#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt3 s LYS 2 N 0.00 3.84 -0.13 1.96 1.02 -1.26 0.62 119.74 125.79 1xt3 s LYS 2 Ca 0.00 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.43 1xt3 s LYS 2 Cb 0.00 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1xt3 s LYS 2 CO 0.00 -1.23 -0.20 0.00 -0.92 0.00 0.00 175.35 173.00 1xt3 s ASN 4 N 0.57 5.10 0.55 0.00 0.01 -1.26 -0.46 114.94 119.45 1xt3 s ASN 4 Ca -0.12 1.35 0.05 0.00 -0.71 0.00 0.00 52.86 53.43 1xt3 s ASN 4 Cb -0.16 -2.16 0.04 0.00 0.41 0.00 0.00 41.25 39.38 1xt3 s ASN 4 CO 0.04 -1.59 0.41 -0.54 -1.51 0.00 0.00 177.10 173.91 1xt3 s LYS 5 N -5.18 2.25 0.60 -0.60 1.02 -0.66 -3.98 119.74 113.19 1xt3 s LYS 5 Ca 0.59 -2.04 0.28 0.00 0.02 0.00 0.00 55.97 54.82 1xt3 s LYS 5 Cb -0.13 -2.10 1.33 0.00 -0.52 0.00 0.00 37.83 36.41 1xt3 s LYS 5 CO 0.54 -0.65 1.74 1.25 -0.92 0.00 0.00 175.35 177.30 1xt3 h LEU 6 N 0.72 0.00 -7.63 3.17 5.85 -1.89 -2.98 115.31 112.54 1xt3 h LEU 6 Ca -0.36 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.70 1xt3 h LEU 6 Cb 1.31 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.93 1xt3 h LEU 6 CO 0.57 0.00 -0.71 -0.69 -0.34 0.00 0.00 178.44 177.27 1xt3 s VAL 7 N -4.52 2.31 0.29 1.05 1.01 -1.26 -4.96 120.40 114.31 1xt3 s VAL 7 Ca -0.04 -2.49 0.15 0.00 0.00 0.00 0.00 61.98 59.61 1xt3 s VAL 7 Cb 0.14 -2.69 0.28 0.00 0.00 0.00 0.00 36.38 34.12 1xt3 s VAL 7 CO 0.50 -0.63 1.25 -2.65 0.00 0.00 0.00 175.10 173.56 1xt3 n PRO 8 N 4.08 -0.05 0.26 2.72 -0.02 -1.13 0.14 135.00 141.01 1xt3 n PRO 8 Ca 0.04 1.10 0.12 0.00 -2.02 0.00 0.00 63.50 62.74 1xt3 n PRO 8 Cb 0.40 -1.95 0.65 0.00 -0.02 0.00 0.00 33.50 32.59 1xt3 n PRO 8 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xt3 h LEU 9 N 0.00 0.00 -9.17 2.45 3.38 -1.95 -3.40 115.31 106.62 1xt3 h LEU 9 Ca 0.65 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.98 1xt3 h LEU 9 Cb 1.70 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.29 1xt3 h LEU 9 CO -0.62 0.00 -0.78 -0.36 0.09 0.00 0.00 178.44 176.77 1xt3 s PHE 10 N -3.79 2.44 -0.25 1.13 0.08 0.12 -5.07 117.98 112.64 1xt3 s PHE 10 Ca -0.03 -0.30 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 1xt3 s PHE 10 Cb 0.07 -1.19 0.07 0.00 -0.57 0.00 0.00 43.02 41.40 1xt3 s PHE 10 CO 0.22 0.52 0.64 1.52 -0.10 0.00 0.00 175.22 178.01 1xt3 s TYR 11 N -1.75 -0.92 -0.18 0.36 1.13 -1.26 -1.65 117.35 113.08 1xt3 s TYR 11 Ca 0.23 1.92 -0.00 0.00 -1.41 0.00 0.00 57.07 57.81 1xt3 s TYR 11 Cb -0.08 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1xt3 s TYR 11 CO 0.12 -0.46 -0.16 -1.59 -2.51 0.00 0.00 175.55 170.96 1xt3 s LYS 12 N 1.35 3.14 -0.61 -3.49 -2.85 0.39 -4.88 119.74 112.78 1xt3 s LYS 12 Ca -0.08 -0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 53.81 1xt3 s LYS 12 Cb -0.05 -2.67 -0.14 0.00 -2.06 