#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntz n LEU 2 N 0.00 1.00 0.00 -0.89 4.77 -1.26 -3.78 117.00 116.84 1ntz n LEU 2 Ca 0.00 -0.50 0.12 0.00 -0.03 0.00 0.00 56.01 55.60 1ntz n LEU 2 Cb 0.00 -0.36 0.72 0.00 -2.33 0.00 0.00 43.42 41.45 1ntz n LEU 2 CO 0.00 0.21 0.90 0.35 -1.33 0.00 0.00 177.39 177.52 1ntz n THR 3 N -0.08 0.01 -0.01 -5.08 -2.24 -1.26 -2.70 114.28 102.93 1ntz n THR 3 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1ntz n THR 3 Cb 0.23 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 67.90 1ntz n THR 3 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ntz h ARG 4 N 0.00 0.59 -0.90 -0.78 2.43 -2.07 -3.23 114.38 110.42 1ntz h ARG 4 Ca 0.00 -0.34 -0.28 0.00 -0.81 0.00 0.00 59.98 58.55 1ntz h ARG 4 Cb 0.01 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.42 1ntz h ARG 4 CO 0.00 0.94 0.36 1.19 -1.51 0.00 0.00 179.97 180.95 1ntz n PHE 5 N -3.99 2.17 -3.95 2.20 3.01 -1.10 -4.81 117.46 111.00 1ntz n PHE 5 Ca -0.03 -1.25 -0.33 0.00 1.01 0.00 0.00 57.45 56.85 1ntz n PHE 5 Cb 0.57 -0.68 -0.14 0.00 -0.01 0.00 0.00 39.48 39.22 1ntz n PHE 5 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ntz s LEU 6 N -2.45 4.50 0.00 4.37 1.43 -1.22 -4.84 118.68 120.47 1ntz s LEU 6 Ca 0.44 -1.84 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1ntz s LEU 6 Cb 0.36 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1ntz s LEU 6 CO 0.10 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1ntz n GLY 7 N 4.43 -0.22 0.26 -3.19 0.00 -1.26 -5.03 105.19 100.18 1ntz n GLY 7 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.10 1ntz n GLY 7 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ntz h PRO 8 N 0.00 0.46 -0.33 1.61 0.11 -1.98 -1.12 132.00 130.74 1ntz h PRO 8 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1ntz h PRO 8 Cb 0.00 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1ntz h PRO 8 CO 0.00 0.30 0.15 -0.09 -0.21 0.00 0.00 178.00 178.15 1ntz h ARG 9 N 0.47 0.49 -0.19 1.05 2.43 -1.98 0.43 114.38 117.09 1ntz h ARG 9 Ca 0.36 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ntz h ARG 9 Cb 0.47 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1ntz h ARG 9 CO -0.33 0.46 -0.09 1.88 -1.51 0.00 0.00 179.97 180.38 1ntz h TYR 10 N 0.40 0.30 -0.09 2.20 -1.99 -1.79 0.53 116.97 116.53 1ntz h TYR 10 Ca 0.11 -0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.67 1ntz h TYR 10 Cb 0.14 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1ntz h TYR 10 CO -0.01 0.38 -0.56 -0.09 -0.00 0.00 0.00 178.16 177.88 1ntz h ARG 11 N 0.28 0.27 -0.04 4.88 2.43 -0.71 -0.72 114.38 120.77 1ntz h ARG 11 Ca 0.06 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.84 1ntz h ARG 11 Cb 0.33 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ntz h ARG 11 CO 0.02 0.76 -0.87 1.96 -1.51 0.00 0.00 179.97 180.33 1ntz h GLN 12 N 0.21 0.45 -0.12 0.20 4.20 0.45 -3.09 115.11 117.42 1ntz h GLN 12 Ca 0.00 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1ntz h GLN 12 Cb 1.05 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1ntz h GLN 12 CO 0.09 1.09 0.06 -0.07 -0.67 0.00 0.00 178.83 179.33 1ntz h LEU 13 N 0.28 0.14 -0.76 1.46 3.38 0.33 -2.54 115.31 117.60 1ntz h LEU 13 Ca -0.06 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ntz h LEU 13 Cb 1.49 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1ntz h LEU 13 CO 0.15 0.19 0.43 0.00 0.09 0.00 0.00 178.44 179.30 1ntz h ALA 14 N 0.96 1.06 -0.45 1.53 0.00 -1.16 -2.65 119.26 118.55 1ntz h ALA 14 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ntz h ALA 14 