#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgc s VAL 6 N 0.00 4.93 -0.32 12.58 1.01 0.36 -4.89 120.40 134.07 3kgc s VAL 6 Ca 0.00 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 3kgc s VAL 6 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3kgc s VAL 6 CO 0.00 0.16 0.65 -0.69 0.00 0.00 0.00 175.10 175.23 3kgc s VAL 7 N 1.17 4.90 -0.28 2.92 1.01 -1.26 -0.55 120.40 128.30 3kgc s VAL 7 Ca 0.44 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 63.14 3kgc s VAL 7 Cb -0.19 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3kgc s VAL 7 CO 0.21 -0.22 0.13 -0.69 0.00 0.00 0.00 175.10 174.53 3kgc s VAL 8 N 2.69 4.61 0.09 2.92 1.01 -0.04 -0.75 120.40 130.94 3kgc s VAL 8 Ca 0.26 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3kgc s VAL 8 Cb -0.15 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3kgc s VAL 8 CO 0.13 0.20 0.58 0.28 0.00 0.00 0.00 175.10 176.29 3kgc s THR 9 N 1.64 4.74 0.16 3.92 -1.32 -0.01 -0.34 115.64 124.42 3kgc s THR 9 Ca 0.06 1.17 -0.03 0.00 -1.21 0.00 0.00 61.69 61.68 3kgc s THR 9 Cb -0.16 -3.88 0.01 0.00 -1.51 0.00 0.00 72.50 66.96 3kgc s THR 9 CO 0.06 0.50 0.26 1.07 -2.21 0.00 0.00 174.62 174.30 3kgc n THR 10 N 1.55 0.00 -3.86 5.08 5.66 -0.65 -2.22 114.28 119.83 3kgc n THR 10 Ca -0.09 -0.61 -0.12 0.00 -3.05 0.00 0.00 64.05 60.18 3kgc n THR 10 Cb 0.51 0.44 -0.12 0.00 -1.55 0.00 0.00 70.33 69.61 3kgc n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3kgc s ILE 11 N -2.61 0.03 -0.59 1.09 2.07 -1.26 -0.50 121.20 119.43 3kgc s ILE 11 Ca 0.10 -0.27 -0.28 0.00 -1.41 0.00 0.00 60.65 58.79 3kgc s ILE 11 Cb -0.01 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.36 3kgc s ILE 11 CO 0.07 -0.15 1.40 -0.76 -1.91 0.00 0.00 174.94 173.59 3kgc s LEU 12 N -0.46 3.37 -0.18 8.50 1.43 -1.26 -4.31 118.68 125.76 3kgc s LEU 12 Ca -0.05 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3kgc s LEU 12 Cb -0.03 -2.97 0.09 0.00 0.03 0.00 0.00 46.19 43.30 3kgc s LEU 12 CO 0.00 -1.74 0.38 -0.70 0.23 0.00 0.00 176.35 174.52 3kgc s GLU 13 N 5.57 0.28 0.35 1.70 2.56 -0.85 -4.99 118.70 123.33 3kgc s GLU 13 Ca 0.50 0.96 -0.25 0.00 0.00 0.00 0.00 54.97 56.18 3kgc s GLU 13 Cb -0.10 0.23 -0.10 0.00 2.00 0.00 0.00 34.13 36.16 3kgc s GLU 13 CO 0.23 -0.27 0.97 -1.12 -0.56 0.00 0.00 175.26 174.51 3kgc s SER 14 N 2.57 7.16 -0.24 -1.70 0.01 -1.26 -0.49 113.70 119.75 3kgc s SER 14 Ca -0.01 1.86 0.06 0.00 1.31 0.00 0.00 55.95 59.17 3kgc s SER 14 Cb -0.12 -2.58 0.49 0.00 0.21 0.00 0.00 66.02 64.03 3kgc s SER 14 CO -0.12 -0.20 1.50 -0.81 0.41 0.00 0.00 173.24 174.03 3kgc n PRO 15 N 0.26 2.60 -0.03 12.44 -0.04 -1.26 -4.89 135.00 144.08 3kgc n PRO 15 Ca 0.03 -2.06 -0.12 0.00 -0.04 0.00 0.00 63.50 61.31 3kgc n PRO 15 Cb 0.50 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 3kgc n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kgc h TYR 16 N 1.53 -0.04 -3.05 0.54 0.05 -1.11 0.08 116.97 114.97 3kgc h TYR 16 Ca 0.25 -0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.79 3kgc h TYR 16 Cb 1.94 0.01 -0.32 0.00 1.01 0.00 0.00 36.73 39.37 3kgc h TYR 16 CO 0.93 0.64 -0.56 0.08 -1.05 0.00 0.00 178.16 178.21 3kgc s VAL 17 N -3.04 -0.19 -0.01 -2.88 1.01 -0.64 -0.33 120.40 114.32 3kgc s VAL 17 Ca -0.16 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3kgc s VAL 17 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3kgc s VAL 17 CO 0.61 0.10 -0.10 -0.04 0.00 0.00 0.00 175.10 175.66 3kgc s MET 18 N 1.77 0.83 0.09 2.72 1.00 0.12 -2.00 119.30 123.83 3kgc s MET 18 Ca -0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 55.69 54.97 3kgc s MET 18 Cb -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 34.83 33.83 3kgc s MET 18 CO -0.07 0.22 1.64 -1.64 0.00 0.00 0.00 175.02 175.16 3kgc s MET 19 N -0.26 4.20 0.52 2.03 -1.94 -1.26 -1.97 119.30 120.62 3kgc s MET 19 Ca 0.04 2.34 -0.22 0.00 -1.71 0.00 0.00 55.69 56.14 3kgc s MET 19 Cb -0.04 -3.49 -0.06 0.00 2.01 0.00 0.00 34.83 33.24 3kgc s MET 19 CO -0.00 -0.70 1.28 1.63 -0.01 0.00 0.00 175.02 177.21 3kgc n LYS 20 N 5.21 1.66 0.17 2.03 5.02 -0.50 -4.88 118.16 126.86 3kgc n LYS 20 Ca 0.15 0.60 0.17 0.00 -2.02 0.00 0.00 58.31 57.22 3kgc n LYS 20 Cb 0.40 -2.46 0.79 0.00 -0.02 0.00 0.00 35.03 33.74 3kgc n LYS 20 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3kgc h LYS 21 N 1.50 0.00 -0.51 1.97 5.09 -1.93 -2.01 116.57 120.67 3kgc h LYS 21 Ca -0.50 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 59.95 3kgc h LYS 21 Cb 1.31 0.00 -0.17 0.00 0.10 0.00 0.00 32.23 33.47 3kgc h LYS 21 CO 0.57 0.00 0.02 0.27 -2.09 0.00 0.00 179.45 178.22 3kgc n ASN 22 N -3.91 3.15 0.19 7.07 6.94 -1.26 -4.79 115.26 122.65 3kgc n ASN 22 Ca 0.03 -3.77 0.17 0.00 -0.02 0.00 0.00 54.58 50.99 3kgc n ASN 22 Cb 0.38 -0.67 0.80 0.00 -2.36 0.00 0.00 39.78 37.94 3kgc n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3kgc h HIS 23 N 1.16 0.00 -0.78 -2.53 2.07 -1.64 -2.00 115.15 111.43 3kgc h HIS 23 Ca 0.32 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.81 3kgc h HIS 23 Cb 1.76 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.71 3kgc h HIS 23 CO 1.14 0.00 0.39 1.05 -3.07 0.00 0.00 177.93 177.43 3kgc h GLU 24 N 0.00 1.11 0.00 5.12 9.09 -1.86 -2.02 114.58 126.01 3kgc h GLU 24 Ca 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3kgc h GLU 24 Cb 0.51 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3kgc h GLU 24 CO -0.00 0.84 0.00 0.00 0.05 0.00 0.00 179.01 179.90 3kgc n MET 25 N -4.32 0.95 -4.38 1.06 3.85 -0.75 -4.88 117.12 108.64 3kgc n MET 25 Ca 0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 57.70 56.58 3kgc n MET 25 Cb 0.13 -1.24 -0.10 0.00 -1.05 0.00 0.00 33.22 30.96 3kgc n MET 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3kgc s LEU 26 N -1.48 2.47 0.09 3.17 1.43 -0.76 -5.14 118.68 118.46 3kgc s LEU 26 Ca 0.22 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 3kgc s LEU 26 Cb 0.10 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 3kgc s LEU 26 CO 0.17 -0.31 -0.12 -1.61 0.23 0.00 0.00 176.35 174.71 3kgc s GLU 27 N -3.72 0.83 6.05 1.70 2.02 -1.26 -4.82 118.70 119.51 3kgc s GLU 27 Ca 0.27 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3kgc s GLU 27 Cb 0.02 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.57 3kgc s GLU 27 CO 0.09 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.92 3kgc n GLY 28 N 0.93 2.89 0.25 -1.39 0.00 -1.26 -2.73 105.19 103.89 3kgc n GLY 28 Ca -0.19 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.55 3kgc n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kgc h ASN 29 N 9.01 0.00 0.47 1.61 2.35 -1.92 -2.36 115.58 124.74 3kgc h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kgc h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kgc h ASN 29 CO 0.00 0.10 0.00 -0.62 -1.65 0.00 0.00 177.43 175.26 3kgc n GLU 30 N -4.17 0.12 0.29 0.81 4.71 -1.10 -2.25 120.64 119.04 3kgc n GLU 30 Ca -0.03 0.42 0.16 0.00 -0.01 0.00 0.00 57.16 57.71 3kgc n GLU 30 Cb 0.18 -1.76 0.85 0.00 -1.01 0.00 0.00 31.44 29.71 3kgc n GLU 30 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kgc h ARG 31 N 0.00 0.00 -6.50 3.49 3.08 -1.52 -3.46 114.38 109.47 3kgc h ARG 31 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3kgc h ARG 31 Cb 0.24 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.13 3kgc h ARG 31 CO 0.00 0.06 -0.76 0.71 -1.07 0.00 0.00 179.97 178.91 3kgc s TYR 32 N -4.12 2.49 0.05 3.04 2.02 -0.95 -1.41 117.35 118.46 3kgc s TYR 32 Ca -0.03 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3kgc s TYR 32 Cb 0.12 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3kgc s TYR 32 CO 0.53 0.52 -0.02 -1.83 -1.57 0.00 0.00 175.55 173.19 3kgc s GLU 33 N -2.82 0.59 0.00 -0.62 -1.05 -0.83 -4.84 118.70 109.13 3kgc s GLU 33 Ca 0.24 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 3kgc s GLU 33 Cb -0.08 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 3kgc s GLU 33 CO 0.13 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.64 3kgc n GLY 34 N 0.29 1.60 0.19 -3.83 0.00 -1.26 0.13 105.19 102.32 3kgc n GLY 34 Ca -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 3kgc n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kgc h TYR 35 N 0.00 0.30 0.00 1.61 5.03 -0.56 -1.25 116.97 122.11 3kgc h TYR 35 Ca 0.00 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 3kgc h TYR 35 Cb 0.00 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3kgc h TYR 35 CO 0.00 0.10 -0.35 0.00 -1.32 0.00 0.00 178.16 176.59 3kgc h VAL 37 N 0.00 1.27 -0.63 0.00 2.07 -1.42 -0.02 116.25 117.52 3kgc h VAL 37 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3kgc h VAL 37 Cb 1.00 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3kgc h VAL 37 CO 0.05 0.26 0.40 0.44 0.02 0.00 0.00 177.57 178.73 3kgc h ASP 38 N -0.08 0.73 -0.55 0.57 3.32 -1.04 -2.35 116.42 117.03 3kgc h ASP 38 Ca 0.03 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3kgc