0.18 -0.15 0.00 -0.56 0.00 0.00 56.30 55.58 3ukd h ASN 99 Cb 0.03 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3ukd h ASN 99 CO -0.09 0.80 -0.68 -1.28 -1.06 0.00 0.00 177.43 175.12 3ukd h SER 100 N 0.68 0.16 0.29 5.81 0.87 -0.55 -0.89 113.55 119.91 3ukd h SER 100 Ca 0.13 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3ukd h SER 100 Cb 0.48 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3ukd h SER 100 CO 0.02 0.79 -0.14 -0.25 -0.53 0.00 0.00 176.83 176.73 3ukd h TRP 101 N 0.10 -0.36 0.00 2.24 2.91 -0.81 -2.13 115.95 117.89 3ukd h TRP 101 Ca -0.01 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 3ukd h TRP 101 Cb 1.21 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.97 3ukd h TRP 101 CO 0.01 -0.08 -0.17 0.93 -1.03 0.00 0.00 178.44 178.10 3ukd h GLU 102 N -0.60 0.00 -0.19 2.65 5.08 -1.15 0.25 114.58 120.63 3ukd h GLU 102 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3ukd h GLU 102 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ukd h GLU 102 CO 0.06 0.17 -0.60 0.93 -1.00 0.00 0.00 179.01 178.57 3ukd h GLU 103 N 0.00 0.63 0.00 2.33 3.07 -1.14 -3.26 114.58 116.21 3ukd h GLU 103 Ca -0.00 -0.43 -0.28 0.00 -0.50 0.00 0.00 59.36 58.16 3ukd h GLU 103 Cb 0.33 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 3ukd h GLU 103 CO 0.02 1.04 -2.28 0.09 -1.40 0.00 0.00 179.01 176.49 3ukd n ASN 104 N -3.95 0.08 -0.01 1.42 4.13 -0.81 -4.76 115.26 111.37 3ukd n ASN 104 Ca -0.04 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.23 3ukd n ASN 104 Cb 0.64 1.23 -0.04 0.00 -1.54 0.00 0.00 39.78 40.07 3ukd n ASN 104 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3ukd n MET 105 N -2.62 1.40 -0.34 3.52 2.81 0.84 -4.84 117.12 117.88 3ukd n MET 105 Ca -0.26 -0.03 0.10 0.00 -1.81 0.00 0.00 57.70 55.70 3ukd n MET 105 Cb 1.01 -1.12 0.29 0.00 -0.71 0.00 0.00 33.22 32.69 3ukd n MET 105 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3ukd h LYS 106 N 0.00 0.84 -0.01 0.03 3.64 -1.62 0.34 116.57 119.81 3ukd h LYS 106 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ukd h LYS 106 Cb 0.65 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3ukd h LYS 106 CO 0.00 0.56 -0.13 -0.40 -2.27 0.00 0.00 179.45 177.21 3ukd n ASP 107 N -4.64 0.69 -0.07 4.20 5.68 -1.26 -3.91 116.55 117.23 3ukd n ASP 107 Ca 0.20 -0.77 -0.10 0.00 -0.50 0.00 0.00 54.79 53.62 3ukd n ASP 107 Cb 0.44 -0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 40.26 3ukd n ASP 107 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3ukd n PHE 108 N -0.77 0.42 -4.47 2.11 3.01 0.11 -5.00 117.46 112.88 3ukd n PHE 108 Ca 0.15 0.15 -0.22 0.00 1.01 0.00 0.00 57.45 58.53 3ukd n PHE 108 Cb 0.29 -1.08 -0.11 0.00 -0.01 0.00 0.00 39.48 38.58 3ukd n PHE 108 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3ukd s VAL 109 N -2.53 1.39 -0.49 -4.37 -7.23 -0.76 -4.18 120.40 102.23 3ukd s VAL 109 Ca -0.10 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.04 3ukd s VAL 109 Cb 0.07 -2.74 0.13 0.00 0.56 0.00 0.00 36.38 34.40 3ukd s VAL 109 CO 0.82 -0.07 0.27 -0.62 -0.31 0.00 0.00 175.10 175.18 3ukd s ASP 110 N -3.50 5.03 -0.38 4.85 -1.08 0.38 -4.82 116.67 117.16 3ukd s ASP 110 Ca 0.35 -2.48 -0.25 0.00 -0.52 0.00 0.00 52.55 49.65 3ukd s ASP 110 Cb 0.08 -1.78 0.02 0.00 -1.46 0.00 0.00 42.92 39.78 3ukd s ASP 110 CO 0.15 -0.41 0.91 0.28 0.52 0.00 0.00 175.17 176.62 3ukd s THR 111 