#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccx s LYS 2 N 0.00 0.79 0.35 1.96 1.02 -1.26 -1.21 119.74 121.39 2ccx s LYS 2 Ca 0.00 -0.32 0.09 0.00 0.02 0.00 0.00 55.97 55.76 2ccx s LYS 2 Cb 0.00 -0.75 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 2ccx s LYS 2 CO 0.00 0.17 0.06 0.00 -0.92 0.00 0.00 175.35 174.66 2ccx s ASN 4 N -3.76 4.28 0.22 0.00 -0.87 -1.12 -0.33 114.94 113.36 2ccx s ASN 4 Ca 0.36 -0.16 0.01 0.00 -1.57 0.00 0.00 52.86 51.49 2ccx s ASN 4 Cb 0.00 -0.24 0.01 0.00 -0.02 0.00 0.00 41.25 41.00 2ccx s ASN 4 CO 0.20 -1.91 0.05 0.00 -2.57 0.00 0.00 177.10 172.88 2ccx n GLN 5 N -2.94 1.38 0.00 -0.60 1.13 0.11 -4.48 117.38 111.98 2ccx n GLN 5 Ca 0.14 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.66 2ccx n GLN 5 Cb 0.60 0.34 0.00 0.00 0.11 0.00 0.00 30.24 31.29 2ccx n GLN 5 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2ccx n LEU 6 N 0.00 0.00 0.12 1.08 -0.00 -1.26 -4.82 117.00 112.11 2ccx n LEU 6 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.84 2ccx n LEU 6 Cb 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.63 2ccx n LEU 6 CO 0.15 0.00 0.35 0.40 -0.00 0.00 0.00 177.39 178.29 2ccx h ILE 7 N 0.00 0.51 -4.13 1.47 1.08 -1.96 -3.45 117.51 111.03 2ccx h ILE 7 Ca 0.00 -0.87 -0.48 0.00 -0.39 0.00 0.00 64.86 63.12 2ccx h ILE 7 Cb 0.00 0.84 0.14 0.00 -3.07 0.00 0.00 36.82 34.73 2ccx h ILE 7 CO 0.00 0.13 0.27 -2.16 -0.69 0.00 0.00 178.15 175.70 2ccx s PRO 8 N -3.53 1.44 0.00 2.37 0.04 -1.26 -4.92 135.00 129.14 2ccx s PRO 8 Ca -0.11 0.78 0.18 0.00 0.04 0.00 0.00 61.00 61.89 2ccx s PRO 8 Cb 0.01 -1.83 1.10 0.00 0.04 0.00 0.00 34.50 33.82 2ccx s PRO 8 CO 0.40 -2.10 1.55 -0.35 0.04 0.00 0.00 177.00 176.53 2ccx n PRO 9 N -3.78 0.74 -1.66 0.56 -0.04 -1.26 -4.70 135.00 124.86 2ccx n PRO 9 Ca 0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 2ccx n PRO 9 Cb 0.55 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2ccx n PRO 9 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ccx n PHE 10 N -0.89 1.73 -4.14 0.54 3.72 -1.26 -4.81 117.46 112.35 2ccx n PHE 10 Ca 0.14 0.54 -0.10 0.00 -0.05 0.00 0.00 57.45 57.98 2ccx n PHE 10 Cb 0.06 -2.32 -0.10 0.00 -0.94 0.00 0.00 39.48 36.19 2ccx n PHE 10 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 2ccx s TRP 11 N -1.21 0.77 -0.11 1.38 1.48 -1.26 0.08 118.94 120.06 2ccx s TRP 11 Ca 0.62 -0.93 -0.04 0.00 -1.06 0.00 0.00 56.10 54.69 2ccx s TRP 11 Cb -0.54 -0.47 0.06 0.00 -1.16 0.00 0.00 33.47 31.35 2ccx s TRP 11 CO 0.58 -0.21 0.16 0.21 -4.06 0.00 0.00 176.95 173.63 2ccx s LYS 12 N -3.71 0.06 0.09 3.25 2.20 0.56 -4.89 119.74 117.30 2ccx s LYS 12 Ca 0.09 0.42 -0.31 0.00 -0.36 0.00 0.00 55.97 55.81 2ccx s LYS 12 Cb 0.05 -0.62 -0.08 0.00 -1.51 0.00 0.00 37.83 35.67 2ccx s LYS 12 CO -0.06 -0.41 1.43 0.99 -0.36 0.00 0.00 