h ASP 38 Cb 0.40 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3kgc h ASP 38 CO 0.01 0.56 0.26 0.25 -1.72 0.00 0.00 179.24 178.60 3kgc h LEU 39 N 0.85 0.72 -0.73 1.55 5.85 -0.87 -2.06 115.31 120.63 3kgc h LEU 39 Ca 0.23 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kgc h LEU 39 Cb -0.06 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3kgc h LEU 39 CO -0.05 0.65 0.44 0.00 -0.34 0.00 0.00 178.44 179.15 3kgc h ALA 40 N 1.10 0.96 -0.84 1.25 0.00 -0.85 -0.25 119.26 120.63 3kgc h ALA 40 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kgc h ALA 40 Cb 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3kgc h ALA 40 CO -0.02 0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.84 3kgc h ALA 41 N 1.33 1.08 -0.26 0.00 0.00 -1.09 -0.73 119.26 119.59 3kgc h ALA 41 Ca 0.30 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3kgc h ALA 41 Cb 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kgc h ALA 41 CO -0.14 0.63 -0.34 0.93 0.00 0.00 0.00 179.25 180.34 3kgc h GLU 42 N 1.18 0.68 -0.32 0.00 4.39 -0.70 -1.61 114.58 118.21 3kgc h GLU 42 Ca 0.29 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3kgc h GLU 42 Cb 0.09 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3kgc h GLU 42 CO -0.04 1.01 0.11 0.82 -1.16 0.00 0.00 179.01 179.74 3kgc h ILE 43 N 0.41 1.20 -0.89 3.13 1.08 -0.93 -1.55 117.51 119.95 3kgc h ILE 43 Ca 0.03 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 3kgc h ILE 43 Cb 0.92 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 3kgc h ILE 43 CO 0.08 0.21 0.59 0.00 -0.69 0.00 0.00 178.15 178.34 3kgc h ALA 44 N 0.95 1.13 -0.00 1.87 0.00 -1.10 0.41 119.26 122.52 3kgc h ALA 44 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kgc h ALA 44 Cb 0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kgc h ALA 44 CO -0.00 0.52 0.00 -0.22 0.00 0.00 0.00 179.25 179.54 3kgc h LYS 45 N 1.19 0.00 -0.10 0.00 3.64 -1.11 0.13 116.57 120.32 3kgc h LYS 45 Ca 0.33 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 3kgc h LYS 45 Cb -0.12 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kgc h LYS 45 CO -0.08 0.09 -0.39 0.45 -2.27 0.00 0.00 179.45 177.26 3kgc h HIS 46 N -0.09 0.24 0.00 1.91 3.86 -0.97 -3.15 115.15 116.95 3kgc h HIS 46 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3kgc h HIS 46 Cb 0.09 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3kgc h HIS 46 CO -0.05 0.57 -0.88 0.00 0.86 0.00 0.00 177.93 178.43 3kgc n GLY 48 N 1.36 0.39 3.19 0.00 0.00 0.39 -5.06 105.19 105.46 3kgc n GLY 48 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 3kgc n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kgc s PHE 49 N -3.08 1.18 0.18 1.61 -0.12 -0.76 -5.06 117.98 111.94 3kgc s PHE 49 Ca 0.05 -0.58 -0.08 0.00 -0.05 0.00 0.00 56.93 56.27 3kgc s PHE 49 Cb -0.02 -0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 41.66 3kgc s PHE 49 CO 0.17 0.05 0.47 0.15 -0.05 0.00 0.00 175.22 176.01 3kgc s LYS 50 N -2.51 3.72 0.08 1.99 1.02 -1.26 -4.63 119.74 118.15 3kgc s LYS 50 Ca 0.05 0.11 -0.08 0.00 0.02 0.00 0.00 55.97 56.06 3kgc s LYS 50 Cb -0.05 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3kgc s LYS 50 CO 0.01 0.40 0.18 1.52 -0.92 0.00 0.00 175.35 176.54 3kgc s TYR 51 N -1.72 0.15 -0.13 3.18 1.13 -1.26 -0.49 117.35 118.21 3kgc s TYR 51 Ca 0.44 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.55 3kgc s TYR 51 Cb -0.12 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.69 3kgc s TYR 51 CO 0.23 -0.52 -0.14 0.21 -2.51 0.00 0.00 175.55 172.82 3kgc s LYS 52 N -3.64 2.19 0.04 -3.49 2.47 0.28 -4.87 119.74 112.73 3kgc s LYS 52 Ca 0.03 -0.53 -0.30 0.00 -1.56 0.00 0.00 55.97 53.61 3kgc s LYS 52 Cb 0.04 -1.98 -0.05 0.00 -1.46 0.00 0.00 37.83 34.38 3kgc s LYS 52 CO -0.10 -0.18 1.14 -0.51 0.16 0.00 0.00 175.35 175.86 3kgc s LEU 53 N 1.34 4.37 -0.05 5.43 1.43 -1.26 -0.86 118.68 129.07 3kgc s LEU 53 Ca 0.01 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 3kgc s LEU 53 Cb -0.13 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3kgc s LEU 53 CO -0.07 -0.42 -0.08 0.42 0.23 0.00 0.00 176.35 176.43 3kgc s THR 54 N 1.09 0.79 0.03 5.49 -4.23 0.54 -4.85 115.64 114.51 3kgc s THR 54 Ca 0.57 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 3kgc s THR 54 Cb -0.27 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 3kgc s THR 54 CO 0.29 0.28 1.12 -0.63 -0.54 0.00 0.00 174.62 175.13 3kgc s ILE 55 N 0.81 4.35 0.09 2.99 -1.09 -1.26 -1.64 121.20 125.45 3kgc s ILE 55 Ca -0.12 1.69 -0.35 0.00 -2.23 0.00 0.00 60.65 59.63 3kgc s ILE 55 Cb -0.15 -4.08 -0.15 0.00 -1.58 0.00 0.00 42.46 36.50 3kgc s ILE 55 CO 0.02 0.13 1.52 0.55 -1.23 0.00 0.00 174.94 175.92 3kgc n VAL 56 N 3.95 0.06 -0.36 2.92 3.14 0.34 -4.86 118.33 123.52 3kgc n VAL 56 Ca 0.08 -0.01 0.03 0.00 -2.96 0.00 0.00 64.34 61.48 3kgc n VAL 56 Cb 0.48 -1.27 0.18 0.00 -1.06 0.00 0.00 33.84 32.17 3kgc n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3kgc h GLY 57 N 5.71 1.51 -1.51 7.55 0.00 -1.92 -2.13 103.07 112.28 3kgc h GLY 57 Ca -0.46 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.42 3kgc h GLY 57 CO 0.85 0.29 0.00 2.09 0.00 0.00 0.00 176.54 179.77 3kgc n ASP 58 N -4.55 2.54 -0.81 0.19 5.68 -1.26 -4.95 116.55 113.39 3kgc n ASP 58 Ca 0.16 -1.84 -0.11 0.00 -0.50 0.00 0.00 54.79 52.50 3kgc n ASP 58 Cb 0.22 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 3kgc n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgc n GLY 59 N 1.31 1.16 3.66 6.12 0.00 -0.80 -4.97 105.19 111.67 3kgc n GLY 59 Ca 0.17 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3kgc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgc s LYS 60 N -2.76 2.38 -0.07 1.61 1.02 -1.26 -4.96 119.74 115.69 3kgc s LYS 60 Ca 0.00 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.72 3kgc s LYS 60 Cb 0.00 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 3kgc s LYS 60 CO 0.00 0.45 0.48 1.88 -0.92 0.00 0.00 175.35 177.23 3kgc h TYR 61 N 2.63 -0.22 0.00 3.18 -1.99 -1.88 -2.19 116.97 116.51 3kgc h TYR 61 Ca -0.47 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3kgc h TYR 61 Cb 1.21 0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.01 3kgc h TYR 61 CO 0.63 0.04 0.00 0.41 -0.00 0.00 0.00 178.16 179.23 3kgc n GLY 62 N 1.03 3.79 3.18 3.88 0.00 -0.33 -1.21 105.19 115.54 3kgc n GLY 62 Ca -0.05 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3kgc n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgc s ALA 63 N 0.00 -0.05 -0.36 4.61 0.00 -1.25 -4.54 121.76 120.17 3kgc s ALA 63 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 3kgc s ALA 63 Cb 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 3kgc s ALA 63 CO 0.00 -0.48 0.55 0.50 0.00 0.00 0.00 175.76 176.33 3kgc s ARG 64 N -3.88 3.62 0.24 0.00 3.52 -1.26 -1.13 118.95 120.06 3kgc s ARG 64 Ca 0.06 -0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.24 3kgc s ARG 64 Cb 0.06 -3.82 -0.13 0.00 -1.56 0.00 0.00 34.95 29.50 3kgc s ARG 64 CO -0.10 -0.69 1.45 -3.47 -0.81 0.00 0.00 175.30 171.68 3kgc n ASP 65 N 5.85 2.94 -0.10 -2.12 -0.08 -0.44 -4.86 116.55 117.73 3kgc n ASP 65 Ca -0.04 1.14 -0.10 0.00 -1.51 0.00 0.00 54.79 54.28 3kgc n ASP 65 Cb 0.49 -1.45 -0.03 0.00 2.34 0.00 0.00 41.12 42.47 3kgc n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kgc h ALA 66 N 4.42 0.39 0.00 -1.67 0.00 -1.95 0.88 119.26 121.32 3kgc h ALA 66 Ca -0.45 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3kgc h ALA 66 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kgc h ALA 66 CO 0.77 0.02 -0.77 0.38 0.00 0.00 0.00 179.25 179.66 3kgc h ASP 67 N 0.32 0.00 -0.42 0.00 -0.00 -1.99 -3.39 116.42 110.94 3kgc h ASP 67 Ca 0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 57.03 56.86 3kgc h ASP 67 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.56 3kgc h ASP 67 CO -0.00 1.06 0.27 0.74 -0.00 0.00 0.00 179.24 181.31 3kgc h THR 68 N -1.00 1.11 0.00 1.15 2.02 -1.98 -3.46 112.91 110.75 3kgc h THR 68 Ca -0.15 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3kgc h THR 68 Cb 0.84 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3kgc h THR 68 CO -0.09 0.11 0.00 0.29 0.37 0.00 0.00 175.52 176.20 3kgc n LYS 69 N -4.47 -0.00 -3.41 6.66 4.76 0.30 -4.98 118.16 117.02 3kgc n LYS 69 Ca 0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.09 3kgc n LYS 69 Cb 0.06 -2.55 -0.06 0.00 -1.84 0.00 0.00 35.03 30.64 3kgc n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kgc s ILE 70 N -3.88 5.07 0.28 -0.18 1.01 -1.26 -4.66 121.20 117.58 3kgc s ILE 70 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3kgc s ILE 70 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 3kgc s ILE 70 CO 0.00 0.47 1.11 0.26 0.00 0.00 0.00 174.94 176.79 3kgc s TRP 71 N -0.37 3.55 0.29 3.97 0.52 -1.26 -1.33 118.94 124.31 3kgc s TRP 71 Ca 0.25 1.67 0.02 0.00 0.02 0.00 0.00 56.10 58.07 3kgc s TRP 71 Cb -0.16 