#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 0.73 0.25 1.96 -2.85 -1.26 -2.18 119.74 116.38 2ccx s LYS 2 Ca 0.00 0.32 -0.12 0.00 -1.00 0.00 0.00 55.97 55.18 2ccx s LYS 2 Cb 0.00 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2ccx s LYS 2 CO 0.00 -0.17 0.46 0.00 0.10 0.00 0.00 175.35 175.74 2ccx s ASN 4 N -3.03 6.64 0.03 0.00 0.01 -0.86 -3.14 114.94 114.60 2ccx s ASN 4 Ca 0.24 1.68 0.08 0.00 -0.71 0.00 0.00 52.86 54.15 2ccx s ASN 4 Cb -0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2ccx s ASN 4 CO 0.09 -0.57 -0.24 -1.10 -1.51 0.00 0.00 177.10 173.77 2ccx s GLN 5 N -3.63 1.71 1.19 -0.60 -0.21 -1.22 -4.46 119.66 112.44 2ccx s GLN 5 Ca 0.61 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.99 2ccx s GLN 5 Cb -0.11 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.09 2ccx s GLN 5 CO 0.23 0.48 0.00 1.28 -2.12 0.00 0.00 175.29 175.16 2ccx n LEU 6 N 1.96 0.00 0.31 2.90 4.77 -1.26 -3.82 117.00 121.87 2ccx n LEU 6 Ca -0.17 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.65 2ccx n LEU 6 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2ccx n LEU 6 CO 0.23 -0.17 0.67 0.40 -1.33 0.00 0.00 177.39 177.20 2ccx h ILE 7 N 0.00 0.44 -4.27 -0.08 1.08 -1.96 -3.46 117.51 109.26 2ccx h ILE 7 Ca 0.00 -0.04 -0.47 0.00 -0.39 0.00 0.00 64.86 63.96 2ccx h ILE 7 Cb 0.00 0.46 0.12 0.00 -3.07 0.00 0.00 36.82 34.33 2ccx h ILE 7 CO 0.00 0.01 0.32 -2.16 -0.69 0.00 0.00 178.15 175.62 2ccx s PRO 8 N -5.98 1.54 -1.14 2.37 0.04 -1.26 -4.90 135.00 125.67 2ccx s PRO 8 Ca -0.17 0.42 -0.07 0.00 0.04 0.00 0.00 61.00 61.22 2ccx s PRO 8 Cb 0.04 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2ccx s PRO 8 CO 0.62 -1.95 2.38 -0.35 0.04 0.00 0.00 177.00 177.73 2ccx n PRO 9 N -3.62 2.59 -1.67 0.56 -0.04 -1.26 -3.97 135.00 127.59 2ccx n PRO 9 Ca 0.07 -1.71 -0.34 0.00 -0.04 0.00 0.00 63.50 61.48 2ccx n PRO 9 Cb 0.58 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 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 4.08 2.05 -2.67 0.54 3.01 -1.25 -4.90 117.46 118.32 2ccx n PHE 10 Ca 0.55 -2.48 -0.35 0.00 1.01 0.00 0.00 57.45 56.19 2ccx n PHE 10 Cb 0.17 -1.76 -0.05 0.00 -0.01 0.00 0.00 39.48 37.82 2ccx n PHE 10 CO 0.00 0.00 0.00 1.67 1.01 0.00 0.00 176.76 179.44 2ccx s TRP 11 N -0.72 3.31 0.10 1.38 1.48 -1.26 -3.40 118.94 119.82 2ccx s TRP 11 Ca 0.59 1.65 0.01 0.00 -1.06 0.00 0.00 56.10 57.28 2ccx s TRP 11 Cb 0.26 -3.00 -0.04 0.00 -1.16 0.00 0.00 33.47 29.53 2ccx s TRP 11 CO -0.12 -0.36 -0.03 0.15 -4.06 0.00 0.00 176.95 172.53 2ccx s LYS 12 N -2.74 0.81 0.12 3.25 -0.14 -1.19 -4.96 119.74 114.88 2ccx s LYS 12 Ca 0.59 -1.33 -0.27 0.00 -1.36 0.00 0.00 55.97 53.60 2ccx s LYS 12 Cb -0.17 -0.04 -0.07 0.00 -1.68 0.00 0.00 37.83 35.88 2ccx s LYS 12 CO 0.21 -0.08 0.84 0.99 -0.76 0.00 0.00 175.35 176.55 2ccx s THR 13 N -3.76 4.49 0.44 2.17 2.01 -1.26 -3.26 115.64 116.47 2ccx s THR 13 Ca 0.13 1.