175.35 176.94 2ccx s THR 13 N 2.28 3.30 0.13 3.43 2.01 -1.26 -0.88 115.64 124.65 2ccx s THR 13 Ca 0.04 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 2ccx s THR 13 Cb -0.13 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 2ccx s THR 13 CO -0.07 0.05 0.81 0.00 -0.69 0.00 0.00 174.62 174.72 2ccx s PRO 15 N -0.73 2.77 0.32 0.00 0.04 -1.26 -4.56 135.00 131.58 2ccx s PRO 15 Ca 0.38 1.23 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 2ccx s PRO 15 Cb -0.23 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 2ccx s PRO 15 CO 0.26 -1.25 1.17 0.21 0.04 0.00 0.00 177.00 177.44 2ccx s LYS 16 N -4.45 4.45 0.00 4.56 2.47 -1.26 -2.32 119.74 123.19 2ccx s LYS 16 Ca 0.63 1.93 0.00 0.00 -1.56 0.00 0.00 55.97 56.97 2ccx s LYS 16 Cb -0.18 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.14 2ccx s LYS 16 CO 0.46 -0.00 0.00 0.41 0.16 0.00 0.00 175.35 176.38 2ccx n GLY 17 N 0.96 0.49 2.54 5.54 0.00 -1.26 -4.95 105.19 108.51 2ccx n GLY 17 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2ccx n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ccx n LYS 18 N -2.93 1.09 -2.03 1.61 4.81 -0.98 -4.62 118.16 115.12 2ccx n LYS 18 Ca 0.00 -2.99 -0.32 0.00 -0.87 0.00 0.00 58.31 54.13 2ccx n LYS 18 Cb 0.00 -1.19 0.03 0.00 0.02 0.00 0.00 35.03 33.89 2ccx n LYS 18 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ccx n ASN 19 N -0.01 6.17 -4.84 3.14 3.02 -1.19 -3.81 115.26 117.73 2ccx n ASN 19 Ca 0.12 -3.78 -0.22 0.00 -0.03 0.00 0.00 54.58 50.67 2ccx n ASN 19 Cb 0.77 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ccx s LEU 20 N -3.77 3.77 -0.18 3.41 1.43 -1.20 -4.70 118.68 117.43 2ccx s LEU 20 Ca 0.53 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2ccx s LEU 20 Cb 0.43 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2ccx s LEU 20 CO -0.19 -0.15 -0.00 0.00 0.23 0.00 0.00 176.35 176.23 2ccx s TYR 22 N 0.70 3.49 -0.27 0.00 1.13 -0.97 -2.25 117.35 119.18 2ccx s TYR 22 Ca -0.00 0.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.89 2ccx s TYR 22 Cb -0.14 -1.73 0.07 0.00 -1.10 0.00 0.00 41.96 39.05 2ccx s TYR 22 CO 0.02 0.51 -0.05 0.21 -2.51 0.00 0.00 175.55 173.73 2ccx s LYS 23 N -3.06 1.82 -0.63 -3.49 2.20 -0.23 -3.10 119.74 113.26 2ccx s LYS 23 Ca 0.36 -1.33 -0.24 0.00 -0.36 0.00 0.00 55.97 54.40 2ccx s LYS 23 Cb -0.12 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.44 2ccx s LYS 23 CO 0.28 -0.67 1.02 1.41 -0.36 0.00 0.00 175.35 177.03 2ccx s MET 24 N 1.18 3.23 0.53 4.03 -2.45 -1.26 -2.42 119.30 122.14 2ccx s MET 24 Ca -0.03 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.01 2ccx s MET 24 Cb -0.19 -4.14 0.03 0.00 1.25 0.00 0.00 34.83 31.78 2ccx s MET 24 CO -0.07 -1.74 0.35 0.95 1.05 0.00 0.00 175.02 175.56 2ccx s THR 25 N 4.36 1.63 -0.17 10.11 -4.23 0.61 -0.68 115.64 127.27 