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 28.87 3kgc s TRP 71 CO 0.12 -0.64 0.19 0.27 0.02 0.00 0.00 176.95 176.92 3kgc n ASN 72 N 1.25 2.00 0.00 2.95 0.23 -0.28 -4.41 115.26 117.00 3kgc n ASN 72 Ca -0.01 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 3kgc n ASN 72 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 3kgc n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kgc n GLY 73 N 1.55 0.86 0.34 4.83 0.00 -1.26 -1.40 105.19 110.10 3kgc n GLY 73 Ca -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 3kgc n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kgc h MET 74 N 0.00 1.03 -0.42 1.61 2.86 -0.48 -2.09 114.93 117.43 3kgc h MET 74 Ca 0.00 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3kgc h MET 74 Cb 0.00 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 3kgc h MET 74 CO 0.00 0.79 0.16 0.28 1.06 0.00 0.00 176.91 179.20 3kgc h VAL 75 N 1.02 0.88 -0.57 -2.22 2.07 -1.55 -1.99 116.25 113.90 3kgc h VAL 75 Ca 0.25 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 3kgc h VAL 75 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kgc h VAL 75 CO -0.03 0.06 0.15 1.23 0.02 0.00 0.00 177.57 178.99 3kgc h GLY 76 N 0.33 0.94 1.31 2.17 0.00 -0.77 0.08 103.07 107.13 3kgc h GLY 76 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3kgc h GLY 76 CO -0.19 0.51 0.45 0.83 0.00 0.00 0.00 176.54 178.14 3kgc h GLU 77 N 0.84 0.88 0.03 4.80 5.08 -0.72 -1.29 114.58 124.20 3kgc h GLU 77 Ca 0.19 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kgc h GLU 77 Cb 0.29 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kgc h GLU 77 CO -0.00 0.58 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.51 3kgc h LEU 78 N 0.91 -0.03 -0.72 1.33 3.38 -0.78 0.15 115.31 119.55 3kgc h LEU 78 Ca 0.25 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3kgc h LEU 78 Cb -0.08 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3kgc h LEU 78 CO -0.06 0.51 0.42 0.58 0.09 0.00 0.00 178.44 179.98 3kgc h VAL 79 N -0.59 0.99 -0.17 1.22 2.07 -0.78 -2.69 116.25 116.31 3kgc h VAL 79 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kgc h VAL 79 Cb 0.54 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3kgc h VAL 79 CO 0.01 0.14 0.00 -1.22 0.02 0.00 0.00 177.57 176.52 3kgc n TYR 80 N -4.74 0.20 -0.76 1.57 4.01 -0.51 -4.95 117.16 111.99 3kgc n TYR 80 Ca 0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3kgc n TYR 80 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3kgc n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kgc n GLY 81 N 1.27 0.54 0.12 2.72 0.00 -1.02 -4.96 105.19 103.88 3kgc n GLY 81 Ca 0.17 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3kgc n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgc h LYS 82 N 0.00 0.00 -4.93 1.61 1.79 -1.00 -3.46 116.57 110.58 3kgc h LYS 82 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 3kgc h LYS 82 Cb 0.02 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.50 3kgc h LYS 82 CO 0.00 0.47 -0.72 0.00 -1.08 0.00 0.00 179.45 178.11 3kgc s ALA 83 N -2.94 1.13 -0.12 3.86 0.00 -0.60 -4.98 121.76 118.12 3kgc s ALA 83 Ca 0.02 -1.24 0.18 0.00 0.00 0.00 0.00 51.96 50.91 3kgc s ALA 83 Cb 0.08 0.05 -0.18 0.00 0.00 0.00 0.00 23.12 23.07 3kgc s ALA 83 CO 0.77 -0.07 0.65 -0.25 0.00 0.00 0.00 175.76 176.86 3kgc n ASP 84 N 0.39 0.61 -3.57 0.00 8.00 0.07 -4.42 116.55 117.64 3kgc n ASP 84 Ca -0.15 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 3kgc n ASP 84 Cb 0.58 0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 42.14 3kgc n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kgc s ILE 85 N -2.92 0.00 -0.17 0.53 2.07 -1.03 -4.28 121.20 115.41 3kgc s ILE 85 Ca -0.05 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3kgc s ILE 85 Cb 0.09 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 3kgc s ILE 85 CO 0.83 -0.02 -0.08 0.00 -1.91 0.00 0.00 174.94 173.76 3kgc s ALA 86 N -0.80 2.78 -0.32 1.50 0.00 0.45 -0.83 121.76 124.53 3kgc s ALA 86 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3kgc s ALA 86 Cb -0.02 -1.48 0.10 0.00 0.00 0.00 0.00 23.12 21.72 3kgc s ALA 86 CO 0.07 -0.02 0.06 0.42 0.00 0.00 0.00 175.76 176.29 3kgc s ILE 87 N 0.79 1.64 0.09 0.00 1.01 -0.94 -2.04 121.20 121.75 3kgc s ILE 87 Ca -0.03 -1.86 -0.26 0.00 0.00 0.00 0.00 60.65 58.49 3kgc s ILE 87 Cb -0.15 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.21 3kgc s ILE 87 CO 0.01 -0.59 0.96 0.00 0.00 0.00 0.00 174.94 175.32 3kgc s ALA 88 N 1.24 -1.74 -1.06 9.38 0.00 -1.26 -4.61 121.76 123.70 3kgc s ALA 88 Ca 0.09 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 3kgc s ALA 88 Cb -0.18 0.55 -0.08 0.00 0.00 0.00 0.00 23.12 23.41 3kgc s ALA 88 CO -0.15 -0.93 2.12 -0.35 0.00 0.00 0.00 175.76 176.44 3kgc n PRO 89 N -0.40 2.15 -3.64 0.00 -0.04 -1.26 -4.74 135.00 127.07 3kgc n PRO 89 Ca -0.07 -2.05 -0.38 0.00 -0.04 0.00 0.00 63.50 60.95 3kgc n PRO 89 Cb 0.61 -2.96 -0.12 0.00 -0.04 0.00 0.00 33.50 30.99 3kgc n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kgc s LEU 90 N 1.28 4.05 0.16 1.53 2.96 -1.26 -5.02 118.68 122.38 3kgc s LEU 90 Ca 0.53 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.76 3kgc s LEU 90 Cb 0.14 -2.03 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 3kgc s LEU 90 CO 0.02 -0.15 1.09 -0.89 -1.32 0.00 0.00 176.35 175.10 3kgc s THR 91 N 1.65 3.95 -0.11 3.68 2.01 -1.26 -1.89 115.64 123.67 3kgc s THR 91 Ca 0.05 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 3kgc s THR 91 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 3kgc s THR 91 CO 0.07 0.27 1.48 -0.63 -0.69 0.00 0.00 174.62 175.12 3kgc s ILE 92 N -0.12 3.89 0.08 1.82 1.01 -0.80 -4.87 121.20 122.21 3kgc s ILE 92 Ca 0.50 1.08 0.01 0.00 0.00 0.00 0.00 60.65 62.23 3kgc s ILE 92 Cb -0.29 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3kgc s ILE 92 CO 0.34 -0.11 -0.06 0.42 0.00 0.00 0.00 174.94 175.53 3kgc s THR 93 N 3.87 0.57 0.09 2.92 -4.23 -1.26 -4.82 115.64 112.78 3kgc s THR 93 Ca 0.65 -1.84 -0.25 0.00 -1.18 0.00 0.00 61.69 59.08 3kgc s THR 93 Cb -0.28 -1.56 -0.13 0.00 1.34 0.00 0.00 72.50 71.87 3kgc s THR 93 CO 0.23 -0.87 1.70 0.25 -0.54 0.00 0.00 174.62 175.40 3kgc h LEU 94 N 3.13 -0.24 -1.26 4.79 5.85 -1.98 -0.13 115.31 125.47 3kgc h LEU 94 Ca -0.35 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3kgc h LEU 94 Cb 1.16 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3kgc h LEU 94 CO 0.63 -0.14 -0.07 -0.37 -0.34 0.00 0.00 178.44 178.15 3kgc h VAL 95 N -0.21 1.20 -0.30 1.05 -1.51 -2.00 -2.00 116.25 112.47 3kgc h VAL 95 Ca 0.00 -0.83 -0.18 0.00 -1.23 0.00 0.00 66.70 64.46 3kgc h VAL 95 Cb 0.19 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3kgc h VAL 95 CO -0.02 0.27 -0.52 0.03 -1.23 0.00 0.00 177.57 176.10 3kgc h ARG 96 N 0.40 0.88 0.00 5.19 3.08 -1.92 -3.11 114.38 118.91 3kgc h ARG 96 Ca 0.08 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3kgc h ARG 96 Cb 0.38 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kgc h ARG 96 CO 0.02 1.18 0.00 0.93 -1.07 0.00 0.00 179.97 181.03 3kgc h GLU 97 N 0.68 0.00 0.00 0.04 4.39 -0.32 0.88 114.58 120.25 3kgc h GLU 97 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3kgc h GLU 97 Cb 1.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3kgc h GLU 97 CO 0.12 0.00 -0.02 0.93 -1.16 0.00 0.00 179.01 178.88 3kgc h GLU 98 N 0.00 0.00 0.00 2.33 5.08 -1.34 -3.36 114.58 117.29 3kgc h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kgc h GLU 98 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kgc h GLU 98 CO 0.00 0.02 -0.45 1.33 -1.00 0.00 0.00 179.01 178.91 3kgc n VAL 99 N -3.13 0.00 -4.26 3.13 0.24 -0.16 -5.08 118.33 109.07 3kgc n VAL 99 Ca 0.00 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 3kgc n VAL 99 Cb 0.30 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 3kgc n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3kgc s ILE 100 N -1.06 0.31 0.10 1.34 -4.36 0.12 -4.30 121.20 113.36 3kgc s ILE 100 Ca 0.00 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3kgc s ILE 100 Cb 0.00 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 3kgc s ILE 100 CO 0.00 -0.05 0.09 -1.81 0.24 0.00 0.00 174.94 173.41 3kgc s ASP 101 N -3.23 5.52 0.01 4.36 1.01 0.06 -4.20 116.67 120.19 3kgc s ASP 101 Ca 0.37 -0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.63 3kgc s ASP 101 Cb 0.07 -1.47 -0.02 0.00 1.01 0.00 0.00 42.92 42.52 3kgc s ASP 101 CO 0.12 0.14 -0.17 -0.36 0.21 0.00 0.00 175.17 175.11 3kgc s PHE 102 N -1.49 1.48 1.01 4.23 0.08 -1.26 -1.10 117.98 120.92 3kgc s PHE 102 Ca 0.30 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 3kgc s PHE 102 Cb -0.12 -0.93 0.20 0.00 -0.57 0.00 0.00 43.02 41.61 3kgc s PHE 102 CO 0.22 0.01 1.08 -1.54 -0.10 0.00 0.00 175.22 174.89 3kgc s SER 103 N -0.65 2.30 0.86 1.36 1.04 0.79 -4.92 113.70 114.49 3kgc s SER 103 Ca 0.06 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 