#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g11 n THR 2 N 0.00 1.08 -3.81 6.66 5.66 -1.26 -5.10 114.28 117.51 1g11 n THR 2 Ca 0.00 -2.85 -0.09 0.00 -3.05 0.00 0.00 64.05 58.06 1g11 n THR 2 Cb 0.00 1.05 0.02 0.00 -1.55 0.00 0.00 70.33 69.85 1g11 n THR 2 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1g11 s LEU 3 N -3.54 0.03 0.30 1.09 2.34 -1.26 -5.19 118.68 112.44 1g11 s LEU 3 Ca 0.26 -1.16 -0.06 0.00 0.06 0.00 0.00 54.13 53.24 1g11 s LEU 3 Cb 0.38 2.82 -0.00 0.00 -0.56 0.00 0.00 46.19 48.83 1g11 s LEU 3 CO -0.01 -1.69 0.44 0.00 -1.06 0.00 0.00 176.35 174.03 1g11 s ALA 4 N -2.32 0.47 0.25 1.48 0.00 -1.26 -5.19 121.76 115.20 1g11 s ALA 4 Ca 0.16 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1g11 s ALA 4 Cb -0.05 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.21 1g11 s ALA 4 CO 0.12 -0.79 0.43 -0.51 0.00 0.00 0.00 175.76 175.00 1g11 s ASP 5 N -3.15 0.08 0.00 0.00 1.01 -1.26 -5.18 116.67 108.16 1g11 s ASP 5 Ca 0.29 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.47 1g11 s ASP 5 Cb 0.00 0.57 0.00 0.00 1.01 0.00 0.00 42.92 44.50 1g11 s ASP 5 CO 0.15 -1.12 0.00 1.67 0.21 0.00 0.00 175.17 176.08 1g11 n GLN 6 N -0.39 0.00 -2.73 8.23 7.27 -1.26 -5.12 117.38 123.38 1g11 n GLN 6 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.01 1g11 n GLN 6 Cb 0.62 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.31 1g11 n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g11 n ALA 7 N -3.00 -2.26 -3.00 1.69 0.00 -1.26 -5.09 120.51 107.59 1g11 n ALA 7 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1g11 n ALA 7 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1g11 n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1g11 n LEU 8 N 2.22 0.00 0.00 0.00 -0.00 -1.26 -4.89 117.00 113.07 1g11 n LEU 8 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1g11 n LEU 8 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1g11 n LEU 8 CO -0.03 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 178.93 1g11 n HIS 9 N 0.00 0.00 -2.70 1.47 -0.00 -1.26 -2.60 115.22 110.13 1g11 n HIS 9 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1g11 n HIS 9 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.08 1g11 n HIS 9 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1g11 n ASN 10 N 1.74 -1.83 -0.05 0.26 6.94 -1.21 -1.33 115.26 119.78 1g11 n ASN 10 Ca 0.00 -2.50 -0.05 0.00 -0.02 0.00 0.00 54.58 52.01 1g11 n ASN 10 Cb 0.00 1.17 -0.02 0.00 -2.36 0.00 0.00 39.78 38.57 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1g11 n ASN 11 N -0.39 1.25 -3.27 0.53 4.13 -1.07 -4.97 115.26 111.47 1g11 n ASN 11 Ca -0.06 0.31 -0.07 0.00 1.68 0.00 0.00 54.58 56.45 1g11 n ASN 11 Cb 0.79 -0.69 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 1g11 n ASN 11 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1g11 s ASN 12 N -5.16 -0.07 -0.15 6.41 2.20 -1.26 -4.57 114.94 112.34 1g11 s ASN 12 Ca -0.16 -0.89 -0.05 0.00 -0.94 0.00 0.00 52.86 50.82 1g11 s ASN 12 Cb 0.02 0.73 -0.03 0.00 -2.00 0.00 0.00 41.25 39.97 1g11 s ASN 12 CO 0.24 -1.43 0.02 0.68 -2.94 0.00 0.00 177.10 173.66 1g11 s VAL 13 N -2.70 4.40 -0.45 3.54 -7.23 -0.99 -4.60 120.40 112.37 1g11 s VAL 13 Ca 0.15 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1g11 s VAL 13 Cb -0.05 -2.93 0.22 0.00 0.56 0.00 0.00 36.38 34.19 1g11 s VAL 13 CO 0.09 0.51 0.50 0.61 -0.31 0.00 0.00 175.10 176.50 1g11 n GLY 14 N 3.17 3.01 3.72 2.32 0.00 -1.26 -2.17 