#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bun s LYS 2 N 0.00 2.12 0.31 2.89 1.02 -1.26 -5.11 119.74 119.70 1bun s LYS 2 Ca 0.00 -1.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.02 1bun s LYS 2 Cb 0.00 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 1bun s LYS 2 CO 0.00 0.17 1.12 0.50 -0.92 0.00 0.00 175.35 176.22 1bun s ARG 3 N -3.72 4.51 0.16 1.68 3.52 -1.26 -4.96 118.95 118.89 1bun s ARG 3 Ca 0.34 1.81 -0.32 0.00 -0.13 0.00 0.00 55.73 57.44 1bun s ARG 3 Cb -0.01 -3.06 -0.11 0.00 -1.56 0.00 0.00 34.95 30.21 1bun s ARG 3 CO 0.20 0.09 1.73 -1.58 -0.81 0.00 0.00 175.30 174.92 1bun s HIS 4 N -1.24 2.66 -0.47 5.12 5.65 -0.20 -4.86 115.29 121.94 1bun s HIS 4 Ca 0.47 0.27 0.16 0.00 0.25 0.00 0.00 55.06 56.22 1bun s HIS 4 Cb -0.31 -4.11 0.83 0.00 -1.18 0.00 0.00 32.58 27.81 1bun s HIS 4 CO 0.40 -4.31 1.49 -0.35 -0.65 0.00 0.00 174.74 171.32 1bun n PRO 5 N 4.64 0.10 -0.07 2.88 -0.04 -1.26 -2.80 135.00 138.46 1bun n PRO 5 Ca 0.16 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 64.26 1bun n PRO 5 Cb 0.37 -1.81 0.11 0.00 -0.04 0.00 0.00 33.50 32.13 1bun n PRO 5 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bun n ASP 6 N -2.03 2.63 0.28 3.54 8.00 -1.26 -4.68 116.55 123.03 1bun n ASP 6 Ca -0.00 -1.77 0.09 0.00 0.71 0.00 0.00 54.79 53.82 1bun n ASP 6 Cb 0.06 -0.09 0.48 0.00 -0.02 0.00 0.00 41.12 41.55 1bun n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bun n ASP 8 N -2.52 2.64 -4.94 0.00 8.00 -1.26 -4.45 116.55 114.02 1bun n ASP 8 Ca -0.01 -2.51 -0.24 0.00 0.71 0.00 0.00 54.79 52.74 1bun n ASP 8 Cb 0.52 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1bun n ASP 8 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1bun s LYS 9 N -1.89 3.47 0.38 -1.24 1.02 -0.18 -4.92 119.74 116.37 1bun s LYS 9 Ca 0.22 -0.27 -0.25 0.00 0.02 0.00 0.00 55.97 55.69 1bun s LYS 9 Cb 0.17 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 1bun s LYS 9 CO 0.06 0.07 1.07 -1.25 -0.92 0.00 0.00 175.35 174.38 1bun s PRO 10 N -4.39 4.22 0.30 -1.68 0.04 -1.26 -4.93 135.00 127.30 1bun s PRO 10 Ca 0.41 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1bun s PRO 10 Cb -0.10 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 1bun s PRO 10 CO 0.37 -0.11 1.52 -1.25 0.04 0.00 0.00 177.00 177.57 1bun s PRO 11 N -2.30 4.17 -0.75 0.56 0.04 -1.26 -4.94 135.00 130.52 1bun s PRO 11 Ca 0.56 2.48 -0.26 0.00 0.04 0.00 0.00 61.00 63.81 1bun s PRO 11 Cb -0.25 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1bun s PRO 11 CO 0.31 -0.53 1.25 0.34 0.04 0.00 0.00 177.00 178.41 1bun s ASP 12 N 0.30 6.19 0.00 6.66 -1.08 -1.26 -4.86 116.67 122.61 1bun s ASP 12 Ca 0.60 -0.60 0.21 0.00 -0.52 0.00 0.00 52.55 52.24 1bun s ASP 12 Cb -0.45 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.19 1bun s ASP 12 CO 0.49 -1.76 1.53 0.35 0.52 0.00 0.00 175.17 176.31 1bun n THR 13 N 6.34 0.23 -0.90 1.71 -2.24 -1.26 -4.09 114.28 114.06 1bun n THR 13 Ca 0.04 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1bun n THR 13 Cb 0.49 0.39 0.15 0.00 -2.10 0.00 0.00 70.33 69.26 1bun n THR 13 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bun s LYS 14 N -1.77 1.18 -0.27 -0.78 1.02 -1.26 -4.58 119.74 113.27 1bun s LYS 14 Ca 0.32 1.28 -0.09 0.00 0.02 0.00 0.00 55.97 57.50 1bun s LYS 14 Cb 0.17 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 1bun s LYS 14 CO 0.26 -2.43 0.12 0.42 -0.92 0.00 0.00 175.35 172.80 1bun s ILE 15 N -2.74 4.60 0.00 2.17 1.01 -1.26 -3.76 121.20 121.22 1bun s ILE 15 Ca 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1bun s ILE 15 Cb -0.21 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1bun s ILE 15 CO 0.58 0.25 0.61 0.00 0.00 0.00 0.00 174.94 176.38 1bun n GLN 17 N -0.15 0.36 -2.36 0.00 7.27 -0.85 -4.88 117.38 116.77 1bun n GLN 17 Ca 0.00 -0.93 -0.38 0.00 0.07 0.00 0.00 57.00 55.77 1bun n GLN 17 Cb 0.38 1.33 -0.02 0.00 2.41 0.00 0.00 30.24 34.33 1bun n GLN 17 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1bun s THR 18 N -2.12 3.30 0.43 1.69 -4.23 -1.26 -4.85 115.64 108.60 1bun s THR 18 Ca 0.20 1.05 -0.24 0.00 -1.18 0.00 0.00 61.69 61.52 1bun s THR 18 Cb -0.02 -3.56 -0.08 0.00 1.34 0.00 0.00 72.50 70.18 1bun s THR 18 CO 0.02 0.05 1.14 -0.69 -0.54 0.00 0.00 174.62 174.61 1bun s VAL 19 N -1.50 3.27 0.09 2.29 1.01 -1.26 -4.77 120.40 119.52 1bun s VAL 19 Ca 0.58 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.56 1bun s VAL 19 Cb -0.28 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1bun s VAL 19 CO 0.35 0.01 -0.07 0.54 0.00 0.00 0.00 175.10 175.93 1bun s VAL 20 N -1.55 0.70 -0.19 2.92 0.11 -0.22 -4.98 120.40 117.19 1bun s VAL 20 Ca 0.61 -1.68 -0.22 0.00 -2.93 0.00 0.00 61.98 57.76 1bun s VAL 20 Cb -0.27 -1.37 -0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1bun s VAL 20 CO 0.34 -0.70 0.67 -0.13 -3.33 0.00 0.00 175.10 171.94 1bun s ARG 21 N -3.12 4.22 0.27 1.54 0.52 -1.26 -0.63 118.95 120.49 1bun s ARG 21 Ca 0.06 0.69 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 1bun s ARG 21 Cb 0.00 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1bun s ARG 21 CO -0.03 -0.26 0.19 0.00 0.02 0.00 0.00 175.30 175.22 1bun s ALA 22 N 1.98 1.59 0.13 2.13 0.00 -0.98 -4.90 121.76 121.72 1bun s ALA 22 Ca 0.30 -1.85 0.10 0.00 0.00 0.00 0.00 51.96 50.52 1bun s ALA 22 Cb -0.16 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1bun s ALA 22 CO 0.11 -0.60 -0.25 -0.06 0.00 0.00 0.00 175.76 174.96 1bun s PHE 23 N -3.78 2.16 0.15 0.00 0.40 -0.59 -0.76 117.98 115.56 1bun s PHE 23 Ca 0.39 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1bun s PHE 23 Cb 0.05 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1bun s PHE 23 CO 0.19 0.32 -0.04 1.52 0.70 0.00 0.00 175.22 177.91 1bun s TYR 24 N -1.19 1.14 -0.09 0.36 1.13 -0.70 0.12 117.35 118.12 1bun s TYR 24 Ca 0.13 -0.92 -0.17 0.00 -1.41 0.00 0.00 57.07 54.70 1bun s TYR 24 Cb -0.10 -0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 40.08 1bun s TYR 24 CO 0.06 -0.12 0.43 -0.47 -2.51 0.00 0.00 175.55 172.95 1bun s TYR 25 N -3.56 3.56 -0.37 -3.49 5.04 -1.26 -0.90 117.35 116.36 1bun s TYR 25 Ca 0.19 0.88 -0.08 0.00 -2.44 0.00 0.00 57.07 55.61 1bun s TYR 25 Cb 0.05 -2.46 0.05 0.00 0.35 0.00 0.00 41.96 39.96 1bun s TYR 25 CO 0.01 0.30 0.18 0.21 -1.34 0.00 0.00 175.55 174.91 1bun s LYS 26 N 0.15 2.63 0.26 4.97 2.20 0.14 -4.73 119.74 125.35 1bun s LYS 26 Ca 0.24 -1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1bun s LYS 26 Cb -0.15 -3.62 0.39 0.00 -1.51 0.00 0.00 37.83 32.93 1bun s LYS 26 CO 0.10 -0.78 1.86 -1.00 -0.36 0.00 0.00 175.35 175.17 1bun h PRO 27 N 8.32 1.03 -1.03 4.03 0.13 -1.84 -2.00 132.00 140.64 1bun h PRO 27 Ca -0.23 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1bun h PRO 27 Cb 1.09 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1bun h PRO 27 CO 0.67 0.68 0.00 0.43 -0.23 0.00 0.00 178.00 179.55 1bun n SER 28 N -4.57 1.74 0.00 1.44 7.64 -1.26 -2.72 113.62 115.89 1bun n SER 28 Ca 0.14 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1bun n SER 28 Cb 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1bun n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bun n ALA 29 N 0.38 0.00 -4.45 -0.43 0.00 -0.93 -5.02 120.51 110.06 1bun n ALA 29 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1bun n ALA 29 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 1bun n ALA 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bun n LYS 30 N 0.00 -1.41 -4.03 0.00 4.76 -0.80 -4.89 118.16 111.79 1bun n LYS 30 Ca 0.00 0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 1bun n LYS 30 Cb 0.24 -4.77 -0.08 0.00 -1.84 0.00 0.00 35.03 28.58 1bun n LYS 30 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1bun s ARG 31 N -7.16 1.01 -0.12 1.97 0.52 -1.21 -4.99 118.95 108.96 1bun s ARG 31 Ca 0.76 -1.26 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 1bun s ARG 31 Cb -0.44 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 1bun s ARG 31 CO 1.00 -0.33 0.11 0.00 0.02 0.00 0.00 175.30 176.11 1bun s VAL 33 N -0.81 1.32 0.30 0.00 -7.23 -0.08 -4.91 120.40 108.98 1bun s VAL 33 Ca 0.14 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1bun s VAL 33 Cb -0.12 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 1bun s VAL 33 CO 0.03 -0.47 1.07 -1.58 -0.31 0.00 0.00 175.10 173.84 1bun s GLN 34 N -2.86 4.58 0.19 4.82 0.74 -1.26 -1.71 119.66 124.16 1bun s GLN 34 Ca 0.10 1.71 -0.10 0.00 0.05 0.00 0.00 55.36 57.12 1bun s GLN 34 Cb -0.04 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 30.98 1bun s GLN 34 CO 0.03 0.19 0.35 -0.59 -0.55 0.00 0.00 175.29 174.72 1bun s PHE 35 N -1.25 0.38 -0.64 1.67 -0.71 0.06 -4.95 117.98 112.53 1bun s PHE 35 Ca 0.46 -0.73 -0.23 0.00 -1.04 0.00 0.00 56.93 55.39 