#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g11 s THR 2 N 0.00 5.23 1.21 0.44 -1.32 -1.26 -5.09 115.64 114.86 1g11 s THR 2 Ca 0.00 -0.65 -0.18 0.00 -1.21 0.00 0.00 61.69 59.65 1g11 s THR 2 Cb 0.00 -3.80 0.25 0.00 -1.51 0.00 0.00 72.50 67.44 1g11 s THR 2 CO 0.00 -0.27 0.54 0.18 -2.21 0.00 0.00 174.62 172.86 1g11 n LEU 3 N -1.06 -1.32 -4.49 9.08 4.32 -1.26 -5.04 117.00 117.23 1g11 n LEU 3 Ca -0.07 -0.46 -0.23 0.00 -0.02 0.00 0.00 56.01 55.23 1g11 n LEU 3 Cb 0.55 -0.95 -0.11 0.00 -1.62 0.00 0.00 43.42 41.29 1g11 n LEU 3 CO 0.47 -3.68 -0.27 0.00 -1.22 0.00 0.00 177.39 172.70 1g11 s ALA 4 N -2.17 2.57 0.79 -1.18 0.00 -1.26 -5.15 121.76 115.37 1g11 s ALA 4 Ca 0.55 -2.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 1g11 s ALA 4 Cb -0.12 0.55 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1g11 s ALA 4 CO 0.52 -0.26 1.10 -0.51 0.00 0.00 0.00 175.76 176.61 1g11 s ASP 5 N -3.54 4.55 0.00 0.00 1.11 -1.26 -5.01 116.67 112.52 1g11 s ASP 5 Ca 0.36 1.24 0.00 0.00 0.18 0.00 0.00 52.55 54.33 1g11 s ASP 5 Cb 0.09 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 42.11 1g11 s ASP 5 CO 0.16 -1.93 0.00 0.00 1.18 0.00 0.00 175.17 174.58 1g11 n GLN 6 N -3.40 0.00 -2.88 8.23 3.00 -1.26 -5.09 117.38 115.98 1g11 n GLN 6 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 1g11 n GLN 6 Cb 0.57 -0.92 0.01 0.00 0.00 0.00 0.00 30.24 29.89 1g11 n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1g11 n ALA 7 N -2.37 -2.98 -3.81 -1.58 0.00 -1.26 -5.05 120.51 103.46 1g11 n ALA 7 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 53.44 54.56 1g11 n ALA 7 Cb 0.43 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.19 1g11 n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g11 n LEU 8 N -0.34 0.00 -1.14 0.00 4.77 -1.26 -5.07 117.00 113.97 1g11 n LEU 8 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1g11 n LEU 8 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1g11 n LEU 8 CO 0.48 0.00 -0.34 1.41 -1.33 0.00 0.00 177.39 177.62 1g11 n HIS 9 N 0.00 -3.14 -1.50 -1.77 8.25 -1.26 -4.75 115.22 111.05 1g11 n HIS 9 Ca 0.00 1.68 -0.58 0.00 -0.26 0.00 0.00 57.72 58.56 1g11 n HIS 9 Cb 0.00 -2.78 -0.08 0.00 1.12 0.00 0.00 29.99 28.25 1g11 n HIS 9 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1g11 n ASN 10 N -1.46 0.02 0.09 0.41 6.94 -1.19 -4.74 115.26 115.33 1g11 n ASN 10 Ca 0.00 1.16 0.00 0.00 -0.02 0.00 0.00 54.58 55.72 1g11 n ASN 10 Cb 0.13 -0.93 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 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 1.57 -1.15 0.00 0.53 3.02 -1.23 -5.05 115.26 112.95 1g11 n ASN 11 Ca 0.20 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1g11 n ASN 11 Cb 0.09 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 1g11 n ASN 11 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1g11 n ASN 12 N -2.92 0.00 -4.55 6.41 6.94 -0.86 -4.23 115.26 116.05 1g11 n ASN 12 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 1g11 n ASN 12 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1g11 n ASN 12 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1g11 s VAL 13 N -1.78 4.27 -0.66 3.53 -7.23 -0.97 -4.63 120.40 112.93 1g11 s VAL 13 Ca 0.00 -0.22 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 1g11 s VAL 13 Cb 0.00 -2.90 0.20 0.00 0.56 0.00 0.00 36.38 34.24 1g11 s VAL 13 CO 0.00 0.48 0.56 0.61 -0.31 0.00 0.00 175.10 176.44 1g11 n GLY 14 N 3.55 4.11 3.62 2.32 0.00 -1.26 -2.59 105.19 114.94 1g11 n GLY 14 Ca -0.17 -2.54 -0.43 0.00 0.00 0.00 0.00 46.02 42.88 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 -1.67 3.84 -0.20 1.61 0.04 -1.24 -2.26 135.00 135.12 1g11 s PRO 15 Ca 0.30 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 1g11 s PRO 15 Cb 0.03 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.62 1g11 s PRO 15 CO -0.12 -1.23 -0.01 0.42 0.04 0.00 0.00 177.00 176.10 1g11 s ILE 16 N 4.67 3.81 0.21 0.56 1.09 -0.42 -2.40 121.20 128.71 1g11 s ILE 16 Ca 0.59 -0.36 -0.08 0.00 -1.10 0.00 0.00 60.65 59.70 1g11 s ILE 16 Cb -0.17 -2.72 -0.02 0.00 -1.06 0.00 0.00 42.46 38.50 1g11 s ILE 16 CO 0.26 0.43 0.30 0.27 -0.10 0.00 0.00 174.94 176.10 1g11 s ILE 17 N 1.03 0.02 0.61 2.92 -4.36 -0.93 0.28 121.20 120.77 1g11 s ILE 17 Ca 0.01 -1.60 -0.09 0.00 -0.26 0.00 0.00 60.65 58.72 1g11 s ILE 17 Cb -0.14 -2.18 0.14 0.00 1.25 0.00 0.00 42.46 41.52 1g11 s ILE 17 CO 0.01 -0.10 0.83 -2.11 0.24 0.00 0.00 174.94 173.81 1g11 n ARG 18 N -0.29 -0.65 -3.58 0.37 1.85 -1.26 0.44 116.66 113.54 1g11 n ARG 18 Ca -0.02 -1.43 -0.13 0.00 -1.00 0.00 0.00 57.85 55.26 1g11 n ARG 18 Cb 0.63 -0.80 -0.05 0.00 -1.05 0.00 0.00 32.46 31.19 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g11 s ALA 19 N -3.79 -1.27 0.09 2.89 0.00 -0.04 -4.13 121.76 115.51 1g11 s ALA 19 Ca 0.48 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1g11 s ALA 19 Cb -0.02 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1g11 s ALA 19 CO 0.33 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1g11 n GLY 20 N 0.36 -0.08 0.00 0.00 0.00 -1.26 -4.81 105.19 99.40 1g11 n GLY 20 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.15 0.00 -0.07 1.61 2.03 -1.26 -4.95 116.55 110.75 1g11 n ASP 21 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1g11 n ASP 21 Cb 0.14 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.00 0.58 0.00 -2.67 7.99 -1.26 -4.79 117.00 116.85 1g11 n LEU 22 Ca 0.00 0.02 0.14 0.00 -0.01 0.00 0.00 56.01 56.16 1g11 n LEU 22 Cb 0.00 -1.89 0.60 0.00 -0.11 0.00 0.00 43.42 42.02 1g11 n LEU 22 CO 0.00 -0.69 0.94 0.52 -1.51 0.00 0.00 177.39 176.65 1g11 n VAL 23 N -2.33 0.00 0.01 4.08 0.31 -1.26 -2.20 118.33 116.94 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 0.35 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.77 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 -0.13 0.00 5.55 5.08 -1.98 -0.12 114.58 122.99 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1g11 h GLU 24 Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1g11 h GLU 24 CO 0.00 0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.83 1g11 n PRO 25 N -4.84 0.16 -0.05 2.33 -0.04 -1.24 -1.38 135.00 129.94 1g11 n PRO 25 Ca -0.04 0.26 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 1g11 n PRO 25 Cb 0.18 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.77 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 0.93 0.00 0.52 2.07 -1.53 -2.31 116.25 115.92 