N 0.48 4.59 -0.17 1.71 -1.32 -1.26 -1.59 115.64 118.09 3ukd s THR 111 Ca 0.13 1.11 -0.18 0.00 -1.21 0.00 0.00 61.69 61.54 3ukd s THR 111 Cb -0.22 -4.33 -0.15 0.00 -1.51 0.00 0.00 72.50 66.29 3ukd s THR 111 CO -0.04 -0.55 0.22 0.11 -2.21 0.00 0.00 174.62 172.15 3ukd h LYS 112 N 8.53 0.00 -3.11 7.08 1.79 -1.45 -3.48 116.57 125.93 3ukd h LYS 112 Ca -0.23 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.25 3ukd h LYS 112 Cb 1.08 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.65 3ukd h LYS 112 CO 0.98 0.68 0.15 -0.59 -1.08 0.00 0.00 179.45 179.59 3ukd s PHE 113 N -2.22 -0.24 -0.23 -1.35 -0.71 -1.26 -4.97 117.98 106.99 3ukd s PHE 113 Ca -0.21 -0.12 -0.13 0.00 -1.04 0.00 0.00 56.93 55.43 3ukd s PHE 113 Cb 0.03 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 3ukd s PHE 113 CO 0.47 -1.03 0.28 0.08 -1.34 0.00 0.00 175.22 173.67 3ukd s VAL 114 N -3.87 5.27 -0.38 -2.49 1.01 0.12 -2.42 120.40 117.65 3ukd s VAL 114 Ca 0.08 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 3ukd s VAL 114 Cb -0.03 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3ukd s VAL 114 CO -0.01 0.28 0.41 -0.22 0.00 0.00 0.00 175.10 175.55 3ukd s LEU 115 N 1.35 4.64 -0.23 3.92 2.96 0.40 -0.56 118.68 131.16 3ukd s LEU 115 Ca 0.13 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3ukd s LEU 115 Cb -0.14 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 3ukd s LEU 115 CO 0.07 -0.46 -0.01 0.12 -1.32 0.00 0.00 176.35 174.75 3ukd s PHE 116 N 2.10 3.00 -0.39 5.38 5.36 0.40 -0.42 117.98 133.40 3ukd s PHE 116 Ca 0.12 -0.79 -0.20 0.00 -0.96 0.00 0.00 56.93 55.10 3ukd s PHE 116 Cb -0.17 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.38 3ukd s PHE 116 CO 0.13 -0.49 0.64 -0.06 -1.46 0.00 0.00 175.22 173.97 3ukd s PHE 117 N 1.52 3.11 -0.25 10.12 0.08 -0.40 -1.22 117.98 130.94 3ukd s PHE 117 Ca 0.06 0.16 -0.14 0.00 0.12 0.00 0.00 56.93 57.13 3ukd s PHE 117 Cb -0.15 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 3ukd s PHE 117 CO -0.01 -0.73 0.35 0.34 -0.10 0.00 0.00 175.22 175.06 3ukd s ASP 118 N 1.89 6.27 -0.09 1.36 2.15 -0.57 -4.16 116.67 123.53 3ukd s ASP 118 Ca 0.23 0.31 -0.10 0.00 0.43 0.00 0.00 52.55 53.43 3ukd s ASP 118 Cb -0.14 -2.20 0.02 0.00 -0.30 0.00 0.00 42.92 40.30 3ukd s ASP 118 CO 0.17 -0.13 0.27 0.00 -0.17 0.00 0.00 175.17 175.31 3ukd s PRO 120 N -0.12 3.68 0.32 0.00 0.04 -1.26 -4.93 135.00 132.74 3ukd s PRO 120 Ca -0.02 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.06 3ukd s PRO 120 Cb -0.03 -2.48 0.73 0.00 0.04 0.00 0.00 34.50 32.77 3ukd s PRO 120 CO 0.01 -0.68 1.83 0.93 0.04 0.00 0.00 177.00 179.14 3ukd h GLU 121 N 2.10 0.77 -0.51 4.56 5.08 -1.99 -2.19 114.58 122.40 3ukd h GLU 121 Ca -0.50 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 3ukd h GLU 121 Cb 1.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3ukd h GLU 121 CO 0.60 0.51 0.08 0.93 -1.00 0.00 0.00 179.01 180.13 3ukd h GLU 122 N 0.79 0.81 -0.05 2.33 3.07 -1.99 0.39 114.58 119.92 3ukd h GLU 122 Ca 0.50 -0.18 -0.23 0.00 -0.50 0.00 0.00 59.36 58.95 3ukd h GLU 122 Cb 0.73 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3ukd h GLU 122 CO -0.27 0.76 -0.89 0.28 -1.40 0.00 0.00 179.01 177.49 3ukd h VAL 123 N 0.77 1.33 -0.54 3.13 2.07 -1.81 -2.99 116.25 118.22 3ukd h VAL 123 Ca 0.16 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.38 3ukd h VAL 123 Cb 0.35 