3kgc s SER 103 Cb -0.07 -2.33 0.10 0.00 0.10 0.00 0.00 66.02 63.82 3kgc s SER 103 CO 0.00 -3.41 1.06 0.29 0.98 0.00 0.00 173.24 172.17 3kgc n LYS 104 N -4.40 -0.12 -1.90 4.02 4.76 -1.26 -4.48 118.16 114.79 3kgc n LYS 104 Ca 0.07 0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 3kgc n LYS 104 Cb 0.54 -2.32 0.01 0.00 -1.84 0.00 0.00 35.03 31.42 3kgc n LYS 104 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3kgc s PRO 105 N -4.20 3.73 0.00 1.97 0.02 -1.26 -4.63 135.00 130.63 3kgc s PRO 105 Ca 0.69 2.30 0.17 0.00 0.02 0.00 0.00 61.00 64.17 3kgc s PRO 105 Cb -0.26 -2.64 -0.15 0.00 0.02 0.00 0.00 34.50 31.47 3kgc s PRO 105 CO 0.56 -0.74 0.76 1.97 -0.33 0.00 0.00 177.00 179.22 3kgc n PHE 106 N -0.17 0.00 -3.64 6.54 1.16 -0.37 -4.99 117.46 115.99 3kgc n PHE 106 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 3kgc n PHE 106 Cb 0.43 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.23 3kgc n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3kgc s MET 107 N -2.49 0.79 0.25 3.97 0.00 -1.25 -4.97 119.30 115.60 3kgc s MET 107 Ca 0.08 0.98 -0.19 0.00 0.00 0.00 0.00 55.69 56.57 3kgc s MET 107 Cb 0.13 0.36 -0.08 0.00 0.00 0.00 0.00 34.83 35.24 3kgc s MET 107 CO 0.64 -0.10 0.73 -1.12 0.00 0.00 0.00 175.02 175.17 3kgc s SER 108 N 0.50 6.99 0.22 1.11 0.01 -1.26 -1.50 113.70 119.77 3kgc s SER 108 Ca -0.01 1.39 -0.20 0.00 1.31 0.00 0.00 55.95 58.43 3kgc s SER 108 Cb -0.05 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.81 3kgc s SER 108 CO -0.01 -0.02 0.61 -1.48 0.41 0.00 0.00 173.24 172.75 3kgc s LEU 109 N -2.21 -0.22 0.09 2.44 -0.00 -0.80 -4.82 118.68 113.17 3kgc s LEU 109 Ca 0.46 -0.41 -0.06 0.00 -0.00 0.00 0.00 54.13 54.12 3kgc s LEU 109 Cb -0.15 2.47 -0.02 0.00 -0.00 0.00 0.00 46.19 48.49 3kgc s LEU 109 CO 0.20 -1.14 0.13 -0.83 -0.00 0.00 0.00 176.35 174.71 3kgc s GLY 110 N -2.86 0.33 0.39 -3.48 0.00 -1.26 -0.82 107.32 99.62 3kgc s GLY 110 Ca 0.08 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 3kgc s GLY 110 CO -0.02 -1.01 1.34 -0.42 0.00 0.00 0.00 173.10 173.00 3kgc s ILE 111 N -3.91 2.49 0.23 0.90 1.01 -1.26 -0.20 121.20 120.47 3kgc s ILE 111 Ca 0.09 0.46 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 3kgc s ILE 111 Cb 0.06 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3kgc s ILE 111 CO -0.08 0.08 0.26 -0.94 0.00 0.00 0.00 174.94 174.26 3kgc s SER 112 N -0.57 0.27 -0.13 3.58 1.04 0.42 -0.07 113.70 118.24 3kgc s SER 112 Ca 0.55 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 3kgc s SER 112 Cb -0.40 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3kgc s SER 112 CO 0.53 -0.97 -0.10 -0.63 0.98 0.00 0.00 173.24 173.05 3kgc s ILE 113 N -3.99 3.31 -0.16 -1.02 1.01 -1.26 -1.63 121.20 117.46 3kgc s ILE 113 Ca 0.34 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3kgc s ILE 113 Cb 0.04 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3kgc s ILE 113 CO 0.13 0.52 -0.08 -0.32 0.00 0.00 0.00 174.94 175.20 3kgc s MET 114 N 0.23 3.49 0.28 2.79 -2.45 0.33 -1.91 119.30 122.06 3kgc s MET 114 Ca -0.07 -0.61 0.11 0.00 -1.25 0.00 0.00 55.69 53.87 3kgc s MET 114 Cb -0.15 -2.81 -0.05 0.00 1.25 0.00 0.00 34.83 33.06 3kgc s MET 114 CO 0.05 0.13 -0.17 0.96 1.05 0.00 0.00 175.02 177.04 3kgc s ILE 115 N 0.60 2.33 0.24 10.11 -4.36 -0.49 -1.22 121.20 128.41 3kgc s ILE 115 Ca -0.05 -2.34 -0.30 0.00 -0.26 0.00 0.00 60.65 57.70 3kgc s ILE 115 Cb -0.15 -2.35 -0.09 0.00 1.25 0.00 0.00 42.46 41.13 3kgc s ILE 115 CO 0.03 -0.38 1.09 -0.75 0.24 0.00 0.00 174.94 175.16 3kgc s LYS 116 N -3.55 4.65 0.17 0.37 2.20 -1.26 -0.94 119.74 121.37 3kgc s LYS 116 Ca 0.30 1.75 -0.33 0.00 -0.36 0.00 0.00 55.97 57.32 3kgc s LYS 116 Cb -0.03 -3.23 -0.15 0.00 -1.51 0.00 0.00 37.83 32.91 3kgc s LYS 116 CO 0.14 0.20 1.31 1.63 -0.36 0.00 0.00 175.35 178.27 3kgc n LYS 117 N 1.62 1.49 -0.01 4.03 5.02 -0.34 -1.87 118.16 128.10 3kgc n LYS 117 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3kgc n LYS 117 Cb 0.45 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3kgc n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kgc n GLY 118 N 2.31 0.43 3.69 0.72 0.00 -1.26 -4.97 105.19 106.12 3kgc n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kgc n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgc s THR 119 N -2.15 3.08 -1.29 2.61 2.01 -0.78 -4.87 115.64 114.24 3kgc s THR 119 Ca 0.00 0.59 -0.12 0.00 0.31 0.00 0.00 61.69 62.47 3kgc s THR 119 Cb 0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 3kgc s THR 119 CO 0.00 0.01 2.43 -0.81 -0.69 0.00 0.00 174.62 175.55 3kgc n PRO 120 N 5.23 2.78 -4.02 4.92 -0.04 -1.26 -4.79 135.00 137.82 3kgc n PRO 120 Ca 0.15 -2.07 -0.17 0.00 -0.04 0.00 0.00 63.50 61.36 3kgc n PRO 120 Cb 0.41 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.85 3kgc n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kgc s ILE 121 N 3.14 0.29 0.00 0.52 -1.09 -1.26 -5.00 121.20 117.80 3kgc s ILE 121 Ca 0.55 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 3kgc s ILE 121 Cb 0.15 -0.35 0.00 0.00 -1.58 0.00 0.00 42.46 40.68 3kgc s ILE 121 CO -0.04 0.16 0.05 -0.62 -1.23 0.00 0.00 174.94 173.26 3kgc n GLU 122 N 3.94 4.76 -3.76 2.79 4.71 -1.26 -4.94 120.64 126.87 3kgc n GLU 122 Ca -0.25 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.16 56.76 3kgc n GLU 122 Cb 0.52 -0.46 -0.03 0.00 -1.01 0.00 0.00 31.44 30.45 3kgc n GLU 122 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kgc s SER 123 N -0.69 -0.27 0.25 1.62 1.04 -1.26 -2.92 113.70 111.46 3kgc s SER 123 Ca 0.00 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 3kgc s SER 123 Cb 0.00 0.62 0.30 0.00 0.10 0.00 0.00 66.02 67.03 3kgc s SER 123 CO 0.00 -1.13 1.84 0.00 0.98 0.00 0.00 173.24 174.93 3kgc h ALA 124 N 2.14 1.18 -0.59 5.32 0.00 -1.94 -2.53 119.26 122.82 3kgc h ALA 124 Ca -0.27 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3kgc h ALA 124 Cb 1.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3kgc h ALA 124 CO 0.34 0.61 0.34 1.49 0.00 0.00 0.00 179.25 182.02 3kgc h GLU 125 N 1.04 0.63 -0.43 0.00 4.81 -1.96 -1.15 114.58 117.54 3kgc h GLU 125 Ca 0.25 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 3kgc h GLU 125 Cb 0.17 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 3kgc h GLU 125 CO -0.03 0.42 0.03 -0.44 -0.73 0.00 0.00 179.01 178.27 3kgc h ASP 126 N 0.65 -0.11 -0.51 1.04 3.45 -1.86 -1.96 116.42 117.13 3kgc h ASP 126 Ca 0.25 0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.84 3kgc h ASP 126 Cb 0.10 0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.98 3kgc h ASP 126 CO -0.14 -0.02 0.27 -0.07 -1.57 0.00 0.00 179.24 177.71 3kgc h LEU 127 N 0.15 0.41 -1.65 1.55 3.38 -1.12 -2.97 115.31 115.06 3kgc h LEU 127 Ca 0.21 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3kgc h LEU 127 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kgc h LEU 127 CO -0.32 0.28 -0.20 0.77 0.09 0.00 0.00 178.44 179.06 3kgc h SER 128 N 0.54 0.00 -0.32 -0.43 4.64 -0.51 -2.90 113.55 114.57 3kgc h SER 128 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3kgc h SER 128 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3kgc h SER 128 CO -0.14 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 3kgc n LYS 129 N -3.93 1.76 -3.99 4.77 5.02 -0.84 -4.88 118.16 116.06 3kgc n LYS 129 Ca -0.02 -1.18 -0.09 0.00 -2.02 0.00 0.00 58.31 55.00 3kgc n LYS 129 Cb 0.29 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 3kgc n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3kgc s GLN 130 N -1.58 1.43 0.00 1.97 1.03 -1.10 -5.08 119.66 116.33 3kgc s GLN 130 Ca 0.23 -1.24 0.00 0.00 0.04 0.00 0.00 55.36 54.39 3kgc s GLN 130 Cb 0.12 0.44 0.00 0.00 0.03 0.00 0.00 33.01 33.60 3kgc s GLN 130 CO 0.16 -0.57 0.01 0.25 -2.54 0.00 0.00 175.29 172.60 3kgc n THR 131 N -0.34 0.00 -0.34 3.63 -2.24 -1.26 -4.83 114.28 108.91 3kgc n THR 131 Ca -0.03 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 3kgc n THR 131 Cb 0.63 1.04 0.11 0.00 -2.10 0.00 0.00 70.33 70.00 3kgc n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kgc h GLU 132 N 0.00 1.15 -4.73 -0.78 4.22 -1.97 -3.38 114.58 109.10 3kgc h GLU 132 Ca 0.00 -0.07 -0.68 0.00 0.08 0.00 0.00 59.36 58.70 3kgc h GLU 132 Cb 0.02 -0.26 -0.19 0.00 0.50 0.00 0.00 28.75 28.82 3kgc h GLU 132 CO 0.00 0.76 -0.48 0.42 -2.18 0.00 0.00 179.01 177.53 3kgc s ILE 133 N -6.11 5.25 0.60 2.32 1.01 -1.26 -4.88 121.20 118.13 3kgc s ILE 133 Ca -0.13 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 3kgc s ILE 133 Cb 0.17 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3kgc s ILE 133 CO 0.80 0.00 1.06 0.00 0.00 0.00 0.00 174.94 176.81 3kgc s ALA 134 N 1.72 2.72 -0.11 9.38 0.00 0.29 -4.86 121.76 130.90 3kgc s ALA 134 Ca 0.06 0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 3kgc s ALA 134 Cb -0.17 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.76 3kgc s ALA 134 CO 0.10 -0.86 0.47 