2ccx s THR 25 Ca 0.29 -1.55 -0.10 0.00 -1.18 0.00 0.00 61.69 59.15 2ccx s THR 25 Cb -0.13 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 2ccx s THR 25 CO 0.15 0.00 0.16 -0.04 -0.54 0.00 0.00 174.62 174.35 2ccx s MET 26 N -4.22 3.97 0.32 3.99 -1.94 -1.26 -0.36 119.30 119.80 2ccx s MET 26 Ca 0.31 -0.14 0.10 0.00 -1.71 0.00 0.00 55.69 54.25 2ccx s MET 26 Cb -0.02 -3.35 0.55 0.00 2.01 0.00 0.00 34.83 34.03 2ccx s MET 26 CO 0.19 0.45 1.74 -0.09 -0.01 0.00 0.00 175.02 177.29 2ccx h ARG 27 N 6.11 0.07 -0.15 2.03 2.43 -1.18 -2.69 114.38 120.99 2ccx h ARG 27 Ca -0.45 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.55 2ccx h ARG 27 Cb 1.18 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2ccx h ARG 27 CO 0.70 0.50 -0.46 0.00 -1.51 0.00 0.00 179.97 179.20 2ccx h ALA 28 N 1.49 0.93 -0.10 2.80 0.00 -1.75 -3.44 119.26 119.20 2ccx h ALA 28 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2ccx h ALA 28 Cb 0.81 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 2ccx h ALA 28 CO 0.06 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.86 2ccx n ALA 29 N -2.49 -3.59 -0.86 0.00 0.00 -1.23 -5.06 120.51 107.28 2ccx n ALA 29 Ca -0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 2ccx n ALA 29 Cb 0.53 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.76 2ccx n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ccx n PRO 30 N 2.03 2.38 0.11 0.00 -0.04 -1.02 -4.29 135.00 134.17 2ccx n PRO 30 Ca 0.06 -1.54 -0.22 0.00 -0.04 0.00 0.00 63.50 61.76 2ccx n PRO 30 Cb 0.68 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 2ccx n PRO 30 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2ccx h MET 31 N 5.73 0.43 -4.55 0.54 4.05 -1.97 -3.46 114.93 115.71 2ccx h MET 31 Ca 0.54 -0.74 -0.57 0.00 -0.28 0.00 0.00 59.70 58.65 2ccx h MET 31 Cb 0.29 0.28 -0.36 0.00 -0.80 0.00 0.00 31.60 31.01 2ccx h MET 31 CO 1.39 1.34 -0.82 0.08 0.23 0.00 0.00 176.91 179.13 2ccx s VAL 32 N -2.61 1.37 0.22 -5.77 1.01 -1.26 -5.12 120.40 108.24 2ccx s VAL 32 Ca -0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2ccx s VAL 32 Cb 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 2ccx s VAL 32 CO 0.90 0.42 1.25 -2.16 0.00 0.00 0.00 175.10 175.52 2ccx s PRO 33 N 1.38 4.44 -0.13 2.72 0.04 -1.26 -4.50 135.00 137.70 2ccx s PRO 33 Ca 0.01 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 2ccx s PRO 33 Cb -0.13 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2ccx s PRO 33 CO -0.07 -0.14 0.03 0.28 0.04 0.00 0.00 177.00 177.14 2ccx h VAL 34 N 3.57 0.25 0.00 -0.36 2.07 -1.27 -3.47 116.25 117.04 2ccx h VAL 34 Ca -0.45 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2ccx h VAL 34 Cb 1.22 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2ccx h VAL 34 CO 0.74 0.08 0.00 0.29 0.02 0.00 0.00 177.57 178.70 2ccx