#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l n ARG 11 N 0.00 0.41 0.00 1.61 0.63 -1.26 -3.73 116.66 114.32 3h1l n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3h1l n ARG 11 Cb 0.00 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.68 3h1l n ARG 11 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3h1l n LEU 12 N 0.41 1.33 0.00 6.15 7.94 -1.26 -3.96 117.00 127.61 3h1l n LEU 12 Ca 0.00 0.14 0.03 0.00 -1.11 0.00 0.00 56.01 55.07 3h1l n LEU 12 Cb 0.13 -0.19 0.19 0.00 0.53 0.00 0.00 43.42 44.07 3h1l n LEU 12 CO 0.00 -0.19 0.39 1.15 -1.11 0.00 0.00 177.39 177.63 3h1l n MET 13 N -1.30 0.39 0.06 1.96 0.00 -1.24 -1.28 117.12 115.70 3h1l n MET 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 3h1l n MET 13 Cb 0.00 -1.25 0.20 0.00 0.00 0.00 0.00 33.22 32.17 3h1l n MET 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3h1l n ASP 14 N -0.75 0.67 -0.02 3.17 -0.08 -1.25 -1.89 116.55 116.40 3h1l n ASP 14 Ca 0.05 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 3h1l n ASP 14 Cb 0.02 0.09 -0.07 0.00 2.34 0.00 0.00 41.12 43.50 3h1l n ASP 14 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3h1l n ARG 15 N -2.05 1.39 -0.04 -0.67 1.85 -0.40 -4.25 116.66 112.48 3h1l n ARG 15 Ca 0.04 -0.05 -0.11 0.00 -1.00 0.00 0.00 57.85 56.73 3h1l n ARG 15 Cb 0.43 -1.22 -0.05 0.00 -1.05 0.00 0.00 32.46 30.57 3h1l n ARG 15 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3h1l h ILE 16 N 0.00 1.17 -0.65 8.89 2.04 -1.52 -2.13 117.51 125.31 3h1l h ILE 16 Ca -0.11 -0.54 0.13 0.00 1.00 0.00 0.00 64.86 65.34 3h1l h ILE 16 Cb 0.95 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 38.15 3h1l h ILE 16 CO 0.01 0.17 0.13 0.03 0.00 0.00 0.00 178.15 178.48 3h1l h ARG 17 N 0.10 0.24 -0.34 2.37 3.08 -1.59 0.37 114.38 118.62 3h1l h ARG 17 Ca 0.05 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3h1l h ARG 17 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3h1l h ARG 17 CO -0.00 0.16 0.01 -0.22 -1.07 0.00 0.00 179.97 178.85 3h1l h LYS 18 N 0.25 0.51 0.58 0.04 3.64 -1.70 0.18 116.57 120.07 3h1l h LYS 18 Ca 0.35 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3h1l h LYS 18 Cb 0.56 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3h1l h LYS 18 CO -0.45 0.53 -0.28 2.35 -2.27 0.00 0.00 179.45 179.33 3h1l h TRP 19 N 0.50 -0.72 -0.97 1.91 7.01 0.22 -2.65 115.95 121.26 3h1l h TRP 19 Ca 0.11 -0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.28 3h1l h TRP 19 Cb 0.30 0.24 -0.11 0.00 -2.10 0.00 0.00 29.16 27.49 3h1l h TRP 19 CO 0.01 -0.39 0.56 -0.92 -2.79 0.00 0.00 178.44 174.91 3h1l h TYR 20 N -1.11 0.98 -0.87 2.65 3.20 -0.29 0.56 116.97 122.09 3h1l h TYR 20 Ca -0.08 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.88 3h1l h TYR 20 Cb 0.64 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3h1l h TYR 20 CO 0.01 0.19 0.55 -0.92 -1.64 0.00 0.00 178.16 176.35 3h1l h TYR 21 N 0.70 1.02 0.00 -3.82 3.20 -0.55 0.46 116.97 117.98 3h1l h TYR 21 Ca 0.56 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.42 3h1l h TYR 21 Cb 0.89 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3h1l h TYR 21 CO -0.03 0.55 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.93 3h1l h ASN 22 N 1.03 0.00 0.05 -2.11 2.35 -0.61 -3.20 115.58 113.08 3h1l h ASN 22 Ca 0.37 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3h1l h ASN 22 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3h1l h ASN 22 CO -0.15 0.20 -0.02 0.00 -1.65 0.00 0.00 177.43 175.81 3h1l h ALA 23 N 1.80 -0.06 -0.17 -0.83 0.00 0.28 -3.26 119.26 117.02 3h1l h ALA 23 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h1l h ALA 23 Cb 1.