1.52 0.00 0.00 0.00 175.76 176.99 3kgc s TYR 135 N -2.47 -0.45 0.05 0.00 1.13 -1.26 -0.27 117.35 114.09 3kgc s TYR 135 Ca 0.64 0.96 -0.01 0.00 -1.41 0.00 0.00 57.07 57.24 3kgc s TYR 135 Cb -0.16 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3kgc s TYR 135 CO 0.38 -0.36 0.09 0.41 -2.51 0.00 0.00 175.55 173.56 3kgc n GLY 136 N 2.01 2.44 3.35 5.49 0.00 -1.11 -4.81 105.19 112.57 3kgc n GLY 136 Ca -0.17 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 3kgc n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kgc s THR 137 N -2.67 0.22 0.29 2.61 -4.23 -1.24 -1.66 115.64 108.95 3kgc s THR 137 Ca 0.03 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 3kgc s THR 137 Cb -0.00 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.29 3kgc s THR 137 CO 0.02 0.00 1.05 -0.22 -0.54 0.00 0.00 174.62 174.93 3kgc s LEU 138 N -3.43 4.52 0.44 4.79 2.96 -1.26 -2.12 118.68 124.58 3kgc s LEU 138 Ca 0.35 2.14 -0.23 0.00 -0.22 0.00 0.00 54.13 56.17 3kgc s LEU 138 Cb 0.03 -3.71 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 3kgc s LEU 138 CO 0.21 -0.11 1.11 -1.81 -1.32 0.00 0.00 176.35 174.44 3kgc s ASP 139 N -1.08 6.38 -1.19 3.68 1.01 0.35 -4.16 116.67 121.66 3kgc s ASP 139 Ca 0.46 2.17 -0.01 0.00 0.71 0.00 0.00 52.55 55.87 3kgc s ASP 139 Cb -0.29 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.05 3kgc s ASP 139 CO 0.36 -0.76 0.14 -1.20 0.21 0.00 0.00 175.17 173.92 3kgc n SER 140 N -0.42 -4.52 -2.82 0.27 7.64 -1.26 -4.81 113.62 107.70 3kgc n SER 140 Ca 0.07 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.72 3kgc n SER 140 Cb 0.49 -3.58 -0.05 0.00 -1.01 0.00 0.00 64.21 60.06 3kgc n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgc n GLY 141 N -1.10 3.43 0.15 0.23 0.00 -1.26 -1.19 105.19 105.46 3kgc n GLY 141 Ca -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 43.95 3kgc n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kgc h SER 142 N 1.19 0.00 -0.37 1.61 4.64 -1.91 -2.94 113.55 115.77 3kgc h SER 142 Ca -0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3kgc h SER 142 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3kgc h SER 142 CO 0.29 0.53 0.03 0.74 -0.87 0.00 0.00 176.83 177.54 3kgc h THR 143 N 0.00 1.25 -0.49 2.95 2.02 -1.96 -0.15 112.91 116.53 3kgc h THR 143 Ca -0.01 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 3kgc h THR 143 Cb 1.15 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3kgc h THR 143 CO 0.07 0.31 0.05 0.50 0.37 0.00 0.00 175.52 176.82 3kgc h LYS 144 N 0.46 0.82 -0.54 6.66 3.64 -1.74 -2.55 116.57 123.32 3kgc h LYS 144 Ca 0.11 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3kgc h LYS 144 Cb 0.42 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3kgc h LYS 144 CO 0.01 0.84 0.07 1.49 -2.27 0.00 0.00 179.45 179.59 3kgc h GLU 145 N 0.69 0.88 -0.37 1.90 4.57 -1.47 -1.40 114.58 119.38 3kgc h GLU 145 Ca 0.14 -0.22 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3kgc h GLU 145 Cb 0.44 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 3kgc h GLU 145 CO 0.01 0.83 -0.01 0.35 -1.18 0.00 0.00 179.01 179.01 3kgc h PHE 146 N 0.83 -0.05 -0.31 0.92 3.57 -0.62 -1.43 116.94 119.85 3kgc h PHE 146 Ca 0.17 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 3kgc h PHE 146 Cb 0.40 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3kgc h PHE 146 CO 0.02 -0.09 -0.39 0.74 -2.23 0.00 0.00 178.31 176.37 3kgc h PHE 147 N 0.08 0.87 -1.00 0.41 -1.00 -1.17 -1.34 116.94 113.80 3kgc h PHE 147 Ca 0.18 -0.25 0.06 0.00 2.81 0.00 0.00 57.97 60.76 3kgc h PHE 147 Cb 0.26 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.57 3kgc h PHE 147 CO -0.27 1.01 0.65 -0.09 -1.61 0.00 0.00 178.31 178.00 3kgc h ARG 148 N 0.60 1.16 0.00 1.51 2.43 -0.73 -3.10 114.38 116.25 3kgc h ARG 148 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kgc h ARG 148 Cb 0.93 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3kgc h ARG 148 CO 0.09 0.77 -1.27 0.54 -1.51 0.00 0.00 179.97 178.58 3kgc n ARG 149 N -4.48 0.41 -2.27 0.20 5.12 -0.59 -4.98 116.66 110.07 3kgc n ARG 149 Ca 0.15 -0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 3kgc n ARG 149 Cb 0.16 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 3kgc n ARG 149 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3kgc s SER 150 N -4.22 6.97 0.00 0.55 0.15 -0.52 -4.91 113.70 111.73 3kgc s SER 150 Ca 0.00 2.44 0.18 0.00 0.70 0.00 0.00 55.95 59.27 3kgc s SER 150 Cb 0.14 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.89 3kgc s SER 150 CO 0.83 -0.42 0.98 0.29 1.20 0.00 0.00 173.24 176.13 3kgc n LYS 151 N 1.70 1.56 -1.71 5.44 4.01 -1.26 -4.25 118.16 123.66 3kgc n LYS 151 Ca 0.02 -1.21 -0.43 0.00 -0.51 0.00 0.00 58.31 56.18 3kgc n LYS 151 Cb 0.43 -1.33 -0.03 0.00 -0.51 0.00 0.00 35.03 33.59 3kgc n LYS 151 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3kgc n ILE 152 N 0.46 0.05 -0.13 -0.18 2.08 -1.26 -4.82 119.36 115.56 3kgc n ILE 152 Ca 0.09 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.35 3kgc n ILE 152 Cb 0.41 -1.86 0.03 0.00 -0.75 0.00 0.00 39.64 37.46 3kgc n ILE 152 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kgc h ALA 153 N 6.45 0.37 -0.21 -1.39 0.00 -1.99 0.15 119.26 122.65 3kgc h ALA 153 Ca -0.44 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3kgc h ALA 153 Cb 1.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3kgc h ALA 153 CO 0.93 -0.40 0.05 0.28 0.00 0.00 0.00 179.25 180.11 3kgc h VAL 154 N 0.08 1.21 -0.34 0.00 2.07 -1.99 -1.49 116.25 115.79 3kgc h VAL 154 Ca 0.21 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 3kgc h VAL 154 Cb 0.31 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3kgc h VAL 154 CO -0.37 0.21 -0.22 -0.26 0.02 0.00 0.00 177.57 176.95 3kgc h PHE 155 N 0.15 0.75 -0.66 1.57 0.04 -1.81 -0.82 116.94 116.16 3kgc h PHE 155 Ca 0.07 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3kgc h PHE 155 Cb 0.27 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3kgc h PHE 155 CO 0.01 0.83 0.19 0.22 -0.60 0.00 0.00 178.31 178.96 3kgc h ASP 156 N 0.59 0.98 -0.71 2.17 3.58 -0.62 -0.64 116.42 121.76 3kgc h ASP 156 Ca 0.09 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.32 3kgc h ASP 156 Cb 0.69 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 3kgc h ASP 156 CO 0.05 0.93 0.45 0.50 -2.88 0.00 0.00 179.24 178.29 3kgc h LYS 157 N 0.97 0.95 -0.63 0.28 3.64 -0.93 -0.82 116.57 120.03 3kgc h LYS 157 Ca 0.21 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kgc h LYS 157 Cb 0.32 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3kgc h LYS 157 CO -0.00 0.66 0.39 0.52 -2.27 0.00 0.00 179.45 178.74 3kgc h MET 158 N 0.96 0.85 -0.42 1.90 2.86 -0.94 -2.50 114.93 117.65 3kgc h MET 158 Ca 0.26 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3kgc h MET 158 Cb -0.07 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 3kgc h MET 158 CO -0.05 0.60 0.12 2.35 1.06 0.00 0.00 176.91 180.99 3kgc h TRP 159 N 0.86 0.68 -0.97 -0.22 2.91 -0.73 -0.32 115.95 118.16 3kgc h TRP 159 Ca 0.23 -0.07 0.10 0.00 1.13 0.00 0.00 58.89 60.27 3kgc h TRP 159 Cb -0.04 -0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 28.34 3kgc h TRP 159 CO -0.02 0.63 0.62 1.15 -1.03 0.00 0.00 178.44 179.79 3kgc h THR 160 N 0.53 0.99 0.12 2.65 2.02 -1.01 -0.99 112.91 117.23 3kgc h THR 160 Ca 0.13 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kgc h THR 160 Cb 0.27 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3kgc h THR 160 CO -0.00 0.19 -0.06 0.22 0.37 0.00 0.00 175.52 176.23 3kgc h TYR 161 N 1.02 -0.15 -0.85 3.16 3.20 -1.20 -3.34 116.97 118.81 3kgc h TYR 161 Ca 0.45 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 3kgc h TYR 161 Cb 0.36 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3kgc h TYR 161 CO -0.00 0.28 0.46 0.52 -1.64 0.00 0.00 178.16 177.78 3kgc h MET 162 N -0.67 1.19 0.00 1.82 2.86 -0.57 -0.59 114.93 118.97 3kgc h MET 162 Ca -0.02 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3kgc h MET 162 Cb 0.51 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3kgc h MET 162 CO 0.03 0.88 -0.14 0.07 1.06 0.00 0.00 176.91 178.81 3kgc h ARG 163 N 1.18 0.00 -0.01 1.72 0.11 -1.34 -3.00 114.38 113.05 3kgc h ARG 163 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3kgc h ARG 163 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3kgc h ARG 163 CO -0.05 0.14 -0.02 0.43 0.10 0.00 0.00 179.97 180.57 3kgc n SER 164 N -3.99 1.52 -4.76 0.08 7.64 -1.00 -5.02 113.62 108.09 3kgc n SER 164 Ca -0.02 -1.26 -0.39 0.00 1.01 0.00 0.00 58.87 58.21 3kgc n SER 164 Cb 0.22 0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.51 3kgc n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kgc s ALA 165 N -0.69 3.07 -0.00 -0.43 0.00 -0.26 -5.03 121.76 118.42 3kgc s ALA 165 Ca 0.08 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 3kgc s ALA 165 Cb 0.06 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3kgc