0.00 0.00 37.83 32.91 1xt3 s LYS 12 CO -0.15 -0.13 2.43 2.41 0.10 0.00 0.00 175.35 180.01 1xt3 n THR 13 N 4.46 0.03 -1.50 3.79 -1.04 -1.26 -3.40 114.28 115.36 1xt3 n THR 13 Ca -0.20 -0.35 -0.60 0.00 -2.04 0.00 0.00 64.05 60.87 1xt3 n THR 13 Cb 0.51 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 67.30 1xt3 n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xt3 n PRO 15 N 6.39 -4.46 -0.89 0.00 -0.04 -1.26 -4.33 135.00 130.41 1xt3 n PRO 15 Ca 0.41 -1.29 -0.33 0.00 -0.04 0.00 0.00 63.50 62.25 1xt3 n PRO 15 Cb 0.04 -1.71 0.12 0.00 -0.04 0.00 0.00 33.50 31.91 1xt3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xt3 n ALA 16 N -5.52 -1.98 0.00 0.55 0.00 -1.26 -3.18 120.51 109.12 1xt3 n ALA 16 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xt3 n ALA 16 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1xt3 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xt3 n GLY 17 N 1.30 1.83 3.61 0.00 0.00 -1.26 -4.85 105.19 105.82 1xt3 n GLY 17 Ca 0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1xt3 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xt3 s LYS 18 N 0.00 3.44 -0.37 1.61 -0.14 -1.19 -4.86 119.74 118.24 1xt3 s LYS 18 Ca 0.00 1.71 0.09 0.00 -1.36 0.00 0.00 55.97 56.41 1xt3 s LYS 18 Cb 0.00 -4.20 0.44 0.00 -1.68 0.00 0.00 37.83 32.39 1xt3 s LYS 18 CO 0.00 -1.73 1.11 0.09 -0.76 0.00 0.00 175.35 174.06 1xt3 n ASN 19 N 10.03 4.10 -3.63 2.83 3.02 -1.26 -4.42 115.26 125.91 1xt3 n ASN 19 Ca 0.23 -3.47 -0.12 0.00 -0.03 0.00 0.00 54.58 51.20 1xt3 n ASN 19 Cb 0.46 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 1xt3 n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xt3 s LEU 20 N -3.52 -0.79 -0.14 3.41 1.43 -1.26 -4.71 118.68 113.09 1xt3 s LEU 20 Ca 0.44 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 1xt3 s LEU 20 Cb 0.41 2.43 -0.03 0.00 0.03 0.00 0.00 46.19 49.02 1xt3 s LEU 20 CO -0.08 -0.24 0.02 0.00 0.23 0.00 0.00 176.35 176.27 1xt3 s TYR 22 N -0.05 2.00 -0.04 0.00 -0.85 -1.22 -1.97 117.35 115.23 1xt3 s TYR 22 Ca 0.04 -0.75 0.03 0.00 -0.52 0.00 0.00 57.07 55.87 1xt3 s TYR 22 Cb -0.13 -1.20 0.01 0.00 0.38 0.00 0.00 41.96 41.02 1xt3 s TYR 22 CO 0.02 0.24 -0.10 0.21 -1.52 0.00 0.00 175.55 174.39 1xt3 s LYS 23 N -3.76 1.17 -0.21 -3.49 2.20 0.31 -3.13 119.74 112.84 1xt3 s LYS 23 Ca 0.31 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1xt3 s LYS 23 Cb 0.05 -1.06 0.04 0.00 -1.51 0.00 0.00 37.83 35.35 1xt3 s LYS 23 CO 0.13 0.10 -0.15 1.41 -0.36 0.00 0.00 175.35 176.48 1xt3 s MET 24 N 0.32 2.50 0.17 4.03 -2.45 0.17 -1.50 119.30 122.54 1xt3 s MET 24 Ca -0.06 -0.96 0.03 0.00 -1.25 0.00 0.00 55.69 53.45 1xt3 s MET 24 Cb -0.11 -2.59 -0.05 0.00 1.25 0.00 0.00 34.83 33.33 1xt3 s MET 24 CO 0.01 -0.37 -0.04 -0.59 1.05 0.00 0.00 175.02 175.09 1xt3 s PHE 25 N 1.27 