105.19 113.98 1g11 n GLY 14 Ca -0.17 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1g11 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g11 s PRO 15 N -1.05 4.51 -0.02 1.61 0.04 -1.24 -3.02 135.00 135.82 1g11 s PRO 15 Ca 0.35 1.72 0.06 0.00 0.04 0.00 0.00 61.00 63.17 1g11 s PRO 15 Cb 0.12 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1g11 s PRO 15 CO -0.12 -0.11 -0.22 0.42 0.04 0.00 0.00 177.00 177.01 1g11 s ILE 16 N 0.52 1.73 0.14 0.56 -1.09 -0.58 -2.35 121.20 120.13 1g11 s ILE 16 Ca 0.54 -0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 57.91 1g11 s ILE 16 Cb -0.29 -1.44 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 1g11 s ILE 16 CO 0.32 0.49 0.34 0.27 -1.23 0.00 0.00 174.94 175.12 1g11 s ILE 17 N -0.44 0.08 -0.85 2.92 -4.36 -0.74 -1.33 121.20 116.48 1g11 s ILE 17 Ca 0.06 -0.95 -0.02 0.00 -0.26 0.00 0.00 60.65 59.48 1g11 s ILE 17 Cb -0.09 -1.43 0.33 0.00 1.25 0.00 0.00 42.46 42.52 1g11 s ILE 17 CO -0.00 -0.37 2.06 -2.11 0.24 0.00 0.00 174.94 174.76 1g11 n ARG 18 N -0.20 3.02 0.00 0.37 1.85 -1.26 -0.41 116.66 120.03 1g11 n ARG 18 Ca -0.13 -3.57 0.00 0.00 -1.00 0.00 0.00 57.85 53.16 1g11 n ARG 18 Cb 0.63 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g11 n ALA 19 N -0.39 0.00 0.00 2.89 0.00 -1.21 -4.73 120.51 117.08 1g11 n ALA 19 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1g11 n ALA 19 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1g11 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g11 n GLY 20 N 0.00 0.97 2.04 0.00 0.00 -1.02 -4.10 105.19 103.08 1g11 n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g11 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g11 n ASP 21 N 0.00 -0.74 -0.61 1.61 2.03 -1.26 -4.98 116.55 112.60 1g11 n ASP 21 Ca 0.00 0.29 -0.00 0.00 0.52 0.00 0.00 54.79 55.60 1g11 n ASP 21 Cb 0.00 0.85 -0.00 0.00 -0.72 0.00 0.00 41.12 41.25 1g11 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1g11 n LEU 22 N -2.93 0.02 0.02 -2.67 4.77 -1.26 -4.84 117.00 110.10 1g11 n LEU 22 Ca 0.00 -1.14 0.13 0.00 -0.03 0.00 0.00 56.01 54.97 1g11 n LEU 22 Cb 0.00 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 1g11 n LEU 22 CO 0.00 0.62 0.92 0.52 -1.33 0.00 0.00 177.39 178.12 1g11 n VAL 23 N 0.04 0.24 0.09 4.08 0.31 -1.26 -2.01 118.33 119.82 1g11 n VAL 23 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.26 1g11 n VAL 23 Cb 0.66 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1g11 n VAL 23 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g11 h GLU 24 N 0.00 -0.31 0.00 5.55 5.08 -1.98 -0.75 114.58 122.17 1g11 h GLU 24 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1g11 h GLU 24 Cb 0.49 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1g11 h GLU 24 CO 0.00 -0.13 0.00 -0.35 -1.00 0.00 0.00 179.01 177.53 1g11 n PRO 25 N -4.98 0.17 0.06 2.33 -0.04 -1.24 -1.51 135.00 129.79 1g11 n PRO 25 Ca -0.05 0.27 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 1g11 n PRO 25 Cb 0.16 -1.75 -0.15 0.00 -0.04 0.00 0.00 33.50 31.73 1g11 n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1g11 h VAL 26 N 0.00 0.99 -0.26 0.52 2.07 -1.48 -2.82 116.25 115.27 1g11 h VAL 26 Ca 0.00 -2.50 -0.18 0.00 0.82 0.00 0.00 66.70 64.84 1g11 h VAL 26 Cb 0.51 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1g11 h VAL 26 CO 0.00 0.82 -0.54 -0.29 0.02 0.00 0.00 177.57 177.58 1g11 h ILE 27 N 0.01 1.28 -0.81 4.57 6.09 -1.01 0.37 117.51 128.00 1g11 h