1g11 h VAL 26 Ca 0.00 -2.28 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 1g11 h VAL 26 Cb 0.50 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1g11 h VAL 26 CO 0.00 0.55 -0.30 -0.29 0.02 0.00 0.00 177.57 177.55 1g11 h ILE 27 N -0.60 0.89 0.10 4.57 6.09 -0.97 0.59 117.51 128.18 1g11 h ILE 27 Ca -0.34 -1.16 -0.28 0.00 -1.37 0.00 0.00 64.86 61.71 1g11 h ILE 27 Cb 1.55 1.69 -0.01 0.00 0.47 0.00 0.00 36.82 40.53 1g11 h ILE 27 CO -0.07 0.29 -1.37 -0.08 -3.07 0.00 0.00 178.15 173.85 1g11 h GLU 28 N 0.00 0.22 0.00 2.19 4.81 -1.36 -2.62 114.58 117.82 1g11 h GLU 28 Ca -0.00 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1g11 h GLU 28 Cb 0.67 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1g11 h GLU 28 CO 0.04 1.11 -0.48 1.15 -0.73 0.00 0.00 179.01 180.10 1g11 h THR 29 N 0.06 0.37 0.11 0.32 2.02 -1.07 -2.98 112.91 111.74 1g11 h THR 29 Ca -0.18 -1.56 -0.26 0.00 0.77 0.00 0.00 66.41 65.18 1g11 h THR 29 Cb 1.97 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1g11 h THR 29 CO 0.17 0.21 -1.19 0.00 0.37 0.00 0.00 175.52 175.09 1g11 h ALA 30 N 1.75 0.15 -0.21 6.16 0.00 0.11 -2.74 119.26 124.48 1g11 h ALA 30 Ca -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 1g11 h ALA 30 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1g11 h ALA 30 CO 0.03 0.97 -0.07 0.93 0.00 0.00 0.00 179.25 181.10 1g11 h GLU 31 N 0.09 0.42 -0.90 0.00 4.39 -1.50 -2.97 114.58 114.10 1g11 h GLU 31 Ca -0.12 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1g11 h GLU 31 Cb 1.91 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.49 1g11 h GLU 31 CO 0.19 0.68 0.55 -0.84 -1.16 0.00 0.00 179.01 178.44 1g11 h ILE 32 N 0.13 1.25 -0.29 3.13 3.07 -1.60 0.12 117.51 123.31 1g11 h ILE 32 Ca 0.05 -0.53 0.08 0.00 1.55 0.00 0.00 64.86 66.01 1g11 h ILE 32 Cb 0.54 -0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.05 1g11 h ILE 32 CO 0.03 0.26 0.41 -0.78 -1.05 0.00 0.00 178.15 177.01 1g11 h ASP 33 N 1.25 0.00 -1.54 2.16 1.82 -1.32 -3.42 116.42 115.37 1g11 h ASP 33 Ca 0.33 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.34 1g11 h ASP 33 Cb -0.06 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 39.82 1g11 h ASP 33 CO -0.06 0.00 -0.54 0.20 -1.61 0.00 0.00 179.24 177.22 1g11 s ASN 34 N -5.06 3.61 -1.23 2.28 0.02 0.03 -5.00 114.94 109.58 1g11 s ASN 34 Ca -0.04 -1.56 -0.20 0.00 -1.02 0.00 0.00 52.86 50.03 1g11 s ASN 34 Cb 0.14 0.24 -0.00 0.00 0.02 0.00 0.00 41.25 41.65 1g11 s ASN 34 CO 0.47 -0.75 1.82 -2.16 0.02 0.00 0.00 177.10 176.50 1g11 s PRO 35 N -3.81 3.30 -0.25 -0.60 0.04 -1.26 -4.75 135.00 127.67 1g11 s PRO 35 Ca 0.19 -1.58 0.01 0.00 0.04 0.00 0.00 61.00 59.66 1g11 s PRO 35 Cb 0.04 -5.40 0.25 0.00 0.04 0.00 0.00 34.50 29.44 1g11 s PRO 35 CO 0.10 -3.04 1.70 0.41 0.04 0.00 0.00 177.00 176.22 1g11 n GLY 36 N 5.65 3.55 1.54 0.56 0.00 -1.23 -4.24 105.19 111.01 1g11 n GLY 36 Ca 0.47 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 0.08 3.05 -2.65 1.61 -0.00 -1.26 -4.15 118.16 114.83 1g11 n LYS 37 Ca 0.28 -2.05 -0.03 0.00 -0.00 0.00 0.00 58.31 56.51 1g11 n LYS 37 Cb 0.81 -1.94 -0.02 0.00 -0.00 0.00 0.00 35.03 33.89 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1g11 n GLU 38 N 0.11 