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.72 2ccx s THR 13 Cb 0.06 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 2ccx s THR 13 CO -0.05 0.41 1.21 0.00 -0.69 0.00 0.00 174.62 175.51 2ccx s PRO 15 N -2.49 3.11 0.28 0.00 0.04 -1.26 -4.91 135.00 129.76 2ccx s PRO 15 Ca 0.61 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2ccx s PRO 15 Cb -0.32 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 2ccx s PRO 15 CO 0.40 -0.98 1.57 0.21 0.04 0.00 0.00 177.00 178.24 2ccx s LYS 16 N -4.36 4.15 0.00 4.56 2.47 -1.26 -0.92 119.74 124.38 2ccx s LYS 16 Ca 0.62 2.52 0.00 0.00 -1.56 0.00 0.00 55.97 57.56 2ccx s LYS 16 Cb -0.16 -3.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 2ccx s LYS 16 CO 0.43 -0.59 0.00 0.41 0.16 0.00 0.00 175.35 175.76 2ccx n GLY 17 N 2.20 1.58 2.94 5.54 0.00 -1.26 -5.04 105.19 111.14 2ccx n GLY 17 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2ccx n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ccx s LYS 18 N -0.91 1.73 -0.36 1.61 1.02 -0.10 -4.30 119.74 118.43 2ccx s LYS 18 Ca 0.00 -0.42 0.14 0.00 0.02 0.00 0.00 55.97 55.71 2ccx s LYS 18 Cb 0.00 -1.85 0.40 0.00 -0.52 0.00 0.00 37.83 35.86 2ccx s LYS 18 CO 0.00 -0.30 0.94 0.09 -0.92 0.00 0.00 175.35 175.16 2ccx n ASN 19 N 4.87 0.42 -4.83 2.83 4.13 -1.22 -4.10 115.26 117.37 2ccx n ASN 19 Ca -0.14 -2.88 -0.26 0.00 1.68 0.00 0.00 54.58 52.98 2ccx n ASN 19 Cb 0.49 -0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 38.58 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2ccx s LEU 20 N -2.81 2.88 -0.07 3.41 1.43 -0.96 -4.85 118.68 117.71 2ccx s LEU 20 Ca 0.30 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 2ccx s LEU 20 Cb 0.40 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2ccx s LEU 20 CO -0.03 -0.84 -0.16 0.00 0.23 0.00 0.00 176.35 175.55 2ccx s TYR 22 N 0.43 2.15 -0.11 0.00 1.13 -0.59 -2.53 117.35 117.83 2ccx s TYR 22 Ca -0.13 -0.43 -0.03 0.00 -1.41 0.00 0.00 57.07 55.07 2ccx s TYR 22 Cb -0.15 -1.01 0.04 0.00 -1.10 0.00 0.00 41.96 39.74 2ccx s TYR 22 CO 0.05 0.59 0.05 0.21 -2.51 0.00 0.00 175.55 173.94 2ccx s LYS 23 N -3.57 0.24 -0.42 -3.49 2.20 -1.09 -3.42 119.74 110.18 2ccx s LYS 23 Ca 0.29 0.04 -0.19 0.00 -0.36 0.00 0.00 55.97 55.74 2ccx s LYS 23 Cb -0.02 -1.30 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 2ccx s LYS 23 CO 0.13 -0.48 0.56 1.41 -0.36 0.00 0.00 175.35 176.61 2ccx s MET 24 N 2.07 3.27 0.45 4.03 -2.45 -0.97 -2.31 119.30 123.39 2ccx s MET 24 Ca 0.03 -0.47 0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2ccx s MET 24 Cb -0.14 -3.94 -0.05 0.00 1.25 0.00 0.00 34.83 31.96 2ccx s MET 24 CO -0.06 -0.91 0.01 0.95 