ILE 27 Ca -0.33 -1.73 -0.04 0.00 -1.37 0.00 0.00 64.86 61.39 1g11 h ILE 27 Cb 2.02 1.72 -0.04 0.00 0.47 0.00 0.00 36.82 40.99 1g11 h ILE 27 CO 0.16 0.56 0.36 -0.08 -3.07 0.00 0.00 178.15 176.08 1g11 h GLU 28 N 0.58 1.19 0.02 2.19 4.22 -1.41 0.45 114.58 121.83 1g11 h GLU 28 Ca 0.00 -0.19 -0.21 0.00 0.08 0.00 0.00 59.36 59.04 1g11 h GLU 28 Cb 1.15 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1g11 h GLU 28 CO 0.12 0.94 -0.99 1.15 -2.18 0.00 0.00 179.01 178.04 1g11 h THR 29 N 1.17 1.62 0.00 0.32 2.02 -1.41 -2.37 112.91 114.26 1g11 h THR 29 Ca 0.28 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1g11 h THR 29 Cb 0.17 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1g11 h THR 29 CO -0.03 0.90 0.00 0.00 0.37 0.00 0.00 175.52 176.76 1g11 h ALA 30 N 0.95 1.00 0.15 6.16 0.00 0.21 -2.87 119.26 124.85 1g11 h ALA 30 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1g11 h ALA 30 Cb 1.71 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1g11 h ALA 30 CO 0.14 0.00 -1.76 0.93 0.00 0.00 0.00 179.25 178.56 1g11 h GLU 31 N 0.00 0.32 -0.37 0.00 4.39 -0.01 -3.32 114.58 115.59 1g11 h GLU 31 Ca 0.00 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 1g11 h GLU 31 Cb 0.70 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1g11 h GLU 31 CO 0.00 1.26 0.06 -0.84 -1.16 0.00 0.00 179.01 178.32 1g11 h ILE 32 N -0.01 1.18 -0.95 3.13 3.07 -1.41 -1.71 117.51 120.81 1g11 h ILE 32 Ca -0.37 -0.69 0.04 0.00 1.55 0.00 0.00 64.86 65.40 1g11 h ILE 32 Cb 2.00 0.85 -0.06 0.00 -0.27 0.00 0.00 36.82 39.34 1g11 h ILE 32 CO 0.12 0.24 0.62 -0.78 -1.05 0.00 0.00 178.15 177.30 1g11 h ASP 33 N 0.53 1.02 -1.50 2.16 3.58 -1.63 -3.43 116.42 117.15 1g11 h ASP 33 Ca 0.12 -0.01 -0.47 0.00 0.42 0.00 0.00 57.03 57.09 1g11 h ASP 33 Cb 0.26 -0.23 0.05 0.00 1.72 0.00 0.00 39.33 41.13 1g11 h ASP 33 CO 0.00 0.68 -0.02 0.20 -2.88 0.00 0.00 179.24 177.23 1g11 s ASN 34 N -6.04 4.81 -0.01 2.28 0.02 -0.64 -4.99 114.94 110.36 1g11 s ASN 34 Ca -0.12 -0.58 -0.21 0.00 -1.02 0.00 0.00 52.86 50.93 1g11 s ASN 34 Cb 0.19 0.06 -0.22 0.00 0.02 0.00 0.00 41.25 41.30 1g11 s ASN 34 CO 0.81 -1.53 1.11 1.55 0.02 0.00 0.00 177.10 179.05 1g11 h PRO 35 N -0.11 0.33 -4.83 -0.60 0.13 -1.83 -3.47 132.00 121.62 1g11 h PRO 35 Ca -0.34 -0.32 -0.07 0.00 -0.87 0.00 0.00 66.00 64.40 1g11 h PRO 35 Cb 1.28 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1g11 h PRO 35 CO 0.41 1.00 -0.10 0.41 -0.23 0.00 0.00 178.00 179.49 1g11 n GLY 36 N 0.95 -0.43 1.75 1.56 0.00 -1.26 -4.68 105.19 103.07 1g11 n GLY 36 Ca -0.10 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1g11 n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1g11 n LYS 37 N -2.40 1.75 0.00 1.61 2.85 -1.26 -3.90 118.16 116.80 1g11 n LYS 37 Ca 0.01 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 1g11 n LYS 37 Cb 0.44 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1g11 n GLU 38 N -0.21 0.00 -3.96 -1.58 0.28 -1.26 -5.16 120.64 108.74 1g11 n GLU 38 Ca 0.33 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.24 1g11 n GLU 38 Cb 0.97 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.76 1g11 n GLU 38 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1g11 s ILE 39 N 0.00 0.15 0.13 3.84 1.09 -1.25 -4.59 121.20 120.56 1g11 s ILE 39 Ca 0.00 -1.45 0.06 0.00 -1.10 0.00 0.00 60.65 58.16 1g11 s ILE 39 Cb 0.00 -1.55 -0.04 0.00 -1.06 0.00 0.00 42.46 39.82 1g11 s ILE 39 CO 0.00 -0.66 -0.15 -0.89 -0.10 0.00 