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3h1l h ALA 23 CO 0.03 -0.30 -0.38 0.00 0.00 0.00 0.00 179.25 178.60 3h1l h ALA 24 N 0.37 -0.48 0.00 0.00 0.00 -1.01 -3.46 119.26 114.68 3h1l h ALA 24 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h1l h ALA 24 Cb 0.48 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3h1l h ALA 24 CO 0.01 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.80 3h1l n GLY 25 N -1.43 0.59 0.14 0.00 0.00 -1.21 -4.91 105.19 98.38 3h1l n GLY 25 Ca -0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3h1l n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3h1l h PHE 26 N 0.00 0.00 0.00 1.61 -5.15 -1.90 -1.09 116.94 110.41 3h1l h PHE 26 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3h1l h PHE 26 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 3h1l h PHE 26 CO 0.00 0.00 -0.07 -2.95 -2.00 0.00 0.00 178.31 173.29 3h1l h ASN 27 N 0.00 0.00 0.30 -0.68 -1.07 -1.87 -2.65 115.58 109.60 3h1l h ASN 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3h1l h ASN 27 Cb 0.41 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.66 3h1l h ASN 27 CO 0.00 0.07 0.00 0.11 0.07 0.00 0.00 177.43 177.68 3h1l h LYS 28 N 0.00 0.00 0.00 4.14 1.57 -1.55 -0.46 116.57 120.27 3h1l h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h1l h LYS 28 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3h1l h LYS 28 CO 0.01 0.00 -1.08 0.66 -0.57 0.00 0.00 179.45 178.47 3h1l n TYR 29 N -2.91 0.03 -0.43 -1.35 4.02 -1.02 -1.38 117.16 114.12 3h1l n TYR 29 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3h1l n TYR 29 Cb 0.13 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3h1l n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h1l n GLY 30 N 1.46 0.74 3.79 2.72 0.00 -0.19 -4.49 105.19 109.22 3h1l n GLY 30 Ca 0.03 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3h1l n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1l s LEU 31 N 0.00 4.33 0.69 0.99 1.43 -1.10 -4.93 118.68 120.10 3h1l s LEU 31 Ca 0.00 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 3h1l s LEU 31 Cb 0.00 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3h1l s LEU 31 CO 0.00 0.24 1.06 -0.04 0.23 0.00 0.00 176.35 177.84 3h1l s MET 32 N -0.30 2.95 0.43 1.70 -1.94 -1.26 -4.21 119.30 116.67 3h1l s MET 32 Ca 0.17 0.96 0.20 0.00 -1.71 0.00 0.00 55.69 55.31 3h1l s MET 32 Cb -0.13 -1.99 1.14 0.00 2.01 0.00 0.00 34.83 35.85 3h1l s MET 32 CO 0.05 -1.09 1.82 -0.09 -0.01 0.00 0.00 175.02 175.71 3h1l h ARG 33 N -0.69 0.35 0.00 2.03 2.43 -1.94 0.97 114.38 117.52 3h1l h ARG 33 Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3h1l h ARG 33 Cb 1.21 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3h1l h ARG 33 CO 0.57 0.23 0.00 -0.25 -1.51 0.00 0.00 179.97 179.01 3h1l n ASP 34 N -4.52 0.50 0.18 -3.80 9.92 -1.26 -3.08 116.55 114.49 3h1l n ASP 34 Ca 0.22 0.55 0.13 0.00 -0.53 0.00 0.00 54.79 55.16 3h1l n ASP 34 Cb 0.81 -0.69 0.40 0.00 -0.64 0.00 0.00 41.12 41.00 3h1l n ASP 34 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3h1l h ASP 35 N 0.00 0.00 0.38 -2.24 3.32 -1.14 -3.23 116.42 113.52 3h1l h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h1l h ASP 35 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3h1l h ASP 35 CO 0.00 0.00 -0.72 0.35 -1.72 0.00 0.00 179.24 177.15 3h1l n THR 36 N -2.68 0.05 -1.63 0.35 -2.24 -1.18 -4.95 114.28 101.99 3h1l n THR 36 Ca 0.04 -0.06 -0.46 0.00 -2.27 0.00 