1.05 0.00 0.00 175.02 176.06 2ccx s THR 25 N 2.54 1.52 0.34 10.11 -4.23 0.18 -1.89 115.64 124.21 2ccx s THR 25 Ca 0.19 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 2ccx s THR 25 Cb -0.15 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2ccx s THR 25 CO 0.16 0.00 0.62 -0.04 -0.54 0.00 0.00 174.62 174.82 2ccx s MET 26 N -3.80 3.63 0.07 3.99 -1.94 -1.26 -0.13 119.30 119.86 2ccx s MET 26 Ca 0.21 0.07 -0.15 0.00 -1.71 0.00 0.00 55.69 54.11 2ccx s MET 26 Cb 0.06 -2.57 -0.21 0.00 2.01 0.00 0.00 34.83 34.11 2ccx s MET 26 CO 0.11 0.12 1.20 -0.09 -0.01 0.00 0.00 175.02 176.35 2ccx h ARG 27 N 1.36 0.67 0.00 2.03 9.65 -1.40 -2.99 114.38 123.69 2ccx h ARG 27 Ca -0.48 -0.66 -0.06 0.00 -1.10 0.00 0.00 59.98 57.68 2ccx h ARG 27 Cb 1.19 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.94 2ccx h ARG 27 CO 0.65 1.26 -0.31 0.00 2.80 0.00 0.00 179.97 184.37 2ccx h ALA 28 N 0.42 0.92 0.00 2.80 0.00 -1.84 -3.40 119.26 118.17 2ccx h ALA 28 Ca -0.10 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 2ccx h ALA 28 Cb 1.53 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 2ccx h ALA 28 CO 0.17 0.38 -0.33 0.00 0.00 0.00 0.00 179.25 179.48 2ccx n ALA 29 N -2.23 -1.93 -0.85 0.00 0.00 -1.26 -5.04 120.51 109.20 2ccx n ALA 29 Ca 0.01 -1.08 -0.27 0.00 0.00 0.00 0.00 53.44 52.10 2ccx n ALA 29 Cb 0.53 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 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 1.26 1.99 -0.01 0.00 -0.04 -1.13 -4.29 135.00 132.78 2ccx n PRO 30 Ca 0.05 -1.57 -0.22 0.00 -0.04 0.00 0.00 63.50 61.72 2ccx n PRO 30 Cb 0.67 -2.57 -0.13 0.00 -0.04 0.00 0.00 33.50 31.42 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 6.64 0.21 -4.90 0.54 4.05 -1.96 -3.48 114.93 116.04 2ccx h MET 31 Ca 0.48 -0.37 -0.60 0.00 -0.28 0.00 0.00 59.70 58.94 2ccx h MET 31 Cb 0.28 0.14 -0.34 0.00 -0.80 0.00 0.00 31.60 30.88 2ccx h MET 31 CO 1.57 1.18 -0.85 0.08 0.23 0.00 0.00 176.91 179.12 2ccx s VAL 32 N -2.51 1.59 -0.65 -5.77 1.01 -1.26 -5.07 120.40 107.74 2ccx s VAL 32 Ca -0.23 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2ccx s VAL 32 Cb 0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2ccx s VAL 32 CO 0.74 0.46 1.94 -2.16 0.00 0.00 0.00 175.10 176.07 2ccx s PRO 33 N 0.63 2.54 0.04 2.72 0.04 -1.26 -4.59 135.00 135.13 2ccx s PRO 33 Ca -0.14 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2ccx s PRO 33 Cb -0.16 -4.51 -0.25 0.00 0.04 0.00 0.00 34.50 29.61 2ccx s PRO 33 CO 0.04 -2.92 1.00 -0.24 0.04 0.00 0.00 177.00 174.93 2ccx h VAL 34 N 7.04 1.34 -3.45 -0.36 3.04 -1.77 -3.43 116.25 118.65 2ccx h VAL 34 Ca -0.20 -3.02 -0.63 0.00 -1.01 0.00 0.00 66.70 61.85 2ccx h VAL 34 Cb 1.15 2.77 -0.20 0.00 -2.01 0.00 0.00 31.29 33.00 2ccx h VAL 34 CO 1.21 0.83 -0.83 -0.54 -1.01 