0.00 174.94 173.14 1g11 s THR 40 N -3.91 1.42 0.31 2.92 2.01 -0.70 -5.03 115.64 112.65 1g11 s THR 40 Ca 0.10 -1.76 0.10 0.00 0.31 0.00 0.00 61.69 60.44 1g11 s THR 40 Cb 0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1g11 s THR 40 CO -0.08 -0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.70 1g11 s VAL 41 N -2.13 2.70 -0.39 3.82 1.01 -1.26 0.30 120.40 124.45 1g11 s VAL 41 Ca 0.10 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 59.99 1g11 s VAL 41 Cb -0.05 -2.64 0.16 0.00 0.00 0.00 0.00 36.38 33.84 1g11 s VAL 41 CO 0.04 -0.29 0.31 -1.61 0.00 0.00 0.00 175.10 173.54 1g11 s GLU 42 N -3.63 0.74 -0.24 2.72 0.41 -0.48 -4.86 118.70 113.35 1g11 s GLU 42 Ca 0.32 -1.63 -0.15 0.00 -0.41 0.00 0.00 54.97 53.10 1g11 s GLU 42 Cb -0.02 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.05 1g11 s GLU 42 CO 0.18 -1.30 0.39 -0.51 -0.49 0.00 0.00 175.26 173.53 1g11 s ASP 43 N 0.63 6.34 -0.19 -0.19 1.01 -1.26 -2.18 116.67 120.83 1g11 s ASP 43 Ca 0.25 0.40 -0.07 0.00 0.71 0.00 0.00 52.55 53.84 1g11 s ASP 43 Cb -0.09 -2.22 -0.21 0.00 1.01 0.00 0.00 42.92 41.41 1g11 s ASP 43 CO -0.09 -0.15 0.09 -1.14 0.21 0.00 0.00 175.17 174.08 1g11 n ARG 44 N 5.01 0.68 0.00 8.23 3.00 -1.26 -5.05 116.66 127.28 1g11 n ARG 44 Ca -0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1g11 n ARG 44 Cb 0.51 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1g11 n ARG 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1g11 n ARG 45 N -3.63 0.00 -0.06 -0.14 5.12 -1.26 -4.97 116.66 111.72 1g11 n ARG 45 Ca -0.39 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.51 1g11 n ARG 45 Cb 0.96 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 32.25 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1g11 h ALA 46 N 0.00 0.00 -1.94 7.54 0.00 -1.97 -3.44 119.26 119.45 1g11 h ALA 46 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 54.91 54.20 1g11 h ALA 46 Cb 0.00 0.28 0.18 0.00 0.00 0.00 0.00 17.79 18.26 1g11 h ALA 46 CO 0.00 0.28 0.30 0.71 0.00 0.00 0.00 179.25 180.54 1g11 s TYR 47 N -1.93 0.86 -0.12 0.00 1.51 -1.26 -2.42 117.35 113.99 1g11 s TYR 47 Ca -0.08 0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 56.24 1g11 s TYR 47 Cb 0.01 -3.91 0.05 0.00 -0.11 0.00 0.00 41.96 38.00 1g11 s TYR 47 CO 0.12 -3.33 0.27 0.08 -1.11 0.00 0.00 175.55 171.57 1g11 s VAL 48 N -3.55 -0.20 0.16 0.71 1.01 0.45 -4.10 120.40 114.88 1g11 s VAL 48 Ca 0.74 0.20 0.08 0.00 0.00 0.00 0.00 61.98 63.00 1g11 s VAL 48 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1g11 s VAL 48 CO 0.55 0.08 -0.17 -0.60 0.00 0.00 0.00 175.10 174.95 1g11 s ARG 49 N 1.75 1.25 0.08 2.72 3.52 -0.92 -1.80 118.95 125.55 1g11 s ARG 49 Ca -0.05 -1.40 0.04 0.00 -0.13 0.00 0.00 55.73 54.18 1g11 s ARG 49 Cb -0.11 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.99 1g11 s ARG 49 CO -0.09 0.25 -0.11 0.42 -0.81 0.00 0.00 175.30 174.96 1g11 s ILE 50 N -2.14 0.93 -0.54 4.11 1.01 -0.99 -1.38 121.20 122.19 1g11 s ILE 50 Ca 0.16 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.37 1g11 s ILE 50 Cb -0.05 -1.19 0.17 0.00 0.01 0.00 0.00 42.46 41.41 1g11 s ILE 50 CO 0.06 -0.45 0.42 0.00 0.00 0.00 0.00 174.94 174.97 1g11 n ALA 51 N 0.85 3.12 -1.98 9.38 0.00 0.15 -3.63 120.51 128.39 1g11 n ALA 51 Ca -0.18 -3.76 -0.23 0.00 0.00 0.00 0.00 53.44 49.27 1g11 n ALA 51 Cb 0.56 -0.87 0.08 0.00 0.00 0.00 0.00 19.45 19.22 1g11 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g11 s ALA 52 