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ntz h ALA 14 CO -0.01 0.08 -0.17 0.00 0.00 0.00 0.00 179.25 179.16 1ntz h ARG 15 N 0.75 0.91 0.00 0.00 3.08 -1.46 -2.61 114.38 115.05 1ntz h ARG 15 Ca 0.36 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ntz h ARG 15 Cb 0.28 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ntz h ARG 15 CO -0.22 1.03 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.75 1ntz h ASN 16 N 0.75 0.00 -0.16 7.04 -0.26 -1.11 -2.47 115.58 119.35 1ntz h ASN 16 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1ntz h ASN 16 Cb 0.73 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1ntz h ASN 16 CO 0.06 0.05 0.00 0.79 -1.06 0.00 0.00 177.43 177.26 1ntz n TRP 17 N -3.98 0.19 0.10 1.19 7.02 -1.06 -4.61 117.44 116.29 1ntz n TRP 17 Ca -0.03 -0.09 -0.12 0.00 -1.02 0.00 0.00 57.50 56.24 1ntz n TRP 17 Cb 0.14 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.95 1ntz n TRP 17 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1ntz h VAL 18 N 4.63 0.81 -0.99 -0.99 2.07 -1.06 0.34 116.25 121.06 1ntz h VAL 18 Ca 0.00 -0.85 0.19 0.00 0.82 0.00 0.00 66.70 66.86 1ntz h VAL 18 Cb 1.00 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 1ntz h VAL 18 CO 0.00 0.17 0.61 -0.65 0.02 0.00 0.00 177.57 177.72 1ntz h PRO 19 N -0.77 0.70 -0.05 1.57 0.11 -1.82 0.33 132.00 132.08 1ntz h PRO 19 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1ntz h PRO 19 Cb 0.51 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1ntz h PRO 19 CO 0.05 0.46 -0.01 1.15 -0.21 0.00 0.00 178.00 179.44 1ntz h THR 20 N 0.72 1.30 -0.04 -1.15 2.02 -1.82 -0.12 112.91 113.81 1ntz h THR 20 Ca 0.55 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1ntz h THR 20 Cb 0.92 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1ntz h THR 20 CO -0.33 0.25 -0.18 0.00 0.37 0.00 0.00 175.52 175.63 1ntz h ALA 21 N 0.65 1.62 -0.05 6.16 0.00 0.65 -0.25 119.26 128.03 1ntz h ALA 21 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ntz h ALA 21 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ntz h ALA 21 CO 0.01 0.28 -0.09 0.37 0.00 0.00 0.00 179.25 179.82 1ntz h GLN 22 N 0.06 0.15 0.00 0.00 4.15 -0.35 -2.84 115.11 116.28 1ntz h GLN 22 Ca 0.01 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1ntz h GLN 22 Cb 0.37 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1ntz h GLN 22 CO 0.03 0.67 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.26 1ntz h LEU 23 N -0.35 0.00 -0.86 -2.39 4.07 -0.55 -1.12 115.31 114.12 1ntz h LEU 23 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1ntz h LEU 23 Cb 0.66 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 1ntz h LEU 23 CO 0.02 0.26 -0.48 -0.50 -1.08 0.00 0.00 178.44 176.65 1ntz h TRP 24 N 0.00 0.25 -0.00 1.13 -0.00 -1.10 -2.19 115.95 114.04 1ntz h TRP 24 Ca -0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 58.89 58.64 1ntz h TRP 24 Cb 0.58 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.67 1ntz h TRP 24 CO 0.00 0.66 -0.78 0.78 -0.00 0.00 0.00 178.44 179.09 1ntz h GLY 25 N 1.34 0.08 0.96 1.49 0.00 -0.97 -0.79 103.07 105.18 1ntz h GLY 25 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1ntz h GLY 25 CO 0.07 0.11 -0.22 0.00 0.00 0.00 0.00 176.54 176.51 1ntz h ALA 26 N 1.16 0.45 0.02 3.60 0.00 -1.27 -0.65 119.26 122.58 1ntz h ALA 26 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ntz h ALA 26 Cb 1.