0.00 64.05 61.30 3h1l n THR 36 Cb 0.41 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3h1l n THR 36 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h1l n LEU 37 N -1.61 2.40 -4.71 3.22 4.77 -1.22 -4.89 117.00 114.96 3h1l n LEU 37 Ca 0.04 1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 3h1l n LEU 37 Cb 0.36 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 3h1l n LEU 37 CO 0.38 -0.89 0.81 -0.47 -1.33 0.00 0.00 177.39 175.89 3h1l s TYR 38 N -0.27 3.49 -0.79 -1.77 5.04 -1.26 -4.93 117.35 116.86 3h1l s TYR 38 Ca 0.68 1.47 -0.24 0.00 -2.44 0.00 0.00 57.07 56.54 3h1l s TYR 38 Cb -0.73 -3.29 -0.17 0.00 0.35 0.00 0.00 41.96 38.12 3h1l s TYR 38 CO 0.52 -0.71 1.89 0.39 -1.34 0.00 0.00 175.55 176.30 3h1l n GLU 39 N 4.19 1.27 0.00 4.97 1.02 -1.26 -4.87 120.64 125.96 3h1l n GLU 39 Ca 0.08 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.33 3h1l n GLU 39 Cb 0.48 -3.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 3h1l n GLU 39 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1l n ASP 40 N 10.04 -0.00 -0.15 1.62 5.68 -1.26 -4.70 116.55 127.77 3h1l n ASP 40 Ca 0.48 -0.26 -0.08 0.00 -0.50 0.00 0.00 54.79 54.42 3h1l n ASP 40 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3h1l n ASP 40 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3h1l h ASP 41 N -0.00 0.59 0.14 -1.12 3.45 -2.00 -2.22 116.42 115.26 3h1l h ASP 41 Ca 0.00 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 3h1l h ASP 41 Cb 0.00 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 3h1l h ASP 41 CO 0.00 0.56 -0.06 0.44 -1.57 0.00 0.00 179.24 178.61 3h1l h ASP 42 N 0.58 -0.15 -0.72 6.45 5.19 -1.97 -2.38 116.42 123.42 3h1l h ASP 42 Ca 0.15 -0.25 0.14 0.00 -0.62 0.00 0.00 57.03 56.45 3h1l h ASP 42 Cb 0.13 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.59 3h1l h ASP 42 CO -0.02 0.18 0.26 0.58 -3.12 0.00 0.00 179.24 177.11 3h1l h VAL 43 N -0.50 0.65 -0.45 -1.35 2.07 -1.89 0.16 116.25 114.94 3h1l h VAL 43 Ca -0.02 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3h1l h VAL 43 Cb 0.40 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3h1l h VAL 43 CO 0.03 0.07 0.24 0.11 0.02 0.00 0.00 177.57 178.04 3h1l h LYS 44 N 0.39 0.46 0.11 1.57 1.57 -1.27 -0.73 116.57 118.67 3h1l h LYS 44 Ca 0.39 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3h1l h LYS 44 Cb 0.59 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3h1l h LYS 44 CO -0.41 0.30 -0.05 1.49 -0.57 0.00 0.00 179.45 180.21 3h1l h GLU 45 N 0.47 -0.14 -0.35 3.15 4.57 -0.59 -2.83 114.58 118.87 3h1l h GLU 45 Ca 0.19 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.42 3h1l h GLU 45 Cb 0.08 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 3h1l h GLU 45 CO -0.12 0.01 -0.52 0.00 -1.18 0.00 0.00 179.01 177.20 3h1l h ALA 46 N 0.63 -0.76 -0.97 2.92 0.00 -0.36 0.48 119.26 121.20 3h1l h ALA 46 Ca -0.01 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.17 3h1l h ALA 46 Cb 0.21 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3h1l h ALA 46 CO 0.02 -1.00 0.80 -0.07 0.00 0.00 0.00 179.25 179.00 3h1l h LEU 47 N -0.39 0.00 -0.78 0.00 3.38 -1.01 0.84 115.31 117.35 3h1l h LEU 47 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h1l h LEU 47 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3h1l h LEU 47 CO -0.53 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.11 3h1l h LYS 48 N 0.00 0.00 -0.01 1.13 1.57 -0.65 -2.90 116.57 115.71 3h1l h LYS 48 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3h1l h LYS 48 