N -0.70 3.77 0.00 0.00 0.00 -0.92 -1.71 121.76 122.20 1g11 s ALA 52 Ca 0.30 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1g11 s ALA 52 Cb 0.01 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1g11 s ALA 52 CO -0.18 -1.19 0.00 0.39 0.00 0.00 0.00 175.76 174.78 1g11 n GLU 53 N -2.66 0.94 0.00 0.00 -0.58 -1.26 -2.34 120.64 114.74 1g11 n GLU 53 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1g11 n GLU 53 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g11 n GLY 54 N 5.00 -1.53 3.31 0.62 0.00 -1.26 -2.87 105.19 108.45 1g11 n GLY 54 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1g11 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g11 s GLU 55 N 0.00 1.45 0.16 1.61 1.03 -1.26 -0.07 118.70 121.63 1g11 s GLU 55 Ca 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 54.97 53.90 1g11 s GLU 55 Cb 0.00 -1.68 -0.00 0.00 -0.80 0.00 0.00 34.13 31.65 1g11 s GLU 55 CO 0.00 0.42 0.00 1.28 -1.33 0.00 0.00 175.26 175.63 1g11 n LEU 56 N 1.51 0.00 -3.80 1.83 7.99 -0.11 -4.97 117.00 119.45 1g11 n LEU 56 Ca -0.18 -1.03 -0.13 0.00 -0.01 0.00 0.00 56.01 54.67 1g11 n LEU 56 Cb 0.53 0.12 -0.09 0.00 -0.11 0.00 0.00 43.42 43.87 1g11 n LEU 56 CO 0.23 -0.15 -0.05 -0.51 -1.51 0.00 0.00 177.39 175.40 1g11 s ILE 57 N -1.61 0.06 -0.14 -0.08 1.10 -1.26 -2.80 121.20 116.47 1g11 s ILE 57 Ca 0.00 -0.51 -0.07 0.00 -0.51 0.00 0.00 60.65 59.56 1g11 s ILE 57 Cb 0.00 -0.54 0.05 0.00 0.15 0.00 0.00 42.46 42.13 1g11 s ILE 57 CO 0.00 -0.28 0.32 -0.76 -2.11 0.00 0.00 174.94 172.11 1g11 s LEU 58 N -1.23 0.16 -0.04 8.50 1.43 0.17 -4.75 118.68 122.92 1g11 s LEU 58 Ca -0.13 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 1g11 s LEU 58 Cb -0.06 1.02 0.17 0.00 0.03 0.00 0.00 46.19 47.35 1g11 s LEU 58 CO 0.03 -0.18 1.12 0.35 0.23 0.00 0.00 176.35 177.90 1g11 n THR 59 N 4.28 1.27 -0.18 5.49 -2.24 -1.26 -0.29 114.28 121.35 1g11 n THR 59 Ca -0.24 -1.31 -0.11 0.00 -2.27 0.00 0.00 64.05 60.12 1g11 n THR 59 Cb 0.54 0.30 0.07 0.00 -2.10 0.00 0.00 70.33 69.14 1g11 n THR 59 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g11 n ARG 60 N -0.43 1.58 0.23 -0.78 3.00 -1.26 -4.35 116.66 114.64 1g11 n ARG 60 Ca 0.07 -1.31 0.18 0.00 -0.01 0.00 0.00 57.85 56.78 1g11 n ARG 60 Cb 0.42 -1.51 0.86 0.00 0.00 0.00 0.00 32.46 32.22 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1g11 h LYS 61 N 0.68 0.00 -0.08 5.56 -0.00 -1.85 0.30 116.57 121.17 1g11 h LYS 61 Ca 0.27 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.73 1g11 h LYS 61 Cb 1.58 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.81 1g11 h LYS 61 CO 0.52 0.00 -0.74 0.00 -0.00 0.00 0.00 179.45 179.23 1g11 h THR 62 N 0.00 1.37 -0.25 0.07 1.03 -1.92 0.32 112.91 113.53 1g11 h THR 62 Ca 0.07 -2.14 -0.10 0.00 -0.01 0.00 0.00 66.41 64.24 1g11 h THR 62 Cb 0.49 2.11 -0.00 0.00 -1.07 0.00 0.00 68.15 69.68 1g11 h THR 62 CO -0.00 0.65 -0.22 0.25 -0.01 0.00 0.00 175.52 176.19 1g11 h LEU 63 N 0.29 0.63 -0.45 0.00 5.85 -0.79 0.25 115.31 121.09 1g11 h LEU 63 Ca -0.03 -0.46 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1g11 h LEU 63 Cb 1.