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ntz h ALA 26 CO 0.11 0.41 -0.09 0.28 0.00 0.00 0.00 179.25 179.96 1ntz h VAL 27 N 0.47 0.77 -0.94 0.00 2.07 -1.29 -1.87 116.25 115.46 1ntz h VAL 27 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1ntz h VAL 27 Cb 0.77 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1ntz h VAL 27 CO 0.06 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.49 1ntz h GLY 28 N -0.17 1.36 0.49 2.17 0.00 -1.04 -0.26 103.07 105.62 1ntz h GLY 28 Ca 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1ntz h GLY 28 CO -0.08 0.42 -0.23 0.00 0.00 0.00 0.00 176.54 176.64 1ntz h ALA 29 N 1.38 -0.87 -0.94 3.60 0.00 -0.89 0.16 119.26 121.69 1ntz h ALA 29 Ca 0.37 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1ntz h ALA 29 Cb -0.03 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1ntz h ALA 29 CO -0.11 -0.83 0.54 0.28 0.00 0.00 0.00 179.25 179.13 1ntz h VAL 30 N -0.86 0.74 -0.89 0.00 2.07 -1.38 0.39 116.25 116.31 1ntz h VAL 30 Ca -0.07 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ntz h VAL 30 Cb 0.50 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1ntz h VAL 30 CO 0.11 0.13 0.54 1.23 0.02 0.00 0.00 177.57 179.60 1ntz h GLY 31 N 0.73 1.29 0.40 2.17 0.00 -1.00 0.22 103.07 106.88 1ntz h GLY 31 Ca 0.52 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ntz h GLY 31 CO -0.36 0.52 -0.01 -2.00 0.00 0.00 0.00 176.54 174.69 1ntz h LEU 32 N 1.23 -0.03 -0.02 3.11 5.85 0.13 -2.84 115.31 122.74 1ntz h LEU 32 Ca 0.32 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1ntz h LEU 32 Cb -0.05 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1ntz h LEU 32 CO -0.06 0.57 -0.46 0.58 -0.34 0.00 0.00 178.44 178.73 1ntz h VAL 33 N -0.63 0.10 -0.11 1.05 2.07 -0.06 -2.04 116.25 116.63 1ntz h VAL 33 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ntz h VAL 33 Cb 0.59 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1ntz h VAL 33 CO 0.00 0.00 -0.06 -0.25 0.02 0.00 0.00 177.57 177.28 1ntz h TRP 34 N -0.60 0.16 0.00 1.57 7.01 -0.69 0.42 115.95 123.82 1ntz h TRP 34 Ca 0.04 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 1ntz h TRP 34 Cb 0.68 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 1ntz h TRP 34 CO -0.46 0.23 -0.53 0.00 -2.79 0.00 0.00 178.44 174.89 1ntz h ALA 35 N 1.79 0.66 -0.01 2.65 0.00 -1.20 -3.29 119.26 119.86 1ntz h ALA 35 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ntz h ALA 35 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ntz h ALA 35 CO 0.01 0.65 -0.39 0.25 0.00 0.00 0.00 179.25 179.77 1ntz n THR 36 N -3.23 0.00 -3.07 0.00 -2.24 -0.81 -5.00 114.28 99.94 1ntz n THR 36 Ca 0.02 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1ntz n THR 36 Cb 0.74 1.11 0.07 0.00 -2.10 0.00 0.00 70.33 70.15 1ntz n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ntz n ASP 37 N -0.55 -2.44 -4.55 3.42 8.00 0.03 -4.82 116.55 115.64 1ntz n ASP 37 Ca 0.05 -0.49 -0.25 0.00 0.71 0.00 0.00 54.79 54.81 1ntz n ASP 37 Cb 0.26 -4.08 -0.07 0.00 -0.02 0.00 0.00 41.12 37.21 1ntz n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1ntz n TRP 38 N -3.35 1.15 -0.25 1.24 -0.00 -0.57 -4.83 117.44 110.83 1ntz n TRP 38 Ca -0.20 0.06 -0.13 0.00 -0.00 0.00 0.00 57.50 57.23 1ntz n TRP 38 Cb 0.63 -2.46 -0.10 0.00 -0.00 0.00 0.00 31.31 29.38 1ntz n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ntz h ARG 39 N 15.34 -0.23 -0.22 5.87 3.08 -1.91 0.78 114.38 137.09 1ntz h ARG 39 Ca -0.10 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1ntz h ARG 39 Cb 1.14 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 1ntz h ARG 39 CO 1.14 -0.16 -0.34 1.25 -1.07 0.00 0.00 179.97 180.80 1ntz h LEU 40 N -0.24 -1.07 -0.22 3.04 5.85 -2.02 -1.92 115.31 118.73 1ntz h LEU 40 Ca 0.11 0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.79 1ntz h LEU 40 Cb 0.52 0.47 0.01 0.00 0.37 0.00 0.00 40.66 42.03 1ntz h LEU 40 CO -0.73 -0.35 -0.64 0.40 -0.34 0.00 0.00 178.44 176.78 1ntz h ILE 41 N -0.36 1.28 -0.33 4.05 2.04 -1.82 -3.34 117.51 119.03 1ntz h ILE 41 Ca 0.12 -1.