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 3h1l h LYS 48 CO -0.00 0.00 -0.23 0.54 -0.57 0.00 0.00 179.45 179.18 3h1l n ARG 49 N -3.07 1.13 -2.21 3.15 1.74 0.29 -4.93 116.66 112.76 3h1l n ARG 49 Ca 0.02 -0.73 -0.41 0.00 -0.77 0.00 0.00 57.85 55.96 3h1l n ARG 49 Cb 0.41 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3h1l n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3h1l s LEU 50 N -2.38 4.46 0.46 0.55 1.43 -1.10 -4.97 118.68 117.14 3h1l s LEU 50 Ca 0.26 2.58 -0.24 0.00 -1.03 0.00 0.00 54.13 55.71 3h1l s LEU 50 Cb 0.19 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 3h1l s LEU 50 CO 0.48 -0.44 1.28 -2.84 0.23 0.00 0.00 176.35 175.07 3h1l s PRO 51 N -1.70 3.68 0.08 1.29 0.02 -1.26 -4.74 135.00 132.36 3h1l s PRO 51 Ca 0.48 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 3h1l s PRO 51 Cb -0.38 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 3h1l s PRO 51 CO 0.50 -0.71 0.87 1.17 -0.33 0.00 0.00 177.00 178.50 3h1l n LYS 52 N -0.37 -0.23 -0.16 5.54 3.00 -1.26 -1.35 118.16 123.33 3h1l n LYS 52 Ca 0.07 0.85 -0.07 0.00 -0.00 0.00 0.00 58.31 59.16 3h1l n LYS 52 Cb 0.45 -1.26 0.02 0.00 0.00 0.00 0.00 35.03 34.24 3h1l n LYS 52 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 3h1l h ASP 53 N 0.00 0.57 -0.26 3.14 3.04 -1.99 -1.47 116.42 119.45 3h1l h ASP 53 Ca 0.08 -0.04 -0.00 0.00 -3.24 0.00 0.00 57.03 53.83 3h1l h ASP 53 Cb 0.21 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 3h1l h ASP 53 CO -0.48 0.44 0.15 -0.07 -2.04 0.00 0.00 179.24 177.24 3h1l h LEU 54 N 0.65 0.33 -0.06 0.15 3.38 -1.57 -1.36 115.31 116.83 3h1l h LEU 54 Ca 0.18 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 3h1l h LEU 54 Cb -0.04 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h1l h LEU 54 CO -0.04 0.27 -0.72 0.22 0.09 0.00 0.00 178.44 178.27 3h1l h TYR 55 N 0.38 0.84 0.00 1.13 3.20 -1.07 -2.56 116.97 118.90 3h1l h TYR 55 Ca 0.10 -0.41 -0.06 0.00 3.14 0.00 0.00 58.73 61.50 3h1l h TYR 55 Cb 0.01 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3h1l h TYR 55 CO 0.00 1.23 -0.27 -0.91 -1.64 0.00 0.00 178.16 176.57 3h1l h ASN 56 N 0.22 0.00 0.01 -2.11 2.35 -0.78 -1.45 115.58 113.83 3h1l h ASN 56 Ca -0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3h1l h ASN 56 Cb 1.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.76 3h1l h ASN 56 CO 0.14 0.27 -0.34 -0.33 -1.65 0.00 0.00 177.43 175.53 3h1l h GLU 57 N 0.00 0.21 -0.53 0.81 5.08 -1.29 -2.72 114.58 116.14 3h1l h GLU 57 Ca -0.00 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3h1l h GLU 57 Cb 0.63 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3h1l h GLU 57 CO 0.04 0.99 0.35 -0.09 -1.00 0.00 0.00 179.01 179.30 3h1l h ARG 58 N -0.47 0.49 0.08 2.33 2.43 -1.32 -0.76 114.38 117.16 3h1l h ARG 58 Ca -0.05 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h1l h ARG 58 Cb 1.12 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3h1l h ARG 58 CO 0.07 0.33 -0.04 1.98 -1.51 0.00 0.00 179.97 180.80 3h1l h MET 59 N 0.51 -0.10 -0.56 0.20 4.05 -1.26 -2.64 114.93 115.13 3h1l h MET 59 Ca 0.23 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.67 3h1l h MET 59 Cb 0.25 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3h1l h MET 59 CO -0.06 0.24 0.36 0.35 0.23 0.00 0.00 176.91 178.03 3h1l h PHE 60 N -0.44 0.68 -0.58 1.39 3.57 -1.07 0.20 116.94 120.68 3h1l h PHE 60 Ca -0.01 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.62 3h1l h PHE 60 Cb 0.38 -0.23 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3h1l h PHE 60 CO 0.04 0.41 0.09 0.00 -2.23 0.00 0.00 178.31 176.62 3h1l h ARG 61 N 0.73 0.21 -0.04 1.11 3.08 -1.16 0.52 114.38 118.83 3h1l h ARG 61 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3h1l h ARG 61 Cb -0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3h1l h ARG 61 CO -0.06 0.14 -0.04 0.82 -1.07 0.00 0.00 179.97 179.75 3h1l h ILE 62 N 0.21 1.38 0.00 2.04 2.04 -1.05 -1.23 117.51 120.90 3h1l h ILE 62 Ca 0.31 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3h1l h ILE 62 Cb 0.46 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3h1l h ILE 62 CO -0.42 0.32 -0.01 0.50 0.00 0.00 0.00 178.15 178.54 3h1l h LYS 63 N -0.35 0.00 0.18 2.37 3.11 -0.30 -1.25 116.57 120.33 3h1l h LYS 63 Ca 0.01 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.50 3h1l h LYS 63 Cb 0.54 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.78 3h1l h LYS 63 CO 0.01 0.01 -1.71 -0.09 -2.81 0.00 0.00 179.45 174.85 3h1l h ARG 64 N 0.00 0.38 -0.71 1.90 2.43 -0.78 -3.05 114.38 114.54 3h1l h ARG 64 Ca -0.00 -0.64 -0.06 0.00 -0.81 0.00 0.00 59.98 58.46 3h1l h ARG 64 Cb 0.06 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3h1l h ARG 64 CO 0.00 1.29 0.19 0.00 -1.51 0.00 0.00 179.97 179.94 3h1l h ALA 65 N 0.18 0.99 -0.43 2.80 0.00 -0.54 -0.38 119.26 121.88 3h1l h ALA 65 Ca -0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3h1l h ALA 65 Cb 2.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3h1l h ALA 65 CO 0.18 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 180.12 3h1l h LEU 66 N 1.07 0.66 -1.53 0.00 3.38 -1.37 0.86 115.31 118.37 3h1l h LEU 66 Ca 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3h1l h LEU 66 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3h1l h LEU 66 CO -0.00 0.72 -0.05 -0.78 0.09 0.00 0.00 178.44 178.43 3h1l h ASP 67 N 0.56 0.22 0.52 -0.43 1.82 -1.36 -0.19 116.42 117.57 3h1l h ASP 67 Ca 0.13 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 3h1l h ASP 67 Cb 0.33 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.29 3h1l h ASP 67 CO 0.00 0.31 -0.25 -0.07 -1.61 0.00 0.00 179.24 177.62 3h1l h LEU 68 N 0.24 -0.60 -1.98 2.28 3.38 -0.32 -2.84 115.31 115.47 3h1l h LEU 68 Ca 0.05 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.18 3h1l h LEU 68 Cb 0.24 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3h1l h LEU 68 CO 0.01 -0.24 0.56 -1.28 0.09 0.00 0.00 178.44 177.58 3h1l h SER 69 N -0.99 0.00 0.77 -0.43 0.87 -0.03 0.36 113.55 114.09 3h1l h SER 69 Ca -0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.31 3h1l h SER 69 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3h1l h SER 69 CO 0.12 0.00 -0.84 0.17 -0.53 0.00 0.00 176.83 175.74 3h1l h LEU 70 N 0.00 0.07 0.00 2.23 8.10 -1.01 -3.19 115.31 121.51 3h1l h LEU 70 Ca 0.35 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.28 3h1l h LEU 70 Cb 1.47 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.67 3h1l h LEU 70 CO -0.00 0.88 -0.41 0.11 -4.11 0.00 0.00 178.44 174.90 3h1l h LYS 71 N 0.03 0.00 -2.65 0.17 1.57 -0.17 -3.48 116.57 112.04 3h1l h LYS 71 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3h1l h LYS 71 Cb 1.48 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.84 3h1l h LYS 71 CO 0.11 0.00 -0.23 0.72 -0.57 0.00 0.00 179.45 179.48 3h1l n HIS 72 N -2.85 -0.99 -4.26 -1.35 8.25 0.21 -5.05 115.22 109.19 3h1l n HIS 72 Ca 0.03 0.35 -0.12 0.00 -0.26 0.00 0.00 57.72 57.71 3h1l n HIS 72 Cb 0.53 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.23 3h1l n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3h1l n ARG 73 N -2.04 0.94 -4.13 -0.41 5.12 -1.17 -5.04 116.66 109.95 3h1l n ARG 73 Ca 0.00 -1.60 -0.16 0.00 -1.93 0.00 0.00 57.85 54.16 3h1l n ARG 73 Cb 0.52 0.75 -0.05 0.00 -1.16 0.00 0.00 32.46 32.53 3h1l n ARG 73 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3h1l s ILE 74 N -2.14 0.00 0.29 0.55 -4.36 -1.26 -4.50 121.20 109.78 3h1l s ILE 74 Ca 0.07 -1.68 -0.27 0.00 -0.26 0.00 0.00 60.65 58.52 3h1l s ILE 74 Cb 0.00 -2.63 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 3h1l s ILE 74 CO 0.05 0.00 0.92 -0.76 0.24 0.00 0.00 174.94 175.39 3h1l s LEU 75 N -3.27 4.43 0.15 0.37 1.43 -0.48 -4.98 118.68 116.33 3h1l s LEU 75 Ca 0.33 1.83 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 3h1l s LEU 75 Cb 0.00 -3.86 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 3h1l s LEU 75 CO 0.22 0.01 1.74 -2.84 0.23 0.00 0.00 176.35 175.71 3h1l s PRO 76 N -1.79 4.15 0.00 1.29 0.02 -1.26 -4.75 135.00 132.66 3h1l s PRO 76 Ca 0.47 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.02 3h1l s PRO 76 Cb -0.21 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.94 3h1l s PRO 76 CO 0.26 -0.77 0.00 1.17 -0.33 0.00 0.00 177.00 177.33 3h1l n LYS 77 N 4.91 0.00 -0.17 5.54 4.81 -1.26 -0.54 118.16 131.45 3h1l n LYS 77 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.57 3h1l n LYS 77 Cb 0.38 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.49 3h1l n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1l h GLU 78 N 0.00 0.45 0.00 1.64 3.07 -2.03 -2.95 114.58 114.76 3h1l h GLU 78 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3h1l h GLU 78 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3h1l h GLU 78 CO 0.00 0.29 0.00 1.04 -1.40 0.00 0.00 179.01 178.94 3h1l n GLN 79 N -4.92 0.67 -1.81 2.33 6.02 0.30 -4.90 117.38 115.07 3h1l n GLN 79 Ca 0.05 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.65 3h1l n GLN 79 Cb 0.17 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.93 3h1l n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3h1l s TRP 80 N -2.25 2.54 0.57 1.08 0.52 -1.12 -4.82 118.94 115.45 3h1l s TRP 80 Ca 0.35 1.21 -0.19 0.00 0.02 0.00 0.00 56.10 57.49 3h1l s TRP 80 Cb 0.19 -3.98 -0.05 0.00 -1.15 0.00 0.00 33.47 28.48 3h1l s TRP 80 CO 0.37 -2.96 1.17 0.08 0.02 0.00 0.00 176.95 175.63 3h1l s VAL 81 N -1.15 2.91 -0.11 4.03 1.01 -1.21 -5.01 120.40 120.87 3h1l s VAL 81 Ca 0.56 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 3h1l s VAL 81 Cb -0.45 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3h1l s VAL 81 CO 0.60 -0.12 -0.10 -0.54 0.00 0.00 0.00 175.10 174.94 3h1l s LYS 82 N -3.30 3.20 0.28 2.72 1.02 -1.26 -4.89 119.74 117.52 3h1l s LYS 82 Ca 0.75 -0.63 0.20 0.00 0.02 0.00 0.00 55.97 56.31 3h1l s LYS 82 Cb -0.27 -2.65 0.98 0.00 -0.52 0.00 0.00 37.83 35.37 3h1l s LYS 82 CO 0.30 0.36 1.05 0.98 -0.92 0.00 0.00 175.35 177.12 3h1l n TYR 83 N 3.11 0.56 0.35 3.18 9.36 -1.26 0.77 117.16 133.24 3h1l n TYR 83 Ca -0.18 0.56 0.11 0.00 3.32 0.00 0.00 57.90 61.72 3h1l n TYR 83 Cb 0.53 -0.97 0.02 0.00 -0.63 0.00 0.00 39.34 38.28 3h1l n TYR 83 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 3h1l n GLU 84 N -4.16 0.43 -0.60 2.98 0.00 -1.26 -4.06 120.64 113.98 3h1l n GLU 84 Ca 0.27 0.03 0.09 0.00 0.00 0.00 0.00 57.16 57.54 3h1l n GLU 84 Cb 1.00 -1.67 0.34 0.00 0.00 0.00 0.00 31.44 31.11 3h1l n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h1l n GLU 85 N -2.25 3.64 -2.95 3.44 1.02 0.23 -4.89 120.64 118.88 3h1l n GLU 85 Ca 0.01 -2.74 -0.42 0.00 -0.02 0.00 0.00 57.16 53.99 3h1l n GLU 85 Cb 0.49 -1.88 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3h1l n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h1l s ASP 86 N -0.87 6.55 -0.23 1.62 -1.08 -1.11 -4.79 116.67 116.76 3h1l s ASP 86 Ca 0.49 0.34 -0.25 0.00 -0.52 0.00 0.00 52.55 52.61 3h1l s ASP 86 Cb 0.32 -2.40 -0.00 0.00 -1.46 0.00 0.00 42.92 39.37 3h1l s ASP 86 CO 0.23 -0.74 0.85 -0.54 0.52 0.00 0.00 175.17 175.49 3h1l s LYS 87 N 3.12 4.21 -1.42 4.34 -0.14 -1.26 -4.94 119.74 123.64 3h1l s LYS 87 Ca 0.31 0.99 -0.10 0.00 -1.36 0.00 0.00 55.97 55.82 3h1l s LYS 87 Cb -0.13 -3.63 0.06 0.00 -1.68 0.00 0.00 37.83 32.44 3h1l s LYS 87 CO 0.17 -0.50 2.37 -0.35 -0.76 0.00 0.00 175.35 176.28 3h1l n PRO 88 N 5.93 3.73 0.19 -1.68 -0.04 -1.26 -4.76 135.00 137.11 3h1l n PRO 88 Ca 0.06 -2.96 0.17 0.00 -0.04 0.00 0.00 63.50 60.73 3h1l n PRO 88 Cb 0.48 -2.90 0.80 0.00 -0.04 0.00 0.00 33.50 31.84 3h1l n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3h1l h TYR 89 N 5.31 0.00 0.00 0.54 -0.00 -1.98 -3.14 116.97 117.69 3h1l h TYR 89 Ca 0.64 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 59.06 3h1l h TYR 89 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.13 3h1l h TYR 89 CO 1.56 0.00 -2.15 -0.11 -0.00 0.00 0.00 178.16 177.45 3h1l n LEU 90 N -3.94 0.06 -0.29 0.10 7.94 -1.26 -4.68 117.00 114.92 3h1l n LEU 90 Ca 0.02 -0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.98 3h1l n LEU 90 Cb 0.32 0.39 0.14 0.00 0.53 0.00 0.00 43.42 44.80 3h1l n LEU 90 CO 0.29 0.42 0.56 1.21 -1.11 0.00 0.00 177.39 178.76 3h1l n GLU 91 N -2.63 -0.07 -0.12 1.96 4.07 -1.19 -1.36 120.64 121.31 3h1l n GLU 91 Ca -0.28 1.25 -0.12 0.00 -0.06 0.00 0.00 57.16 57.95 3h1l n GLU 91 Cb 1.04 -1.89 -0.02 0.00 -0.06 0.00 0.00 31.44 30.51 3h1l n GLU 91 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3h1l h PRO 92 N 0.00 0.83 0.46 5.31 0.13 -1.84 -1.56 132.00 135.34 3h1l h PRO 92 Ca 0.41 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3h1l h PRO 92 Cb 0.68 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3h1l h PRO 92 CO -0.82 1.04 -0.22 1.88 -0.23 0.00 0.00 178.00 179.65 3h1l h TYR 93 N 0.63 -0.58 -0.82 1.56 -1.99 -1.51 -2.63 116.97 111.64 3h1l h TYR 93 Ca 0.07 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.95 3h1l h TYR 93 Cb 0.83 0.19 -0.10 0.00 2.00 0.00 0.00 36.73 39.65 3h1l h TYR 93 CO 0.06 -0.33 0.36 1.25 -0.00 0.00 0.00 178.16 179.50 3h1l h LEU 94 N -0.68 0.36 -0.78 3.88 5.85 -1.29 -0.12 115.31 122.53 3h1l h LEU 94 Ca -0.06 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3h1l h LEU 94 Cb 0.51 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3h1l h LEU 94 CO 0.10 0.12 0.40 0.11 -0.34 0.00 0.00 178.44 178.83 3h1l h LYS 95 N 0.49 0.62 -0.29 1.25 1.57 -0.93 -1.27 116.57 118.02 3h1l h LYS 95 Ca 0.46 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 3h1l h LYS 95 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3h1l h LYS 95 CO -0.42 0.41 -0.10 1.49 -0.57 0.00 0.00 179.45 180.26 3h1l h GLU 96 N 0.64 0.57 -0.47 3.15 4.57 -0.74 -1.52 114.58 120.78 3h1l h GLU 96 Ca 0.40 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 3h1l h GLU 96 Cb 0.48 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3h1l h GLU 96 CO -0.31 0.79 0.22 0.28 -1.18 0.00 0.00 179.01 178.82 3h1l h VAL 97 N 0.33 0.94 0.00 0.32 2.07 -0.66 0.38 116.25 119.63 3h1l h VAL 97 Ca 0.07 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3h1l h VAL 97 Cb 0.60 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3h1l h VAL 97 CO 0.03 0.08 -0.18 0.40 0.02 0.00 0.00 177.57 