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1g11 h LEU 63 CO 0.13 0.96 -0.69 -0.33 -0.34 0.00 0.00 178.44 178.17 1g11 h GLU 64 N 0.30 0.40 -0.30 1.25 5.08 -1.31 -2.52 114.58 117.48 1g11 h GLU 64 Ca 0.04 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1g11 h GLU 64 Cb 0.77 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1g11 h GLU 64 CO 0.06 0.94 -0.48 0.93 -1.00 0.00 0.00 179.01 179.46 1g11 h GLU 65 N 0.28 0.82 -0.20 2.33 4.39 -0.27 -3.18 114.58 118.75 1g11 h GLU 65 Ca -0.02 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1g11 h GLU 65 Cb 1.25 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1g11 h GLU 65 CO 0.12 1.11 0.10 1.96 -1.16 0.00 0.00 179.01 181.14 1g11 h GLN 66 N 0.65 0.29 -1.80 2.33 4.20 -0.45 0.74 115.11 121.06 1g11 h GLN 66 Ca 0.03 -0.04 0.54 0.00 0.06 0.00 0.00 58.65 59.24 1g11 h GLN 66 Cb 1.07 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.70 1g11 h GLN 66 CO 0.11 0.30 1.27 1.28 -0.67 0.00 0.00 178.83 181.11 1g11 n LEU 67 N -4.87 0.06 -2.78 1.46 4.77 -0.96 -2.38 117.00 112.30 1g11 n LEU 67 Ca -0.04 1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.93 1g11 n LEU 67 Cb 0.09 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.70 1g11 n LEU 67 CO 0.35 -1.12 0.22 0.61 -1.33 0.00 0.00 177.39 176.11 1g11 n GLY 68 N -1.80 0.49 0.28 -0.72 0.00 -0.77 -4.99 105.19 97.67 1g11 n GLY 68 Ca 0.43 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1g11 n GLY 68 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g11 h ARG 69 N 3.59 0.48 -3.39 1.61 3.08 0.84 -2.88 114.38 117.72 1g11 h ARG 69 Ca -0.11 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.39 1g11 h ARG 69 Cb 1.05 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.01 1g11 h ARG 69 CO 0.27 0.32 3.07 -0.35 -1.07 0.00 0.00 179.97 182.21 1g11 n PRO 70 N -4.96 2.67 -0.04 0.04 -0.04 -1.26 -4.72 135.00 126.69 1g11 n PRO 70 Ca 0.14 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1g11 n PRO 70 Cb 0.39 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1g11 n PRO 70 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1g11 n PHE 71 N 4.32 -0.04 -3.07 0.54 -1.74 -1.09 -5.19 117.46 111.20 1g11 n PHE 71 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.47 1g11 n PHE 71 Cb 0.20 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.20 1g11 n PHE 71 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1g11 n ASN 72 N -0.04 0.00 0.11 5.98 3.02 -1.26 -5.02 115.26 118.04 1g11 n ASN 72 Ca 0.00 -0.52 0.13 0.00 -0.03 0.00 0.00 54.58 54.16 1g11 n ASN 72 Cb 0.00 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 39.59 1g11 n ASN 72 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1g11 n MET 73 N 0.00 0.26 -0.11 3.52 0.00 -1.26 -3.50 117.12 116.02 1g11 n MET 73 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 57.70 57.88 1g11 n MET 73 Cb 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 33.22 31.41 1g11 n MET 73 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1g11 h GLN 74 N 0.00 0.36 -0.65 3.17 4.15 -1.99 -0.79 115.11 119.37 1g11 h GLN 74 Ca 0.00 -0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.57 1g11 h GLN 74 Cb 0.68 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 1g11 h GLN 74 CO 0.00 0.24 0.46 0.93 -1.93 0.00 0.00 178.83 178.53 1g11 h GLU 75 N 0.37 0.11 -0.00 1.69 5.08 -1.96 1.27 114.58 121.14 1g11 h GLU 75 Ca 0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1g11 h GLU 75 Cb 0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1g11 h GLU 75 CO -0.11 0.07 0.00 -0.07 -1.00 0.00 0.00 179.01 177.91 1g11 h LEU 76 N 0.11 0.00 -0.01 1.33 3.38 -1.33 1.81 115.31 120.61 1g11 h LEU 76 Ca 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1g11 h LEU 76 Cb 1.08 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1g11 h LEU 