0.00 0.00 177.57 177.23 2ccx s LYS 35 N -2.65 1.41 -0.26 4.17 -0.14 -1.24 -5.01 119.74 116.02 2ccx s LYS 35 Ca -0.05 -1.43 -0.26 0.00 -1.36 0.00 0.00 55.97 52.88 2ccx s LYS 35 Cb 0.08 -1.72 0.12 0.00 -1.68 0.00 0.00 37.83 34.64 2ccx s LYS 35 CO 0.84 0.38 1.02 0.50 -0.76 0.00 0.00 175.35 177.33 2ccx s ARG 36 N -2.47 0.53 0.00 1.68 3.52 -1.26 -2.29 118.95 118.65 2ccx s ARG 36 Ca 0.17 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 2ccx s ARG 36 Cb -0.08 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2ccx s ARG 36 CO 0.08 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 2ccx n GLY 37 N 1.94 0.24 3.55 8.12 0.00 -1.22 -4.75 105.19 113.07 2ccx n GLY 37 Ca -0.12 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.55 0.10 -0.06 0.00 2.07 -1.25 -4.94 121.20 115.57 2ccx s ILE 39 Ca 0.23 -1.11 -0.23 0.00 -1.41 0.00 0.00 60.65 58.13 2ccx s ILE 39 Cb -0.09 -1.49 -0.18 0.00 0.13 0.00 0.00 42.46 40.83 2ccx s ILE 39 CO 0.14 -0.44 0.93 -2.24 -1.91 0.00 0.00 174.94 171.42 2ccx h ASP 40 N 2.57 -0.11 -3.11 4.50 2.03 -1.94 -2.55 116.42 117.81 2ccx h ASP 40 Ca -0.33 -0.48 -0.47 0.00 -0.73 0.00 0.00 57.03 55.03 2ccx h ASP 40 Cb 1.22 0.03 -0.14 0.00 -0.83 0.00 0.00 39.33 39.61 2ccx h ASP 40 CO 0.51 0.50 -0.70 0.54 -1.03 0.00 0.00 179.24 179.05 2ccx s VAL 41 N -3.39 1.66 -0.38 4.15 0.11 -1.26 -4.74 120.40 116.55 2ccx s VAL 41 Ca -0.14 -2.16 -0.43 0.00 -2.93 0.00 0.00 61.98 56.32 2ccx s VAL 41 Cb 0.00 -2.25 -0.17 0.00 -1.53 0.00 0.00 36.38 32.43 2ccx s VAL 41 CO 0.55 -0.44 1.75 0.00 -3.33 0.00 0.00 175.10 173.62 2ccx s PRO 43 N 3.67 1.40 -0.04 0.00 0.04 -1.26 -5.04 135.00 133.77 2ccx s PRO 43 Ca 1.03 1.00 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2ccx s PRO 43 Cb -1.24 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 2ccx s PRO 43 CO 0.71 -2.19 -0.25 0.15 0.04 0.00 0.00 177.00 175.46 2ccx s LYS 44 N -4.87 2.33 0.59 4.56 1.02 -1.26 -4.86 119.74 117.25 2ccx s LYS 44 Ca 0.63 -0.90 -0.17 0.00 0.02 0.00 0.00 55.97 55.55 2ccx s LYS 44 Cb -0.19 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 2ccx s LYS 44 CO 0.57 0.49 1.08 -1.54 -0.92 0.00 0.00 175.35 175.03 2ccx s SER 45 N -0.43 5.66 0.34 2.83 1.04 -1.26 -4.73 113.70 117.15 2ccx s SER 45 Ca 0.04 1.94 0.02 0.00 0.48 0.00 0.00 55.95 58.43 2ccx s SER 45 Cb -0.12 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 2ccx s SER 45 CO 0.01 -1.25 0.39 -0.94 0.98 0.00 0.00 173.24 172.42 2ccx s SER 46 N -2.47 1.23 0.08 7.02 1.04 0.63 -4.99 113.70 116.24 2ccx s SER 46 Ca 0.66 -1.60 -0.12 0.00 0.48 0.00 0.00 55.95 55.37 2ccx s SER 46 Cb -0.18 0.61 -0.24 0.00 0.10 0.00 0.00 66.02 66.31 2ccx s SER 46 CO 0.34 -1.19 1.17 0.25 0.98 0.00 0.00 173.24 174.79 2ccx h LEU 47 N 2.13 0.79 0.24 2.42 7.12 -2.03 -3.32 115.31 122.66 2ccx