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3ukd h VAL 123 CO 0.01 0.68 0.02 0.24 0.02 0.00 0.00 177.57 178.53 3ukd h MET 124 N 0.36 0.91 -0.61 1.57 2.86 -1.14 -1.55 114.93 117.32 3ukd h MET 124 Ca -0.08 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3ukd h MET 124 Cb 1.52 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.05 3ukd h MET 124 CO 0.17 0.89 0.34 1.15 1.06 0.00 0.00 176.91 180.52 3ukd h THR 125 N 0.84 1.19 -0.23 2.22 2.02 -0.93 -0.11 112.91 117.91 3ukd h THR 125 Ca 0.16 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 3ukd h THR 125 Cb 0.48 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ukd h THR 125 CO 0.02 0.21 -0.14 1.56 0.37 0.00 0.00 175.52 177.54 3ukd h GLN 126 N 0.82 0.50 -0.94 6.66 1.08 -1.33 -0.94 115.11 120.96 3ukd h GLN 126 Ca 0.21 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 3ukd h GLN 126 Cb 0.04 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 3ukd h GLN 126 CO -0.04 0.79 0.61 0.00 -0.95 0.00 0.00 178.83 179.24 3ukd h ARG 127 N 0.21 1.01 -0.01 1.46 3.08 -1.05 -1.04 114.38 118.04 3ukd h ARG 127 Ca 0.05 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 3ukd h ARG 127 Cb 0.65 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3ukd h ARG 127 CO 0.04 0.67 -0.96 -0.07 -1.07 0.00 0.00 179.97 178.58 3ukd h LEU 128 N 1.04 0.65 -0.56 3.04 3.38 -0.51 -0.46 115.31 121.88 3ukd h LEU 128 Ca 0.42 -0.51 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3ukd h LEU 128 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ukd h LEU 128 CO -0.17 1.31 -0.21 -0.07 0.09 0.00 0.00 178.44 179.39 3ukd h LEU 129 N 0.29 0.95 -0.01 1.67 3.38 -0.98 0.42 115.31 121.03 3ukd h LEU 129 Ca -0.09 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ukd h LEU 129 Cb 1.60 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3ukd h LEU 129 CO 0.17 1.12 0.00 0.50 0.09 0.00 0.00 178.44 180.33 3ukd h LYS 130 N 0.81 0.01 -0.01 1.13 3.64 -1.16 -2.53 116.57 118.46 3ukd h LYS 130 Ca 0.11 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3ukd h LYS 130 Cb 0.77 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3ukd h LYS 130 CO 0.06 0.11 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.22 3ukd h ARG 131 N -0.10 0.01 0.00 1.90 2.43 -0.93 -1.54 114.38 116.16 3ukd h ARG 131 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ukd h ARG 131 Cb 0.11 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ukd h ARG 131 CO -0.00 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 3ukd n GLY 132 N -1.39 -1.21 0.16 2.80 0.00 0.12 -0.76 105.19 104.91 3ukd n GLY 132 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.10 3ukd n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ukd h GLU 133 N 0.00 0.00 0.00 1.61 5.08 -1.21 -3.38 114.58 116.68 3ukd h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ukd h GLU 133 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ukd h GLU 133 CO 0.00 0.49 -0.81 -1.13 -1.00 0.00 0.00 179.01 176.56 3ukd n SER 134 N -3.91 4.06 -0.16 1.42 3.41 -0.90 -4.82 113.62 112.71 3ukd n SER 134 Ca -0.01 -0.03 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 3ukd n SER 134 Cb 0.52 0.87 0.27 0.00 -0.26 0.00 0.00 64.21 65.60 3ukd n SER 134 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ukd h SER 135 N 0.00 0.78 -1.94 4.04 4.64 -1.13 -3.46 113.55 116.48 3ukd h SER 135 Ca 0.00 -0.04 -0.32 0.00 -0.47 0.00 0.00 61.79 60.96 3ukd h SER 135 Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3ukd h SER 135 CO 0.00 0.60 -0.38 0.61 -0.87 0.00 0.00 176.83 176.78 3ukd n GLY 136 N -1.33 0.13 3.78 -0.77 0.00 -1.26 -5.00 105.19 100.74 3ukd n GLY 136 Ca 0.06 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3ukd n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ukd s ARG 137 N -4.48 4.53 0.39 1.61 0.52 -1.26 -4.97 118.95 115.29 3ukd s ARG 137 Ca 0.00 1.15 0.28 0.00 -0.52 0.00 0.00 55.73 56.64 3ukd s ARG 137 Cb 0.00 -3.12 1.20 0.00 0.52 0.00 0.00 34.95 33.55 3ukd s ARG 137 CO 0.00 0.49 1.84 0.66 0.02 0.00 0.00 175.30 178.31 3ukd h SER 138 N 3.95 0.00 -0.40 0.23 4.64 -1.96 -2.99 113.55 117.02 3ukd h SER 138 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ukd h SER 138 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ukd h SER 138 CO 0.66 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 3ukd n ASP 139 N -2.60 3.20 -3.17 4.97 5.75 -1.26 -4.66 116.55 118.79 3ukd n ASP 139 Ca 0.01 -1.92 -0.36 0.00 -0.01 0.00 0.00 54.79 52.50 3ukd n ASP 139 Cb 0.24 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 3ukd n ASP 139 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ukd n ASP 140 N 1.12 7.43 -3.22 -1.12 8.00 -1.13 -3.89 116.55 123.74 3ukd n ASP 140 Ca 0.16 -3.33 -0.19 0.00 0.71 0.00 0.00 54.79 52.14 3ukd n ASP 140 Cb 0.51 -1.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.27 3ukd n ASP 140 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ukd n ASN 141 N 0.94 -0.68 -0.76 -2.24 0.23 -1.26 -4.52 115.26 106.97 3ukd n ASN 141 Ca 0.55 -3.17 0.12 0.00 -0.53 0.00 0.00 54.58 51.56 3ukd n ASN 141 Cb 0.33 1.65 0.18 0.00 -2.08 0.00 0.00 39.78 39.87 3ukd n ASN 141 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ukd n ILE 142 N -0.63 0.00 0.14 1.53 3.06 -1.26 -0.78 119.36 121.42 3ukd n ILE 142 Ca 0.08 -0.40 -0.13 0.00 -2.50 0.00 0.00 62.75 59.80 3ukd n ILE 142 Cb 0.60 1.21 -0.08 0.00 0.54 0.00 0.00 39.64 41.91 3ukd n ILE 142 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3ukd h GLU 143 N 3.73 -0.37 -0.40 9.51 4.57 -1.97 -1.14 114.58 128.52 3ukd h GLU 143 Ca 0.00 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3ukd h GLU 143 Cb 0.84 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 3ukd h GLU 143 CO 0.00 -0.04 -0.29 0.77 -1.18 0.00 0.00 179.01 178.28 3ukd h SER 144 N -0.75 0.89 -0.58 1.04 0.02 -1.73 -2.81 113.55 109.62 3ukd h SER 144 Ca -0.04 -0.36 0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3ukd h SER 144 Cb 0.50 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 3ukd h SER 144 CO 0.06 1.11 0.24 0.40 -1.14 0.00 0.00 176.83 177.51 3ukd h ILE 145 N 0.73 0.83 -0.05 3.27 2.04 -0.55 0.11 117.51 123.88 3ukd h ILE 145 Ca 0.08 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 3ukd h ILE 145 Cb 0.84 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3ukd h ILE 145 CO 0.07 0.08 -0.55 0.11 0.00 0.00 0.00 178.15 177.86 3ukd h LYS 146 N 0.45 0.14 -0.58 2.37 1.79 -1.06 -1.09 116.57 118.59 3ukd h LYS 146 Ca 0.28 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 3ukd h LYS 146 Cb 0.30 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 3ukd h LYS 146 CO -0.26 0.66 0.09 0.87 -1.08 0.00 0.00 179.45 179.73 3ukd h LYS 147 N 0.11 0.94 -0.32 3.15 1.57 -1.03 -2.31 116.57 118.68 3ukd h LYS 147 Ca -0.00 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3ukd h LYS 147 Cb 1.