0.07 -4.05 -1.58 0.28 -1.26 -5.16 120.64 109.06 1g11 n GLU 38 Ca 0.25 -0.58 -0.12 0.00 -0.16 0.00 0.00 57.16 56.55 1g11 n GLU 38 Cb 1.00 -0.01 -0.11 0.00 1.43 0.00 0.00 31.44 33.75 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 0.01 0.43 -0.19 3.84 1.09 -1.26 -4.62 121.20 120.51 1g11 s ILE 39 Ca 0.03 -1.10 0.01 0.00 -1.10 0.00 0.00 60.65 58.49 1g11 s ILE 39 Cb 0.05 -0.59 0.04 0.00 -1.06 0.00 0.00 42.46 40.90 1g11 s ILE 39 CO -0.03 -0.45 -0.10 -0.89 -0.10 0.00 0.00 174.94 173.37 1g11 s THR 40 N -1.57 1.56 -0.03 2.92 2.01 -0.62 -5.02 115.64 114.90 1g11 s THR 40 Ca -0.10 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 1g11 s THR 40 Cb -0.09 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1g11 s THR 40 CO -0.00 0.19 0.22 -0.69 -0.69 0.00 0.00 174.62 173.65 1g11 s VAL 41 N 1.44 5.37 -0.64 3.82 1.01 -1.26 -0.84 120.40 129.30 1g11 s VAL 41 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1g11 s VAL 41 Cb -0.16 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 32.86 1g11 s VAL 41 CO -0.08 0.42 0.45 -1.61 0.00 0.00 0.00 175.10 174.28 1g11 s GLU 42 N -1.61 2.15 -0.54 2.72 0.41 -0.25 -4.99 118.70 116.60 1g11 s GLU 42 Ca 0.24 -3.07 -0.20 0.00 -0.41 0.00 0.00 54.97 51.54 1g11 s GLU 42 Cb -0.13 -3.06 0.07 0.00 -1.78 0.00 0.00 34.13 29.23 1g11 s GLU 42 CO 0.14 -1.29 0.69 -0.51 -0.49 0.00 0.00 175.26 173.80 1g11 s ASP 43 N -1.10 6.22 -0.13 -0.19 1.01 -1.26 -2.79 116.67 118.43 1g11 s ASP 43 Ca 0.26 -1.02 -0.16 0.00 0.71 0.00 0.00 52.55 52.33 1g11 s ASP 43 Cb -0.05 -2.31 -0.14 0.00 1.01 0.00 0.00 42.92 41.43 1g11 s ASP 43 CO -0.16 -1.01 0.39 -0.09 0.21 0.00 0.00 175.17 174.51 1g11 h ARG 44 N 9.10 0.00 0.00 8.23 9.65 -1.95 -3.50 114.38 135.91 1g11 h ARG 44 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1g11 h ARG 44 Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1g11 h ARG 44 CO 1.02 0.56 0.00 0.54 2.80 0.00 0.00 179.97 184.89 1g11 n ARG 45 N -4.67 0.00 -0.07 0.20 1.74 -1.26 -4.98 116.66 107.62 1g11 n ARG 45 Ca -0.07 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 1g11 n ARG 45 Cb 0.29 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.66 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g11 h ALA 46 N 0.00 0.06 -2.00 7.54 0.00 -1.95 -3.46 119.26 119.45 1g11 h ALA 46 Ca 0.00 -0.52 -0.50 0.00 0.00 0.00 0.00 54.91 53.89 1g11 h ALA 46 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1g11 h ALA 46 CO 0.00 0.23 -0.47 0.71 0.00 0.00 0.00 179.25 179.71 1g11 s TYR 47 N -2.07 3.02 -0.15 0.00 2.02 -1.26 -0.86 117.35 118.05 1g11 s TYR 47 Ca -0.15 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1g11 s TYR 47 Cb 0.00 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1g11 s TYR 47 CO 0.42 0.32 0.00 0.08 -1.57 0.00 0.00 175.55 174.80 1g11 s VAL 48 N -2.22 0.61 0.33 0.71 1.01 0.17 -3.33 120.40 117.68 1g11 s VAL 48 Ca 0.38 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1g11 s VAL 48 Cb -0.07 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1g11 s VAL 48 CO 0.26 0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 1g11 s ARG 49 N 1.85 1.87 0.23 2.72 3.03 -1.12 -2.18 118.95 125.35 1g11 s ARG 49 Ca 0.01 -1.84 0.01 0.00 2.03 0.00 0.00 55.73 55.94 