177.92 3h1l h ILE 98 N 0.45 0.52 0.16 4.57 2.04 -1.19 -2.14 117.51 121.91 3h1l h ILE 98 Ca 0.21 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3h1l h ILE 98 Cb 0.13 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3h1l h ILE 98 CO -0.16 0.18 -0.08 -0.09 0.00 0.00 0.00 178.15 178.01 3h1l h ARG 99 N 0.00 -0.20 -0.97 2.37 2.43 0.07 -2.54 114.38 115.53 3h1l h ARG 99 Ca -0.00 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 3h1l h ARG 99 Cb 0.62 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 3h1l h ARG 99 CO 0.02 0.22 0.62 0.93 -1.51 0.00 0.00 179.97 180.25 3h1l h GLU 100 N -0.88 0.89 -0.06 0.20 5.08 -0.24 -2.36 114.58 117.21 3h1l h GLU 100 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3h1l h GLU 100 Cb 0.52 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3h1l h GLU 100 CO 0.04 0.59 0.01 -0.09 -1.00 0.00 0.00 179.01 178.55 3h1l h ARG 101 N 0.91 0.10 -0.24 2.33 2.43 -1.42 -2.59 114.38 115.90 3h1l h ARG 101 Ca 0.48 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.65 3h1l h ARG 101 Cb 0.55 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3h1l h ARG 101 CO -0.25 0.31 0.16 -0.07 -1.51 0.00 0.00 179.97 178.61 3h1l h LEU 102 N -0.13 0.19 0.92 3.80 3.38 -0.99 -0.34 115.31 122.14 3h1l h LEU 102 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3h1l h LEU 102 Cb 0.25 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3h1l h LEU 102 CO 0.00 0.13 -0.44 -0.08 0.09 0.00 0.00 178.44 178.14 3h1l h GLU 103 N 0.22 -1.19 -0.13 1.13 4.81 -1.22 -1.09 114.58 117.10 3h1l h GLU 103 Ca 0.10 0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3h1l h GLU 103 Cb 0.12 0.27 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 3h1l h GLU 103 CO -0.02 -0.79 -0.51 0.00 -0.73 0.00 0.00 179.01 176.96 3h1l h ARG 104 N -1.29 -0.54 -0.71 1.92 3.08 -1.02 0.21 114.38 116.04 3h1l h ARG 104 Ca -0.13 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.09 3h1l h ARG 104 Cb 0.95 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.99 3h1l h ARG 104 CO 0.21 -0.36 -0.31 0.93 -1.07 0.00 0.00 179.97 179.37 3h1l h GLU 105 N -0.56 -0.09 -0.55 0.04 5.08 -1.04 0.07 114.58 117.54 3h1l h GLU 105 Ca 0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3h1l h GLU 105 Cb 0.67 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3h1l h GLU 105 CO -0.43 -0.06 0.19 0.00 -1.00 0.00 0.00 179.01 177.71 3h1l h ALA 106 N 1.26 0.72 0.00 3.43 0.00 -0.55 -2.86 119.26 121.25 3h1l h ALA 106 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h1l h ALA 106 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h1l h ALA 106 CO -0.76 0.36 -0.04 2.35 0.00 0.00 0.00 179.25 181.15 3h1l h TRP 107 N 0.76 0.00 0.00 0.00 2.91 0.12 -2.68 115.95 117.06 3h1l h TRP 107 Ca 0.18 0.00 -0.20 0.00 1.13 0.00 0.00 58.89 60.00 3h1l h TRP 107 Cb 0.25 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 3h1l h TRP 107 CO 0.01 0.04 -1.41 -0.91 -1.03 0.00 0.00 178.44 175.15 3h1l h ASN 108 N 0.00 0.00 0.07 2.65 2.35 -0.94 -3.32 115.58 116.39 3h1l h ASN 108 Ca -0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 3h1l h ASN 108 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.63 3h1l h ASN 108 CO 0.01 0.72 -1.14 0.11 -1.65 0.00 0.00 177.43 175.48 3h1l h LYS 109 N 0.00 0.66 0.00 0.81 1.57 -1.50 -3.52 116.57 114.60 3h1l h LYS 109 Ca -0.18 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 57.82 3h1l h LYS 109 Cb 1.71 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.26 3h1l h LYS 109 CO 0.06 1.35 0.00 1.17 -0.57 0.00 0.00 179.45 181.46