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3ukd h LYS 147 CO 0.08 0.88 -0.19 0.00 -0.57 0.00 0.00 179.45 179.64 3ukd h ARG 148 N 0.89 0.59 -0.40 3.15 3.08 0.25 -2.24 114.38 119.69 3ukd h ARG 148 Ca 0.18 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ukd h ARG 148 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3ukd h ARG 148 CO 0.01 0.75 0.19 0.74 -1.07 0.00 0.00 179.97 180.59 3ukd h PHE 149 N 0.53 0.58 -0.34 3.04 0.04 -0.92 -0.51 116.94 119.35 3ukd h PHE 149 Ca 0.08 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3ukd h PHE 149 Cb 0.63 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3ukd h PHE 149 CO 0.02 0.48 0.15 -0.97 -0.60 0.00 0.00 178.31 177.40 3ukd h ASN 150 N 0.51 0.45 -0.83 2.17 -1.24 -1.06 0.38 115.58 115.95 3ukd h ASN 150 Ca 0.14 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3ukd h ASN 150 Cb 0.12 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3ukd h ASN 150 CO -0.02 0.46 0.54 0.74 -1.29 0.00 0.00 177.43 177.86 3ukd h THR 151 N 0.41 1.22 -0.28 -3.57 2.02 -1.27 0.12 112.91 111.56 3ukd h THR 151 Ca 0.12 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3ukd h THR 151 Cb 0.14 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3ukd h THR 151 CO -0.01 0.22 0.13 0.15 0.37 0.00 0.00 175.52 176.38 3ukd h PHE 152 N 1.14 0.40 -0.49 3.16 3.57 -0.49 -0.69 116.94 123.54 3ukd h PHE 152 Ca 0.30 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3ukd h PHE 152 Cb -0.10 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3ukd h PHE 152 CO 0.00 0.37 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.42 3ukd h ASN 153 N 0.31 0.93 0.20 0.41 2.35 0.35 -2.25 115.58 117.88 3ukd h ASN 153 Ca 0.10 -0.30 -0.35 0.00 -0.55 0.00 0.00 56.30 55.19 3ukd h ASN 153 Cb 0.12 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3ukd h ASN 153 CO -0.01 1.06 -1.82 0.58 -1.65 0.00 0.00 177.43 175.58 3ukd h VAL 154 N 0.82 0.84 0.00 2.81 2.07 -0.76 -3.39 116.25 118.64 3ukd h VAL 154 Ca 0.13 -2.48 -0.37 0.00 0.82 0.00 0.00 66.70 64.79 3ukd h VAL 154 Cb 0.66 2.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 3ukd h VAL 154 CO 0.05 0.86 -2.29 0.00 0.02 0.00 0.00 177.57 176.20 3ukd n GLN 155 N -3.52 0.52 0.07 1.57 6.02 -0.27 -4.65 117.38 117.12 3ukd n GLN 155 Ca -0.26 0.18 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 3ukd n GLN 155 Cb 1.06 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 30.82 3ukd n GLN 155 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3ukd h THR 156 N -0.51 1.55 -0.20 5.09 2.02 -1.31 -3.22 112.91 116.33 3ukd h THR 156 Ca -0.56 -3.22 -0.02 0.00 0.77 0.00 0.00 66.41 63.38 3ukd h THR 156 Cb 1.62 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.86 3ukd h THR 156 CO -0.25 0.91 0.02 0.11 0.37 0.00 0.00 175.52 176.67 3ukd h LYS 157 N 0.03 0.28 -0.43 6.66 1.57 -1.62 -1.49 116.57 121.57 3ukd h LYS 157 Ca -0.09 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3ukd h LYS 157 Cb 1.87 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 3ukd h LYS 157 CO 0.15 0.30 0.05 -0.07 -0.57 0.00 0.00 179.45 179.31 3ukd h LEU 158 N 0.28 0.62 -0.36 2.94 4.07 -1.82 -1.86 115.31 119.19 3ukd h LEU 158 Ca 0.07 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 3ukd h LEU 158 Cb 0.17 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3ukd h LEU 