n LYS 35 N -4.68 0.00 -1.11 1.57 5.02 -1.26 -5.03 118.16 112.67 2ccx n LYS 35 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2ccx n LYS 35 Cb 0.19 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2ccx n LYS 35 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ccx n ARG 36 N -2.69 -3.14 -3.54 1.97 1.74 -1.26 -4.54 116.66 105.20 2ccx n ARG 36 Ca 0.00 2.31 0.00 0.00 -0.77 0.00 0.00 57.85 59.39 2ccx n ARG 36 Cb 0.00 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 2ccx n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ccx n GLY 37 N -0.50 -0.64 3.55 -0.13 0.00 -1.18 -4.90 105.19 101.39 2ccx n GLY 37 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2ccx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccx s ILE 39 N -0.88 0.32 -0.04 0.00 2.07 -1.24 -4.96 121.20 116.46 2ccx s ILE 39 Ca 0.14 -1.98 -0.16 0.00 -1.41 0.00 0.00 60.65 57.24 2ccx s ILE 39 Cb -0.11 -2.36 -0.10 0.00 0.13 0.00 0.00 42.46 40.02 2ccx s ILE 39 CO 0.04 -0.21 0.68 -2.24 -1.91 0.00 0.00 174.94 171.31 2ccx h ASP 40 N 2.62 -0.37 -3.11 4.50 2.03 -1.83 -3.13 116.42 117.14 2ccx h ASP 40 Ca -0.37 -0.09 -0.47 0.00 -0.73 0.00 0.00 57.03 55.38 2ccx h ASP 40 Cb 1.23 0.09 -0.14 0.00 -0.83 0.00 0.00 39.33 39.68 2ccx h ASP 40 CO 0.59 0.10 -0.68 0.54 -1.03 0.00 0.00 179.24 178.76 2ccx s VAL 41 N -3.31 1.56 -0.46 4.15 0.11 -1.26 -4.64 120.40 116.56 2ccx s VAL 41 Ca -0.09 -2.12 -0.43 0.00 -2.93 0.00 0.00 61.98 56.41 2ccx s VAL 41 Cb 0.01 -2.38 -0.18 0.00 -1.53 0.00 0.00 36.38 32.30 2ccx s VAL 41 CO 0.30 -0.35 1.99 0.00 -3.33 0.00 0.00 175.10 173.72 2ccx s PRO 43 N 5.15 1.62 -0.07 0.00 0.04 -1.26 -5.03 135.00 135.44 2ccx s PRO 43 Ca 1.13 1.22 0.01 0.00 0.04 0.00 0.00 61.00 63.40 2ccx s PRO 43 Cb -1.37 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2ccx s PRO 43 CO 0.67 -2.11 -0.08 0.21 0.04 0.00 0.00 177.00 175.73 2ccx s LYS 44 N -4.82 2.80 0.86 4.56 2.47 -1.26 -4.82 119.74 119.52 2ccx s LYS 44 Ca 0.63 -0.58 -0.11 0.00 -1.56 0.00 0.00 55.97 54.36 2ccx s LYS 44 Cb -0.19 -2.58 0.11 0.00 -1.46 0.00 0.00 37.83 33.71 2ccx s LYS 44 CO 0.57 0.61 1.09 -1.12 0.16 0.00 0.00 175.35 176.66 2ccx s SER 45 N -0.66 3.79 0.18 1.43 0.01 -1.26 -4.65 113.70 112.55 2ccx s SER 45 Ca 0.10 1.64 -0.03 0.00 1.31 0.00 0.00 55.95 58.97 2ccx s SER 45 Cb -0.11 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.81 2ccx s SER 45 CO 0.02 -2.46 0.29 -1.54 0.41 0.00 0.00 173.24 169.96 2ccx n SER 46 N -3.78 -0.83 0.06 2.44 3.41 0.93 -4.95 113.62 110.89 2ccx n SER 46 Ca 0.08 -1.90 -0.18 0.00 -0.26 0.00 0.00 58.87 56.60 2ccx n SER 46 Cb 0.54 1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 65.88 2ccx n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ccx h LEU 47 N 0.00 0.77 0.00 1.04 7.12 -2.01 -3.32 115.31 118.91 2ccx h LEU 47 Ca -0.15 -0.65 