1g11 s ARG 49 Cb -0.15 -1.79 -0.04 0.00 -1.03 0.00 0.00 34.95 31.94 1g11 s ARG 49 CO -0.07 0.19 0.15 0.42 -1.13 0.00 0.00 175.30 174.85 1g11 s ILE 50 N -2.56 0.07 -0.19 4.99 1.01 -1.01 -1.09 121.20 122.43 1g11 s ILE 50 Ca 0.32 -2.00 -0.08 0.00 0.00 0.00 0.00 60.65 58.89 1g11 s ILE 50 Cb -0.00 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 40.04 1g11 s ILE 50 CO 0.17 0.00 0.43 0.00 0.00 0.00 0.00 174.94 175.54 1g11 s ALA 51 N -4.00 -1.17 0.31 9.38 0.00 -0.02 -3.68 121.76 122.58 1g11 s ALA 51 Ca 0.39 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1g11 s ALA 51 Cb 0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1g11 s ALA 51 CO 0.14 -0.57 0.14 0.00 0.00 0.00 0.00 175.76 175.48 1g11 s ALA 52 N 2.15 2.04 0.65 0.00 0.00 -1.07 -1.60 121.76 123.94 1g11 s ALA 52 Ca -0.05 -1.74 0.37 0.00 0.00 0.00 0.00 51.96 50.55 1g11 s ALA 52 Cb -0.10 1.08 2.06 0.00 0.00 0.00 0.00 23.12 26.16 1g11 s ALA 52 CO -0.13 -0.48 2.21 1.49 0.00 0.00 0.00 175.76 178.85 1g11 h GLU 53 N 2.19 0.00 0.00 0.00 4.81 -1.81 -2.56 114.58 117.20 1g11 h GLU 53 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1g11 h GLU 53 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1g11 h GLU 53 CO 0.54 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 1g11 n GLY 54 N -1.19 1.01 3.33 1.92 0.00 -1.26 -2.04 105.19 106.97 1g11 n GLY 54 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1g11 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g11 s GLU 55 N 0.00 0.11 0.20 1.61 2.12 -1.26 -2.87 118.70 118.60 1g11 s GLU 55 Ca 0.00 0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.47 1g11 s GLU 55 Cb 0.00 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1g11 s GLU 55 CO 0.00 -0.03 0.35 -0.51 -0.54 0.00 0.00 175.26 174.53 1g11 s LEU 56 N 1.92 0.70 -0.17 2.70 1.43 0.16 -4.99 118.68 120.44 1g11 s LEU 56 Ca -0.02 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 1g11 s LEU 56 Cb -0.02 1.36 0.07 0.00 0.03 0.00 0.00 46.19 47.63 1g11 s LEU 56 CO -0.15 -0.98 0.38 0.27 0.23 0.00 0.00 176.35 176.09 1g11 s ILE 57 N -4.00 -0.29 0.16 -0.59 -5.25 -1.26 -1.90 121.20 108.07 1g11 s ILE 57 Ca 0.21 0.15 0.11 0.00 -0.99 0.00 0.00 60.65 60.13 1g11 s ILE 57 Cb 0.02 -0.59 -0.04 0.00 2.95 0.00 0.00 42.46 44.80 1g11 s ILE 57 CO 0.04 0.06 -0.23 -0.76 -1.79 0.00 0.00 174.94 172.27 1g11 s LEU 58 N 1.94 2.48 0.00 0.37 1.43 0.96 -4.77 118.68 121.08 1g11 s LEU 58 Ca -0.05 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 1g11 s LEU 58 Cb -0.10 -1.28 0.10 0.00 0.03 0.00 0.00 46.19 44.94 1g11 s LEU 58 CO -0.12 0.15 1.02 0.35 0.23 0.00 0.00 176.35 177.98 1g11 n THR 59 N 0.53 0.00 -1.00 5.49 -2.24 -1.26 -1.59 114.28 114.21 1g11 n THR 59 Ca -0.15 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1g11 n THR 59 Cb 0.54 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1g11 n THR 59 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1g11 n ARG 60 N 0.12 1.85 0.10 -0.78 -4.01 -1.26 -4.36 116.66 108.32 1g11 n ARG 60 Ca 0.01 -1.33 0.11 0.00 -1.04 0.00 0.00 57.85 55.60 1g11 n ARG 60 Cb 0.80 -1.72 0.44 0.00 -3.04 0.00 0.00 32.46 28.94 1g11 n ARG 60 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1g11 n LYS 61 N 1.23 0.14 0.03 