158 CO 0.00 0.66 -0.34 0.58 -1.08 0.00 0.00 178.44 178.26 3ukd h VAL 159 N 0.64 1.28 -0.59 1.22 2.07 -1.38 -1.75 116.25 117.74 3ukd h VAL 159 Ca 0.14 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 3ukd h VAL 159 Cb 0.32 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3ukd h VAL 159 CO 0.01 0.50 0.20 0.40 0.02 0.00 0.00 177.57 178.70 3ukd h ILE 160 N 0.66 1.24 0.00 4.57 2.04 -1.04 -2.12 117.51 122.86 3ukd h ILE 160 Ca 0.06 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3ukd h ILE 160 Cb 0.93 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3ukd h ILE 160 CO 0.09 0.30 -0.15 0.44 0.00 0.00 0.00 178.15 178.83 3ukd h ASP 161 N 0.83 0.00 -0.42 1.72 3.32 -1.28 -0.07 116.42 120.53 3ukd h ASP 161 Ca 0.19 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3ukd h ASP 161 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3ukd h ASP 161 CO -0.01 0.15 -0.22 -0.74 -1.72 0.00 0.00 179.24 176.71 3ukd h HIS 162 N 0.00 1.02 0.00 4.55 -0.00 -0.75 -2.68 115.15 117.29 3ukd h HIS 162 Ca -0.00 -0.26 -0.09 0.00 -0.00 0.00 0.00 60.37 60.02 3ukd h HIS 162 Cb 0.79 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 3ukd h HIS 162 CO 0.00 1.04 -0.42 1.88 -0.00 0.00 0.00 177.93 180.43 3ukd h TYR 163 N 0.70 0.00 0.00 5.26 0.05 -0.72 -3.29 116.97 118.97 3ukd h TYR 163 Ca 0.09 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 3ukd h TYR 163 Cb 0.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3ukd h TYR 163 CO 0.06 0.42 -0.24 -0.97 -1.05 0.00 0.00 178.16 176.38 3ukd h ASN 164 N 0.00 0.00 1.50 3.88 -0.00 -0.80 -0.77 115.58 119.39 3ukd h ASN 164 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3ukd h ASN 164 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.43 3ukd h ASN 164 CO 0.06 0.24 -0.18 0.07 -0.00 0.00 0.00 177.43 177.62 3ukd h LYS 165 N 0.00 0.00 -0.40 6.67 2.10 -1.55 -2.22 116.57 121.17 3ukd h LYS 165 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ukd h LYS 165 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3ukd h LYS 165 CO 0.03 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.67 3ukd n PHE 166 N -2.52 0.53 -2.00 0.07 3.01 -0.94 -4.90 117.46 110.72 3ukd n PHE 166 Ca 0.04 -0.27 -0.14 0.00 1.01 0.00 0.00 57.45 58.09 3ukd n PHE 166 Cb 0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 3ukd n PHE 166 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ukd n ASP 167 N 0.82 -4.48 -1.19 4.37 8.00 -0.83 -4.92 116.55 118.32 3ukd n ASP 167 Ca 0.16 0.10 0.09 0.00 0.71 0.00 0.00 54.79 55.86 3ukd n ASP 167 Cb 0.40 -3.51 0.28 0.00 -0.02 0.00 0.00 41.12 38.27 3ukd n ASP 167 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ukd n LYS 168 N -2.44 3.07 -3.95 -1.24 5.02 -0.34 -4.89 118.16 113.39 3ukd n LYS 168 Ca -0.16 -2.57 -0.35 0.00 -2.02 0.00 0.00 58.31 53.21 3ukd n LYS 168 Cb 0.58 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 3ukd n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ukd s VAL 169 N -1.36 4.74 -0.18 -0.18 1.01 -1.26 0.13 120.40 123.30 3ukd s VAL 169 Ca 0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3ukd s VAL 169 Cb 0.24 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ukd s VAL 169 CO 0.24 0.43 -0.01 -0.54 0.00 0.00 0.00 175.10 175.22 3ukd s LYS 170 N 0.65 3.67 -0.23 2.72 -0.14 0.28 -4.96 119.74 121.73 3ukd s LYS 170 Ca 0.04 -0.50 -0.08 0.00 -1.36 0.00 0.00 55.97 54.06 3ukd s LYS 