h LEU 47 Ca -0.27 -0.69 -0.01 0.00 0.13 0.00 0.00 57.88 57.04 2ccx h LEU 47 Cb 1.24 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2ccx h LEU 47 CO 0.38 1.50 -0.12 -0.07 -0.13 0.00 0.00 178.44 180.00 2ccx h LEU 48 N 0.28 -0.28 -8.75 2.25 3.38 -1.99 -3.41 115.31 106.80 2ccx h LEU 48 Ca -0.15 -0.20 -0.67 0.00 0.09 0.00 0.00 57.88 56.96 2ccx h LEU 48 Cb 1.80 0.07 -0.25 0.00 0.09 0.00 0.00 40.66 42.37 2ccx h LEU 48 CO 0.21 0.23 -0.75 -0.63 0.09 0.00 0.00 178.44 177.59 2ccx s ILE 49 N -3.27 3.16 -0.14 1.22 1.01 -1.25 -1.26 121.20 120.67 2ccx s ILE 49 Ca -0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 2ccx s ILE 49 Cb 0.01 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2ccx s ILE 49 CO 0.36 0.55 0.06 -0.75 0.00 0.00 0.00 174.94 175.16 2ccx s LYS 50 N -0.04 3.58 0.14 2.79 2.20 0.81 -0.27 119.74 128.96 2ccx s LYS 50 Ca -0.02 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2ccx s LYS 50 Cb -0.14 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2ccx s LYS 50 CO 0.04 0.50 -0.18 0.71 -0.36 0.00 0.00 175.35 176.05 2ccx s TYR 51 N -0.27 1.76 0.19 4.03 2.02 -1.26 -0.64 117.35 123.19 2ccx s TYR 51 Ca 0.08 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2ccx s TYR 51 Cb -0.12 -0.91 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 2ccx s TYR 51 CO 0.02 0.28 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.57 2ccx s MET 52 N -2.54 1.22 0.14 -0.62 -1.94 -0.98 -4.77 119.30 109.81 2ccx s MET 52 Ca 0.12 -1.57 -0.06 0.00 -1.71 0.00 0.00 55.69 52.47 2ccx s MET 52 Cb -0.07 -0.69 -0.02 0.00 2.01 0.00 0.00 34.83 36.06 2ccx s MET 52 CO 0.06 0.01 0.19 0.00 -0.01 0.00 0.00 175.02 175.26 2ccx s ASN 55 N -3.20 0.99 -0.09 0.00 4.22 -1.26 -2.55 114.94 113.05 2ccx s ASN 55 Ca 0.18 -1.83 -0.30 0.00 -2.14 0.00 0.00 52.86 48.76 2ccx s ASN 55 Cb -0.02 0.53 0.11 0.00 1.28 0.00 0.00 41.25 43.14 2ccx s ASN 55 CO 0.04 -0.23 0.88 0.42 -2.04 0.00 0.00 177.10 176.18 2ccx s THR 56 N 1.16 0.00 -0.31 0.54 -4.23 -1.26 -5.07 115.64 106.47 2ccx s THR 56 Ca 0.20 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 2ccx s THR 56 Cb -0.12 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2ccx s THR 56 CO -0.05 0.00 2.08 0.21 -0.54 0.00 0.00 174.62 176.32 2ccx s ASN 57 N -1.44 5.47 -1.46 3.99 2.47 -1.26 -2.22 114.94 120.49 2ccx s ASN 57 Ca -0.03 1.49 -0.09 0.00 0.42 0.00 0.00 52.86 54.65 2ccx s ASN 57 Cb -0.00 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.33 2ccx s ASN 57 CO 0.01 -2.01 0.80 0.29 -3.72 0.00 0.00 177.10 172.47 2ccx n LYS 58 N 8.70 -5.29 0.08 0.43 4.76 0.23 -4.87 118.16 122.20 2ccx n LYS 58 Ca 0.28 0.70 0.01 0.00 -2.87 0.00 0.00 58.31 56.42 2ccx n LYS 58 Cb 0.47 -5.58 0.33 0.00 -1.84 0.00 0.00 35.03 28.41 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03