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.10 1ntz h ILE 41 Cb 0.55 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1ntz h ILE 41 CO -0.42 0.59 0.00 -0.07 0.00 0.00 0.00 178.15 178.25 1ntz h LEU 42 N 0.59 0.57 -0.47 1.44 3.38 0.76 -3.22 115.31 118.36 1ntz h LEU 42 Ca -0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ntz h LEU 42 Cb 1.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1ntz h LEU 42 CO 0.14 0.73 0.43 0.47 0.09 0.00 0.00 178.44 180.30 1ntz n ASP 43 N -4.54 0.18 0.11 -0.43 10.43 -0.74 -0.29 116.55 121.27 1ntz n ASP 43 Ca -0.02 0.40 0.11 0.00 2.57 0.00 0.00 54.79 57.85 1ntz n ASP 43 Cb 0.26 -0.30 0.01 0.00 1.84 0.00 0.00 41.12 42.93 1ntz n ASP 43 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1ntz h TRP 44 N 0.00 0.00 -3.02 1.24 2.91 -1.78 -3.46 115.95 111.83 1ntz h TRP 44 Ca 0.00 0.00 -0.55 0.00 1.13 0.00 0.00 58.89 59.47 1ntz h TRP 44 Cb 0.86 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 1ntz h TRP 44 CO 0.00 0.01 0.75 0.08 -1.03 0.00 0.00 178.44 178.25 1ntz s VAL 45 N -3.35 4.09 0.00 2.65 1.01 0.60 -4.98 120.40 120.42 1ntz s VAL 45 Ca -0.00 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ntz s VAL 45 Cb 0.09 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ntz s VAL 45 CO 0.78 -0.01 0.89 -2.65 0.00 0.00 0.00 175.10 174.11 1ntz n PRO 46 N 5.30 0.00 -2.13 2.72 -0.02 -1.26 -4.48 135.00 135.14 1ntz n PRO 46 Ca 0.12 0.89 -0.27 0.00 -2.02 0.00 0.00 63.50 62.21 1ntz n PRO 46 Cb 0.45 -1.38 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 1ntz n PRO 46 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ntz s TYR 47 N -2.61 2.16 0.00 6.00 5.04 -1.26 -4.37 117.35 122.32 1ntz s TYR 47 Ca 0.00 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1ntz s TYR 47 Cb 0.00 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.75 1ntz s TYR 47 CO 0.00 -2.00 0.00 -0.89 -1.34 0.00 0.00 175.55 171.32 1ntz n ILE 48 N -3.29 0.00 -1.88 3.14 5.41 -1.26 -4.95 119.36 116.53 1ntz n ILE 48 Ca 0.12 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.52 1ntz n ILE 48 Cb 0.60 -0.48 -0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1ntz n ILE 48 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ntz n ASN 49 N 1.93 7.20 -1.03 4.38 3.02 -1.26 -4.65 115.26 124.85 1ntz n ASN 49 Ca 0.00 -3.50 -0.02 0.00 -0.03 0.00 0.00 54.58 51.03 1ntz n ASN 49 Cb 0.27 -1.18 0.07 0.00 -0.61 0.00 0.00 39.78 38.33 1ntz n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ntz n GLY 50 N 0.33 2.17 2.21 7.41 0.00 -1.26 -3.11 105.19 112.94 1ntz n GLY 50 Ca 0.52 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 1ntz n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ntz n LYS 51 N 0.13 2.23 0.00 1.61 5.02 -1.26 -5.08 118.16 120.82 1ntz n LYS 51 Ca 0.10 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1ntz n LYS 51 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1ntz n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ntz n PHE 52 N -0.57 0.00 0.00 2.13 -0.00 -1.18 -5.16 117.46 112.68 1ntz n PHE 52 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1ntz n PHE 52 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.37 1ntz n PHE 52 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39