170 Cb -0.13 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 3ukd s LYS 170 CO 0.02 0.14 0.09 0.42 -0.76 0.00 0.00 175.35 175.25 3ukd s ILE 171 N 0.66 4.64 -0.20 2.17 1.01 -1.26 -0.45 121.20 127.77 3ukd s ILE 171 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 3ukd s ILE 171 Cb -0.14 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 3ukd s ILE 171 CO 0.02 0.37 -0.01 -0.63 0.00 0.00 0.00 174.94 174.69 3ukd s ILE 172 N 1.19 3.82 0.00 2.92 -1.09 -0.35 -4.97 121.20 122.72 3ukd s ILE 172 Ca 0.05 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 3ukd s ILE 172 Cb -0.14 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 3ukd s ILE 172 CO 0.04 0.43 1.38 -2.84 -1.23 0.00 0.00 174.94 172.71 3ukd s PRO 173 N 1.09 4.29 0.00 2.79 0.02 -1.26 -1.51 135.00 140.42 3ukd s PRO 173 Ca 0.02 1.94 0.18 0.00 0.02 0.00 0.00 61.00 63.16 3ukd s PRO 173 Cb -0.14 -3.55 0.19 0.00 0.02 0.00 0.00 34.50 31.01 3ukd s PRO 173 CO 0.01 -0.55 1.12 0.00 -0.33 0.00 0.00 177.00 177.25 3ukd n ALA 174 N 5.26 2.45 -1.99 -1.55 0.00 0.22 -4.65 120.51 120.25 3ukd n ALA 174 Ca 0.13 -0.72 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 3ukd n ALA 174 Cb 0.44 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 3ukd n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ukd n ASN 175 N 1.04 7.70 -3.22 0.00 5.15 -1.26 -4.86 115.26 119.80 3ukd n ASN 175 Ca 0.12 -3.24 -0.17 0.00 -0.60 0.00 0.00 54.58 50.69 3ukd n ASN 175 Cb 0.46 -1.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.35 3ukd n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ukd s ARG 176 N -1.74 1.89 0.52 1.20 0.52 -1.26 -5.13 118.95 114.95 3ukd s ARG 176 Ca 0.53 -1.88 -0.21 0.00 -0.52 0.00 0.00 55.73 53.65 3ukd s ARG 176 Cb 0.22 0.40 -0.08 0.00 0.52 0.00 0.00 34.95 36.02 3ukd s ARG 176 CO -0.13 -0.76 0.91 -0.25 0.02 0.00 0.00 175.30 175.09 3ukd n ASP 177 N -1.54 0.67 0.24 0.23 8.00 -1.26 -4.80 116.55 118.09 3ukd n ASP 177 Ca 0.03 0.89 0.10 0.00 0.71 0.00 0.00 54.79 56.53 3ukd n ASP 177 Cb 0.62 -1.34 0.68 0.00 -0.02 0.00 0.00 41.12 41.06 3ukd n ASP 177 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ukd h VAL 178 N 0.91 0.91 0.01 2.53 3.04 -1.99 -1.03 116.25 120.62 3ukd h VAL 178 Ca -0.46 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 64.96 3ukd h VAL 178 Cb 1.36 0.97 -0.04 0.00 -2.01 0.00 0.00 31.29 31.57 3ukd h VAL 178 CO 0.53 0.00 -1.45 0.78 -1.01 0.00 0.00 177.57 176.42 3ukd h ASN 179 N 0.00 0.02 -0.46 3.17 2.35 -1.98 -1.65 115.58 117.03 3ukd h ASN 179 Ca 0.03 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3ukd h ASN 179 Cb 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3ukd h ASN 179 CO -0.00 1.02 0.01 -0.33 -1.65 0.00 0.00 177.43 176.48 3ukd h GLU 180 N 0.00 0.81 -0.54 0.81 5.08 -1.59 -1.29 114.58 117.85 3ukd h GLU 180 Ca -0.19 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 3ukd h GLU 180 Cb 1.93 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 3ukd h GLU 180 CO 0.10 0.86 0.17 0.28 -1.00 0.00 0.00 179.01 179.42 3ukd h VAL 181 N 0.66 1.23 -0.09 3.13 2.07 -1.26 -2.99 116.25 119.01 3ukd h VAL 181 Ca 0.13 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3ukd h VAL 181 Cb 0.48 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ukd h VAL 181 CO 0.02 0.29 -0.27 0.22 0.02 0.00 0.00 177.57 177.85 3ukd h TYR 182 N 0.75 0.17 -0.49 1.57 3.20 -1.19 -2.48 116.97 118.49 