76 CO -0.04 0.15 0.00 1.05 0.09 0.00 0.00 178.44 179.70 1g11 h GLU 77 N -0.15 0.00 0.00 1.13 4.11 -0.78 -3.37 114.58 115.53 1g11 h GLU 77 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1g11 h GLU 77 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1g11 h GLU 77 CO -0.00 0.00 -0.03 0.82 0.07 0.00 0.00 179.01 179.87 1g11 h ILE 78 N 0.00 0.00 -0.40 -1.06 5.03 0.19 -3.40 117.51 117.87 1g11 h ILE 78 Ca 0.00 -0.10 -0.47 0.00 -0.12 0.00 0.00 64.86 64.16 1g11 h ILE 78 Cb 0.92 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 1g11 h ILE 78 CO 0.00 0.00 1.62 0.59 -0.68 0.00 0.00 178.15 179.68 1g11 n ASN 79 N -2.41 3.26 -3.97 1.72 3.02 0.61 -4.81 115.26 112.69 1g11 n ASN 79 Ca -0.00 -2.73 -0.09 0.00 -0.03 0.00 0.00 54.58 51.72 1g11 n ASN 79 Cb 0.02 -1.59 -0.08 0.00 -0.61 0.00 0.00 39.78 37.52 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1g11 s LEU 80 N 7.35 1.24 0.03 3.41 0.05 -1.26 -4.74 118.68 124.76 1g11 s LEU 80 Ca 0.63 -0.87 -0.03 0.00 0.05 0.00 0.00 54.13 53.91 1g11 s LEU 80 Cb 0.04 0.99 -0.01 0.00 -2.05 0.00 0.00 46.19 45.17 1g11 s LEU 80 CO 0.11 -0.82 -0.06 0.00 -0.55 0.00 0.00 176.35 175.04 1g11 n ALA 81 N -0.15 2.46 -3.76 1.48 0.00 -1.21 -4.80 120.51 114.53 1g11 n ALA 81 Ca -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1g11 n ALA 81 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1g11 n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g11 n SER 82 N -3.37 -1.56 -3.53 0.00 7.64 -0.44 -4.97 113.62 107.39 1g11 n SER 82 Ca -0.02 -2.45 -0.02 0.00 1.01 0.00 0.00 58.87 57.39 1g11 n SER 82 Cb 0.08 2.71 0.01 0.00 -1.01 0.00 0.00 64.21 66.00 1g11 n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1g11 s PHE 83 N -3.30 0.01 0.00 1.43 0.08 -1.26 -1.52 117.98 113.41 1g11 s PHE 83 Ca 0.18 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1g11 s PHE 83 Cb -0.03 0.65 0.00 0.00 -0.57 0.00 0.00 43.02 43.08 1g11 s PHE 83 CO 0.13 -0.75 0.00 0.00 -0.10 0.00 0.00 175.22 174.50 1g11 n ALA 84 N -0.64 2.07 -1.47 5.36 0.00 -1.17 -4.88 120.51 119.78 1g11 n ALA 84 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1g11 n ALA 84 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1g11 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g11 n GLY 85 N 3.37 1.18 3.46 0.00 0.00 -1.26 -4.67 105.19 107.27 1g11 n GLY 85 Ca 0.00 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1g11 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g11 s GLN 86 N 2.22 1.84 0.08 1.61 1.11 -1.15 -4.86 119.66 120.50 1g11 s GLN 86 Ca 0.00 -2.10 0.02 0.00 0.01 0.00 0.00 55.36 53.29 1g11 s GLN 86 Cb 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 33.01 31.50 1g11 s GLN 86 CO 0.00 -0.47 -0.07 0.96 0.01 0.00 0.00 175.29 175.72 1g11 s ILE 87 N -3.30 0.66 -0.01 1.08 -4.36 -1.26 -2.26 121.20 111.75 1g11 s ILE 87 Ca 0.28 -1.59 0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1g11 s ILE 87 Cb 0.03 -1.25 -0.00 0.00 1.25 0.00 0.00 42.46 42.49 1g11 s ILE 87 CO 0.16 -0.66 -0.05 -1.10 0.24 0.00 0.00 174.94 173.53 1g11 s GLN 88 N -2.90 0.51 -0.10 0.37 -1.52 -0.89 -5.00 119.66 110.13 1g11 s GLN 88 Ca 0.03 -0.19 0.03 0.00 -1.95 0.00 0.00 55.36 53.28 1g11 s GLN 88 Cb -0.01 -0.51 -0.01 0.00 -0.22 0.00 0.00 33.01 32.26 1g11 s GLN 88 CO -0.02 0.09 -0.19 0.00 -0.25 0.00 0.00 175.29 174.92 1g11 s ALA 89 N 0.03 2.39 0.45 6.09 0.00 -1.26 0.04 121.76 129.50 1g11 s ALA 89 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1g11 