1.28 -0.43 4.11 -0.12 -1.01 0.27 117.98 123.35 1xt3 s PHE 25 Ca -0.00 -0.90 -0.14 0.00 -0.05 0.00 0.00 56.93 55.83 1xt3 s PHE 25 Cb -0.16 -0.71 0.05 0.00 -0.63 0.00 0.00 43.02 41.57 1xt3 s PHE 25 CO -0.09 -0.07 0.32 1.41 -0.05 0.00 0.00 175.22 176.74 1xt3 s MET 26 N -3.84 2.92 0.00 1.99 -2.45 -1.25 -2.03 119.30 114.64 1xt3 s MET 26 Ca 0.22 -1.20 0.00 0.00 -1.25 0.00 0.00 55.69 53.45 1xt3 s MET 26 Cb 0.05 -3.99 0.01 0.00 1.25 0.00 0.00 34.83 32.15 1xt3 s MET 26 CO 0.03 -0.88 0.02 1.55 1.05 0.00 0.00 175.02 176.80 1xt3 n VAL 27 N 5.13 -0.01 0.19 10.11 3.14 -0.94 0.41 118.33 136.37 1xt3 n VAL 27 Ca -0.12 0.03 0.08 0.00 -2.96 0.00 0.00 64.34 61.37 1xt3 n VAL 27 Cb 0.45 -0.04 0.41 0.00 -1.06 0.00 0.00 33.84 33.60 1xt3 n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xt3 n ALA 28 N -3.31 1.19 -3.00 1.55 0.00 -1.26 -3.51 120.51 112.17 1xt3 n ALA 28 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 1xt3 n ALA 28 Cb 0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1xt3 n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xt3 n THR 29 N -2.02 -0.44 0.25 0.00 -2.24 1.36 -5.01 114.28 106.19 1xt3 n THR 29 Ca -0.00 -2.51 0.14 0.00 -2.27 0.00 0.00 64.05 59.41 1xt3 n THR 29 Cb 0.07 -0.22 0.82 0.00 -2.10 0.00 0.00 70.33 68.91 1xt3 n THR 29 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xt3 h PRO 30 N 4.50 0.00 0.00 -0.78 0.13 -1.64 -2.67 132.00 131.53 1xt3 h PRO 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1xt3 h PRO 30 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xt3 h PRO 30 CO 0.31 0.00 -0.59 1.17 -0.23 0.00 0.00 178.00 178.67 1xt3 n LYS 31 N -4.02 0.06 -2.84 0.86 3.00 -1.26 -4.44 118.16 109.52 1xt3 n LYS 31 Ca -0.01 0.01 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 1xt3 n LYS 31 Cb 0.16 -1.53 0.01 0.00 0.00 0.00 0.00 35.03 33.67 1xt3 n LYS 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xt3 n VAL 32 N -1.62 5.40 -1.54 3.15 0.31 -1.01 -5.04 118.33 117.99 1xt3 n VAL 32 Ca 0.05 -5.90 -0.41 0.00 -0.01 0.00 0.00 64.34 58.06 1xt3 n VAL 32 Cb 0.36 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1xt3 n VAL 32 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xt3 n PRO 33 N 0.48 0.95 0.00 5.55 -0.04 -1.26 -4.66 135.00 136.02 1xt3 n PRO 33 Ca 0.37 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 64.23 1xt3 n PRO 33 Cb 0.30 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1xt3 n PRO 33 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xt3 n VAL 34 N -0.71 0.00 -3.58 0.52 0.24 0.76 -4.94 118.33 110.63 1xt3 n VAL 34 Ca 0.11 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 1xt3 n VAL 34 Cb 0.39 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 1xt3 n VAL 34 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xt3 s LYS 35 N -1.95 0.96 -0.19 7.34 2.20 -0.86 -4.96 119.74 122.28 1xt3 s LYS 35 Ca 0.05 0.22 -0.22 0.00 -0.36 0.00 0.00 55.97 55.66 1xt3 s LYS 35 Cb 0.08 0.45 0.06 0.00 -1.51 0.00 0.00 37.83 36.91 1xt3 s LYS 35 CO 0.43 -0.28 0.59 1.03 -0.36 0.00 0.00 175.35 176.75 1xt3 s ARG 36 N -1.11 0.74 0.00 4.03 0.52 -1.26 0.43 118.95 122.31 1xt3 s ARG 36 Ca -0.11 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1xt3 s ARG 36 Cb -0.01 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1xt3 s ARG 36 CO 0.08 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1xt3 n GLY 37 N 2.42 -0.64 2.78 -3.53 0.00 -1.18 -4.13 105.19 100.90 1xt3 n GLY 37 Ca -0.15 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1xt3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt3 s ILE 39 N 1.89 0.97 0.00 0.00 1.10 -1.19 -4.97 121.20 119.00 1xt3 s ILE 39 Ca 0.03 -0.83 0.00 0.00 -0.51 0.00 0.00 60.65 59.34 1xt3 s ILE 39 Cb -0.14 -0.87 0.00 0.00 0.15 0.00 0.00 42.46 41.60 1xt3 s ILE 39 CO -0.07 0.04 0.00 -0.90 -2.11 0.00 0.00 174.94 171.91 1xt3 n ASP 40 N 2.16 0.00 -4.65 4.50 3.85 -1.26 -4.15 116.55 117.00 1xt3 n ASP 40 Ca -0.17 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.52 1xt3 n ASP 40 Cb 0.55 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.25 1xt3 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xt3 s VAL 41 N 0.00 5.11 -0.34 2.12 0.11 -1.26 -4.76 120.40 121.37 1xt3 s VAL 41 Ca 0.00 0.91 -0.36 0.00 -2.93 0.00 0.00 61.98 59.60 1xt3 s VAL 41 Cb 0.00 -3.83 -0.12 0.00 -1.53 0.00 0.00 36.38 30.91 1xt3 s VAL 41 CO 0.00 0.16 2.17 0.00 -3.33 0.00 0.00 175.10 174.10 1xt3 n PRO 43 N 8.06 1.19 -2.70 0.00 -0.02 -1.26 -4.90 135.00 135.37 1xt3 n PRO 43 Ca 0.41 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1xt3 n PRO 43 Cb 0.22 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1xt3 n PRO 43 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xt3 s LYS 44 N -1.48 4.29 0.00 -0.52 -2.85 -1.26 -4.70 119.74 113.22 1xt3 s LYS 44 Ca 0.59 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 1xt3 s LYS 44 Cb -0.73 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 31.43 1xt3 s LYS 44 CO 0.59 -0.53 0.00 0.43 0.10 0.00 0.00 175.35 175.94 1xt3 n SER 45 N 5.94 0.00 0.00 0.03 7.64 -1.26 -5.03 113.62 120.94 1xt3 n SER 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1xt3 n SER 45 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1xt3 n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xt3 n SER 46 N 0.00 0.00 0.03 6.43 3.41 -0.70 -5.01 113.62 117.78 1xt3 n SER 46 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1xt3 n SER 46 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1xt3 n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xt3 h LEU 47 N 0.00 0.56 0.00 1.04 5.85 -2.04 -3.35 115.31 117.37 1xt3 h LEU 47 Ca 0.00 -0.36 -0.25 0.00 0.84 0.00 0.00 57.88 58.12 1xt3 h LEU 47 Cb 0.00 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1xt3 h LEU 47 CO 0.00 1.10 -2.25 0.18 -0.34 0.00 0.00 178.44 177.13 1xt3 n LEU 48 N -3.87 0.00 -4.74 2.25 4.77 -1.26 -4.83 117.00 109.33 1xt3 n LEU 48 Ca -0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1xt3 n LEU 48 Cb 0.70 0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 42.04 1xt3 n LEU 48 CO 0.48 0.33 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.90 1xt3 s VAL 49 N -2.81 4.42 -0.01 4.08 1.01 -1.26 -2.23 120.40 123.59 1xt3 s VAL 49 Ca -0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1xt3 s VAL 49 Cb 0.08 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1xt3 s VAL 49 CO 0.85 0.28 0.03 -0.54 0.00 0.00 0.00 175.10 175.71 1xt3 s LYS 50 N -1.91 0.03 -0.05 2.72 -0.14 -0.86 -1.73 119.74 117.80 1xt3 s LYS 50 Ca 0.24 0.07 0.06 0.00 -1.36 0.00 0.00 55.97 54.97 1xt3 s LYS 50 Cb -0.12 -0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 36.01 1xt3 s LYS 50 CO 0.15 -0.03 -0.22 0.71 -0.76 0.00 0.00 175.35 175.20 1xt3 s TYR 51 N 0.16 2.17 -0.07 3.18 2.02 -1.26 -2.41 117.35 121.14 1xt3 s TYR 51 Ca -0.01 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.07 1xt3 s TYR 51 Cb -0.02 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1xt3 s TYR 51 CO -0.00 -0.19 -0.08 0.08 -1.57 0.00 0.00 175.55 173.78 1xt3 s VAL 52 N -0.11 0.90 0.26 0.71 1.01 -0.56 -4.92 120.40 117.69 1xt3 s VAL 52 Ca -0.03 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1xt3 s VAL 52 Cb -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1xt3 s VAL 52 CO 0.03 0.32 -0.10 0.00 0.00 0.00 0.00 175.10 175.34 1xt3 n ASN 55 N -0.30 1.52 -4.89 0.00 2.04 -1.26 -0.56 115.26 111.81 1xt3 n ASN 55 Ca -0.08 -3.32 -0.21 0.00 -0.44 0.00 0.00 54.58 50.53 1xt3 n ASN 55 Cb 0.61 -0.46 0.06 0.00 -2.53 0.00 0.00 39.78 37.47 1xt3 n ASN 55 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1xt3 s THR 56 N -2.29 2.42 -0.24 5.53 2.01 -1.26 -5.00 115.64 116.81 1xt3 s THR 56 Ca 0.36 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1xt3 s THR 56 Cb 0.36 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1xt3 s THR 56 CO -0.09 0.00 1.45 -1.81 -0.69 0.00 0.00 174.62 173.48 1xt3 s ASP 57 N -4.57 6.58 -1.20 3.53 1.11 -1.26 -3.61 116.67 117.26 1xt3 s ASP 57 Ca 0.61 1.50 -0.20 0.00 0.18 0.00 0.00 52.55 54.63 1xt3 s ASP 57 Cb -0.08 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1xt3 s ASP 57 CO 0.40 -1.10 0.71 0.54 1.18 0.00 0.00 175.17 176.89 1xt3 n ARG 58 N 7.36 -1.35 0.00 8.23 1.74 0.45 -4.92 116.66 128.17 1xt3 n ARG 58 Ca 0.16 0.37 -0.21 0.00 -0.77 0.00 0.00 57.85 57.40 1xt3 n ARG 58 Cb 0.46 -3.88 -0.14 0.00 -1.02 0.00 0.00 32.46 27.88 1xt3 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11