s ALA 165 CO 0.11 -1.13 0.07 -1.83 0.00 0.00 0.00 175.76 172.97 3kgc s GLU 166 N -2.59 0.33 0.90 0.00 -1.05 -1.26 -3.99 118.70 111.03 3kgc s GLU 166 Ca 0.64 -0.33 -0.14 0.00 -0.15 0.00 0.00 54.97 54.99 3kgc s GLU 166 Cb -0.40 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.42 3kgc s GLU 166 CO 0.50 -0.07 0.31 -2.30 0.95 0.00 0.00 175.26 174.66 3kgc n PRO 167 N 1.92 -0.13 -1.72 -4.83 -0.02 -1.26 -5.04 135.00 123.92 3kgc n PRO 167 Ca -0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 3kgc n PRO 167 Cb 0.56 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3kgc n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kgc n SER 168 N -0.60 3.05 -0.29 2.55 2.88 -1.26 -4.89 113.62 115.06 3kgc n SER 168 Ca 0.07 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.93 3kgc n SER 168 Cb 0.53 -1.53 0.18 0.00 -0.75 0.00 0.00 64.21 62.64 3kgc n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3kgc n VAL 169 N 0.29 0.00 -3.13 2.46 0.24 -1.26 -4.94 118.33 111.98 3kgc n VAL 169 Ca 0.04 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 3kgc n VAL 169 Cb 0.37 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 3kgc n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kgc s PHE 170 N -2.59 3.43 0.15 6.34 0.40 -1.26 -3.72 117.98 120.73 3kgc s PHE 170 Ca 0.19 0.99 0.07 0.00 -0.60 0.00 0.00 56.93 57.58 3kgc s PHE 170 Cb 0.18 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 3kgc s PHE 170 CO 0.59 0.07 -0.16 0.14 0.70 0.00 0.00 175.22 176.57 3kgc s VAL 171 N -2.10 1.58 -0.05 -0.44 -7.23 -0.90 -4.95 120.40 106.31 3kgc s VAL 171 Ca 0.50 -1.88 0.12 0.00 -1.81 0.00 0.00 61.98 58.91 3kgc s VAL 171 Cb -0.11 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.02 3kgc s VAL 171 CO 0.25 -0.41 1.27 0.08 -0.31 0.00 0.00 175.10 175.98 3kgc h ARG 172 N 3.24 0.00 -3.98 4.82 -0.00 -1.92 0.10 114.38 116.65 3kgc h ARG 172 Ca -0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.45 3kgc h ARG 172 Cb 1.20 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 31.00 3kgc h ARG 172 CO 0.53 0.65 -0.60 0.95 -0.00 0.00 0.00 179.97 181.50 3kgc s THR 173 N -2.85 0.16 0.22 0.08 -4.23 -1.26 -4.72 115.64 103.03 3kgc s THR 173 Ca 0.02 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3kgc s THR 173 Cb 0.09 -1.01 0.16 0.00 1.34 0.00 0.00 72.50 73.07 3kgc s THR 173 CO 0.78 -0.72 1.80 0.74 -0.54 0.00 0.00 174.62 176.69 3kgc h THR 174 N 3.61 0.94 -0.98 3.99 2.02 -1.96 -2.09 112.91 118.45 3kgc h THR 174 Ca -0.33 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 66.67 3kgc h THR 174 Cb 1.18 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3kgc h THR 174 CO 0.54 0.13 0.63 0.00 0.37 0.00 0.00 175.52 177.19 3kgc h ALA 175 N 1.37 1.42 -0.79 6.16 0.00 -1.96 -1.24 119.26 124.22 3kgc h ALA 175 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kgc h ALA 175 Cb 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3kgc h ALA 175 CO -0.20 0.45 0.43 1.05 0.00 0.00 0.00 179.25 180.97 3kgc h GLU 176 N 1.16 1.10 -0.36 0.00 4.11 -1.80 -0.12 114.58 118.67 3kgc h GLU 176 Ca 0.41 -0.13 -0.05 0.00 0.07 0.00 0.00 59.36 59.66 3kgc h GLU 176 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kgc h GLU 176 CO -0.15 0.82 0.05 0.78 0.07 0.00 0.00 179.01 180.57 3kgc h GLY 177 N 1.09 0.65 0.98 1.06 0.00 -0.98 -1.20 103.07 104.67 3kgc h GLY 177 Ca 0.28 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3kgc h GLY 177 CO -0.04 0.41 0.09 -2.08 0.00 0.00 0.00 176.54 174.92 3kgc h VAL 178 N 0.44 1.25 -0.63 4.60 2.07 -1.12 -1.74 116.25 121.11 3kgc h VAL 178 Ca 0.11 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3kgc h VAL 178 Cb 0.38 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kgc h VAL 178 CO 0.01 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.21 3kgc h ALA 179 N 0.97 1.32 -0.58 1.67 0.00 -0.91 -1.82 119.26 119.91 3kgc h ALA 179 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3kgc h ALA 179 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kgc h ALA 179 CO 0.01 0.52 0.08 -0.09 0.00 0.00 0.00 179.25 179.77 3kgc h ARG 180 N 0.89 0.97 -0.30 0.00 2.43 -0.86 -0.93 114.38 116.58 3kgc h ARG 180 Ca 0.22 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3kgc h ARG 180 Cb 0.12 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3kgc h ARG 180 CO -0.03 0.93 0.11 0.28 -1.51 0.00 0.00 179.97 179.76 3kgc h VAL 181 N 0.87 0.93 0.00 0.20 2.07 -0.90 -2.22 116.25 117.20 3kgc h VAL 181 Ca 0.17 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 3kgc h VAL 181 Cb 0.44 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3kgc h VAL 181 CO 0.01 0.05 -0.34 0.03 0.02 0.00 0.00 177.57 177.34 3kgc h ARG 182 N 0.25 0.00 -0.00 1.57 3.08 -0.89 -3.15 114.38 115.24 3kgc h ARG 182 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kgc h ARG 182 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kgc h ARG 182 CO -0.13 0.34 -0.78 1.63 -1.07 0.00 0.00 179.97 179.96 3kgc n LYS 183 N -4.09 0.34 -0.20 0.04 5.02 -0.40 -4.53 118.16 114.34 3kgc n LYS 183 Ca -0.02 -0.27 0.08 0.00 -2.02 0.00 0.00 58.31 56.07 3kgc n LYS 183 Cb 0.38 -1.49 0.22 0.00 -0.02 0.00 0.00 35.03 34.12 3kgc n LYS 183 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kgc n SER 184 N -1.09 2.30 -3.43 4.39 3.41 -0.85 -4.93 113.62 113.42 3kgc n SER 184 Ca 0.06 -1.96 -0.25 0.00 -0.26 0.00 0.00 58.87 56.46 3kgc n SER 184 Cb 0.37 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3kgc n SER 184 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kgc n LYS 185 N 0.75 -5.56 -0.79 4.33 4.01 -1.26 -1.06 118.16 118.59 3kgc n LYS 185 Ca 0.15 0.74 0.00 0.00 -0.51 0.00 0.00 58.31 58.69 3kgc n LYS 185 Cb 0.37 -5.64 0.00 0.00 -0.51 0.00 0.00 35.03 29.26 3kgc n LYS 185 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kgc n GLY 186 N -1.63 0.81 1.18 0.72 0.00 -1.26 -4.93 105.19 100.08 3kgc n GLY 186 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3kgc n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kgc n LYS 187 N -2.24 2.53 -3.96 1.61 4.76 -0.22 -4.82 118.16 115.82 3kgc n LYS 187 Ca 0.00 -2.33 -0.18 0.00 -2.87 0.00 0.00 58.31 52.93 3kgc n LYS 187 Cb 0.00 -1.52 -0.16 0.00 -1.84 0.00 0.00 35.03 31.50 3kgc n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kgc s TYR 188 N -1.39 0.42 0.06 2.13 5.04 -1.25 -0.55 117.35 121.81 3kgc s TYR 188 Ca 0.41 -0.05 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 3kgc s TYR 188 Cb 0.23 -0.49 -0.04 0.00 0.35 0.00 0.00 41.96 42.02 3kgc s TYR 188 CO 0.32 -0.16 -0.11 0.00 -1.34 0.00 0.00 175.55 174.27 3kgc s ALA 189 N 1.09 2.90 -0.08 3.97 0.00 0.63 -4.55 121.76 125.72 3kgc s ALA 189 Ca -0.09 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.75 3kgc s ALA 189 Cb -0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3kgc s ALA 189 CO -0.02 0.62 -0.24 -0.47 0.00 0.00 0.00 175.76 175.66 3kgc s TYR 190 N -1.10 2.51 -0.32 0.00 5.04 -0.36 -2.73 117.35 120.39 3kgc s TYR 190 Ca 0.19 -0.84 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 3kgc s TYR 190 Cb -0.11 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.52 3kgc s TYR 190 CO 0.10 -0.29 0.25 -0.51 -1.34 0.00 0.00 175.55 173.76 3kgc s LEU 191 N 0.05 4.38 0.20 6.97 1.43 -0.66 -0.51 118.68 130.52 3kgc s LEU 191 Ca -0.10 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 3kgc s LEU 191 Cb -0.15 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3kgc s LEU 191 CO 0.06 -0.20 0.44 -1.48 0.23 0.00 0.00 176.35 175.40 3kgc s LEU 192 N 1.77 0.39 0.40 1.79 2.34 -0.65 -4.41 118.68 120.32 3kgc s LEU 192 Ca 0.07 -0.68 -0.25 0.00 0.06 0.00 0.00 54.13 53.33 3kgc s LEU 192 Cb -0.17 1.79 -0.08 0.00 -0.56 0.00 0.00 46.19 47.17 3kgc s LEU 192 CO 0.11 -1.02 1.20 -1.61 -1.06 0.00 0.00 176.35 173.96 3kgc s GLU 193 N -3.93 4.02 0.41 1.48 2.02 -1.26 -0.43 118.70 121.01 3kgc s GLU 193 Ca 0.14 1.91 0.12 0.00 0.02 0.00 0.00 54.97 57.16 3kgc s GLU 193 Cb 0.00 -2.69 0.96 0.00 0.10 0.00 0.00 34.13 32.51 3kgc s GLU 193 CO 0.00 -0.37 1.96 0.66 0.02 0.00 0.00 175.26 177.54 3kgc h SER 194 N 2.63 0.45 0.75 -0.19 4.64 -0.88 -1.21 113.55 119.73 3kgc h SER 194 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kgc h SER 194 Cb 1.24 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kgc h SER 194 CO 0.62 0.27 -0.09 0.35 -0.87 0.00 0.00 176.83 177.11 3kgc n THR 195 N -4.48 0.00 -0.02 2.95 -2.24 -1.26 -0.45 114.28 108.77 3kgc n THR 195 Ca 0.11 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 3kgc n THR 195 Cb 0.37 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.14 3kgc n THR 195 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3kgc h MET 196 N 0.08 0.19 -0.27 -0.78 2.86 -1.64 -3.33 114.93 112.04 3kgc h MET 196 Ca 0.00 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 3kgc h MET 196 Cb 0.44 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 3kgc h MET 196 CO 0.00 1.16 -0.02 -0.97 1.06 0.00 0.00 176.91 178.14 3kgc h ASN 197 N -0.29 -0.14 -0.70 1.22 -0.73 -1.14 -2.13 115.58 111.67 3kgc h ASN 197 Ca -0.39 0.07 -0.06 0.00 1.87 0.00 0.00 56.30 57.79 3kgc h ASN 197 Cb 1.79 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 40.47 3kgc h ASN 197 CO -0.00 -0.04 0.20 -0.33 -0.37 0.00 0.00 177.43 176.89 3kgc h GLU 198 N 0.06 1.10 -0.42 6.67 5.08 -0.98 -1.25 114.58 124.85 3kgc h GLU 198 Ca 0.13 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kgc h GLU 198 Cb 0.18 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3kgc h GLU 198 CO -0.23 0.96 0.22 -0.92 -1.00 0.00 0.00 179.01 178.04 3kgc h TYR 199 N 1.04 0.42 -0.31 4.33 3.20 -1.61 -3.00 116.97 121.04 3kgc h TYR 199 Ca 0.22 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 3kgc h TYR 199 Cb 0.33 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3kgc h TYR 199 CO 0.03 0.23 -0.39 0.82 -1.64 0.00 0.00 178.16 177.20 3kgc h ILE 200 N 0.45 1.29 0.00 1.81 2.04 -1.03 -2.98 117.51 119.09 3kgc h ILE 200 Ca 0.17 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 3kgc h ILE 200 Cb 0.05 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3kgc h ILE 200 CO -0.10 0.51 -0.04 -0.08 0.00 0.00 0.00 178.15 178.43 3kgc h GLU 201 N 0.60 0.00 -0.11 2.37 4.81 -1.10 -2.43 114.58 118.72 3kgc h GLU 201 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kgc h GLU 201 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3kgc h GLU 201 CO 0.09 0.04 0.00 1.04 -0.73 0.00 0.00 179.01 179.45 3kgc n GLN 202 N -4.46 1.78 -4.34 1.92 6.02 -1.13 -4.78 117.38 112.39 3kgc n GLN 202 Ca -0.03 -1.15 -0.25 0.00 -0.01 0.00 0.00 57.00 55.56 3kgc n GLN 202 Cb 0.13 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 29.83 3kgc n GLN 202 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kgc s ARG 203 N -1.87 1.28 0.58 -1.09 0.52 -0.92 -4.03 118.95 113.42 3kgc s ARG 203 Ca 0.35 -1.32 -0.18 0.00 -0.52 0.00 0.00 55.73 54.05 3kgc s ARG 203 Cb 0.19 -1.54 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 3kgc s ARG 203 CO 0.30 0.34 0.74 1.63 0.02 0.00 0.00 175.30 178.33 3kgc n LYS 204 N 0.71 0.70 0.00 3.54 4.01 -1.26 -1.97 118.16 123.89 3kgc n LYS 204 Ca -0.16 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 3kgc n LYS 204 Cb 0.55 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 3kgc n LYS 204 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3kgc n PRO 205 N -0.47 0.82 -3.74 1.97 -0.04 -1.26 -4.99 135.00 127.29 3kgc n PRO 205 Ca 0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 3kgc n PRO 205 Cb 0.47 -1.12 0.05 0.00 -0.04 0.00 0.00 33.50 32.86 3kgc n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgc n ASP 207 N -2.89 2.20 -4.54 0.00 5.75 -1.26 -5.00 116.55 110.81 3kgc n ASP 207 Ca 0.02 -1.89 -0.24 0.00 -0.01 0.00 0.00 54.79 52.67 3kgc n ASP 207 Cb 0.54 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.47 3kgc n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3kgc s THR 208 N -0.91 2.60 -0.07 2.12 -4.23 -1.26 -1.20 115.64 112.69 3kgc s THR 208 Ca 0.08 -2.23 -0.08 0.00 -1.18 0.00 0.00 61.69 58.28 3kgc s THR 208 Cb 0.04 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3kgc s THR 208 CO 0.06 -0.33 0.22 -0.32 -0.54 0.00 0.00 174.62 173.71 3kgc s MET 209 N -3.59 0.34 -0.07 3.99 1.75 -0.12 -4.78 119.30 116.83 3kgc s MET 209 Ca 0.31 0.17 -0.27 0.00 -1.25 0.00 0.00 55.69 54.65 3kgc s MET 209 Cb -0.03 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 3kgc s MET 209 CO 0.17 -0.06 0.86 0.21 -0.65 0.00 0.00 175.02 175.55 3kgc s LYS 210 N -0.23 4.45 -0.01 4.11 2.20 -1.26 -1.40 119.74 127.60 3kgc s LYS 210 Ca -0.03 1.16 0.08 0.00 -0.36 0.00 0.00 55.97 56.82 3kgc s LYS 210 Cb -0.03 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3kgc s LYS 210 CO 0.01 -0.10 -0.26 0.14 -0.36 0.00 0.00 175.35 174.78 3kgc s VAL 211 N 1.29 2.05 0.04 4.02 -7.23 -0.80 -5.01 120.40 114.75 3kgc s VAL 211 Ca 0.44 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3kgc s VAL 211 Cb -0.19 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.04 3kgc s VAL 211 CO 0.20 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 3kgc n GLY 212 N 2.32 -2.16 3.53 2.32 0.00 -1.15 -4.20 105.19 105.85 3kgc n GLY 212 Ca -0.16 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 3kgc n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgc n GLY 213 N -1.22 -0.88 3.80 -0.02 0.00 -1.26 -4.95 105.19 100.66 3kgc n GLY 213 Ca 0.00 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 3kgc n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kgc s ASN 214 N -5.24 6.61 0.31 1.61 0.01 -1.26 -4.76 114.94 112.22 3kgc s ASN 214 Ca 0.66 1.86 0.21 0.00 -0.71 0.00 0.00 52.86 54.88 3kgc s ASN 214 Cb -0.02 -2.56 0.15 0.00 0.41 0.00 0.00 41.25 39.23 3kgc s ASN 214 CO 0.46 -0.59 1.35 -0.07 -1.51 0.00 0.00 177.10 176.74 3kgc h LEU 215 N 1.82 0.00 0.00 0.60 3.38 -0.80 -3.48 115.31 116.83 3kgc h LEU 215 Ca -0.49 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 3kgc h LEU 215 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3kgc h LEU 215 CO 0.60 0.15 -0.05 -0.90 0.09 0.00 0.00 178.44 178.33 3kgc n ASP 216 N -2.99 -1.17 -3.63 -0.43 5.75 -1.26 -4.93 116.55 107.89 3kgc n ASP 216 Ca 0.01 -2.39 -0.18 0.00 -0.01 0.00 0.00 54.79 52.22 3kgc n ASP 216 Cb 0.60 2.11 -0.15 0.00 -1.03 0.00 0.00 41.12 42.65 3kgc n ASP 216 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3kgc s SER 217 N -2.63 1.05 0.00 -1.12 0.15 -1.26 -4.21 113.70 105.68 3kgc s SER 217 Ca 0.20 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3kgc s SER 217 Cb -0.01 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 3kgc s SER 217 CO 0.14 -0.27 0.00 2.29 1.20 0.00 0.00 173.24 176.60 3kgc n LYS 218 N 5.32 0.00 -3.65 5.44 2.85 -0.00 -5.02 118.16 123.10 3kgc n LYS 218 Ca -0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.11 3kgc n LYS 218 Cb 0.50 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.85 3kgc n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3kgc s GLY 219 N 0.00 -0.28 0.08 2.58 0.00 -1.26 -1.91 107.32 106.53 3kgc s GLY 219 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 3kgc s GLY 219 CO 0.00 -0.07 0.38 -0.19 0.00 0.00 0.00 173.10 173.22 3kgc s TYR 220 N -3.84 3.56 0.16 1.90 2.02 -0.56 -1.90 117.35 118.68 3kgc s TYR 220 Ca 0.07 0.71 0.04 0.00 -0.37 0.00 0.00 57.07 57.52 3kgc s TYR 220 Cb -0.02 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 3kgc s TYR 220 CO -0.04 0.51 -0.08 0.20 -1.57 0.00 0.00 175.55 174.57 3kgc s GLY 221 N -1.90 1.12 -0.08 0.71 0.00 -0.79 -1.23 107.32 105.15 3kgc s GLY 221 Ca 0.34 -1.52 -0.25 0.00 0.00 0.00 0.00 44.72 43.28 3kgc s GLY 221 CO 0.19 -1.59 0.80 -0.42 0.00 0.00 0.00 173.10 172.08 3kgc s ILE 222 N -3.38 4.96 -0.02 0.90 1.01 -1.26 -4.56 121.20 118.84 3kgc s ILE 222 Ca 0.18 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.48 3kgc s ILE 222 Cb 0.03 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3kgc s ILE 222 CO 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 174.94 175.09 3kgc s ALA 223 N 1.24 3.15 0.09 9.38 0.00 -0.86 -0.15 121.76 134.61 3kgc s ALA 223 Ca 0.41 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3kgc s ALA 223 Cb -0.18 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3kgc s ALA 223 CO 0.19 0.62 -0.08 0.95 0.00 0.00 0.00 175.76 177.43 3kgc s THR 224 N -0.98 0.78 0.68 0.00 -4.23 -0.26 -0.41 115.64 111.22 3kgc s THR 224 Ca 0.17 -1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 3kgc s THR 224 Cb -0.11 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.31 3kgc s THR 224 CO 0.07 -0.69 1.23 -2.84 -0.54 0.00 0.00 174.62 171.85 3kgc s PRO 225 N -3.15 2.42 0.25 3.99 0.02 -1.26 -0.76 135.00 136.51 3kgc s PRO 225 Ca 0.07 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 3kgc s PRO 225 Cb 0.00 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 3kgc s PRO 225 CO -0.02 -1.64 1.34 1.63 -0.33 0.00 0.00 177.00 177.98 3kgc n LYS 226 N -2.28 1.93 -1.00 5.54 4.76 -1.26 -1.99 118.16 123.85 3kgc n LYS 226 Ca 0.14 0.68 -0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3kgc n LYS 226 Cb 0.50 -2.30 -0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3kgc n LYS 226 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kgc n GLY 227 N 1.86 0.38 3.77 0.72 0.00 -1.26 -5.00 105.19 105.66 3kgc n GLY 227 Ca 0.11 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kgc n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kgc s SER 228 N -2.01 6.33 0.00 1.61 0.15 -0.84 -4.87 113.70 114.06 3kgc s SER 228 Ca 0.00 3.04 0.18 0.00 0.70 0.00 0.00 55.95 59.87 3kgc s SER 228 Cb 0.00 -2.66 0.95 0.00 -1.71 0.00 0.00 66.02 62.60 3kgc s SER 228 CO 0.00 -0.91 1.53 -1.54 1.20 0.00 0.00 173.24 173.52 3kgc n SER 229 N 1.01 0.00 -0.01 5.45 3.41 -1.26 -3.03 113.62 119.19 3kgc n SER 229 Ca 0.03 -0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.62 3kgc n