s ALA 89 Cb -0.04 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1g11 s ALA 89 CO -0.00 0.32 0.60 -3.47 0.00 0.00 0.00 175.76 173.21 1g11 n ASP 90 N 3.33 1.69 -0.26 0.00 -0.08 0.14 -4.93 116.55 116.43 1g11 n ASP 90 Ca -0.18 -2.22 -0.02 0.00 -1.51 0.00 0.00 54.79 50.86 1g11 n ASP 90 Cb 0.53 -0.31 0.01 0.00 2.34 0.00 0.00 41.12 43.69 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1g11 n GLU 91 N -1.95 -0.18 -3.02 -0.67 0.28 -1.26 -2.80 120.64 111.03 1g11 n GLU 91 Ca 0.12 1.04 -0.15 0.00 -0.16 0.00 0.00 57.16 58.01 1g11 n GLU 91 Cb 0.47 -1.54 0.01 0.00 1.43 0.00 0.00 31.44 31.81 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1g11 n ASP 92 N -4.97 -0.37 -3.68 -1.84 5.75 -1.26 -5.11 116.55 105.06 1g11 n ASP 92 Ca 0.06 -3.23 -0.01 0.00 -0.01 0.00 0.00 54.79 51.59 1g11 n ASP 92 Cb 0.26 0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.64 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g11 s GLN 93 N -1.37 0.90 -0.14 0.11 1.03 -1.12 -4.74 119.66 114.32 1g11 s GLN 93 Ca 0.34 -0.51 -0.13 0.00 0.04 0.00 0.00 55.36 55.10 1g11 s GLN 93 Cb 0.32 0.30 0.04 0.00 0.03 0.00 0.00 33.01 33.69 1g11 s GLN 93 CO -0.08 -0.41 0.38 -1.50 -2.54 0.00 0.00 175.29 171.14 1g11 s ILE 94 N -2.87 -0.00 0.35 3.63 -1.16 0.60 0.23 121.20 121.98 1g11 s ILE 94 Ca 0.14 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.32 1g11 s ILE 94 Cb 0.01 -0.53 -0.03 0.00 0.61 0.00 0.00 42.46 42.51 1g11 s ILE 94 CO 0.00 0.00 0.15 0.00 -2.81 0.00 0.00 174.94 172.28 1g11 s ARG 95 N 0.26 1.76 0.14 3.50 3.03 0.11 0.46 118.95 128.20 1g11 s ARG 95 Ca -0.00 -2.04 0.04 0.00 2.03 0.00 0.00 55.73 55.76 1g11 s ARG 95 Cb -0.03 -0.35 -0.04 0.00 -1.03 0.00 0.00 34.95 33.49 1g11 s ARG 95 CO -0.00 -0.46 -0.09 -0.06 -1.13 0.00 0.00 175.30 173.57 1g11 s PHE 96 N -3.39 1.21 -0.08 5.89 0.08 -1.12 -2.10 117.98 118.47 1g11 s PHE 96 Ca 0.31 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 1g11 s PHE 96 Cb 0.04 -0.63 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1g11 s PHE 96 CO 0.17 0.03 0.29 0.71 -0.10 0.00 0.00 175.22 176.31 1g11 s TYR 97 N -3.40 -0.26 -1.47 0.36 2.02 -0.96 -0.93 117.35 112.71 1g11 s TYR 97 Ca 0.17 0.59 0.06 0.00 -0.37 0.00 0.00 57.07 57.52 1g11 s TYR 97 Cb 0.03 0.10 0.21 0.00 -0.40 0.00 0.00 41.96 41.90 1g11 s TYR 97 CO 0.00 -0.23 1.03 1.97 -1.57 0.00 0.00 175.55 176.76 1g11 n PHE 98 N 2.39 0.43 -2.97 2.71 -1.74 0.91 -2.94 117.46 116.25 1g11 n PHE 98 Ca -0.16 -0.17 -0.43 0.00 -0.56 0.00 0.00 57.45 56.13 1g11 n PHE 98 Cb 0.57 -0.10 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 1g11 n PHE 98 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1g11 s ASP 99 N -0.66 6.26 0.00 5.98 -1.08 -1.26 -3.30 116.67 122.61 1g11 s ASP 99 Ca 0.15 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 1g11 s ASP 99 Cb 0.10 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1g11 s ASP 99 CO 0.08 -1.15 0.00 0.29 0.52 0.00 0.00 175.17 174.91 1g11 n LYS 100 N 7.00 0.00 -1.76 4.34 5.02 -0.44 -3.57 118.16 128.75 1g11 n LYS 100 Ca -0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1g11 n LYS 100 Cb 0.46 -0.45 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1g11 n THR 101 N -0.78 3.38 1.34 -0.18 5.66 -1.26 -4.84 114.28 117.60 1g11 n THR 101 Ca 0.00 -3.00 0.11 0.00 -3.05 0.00 0.00 64.05 58.11 1g11 n THR 101 Cb 0.00 -2.57 0.64 0.00 -1.55 0.00 0.00 70.33 66.85 1g11 n THR 101 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17