1bun s PHE 35 Cb -0.29 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.61 1bun s PHE 35 CO 0.38 -0.81 0.97 1.03 -1.34 0.00 0.00 175.22 175.45 1bun s ARG 36 N -3.98 3.15 -0.06 1.99 0.52 -1.26 -2.32 118.95 116.98 1bun s ARG 36 Ca 0.19 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 1bun s ARG 36 Cb 0.02 -4.20 -0.04 0.00 0.52 0.00 0.00 34.95 31.25 1bun s ARG 36 CO 0.03 -1.78 0.67 -0.47 0.02 0.00 0.00 175.30 173.78 1bun s TYR 37 N 4.12 3.58 -2.25 -0.53 5.04 0.20 -4.68 117.35 122.83 1bun s TYR 37 Ca 0.24 1.22 0.22 0.00 -2.44 0.00 0.00 57.07 56.31 1bun s TYR 37 Cb -0.16 -2.77 0.45 0.00 0.35 0.00 0.00 41.96 39.83 1bun s TYR 37 CO 0.12 0.12 1.40 0.41 -1.34 0.00 0.00 175.55 176.26 1bun n GLY 38 N 3.05 1.87 2.13 8.97 0.00 -1.25 -1.06 105.19 118.91 1bun n GLY 38 Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1bun n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bun n GLY 39 N 1.44 0.56 0.02 -0.02 0.00 -1.26 -1.69 105.19 104.25 1bun n GLY 39 Ca 0.19 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1bun n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bun n ASN 41 N -1.71 -1.11 0.12 0.00 5.15 -1.26 -4.80 115.26 111.65 1bun n ASN 41 Ca 0.05 -1.18 0.11 0.00 -0.60 0.00 0.00 54.58 52.96 1bun n ASN 41 Cb 0.37 -1.99 0.48 0.00 -0.53 0.00 0.00 39.78 38.10 1bun n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bun n GLY 42 N -1.70 -1.09 3.60 8.20 0.00 -1.26 -4.75 105.19 108.20 1bun n GLY 42 Ca -0.07 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1bun n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bun s ASN 43 N -4.00 -0.25 -0.14 1.61 2.20 -1.26 -5.06 114.94 108.03 1bun s ASN 43 Ca 0.02 -0.14 0.10 0.00 -0.94 0.00 0.00 52.86 51.91 1bun s ASN 43 Cb 0.08 0.37 0.54 0.00 -2.00 0.00 0.00 41.25 40.23 1bun s ASN 43 CO 0.30 -0.64 1.34 0.61 -2.94 0.00 0.00 177.10 175.78 1bun n GLY 44 N -0.32 2.34 3.18 0.45 0.00 -1.26 -4.68 105.19 104.90 1bun n GLY 44 Ca -0.07 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1bun n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bun n ASN 45 N 0.49 4.83 -3.40 1.61 2.85 -1.26 -4.71 115.26 115.67 1bun n ASN 45 Ca 0.18 -2.97 0.02 0.00 -0.11 0.00 0.00 54.58 51.70 1bun n ASN 45 Cb 0.83 -1.61 -0.04 0.00 1.24 0.00 0.00 39.78 40.20 1bun n ASN 45 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1bun s HIS 46 N 2.26 -0.76 0.05 1.20 -3.43 -1.25 -4.57 115.29 108.79 1bun s HIS 46 Ca 0.46 1.26 0.04 0.00 -0.80 0.00 0.00 55.06 56.01 1bun s HIS 46 Cb 0.06 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.62 1bun s HIS 46 CO 0.00 -0.38 -0.12 -0.06 -2.00 0.00 0.00 174.74 172.18 1bun s PHE 47 N 2.54 1.05 0.53 0.38 0.40 0.12 -4.91 117.98 118.09 1bun s PHE 47 Ca -0.02 -0.42 0.31 0.00 -0.60 0.00 0.00 56.93 56.20 1bun s PHE 47 Cb -0.07 -0.61 1.47 0.00 0.51 0.00 0.00 43.02 44.32 1bun s PHE 47 CO -0.17 0.01 1.88 0.87 0.70 0.00 0.00 175.22 178.51 1bun h LYS 48 N 