3ukd h TYR 182 Ca 0.17 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3ukd h TYR 182 Cb 0.27 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3ukd h TYR 182 CO 0.02 0.42 0.26 -0.97 -1.64 0.00 0.00 178.16 176.24 3ukd h ASN 183 N 0.14 0.38 -0.21 -2.11 -1.24 -1.08 0.20 115.58 111.66 3ukd h ASN 183 Ca 0.02 0.02 -0.16 0.00 0.71 0.00 0.00 56.30 56.90 3ukd h ASN 183 Cb 0.56 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3ukd h ASN 183 CO 0.04 0.26 -0.44 0.44 -1.29 0.00 0.00 177.43 176.44 3ukd h ASP 184 N 0.50 0.82 -0.48 1.15 3.32 -1.51 -0.85 116.42 119.38 3ukd h ASP 184 Ca 0.21 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3ukd h ASP 184 Cb 0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3ukd h ASP 184 CO -0.14 1.14 0.14 0.58 -1.72 0.00 0.00 179.24 179.25 3ukd h VAL 185 N 0.61 1.23 -0.69 -1.35 2.07 -1.15 -2.11 116.25 114.87 3ukd h VAL 185 Ca 0.04 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 3ukd h VAL 185 Cb 1.00 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3ukd h VAL 185 CO 0.10 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 178.02 3ukd h GLU 186 N 0.65 1.12 -0.37 1.57 4.81 -0.36 -1.85 114.58 120.15 3ukd h GLU 186 Ca 0.16 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3ukd h GLU 186 Cb 0.28 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3ukd h GLU 186 CO -0.00 1.01 -0.11 -0.91 -0.73 0.00 0.00 179.01 178.27 3ukd h ASN 187 N 1.05 0.63 -0.24 1.04 2.35 -1.13 -0.73 115.58 118.57 3ukd h ASN 187 Ca 0.21 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3ukd h ASN 187 Cb 0.42 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3ukd h ASN 187 CO 0.01 0.77 -0.19 0.25 -1.65 0.00 0.00 177.43 176.62 3ukd h LEU 188 N 0.60 0.58 -0.69 1.61 5.85 -0.99 0.26 115.31 122.51 3ukd h LEU 188 Ca 0.11 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 3ukd h LEU 188 Cb 0.53 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ukd h LEU 188 CO 0.03 0.91 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.44 3ukd h PHE 189 N 0.25 0.73 -0.31 1.25 -1.00 -1.09 -1.07 116.94 115.70 3ukd h PHE 189 Ca 0.04 -0.19 -0.03 0.00 2.81 0.00 0.00 57.97 60.59 3ukd h PHE 189 Cb 0.73 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 3ukd h PHE 189 CO 0.07 0.88 0.06 0.87 -1.61 0.00 0.00 178.31 178.58 3ukd h LYS 190 N 0.53 0.51 0.00 1.51 1.57 -1.07 -1.79 116.57 117.82 3ukd h LYS 190 Ca 0.06 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ukd h LYS 190 Cb 0.84 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 3ukd h LYS 190 CO 0.07 0.60 -0.07 0.66 -0.57 0.00 0.00 179.45 180.14 3ukd h SER 191 N 0.34 0.00 0.04 0.86 4.64 -0.60 0.35 113.55 119.17 3ukd h SER 191 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3ukd h SER 191 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ukd h SER 191 CO 0.00 0.07 -0.02 0.23 -0.87 0.00 0.00 176.83 176.24 3ukd n MET 192 N -3.36 1.31 -0.70 4.77 2.81 -0.43 -4.91 117.12 116.61 3ukd n MET 192 Ca -0.01 -0.55 0.00 0.00 -1.81 0.00 0.00 57.70 55.33 3ukd n MET 192 Cb 0.24 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3ukd n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ukd n GLY 193 N 1.13 0.73 0.77 3.03 0.00 0.11 -5.07 105.19 105.89 3ukd n GLY 193 Ca 0.20 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3ukd n GLY 193 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01