SER 229 Cb 0.38 -0.21 -0.16 0.00 -0.26 0.00 0.00 64.21 63.96 3kgc n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kgc n LEU 230 N -1.21 0.06 -0.03 1.04 4.32 -1.26 -4.69 117.00 115.22 3kgc n LEU 230 Ca 0.10 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.01 3kgc n LEU 230 Cb 0.12 0.03 -0.03 0.00 -1.62 0.00 0.00 43.42 41.92 3kgc n LEU 230 CO 0.13 0.02 0.65 1.23 -1.22 0.00 0.00 177.39 178.20 3kgc h GLY 231 N 4.00 -0.37 0.96 -0.72 0.00 -1.90 -0.81 103.07 104.22 3kgc h GLY 231 Ca -0.03 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3kgc h GLY 231 CO 0.00 -0.21 0.14 -0.57 0.00 0.00 0.00 176.54 175.89 3kgc h ASN 232 N -0.35 0.29 -0.65 0.19 -1.24 -1.84 -1.96 115.58 110.02 3kgc h ASN 232 Ca 0.11 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 3kgc h ASN 232 Cb 0.53 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 3kgc h ASN 232 CO -0.39 0.28 0.30 0.00 -1.29 0.00 0.00 177.43 176.32 3kgc h ALA 233 N 1.03 0.85 -0.59 1.57 0.00 -1.78 -1.82 119.26 118.51 3kgc h ALA 233 Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kgc h ALA 233 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kgc h ALA 233 CO -0.01 0.43 0.14 0.28 0.00 0.00 0.00 179.25 180.09 3kgc h VAL 234 N 0.91 1.25 -0.33 0.00 2.07 -1.03 -0.28 116.25 118.84 3kgc h VAL 234 Ca 0.22 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3kgc h VAL 234 Cb 0.15 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3kgc h VAL 234 CO -0.02 0.34 0.17 -1.13 0.02 0.00 0.00 177.57 176.94 3kgc h ASN 235 N 0.86 0.42 -0.44 0.57 -1.24 -1.15 -1.16 115.58 113.45 3kgc h ASN 235 Ca 0.19 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 3kgc h ASN 235 Cb 0.35 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 3kgc h ASN 235 CO 0.00 0.41 0.18 -0.07 -1.29 0.00 0.00 177.43 176.66 3kgc h LEU 236 N 0.40 0.64 -0.47 0.34 3.38 -1.08 -2.16 115.31 116.36 3kgc h LEU 236 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kgc h LEU 236 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kgc h LEU 236 CO -0.02 0.59 0.19 0.00 0.09 0.00 0.00 178.44 179.30 3kgc h ALA 237 N 1.50 0.61 -0.46 1.53 0.00 -0.76 -0.18 119.26 121.50 3kgc h ALA 237 Ca 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kgc h ALA 237 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kgc h ALA 237 CO -0.01 0.22 0.28 0.28 0.00 0.00 0.00 179.25 180.01 3kgc h VAL 238 N 0.62 1.05 -0.74 0.00 2.07 -0.87 -0.26 116.25 118.13 3kgc h VAL 238 Ca 0.16 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kgc h VAL 238 Cb 0.19 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kgc h VAL 238 CO -0.01 0.10 0.44 -0.07 0.02 0.00 0.00 177.57 178.05 3kgc h LEU 239 N 0.56 0.89 -0.32 2.57 3.38 -1.15 0.39 115.31 121.64 3kgc h LEU 239 Ca 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kgc h LEU 239 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kgc h LEU 239 CO -0.08 0.70 0.16 0.50 0.09 0.00 0.00 178.44 179.81 3kgc h LYS 240 N 1.01 0.45 -0.67 1.13 3.64 -0.63 -0.97 116.57 120.54 3kgc h LYS 240 Ca 0.27 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3kgc h LYS 240 Cb -0.03 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3kgc h LYS 240 CO -0.05 0.40 0.26 -0.07 -2.27 0.00 0.00 179.45 177.73 3kgc h LEU 241 N 0.39 0.90 0.38 5.20 3.38 -0.76 0.77 115.31 125.57 3kgc h LEU 241 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kgc h LEU 241 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kgc h LEU 241 CO -0.02 0.81 -0.19 -1.28 0.09 0.00 0.00 178.44 177.85 3kgc h SER 242 N 0.97 -0.47 0.50 -0.43 0.87 -0.65 -0.85 113.55 113.48 3kgc h SER 242 Ca 0.23 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3kgc h SER 242 Cb 0.19 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3kgc h SER 242 CO -0.02 -0.33 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.36 3kgc h GLU 243 N -0.53 0.00 0.00 2.24 5.08 -0.76 -1.32 114.58 119.29 3kgc h GLU 243 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kgc h GLU 243 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kgc h GLU 243 CO 0.08 0.26 0.00 1.04 -1.00 0.00 0.00 179.01 179.39 3kgc n GLN 244 N -3.78 0.10 -0.98 2.33 6.02 0.23 -4.91 117.38 116.39 3kgc n GLN 244 Ca -0.01 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3kgc n GLN 244 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3kgc n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgc n GLY 245 N 0.90 0.89 0.30 1.08 0.00 -0.50 -4.94 105.19 102.93 3kgc n GLY 245 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3kgc n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kgc h LEU 246 N 0.00 1.00 -0.89 0.99 7.12 -1.36 -0.95 115.31 121.23 3kgc h LEU 246 Ca 0.00 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.71 3kgc h LEU 246 Cb 0.00 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 39.83 3kgc h LEU 246 CO 0.00 1.01 0.37 -0.07 -0.13 0.00 0.00 178.44 179.62 3kgc h LEU 247 N 0.96 1.07 -0.62 2.25 3.38 -1.83 -0.05 115.31 120.47 3kgc h LEU 247 Ca 0.19 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3kgc h LEU 247 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kgc h LEU 247 CO 0.01 0.91 -0.41 0.44 0.09 0.00 0.00 178.44 179.48 3kgc h ASP 248 N 1.15 0.66 -0.45 -0.43 3.32 -1.82 -0.97 116.42 117.89 3kgc h ASP 248 Ca 0.28 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kgc h ASP 248 Cb 0.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kgc h ASP 248 CO -0.03 0.99 0.30 0.50 -1.72 0.00 0.00 179.24 179.28 3kgc h LYS 249 N 0.51 0.59 -0.56 3.56 3.64 -0.60 0.35 116.57 124.05 3kgc h LYS 249 Ca 0.04 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3kgc h LYS 249 Cb 0.93 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3kgc h LYS 249 CO 0.08 0.39 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.52 3kgc h LEU 250 N 0.61 1.02 -0.24 5.20 3.38 -0.81 -0.89 115.31 123.57 3kgc h LEU 250 Ca 0.16 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3kgc h LEU 250 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3kgc h LEU 250 CO -0.04 1.11 0.09 0.50 0.09 0.00 0.00 178.44 180.19 3kgc h LYS 251 N 0.93 0.36 -0.42 1.13 1.63 -0.93 -1.11 116.57 118.15 3kgc h LYS 251 Ca 0.15 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3kgc h LYS 251 Cb 0.62 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3kgc h LYS 251 CO 0.04 0.41 -0.00 -0.91 -3.45 0.00 0.00 179.45 175.54 3kgc h ASN 252 N 0.24 0.65 0.26 4.20 -0.26 -0.78 0.17 115.58 120.05 3kgc h ASN 252 Ca 0.08 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 3kgc h ASN 252 Cb 0.19 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3kgc h ASN 252 CO -0.01 0.72 -0.12 0.50 -1.06 0.00 0.00 177.43 177.47 3kgc h LYS 253 N 0.65 -0.33 0.00 0.81 3.64 -0.98 -1.94 116.57 118.41 3kgc h LYS 253 Ca 0.13 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3kgc h LYS 253 Cb 0.41 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3kgc h LYS 253 CO 0.02 -0.13 -0.36 -1.49 -2.27 0.00 0.00 179.45 175.21 3kgc h TRP 254 N -0.47 0.00 -0.64 1.91 4.06 -1.00 -3.09 115.95 116.73 3kgc h TRP 254 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3kgc h TRP 254 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3kgc h TRP 254 CO -0.03 0.27 0.00 0.91 -3.56 0.00 0.00 178.44 176.04 3kgc n TRP 255 N -3.13 0.95 -1.64 0.49 8.01 0.03 -4.88 117.44 117.26 3kgc n TRP 255 Ca 0.02 -0.52 -0.50 0.00 -1.31 0.00 0.00 57.50 55.19 3kgc n TRP 255 Cb 0.65 -0.05 -0.05 0.00 -2.01 0.00 0.00 31.31 29.85 3kgc n TRP 255 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.69 177.66 3kgc n TYR 256 N 1.31 1.94 -3.00 -5.99 9.36 -0.73 -4.91 117.16 115.14 3kgc n TYR 256 Ca 0.22 0.42 -0.43 0.00 3.32 0.00 0.00 57.90 61.43 3kgc n TYR 256 Cb 0.63 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.82 3kgc n TYR 256 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kgc s ASP 257 N 1.42 6.32 0.00 2.98 -1.08 -1.26 -4.90 116.67 120.15 3kgc s ASP 257 Ca 0.85 -0.46 0.09 0.00 -0.52 0.00 0.00 52.55 52.51 3kgc s ASP 257 Cb -0.84 -2.36 0.47 0.00 -1.46 0.00 0.00 42.92 38.72 3kgc s ASP 257 CO 0.47 -0.99 1.32 2.29 0.52 0.00 0.00 175.17 178.77 3kgc n LYS 258 N 6.72 1.18 -2.24 4.34 -0.00 -1.26 -4.90 118.16 122.00 3kgc n LYS 258 Ca -0.01 -0.27 -0.11 0.00 -0.00 0.00 0.00 58.31 57.92 3kgc n LYS 258 Cb 0.47 -1.17 -0.00 0.00 -0.00 0.00 0.00 35.03 34.33 3kgc n LYS 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kgc n GLY 259 N 0.73 -0.05 0.24 2.58 0.00 -1.26 -4.93 105.19 102.49 3kgc n GLY 259 Ca 0.08 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3kgc n GLY 259 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kgc h GLU 260 N -0.07 0.00 -0.01 1.61 9.09 -1.91 -3.53 114.58 119.76 3kgc h GLU 260 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3kgc h GLU 260 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3kgc h GLU 260 CO 0.30 0.17 0.00 0.00 0.05 0.00 0.00 179.01 179.53