4.62 0.02 -3.48 0.44 1.57 -1.90 -1.56 116.57 116.27 1bun h LYS 48 Ca -0.38 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1bun h LYS 48 Cb 1.19 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 1bun h LYS 48 CO 0.42 0.02 -0.08 -1.54 -0.57 0.00 0.00 179.45 177.70 1bun s SER 49 N -5.59 -0.16 0.14 0.86 1.04 -1.26 -4.75 113.70 103.97 1bun s SER 49 Ca -0.05 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 55.57 1bun s SER 49 Cb 0.22 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1bun s SER 49 CO 0.78 -1.00 1.67 -0.78 0.98 0.00 0.00 173.24 174.89 1bun h ASP 50 N 2.31 -0.39 -0.22 7.02 3.58 -1.95 -0.60 116.42 126.16 1bun h ASP 50 Ca -0.30 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.30 1bun h ASP 50 Cb 1.25 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 42.46 1bun h ASP 50 CO 0.41 -0.15 -0.13 -0.74 -2.88 0.00 0.00 179.24 175.74 1bun h HIS 51 N -0.10 -0.33 -0.78 0.28 2.76 -1.99 0.34 115.15 115.33 1bun h HIS 51 Ca 0.12 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1bun h HIS 51 Cb 0.28 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 1bun h HIS 51 CO -0.28 -0.20 0.52 1.25 -1.30 0.00 0.00 177.93 177.92 1bun h LEU 52 N -0.12 0.88 -0.35 0.26 5.85 -1.93 -1.21 115.31 118.69 1bun h LEU 52 Ca 0.12 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1bun h LEU 52 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1bun h LEU 52 CO -0.29 0.63 0.01 0.00 -0.34 0.00 0.00 178.44 178.45 1bun h ARG 54 N 0.43 -0.11 -0.88 0.00 3.08 -0.19 0.18 114.38 116.89 1bun h ARG 54 Ca 0.10 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.39 1bun h ARG 54 Cb 0.43 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 30.35 1bun h ARG 54 CO 0.02 0.03 0.07 0.00 -1.07 0.00 0.00 179.97 179.02 1bun h GLU 56 N 0.09 0.00 0.00 0.00 4.39 -0.82 -3.42 114.58 114.82 1bun h GLU 56 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1bun h GLU 56 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1bun h GLU 56 CO -0.77 0.44 -0.60 0.00 -1.16 0.00 0.00 179.01 176.92 1bun n LEU 58 N -1.09 3.35 -4.65 0.00 7.94 0.17 -4.91 117.00 117.81 1bun n LEU 58 Ca 0.00 1.04 -0.43 0.00 -1.11 0.00 0.00 56.01 55.51 1bun n LEU 58 Cb 0.00 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.49 1bun n LEU 58 CO 0.00 -0.14 0.84 -1.61 -1.11 0.00 0.00 177.39 175.37 1bun s GLU 59 N 1.98 4.21 -1.47 1.96 2.02 -1.26 -4.97 118.70 121.17 1bun s GLU 59 Ca 0.83 1.20 -0.12 0.00 0.02 0.00 0.00 54.97 56.89 1bun s GLU 59 Cb -0.65 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 29.96 1bun s GLU 59 CO 0.41 -0.62 2.35 0.66 0.02 0.00 0.00 175.26 178.07 1bun n TYR 60 N 6.28 3.22 -0.81 1.61 4.01 -1.26 -5.20 117.16 125.01 1bun n TYR 60 Ca 0.10 -2.98 0.00 0.00 -0.16 0.00 0.00 57.90 54.86 1bun n TYR 60 Cb 0.47 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.04 1bun n TYR 60 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27