0.00 0.00 0.13 0.00 0.00 57.88 57.22 2ccx h LEU 47 Cb 0.60 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2ccx h LEU 47 CO 0.19 1.45 -0.04 -0.07 -0.13 0.00 0.00 178.44 179.85 2ccx h LEU 48 N 0.31 0.00 -9.43 2.25 3.38 -1.97 -3.40 115.31 106.45 2ccx h LEU 48 Ca -0.13 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.17 2ccx h LEU 48 Cb 1.72 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.35 2ccx h LEU 48 CO 0.20 0.51 -0.56 -0.63 0.09 0.00 0.00 178.44 178.05 2ccx s ILE 49 N -1.59 4.83 -0.09 1.22 -1.09 -1.25 -0.77 121.20 122.46 2ccx s ILE 49 Ca -0.01 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2ccx s ILE 49 Cb 0.00 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2ccx s ILE 49 CO 0.02 0.61 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.49 2ccx s LYS 50 N -0.93 2.94 0.05 2.79 2.20 0.52 -0.05 119.74 127.26 2ccx s LYS 50 Ca 0.14 -0.61 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 2ccx s LYS 50 Cb -0.12 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2ccx s LYS 50 CO 0.03 0.51 -0.19 0.71 -0.36 0.00 0.00 175.35 176.05 2ccx s TYR 51 N -0.40 1.64 0.12 4.03 2.02 -1.26 -0.29 117.35 123.21 2ccx s TYR 51 Ca 0.05 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2ccx s TYR 51 Cb -0.12 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 2ccx s TYR 51 CO 0.02 0.09 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.34 2ccx s MET 52 N -1.24 0.98 0.11 -0.62 -1.94 -1.02 -4.58 119.30 110.99 2ccx s MET 52 Ca 0.06 -1.32 -0.03 0.00 -1.71 0.00 0.00 55.69 52.68 2ccx s MET 52 Cb -0.09 -0.62 -0.03 0.00 2.01 0.00 0.00 34.83 36.10 2ccx s MET 52 CO 0.02 0.09 0.09 0.00 -0.01 0.00 0.00 175.02 175.20 2ccx s ASN 55 N -3.43 0.10 -0.02 0.00 2.20 -1.26 -2.75 114.94 109.77 2ccx s ASN 55 Ca 0.22 -1.72 -0.23 0.00 -0.94 0.00 0.00 52.86 50.19 2ccx s ASN 55 Cb -0.01 0.97 0.05 0.00 -2.00 0.00 0.00 41.25 40.25 2ccx s ASN 55 CO 0.02 -0.18 0.50 0.42 -2.94 0.00 0.00 177.10 174.92 2ccx s THR 56 N 1.15 0.03 -0.41 0.54 -4.23 -1.26 -5.07 115.64 106.39 2ccx s THR 56 Ca 0.22 -0.24 -0.27 0.00 -1.18 0.00 0.00 61.69 60.22 2ccx s THR 56 Cb -0.07 -0.83 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 2ccx s THR 56 CO -0.07 -0.13 2.19 0.20 -0.54 0.00 0.00 174.62 176.27 2ccx s ASN 57 N -1.35 5.05 -0.50 3.99 -0.87 -1.26 -2.30 114.94 117.70 2ccx s ASN 57 Ca -0.11 1.23 -0.01 0.00 -1.57 0.00 0.00 52.86 52.40 2ccx s ASN 57 Cb -0.02 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.69 2ccx s ASN 57 CO 0.06 -2.38 0.42 0.29 -2.57 0.00 0.00 177.10 172.92 2ccx n LYS 58 N 8.89 -2.28 -3.15 -0.60 5.02 0.46 -4.97 118.16 121.54 2ccx n LYS 58 Ca 0.30 0.37 -0.39 0.00 -2.02 0.00 0.00 58.31 56.57 2ccx n LYS 58 Cb 0.50 -3.77 -0.02 0.00 -0.02 0.00 0.00 35.03 31.73 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88