2.89 -0.00 -1.26 -0.86 118.16 120.32 1g11 n LYS 61 Ca 0.32 0.38 -0.14 0.00 -0.00 0.00 0.00 58.31 58.88 1g11 n LYS 61 Cb 0.64 -1.78 -0.14 0.00 -0.00 0.00 0.00 35.03 33.75 1g11 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g11 h THR 62 N 0.00 1.04 0.15 0.58 1.03 -1.94 -2.46 112.91 111.30 1g11 h THR 62 Ca 0.00 -2.77 -0.29 0.00 -0.01 0.00 0.00 66.41 63.33 1g11 h THR 62 Cb 0.33 2.62 0.01 0.00 -1.07 0.00 0.00 68.15 70.03 1g11 h THR 62 CO 0.00 0.74 -1.34 0.25 -0.01 0.00 0.00 175.52 175.15 1g11 h LEU 63 N 0.04 0.49 -0.62 0.00 6.46 -1.76 -2.56 115.31 117.36 1g11 h LEU 63 Ca -0.26 -0.56 -0.15 0.00 -0.12 0.00 0.00 57.88 56.80 1g11 h LEU 63 Cb 1.99 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.74 1g11 h LEU 63 CO 0.12 1.44 -0.69 -0.33 -0.62 0.00 0.00 178.44 178.36 1g11 h GLU 64 N 0.09 0.02 -0.11 1.25 4.39 -1.13 -2.26 114.58 116.81 1g11 h GLU 64 Ca -0.18 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.30 1g11 h GLU 64 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1g11 h GLU 64 CO 0.21 0.70 -0.78 0.93 -1.16 0.00 0.00 179.01 178.91 1g11 h GLU 65 N 0.01 0.62 -0.03 2.33 5.08 -1.48 -3.28 114.58 117.84 1g11 h GLU 65 Ca -0.01 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1g11 h GLU 65 Cb 1.22 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1g11 h GLU 65 CO 0.09 1.14 -0.00 1.96 -1.00 0.00 0.00 179.01 181.20 1g11 h GLN 66 N 0.42 0.04 -1.47 2.33 4.20 -1.39 0.77 115.11 120.02 1g11 h GLN 66 Ca -0.05 -0.01 0.43 0.00 0.06 0.00 0.00 58.65 59.07 1g11 h GLN 66 Cb 1.39 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.10 1g11 h GLN 66 CO 0.15 0.34 1.21 -0.07 -0.67 0.00 0.00 178.83 179.79 1g11 h LEU 67 N -0.26 0.00 -5.19 1.46 3.38 -1.46 -2.51 115.31 110.73 1g11 h LEU 67 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1g11 h LEU 67 Cb 0.32 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.88 1g11 h LEU 67 CO 0.00 0.00 -0.60 0.61 0.09 0.00 0.00 178.44 178.55 1g11 n GLY 68 N -1.81 0.84 0.29 0.83 0.00 -0.96 -4.99 105.19 99.39 1g11 n GLY 68 Ca 0.33 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 3.54 0.62 -3.60 1.61 3.08 0.10 -3.03 114.38 116.70 1g11 h ARG 69 Ca -0.09 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.36 1g11 h ARG 69 Cb 1.04 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.96 1g11 h ARG 69 CO 0.28 0.41 2.98 -0.35 -1.07 0.00 0.00 179.97 182.23 1g11 n PRO 70 N -4.85 2.54 -0.25 0.04 -0.04 -1.26 -4.73 135.00 126.46 1g11 n PRO 70 Ca 0.13 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1g11 n PRO 70 Cb 0.33 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 4.94 -0.23 -2.84 0.54 -1.74 -1.15 -5.18 117.46 111.80 1g11 n PHE 71 Ca 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.45 1g11 n PHE 71 Cb 0.25 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.23 0.00 0.10 5.98 3.02 -1.26 -5.02 115.26 117.85 1g11 n ASN 72 Ca 0.00 -0.35 0.13 0.00 -0.03 0.00 0.00 54.58 54.33 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 0.24 -0.21 3.52 0.00 -1.26 -3.47 117.12 115.94 1g11 n MET 73 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 57.70 57.84 1g11 n MET 73 Cb 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 33.22 31.46 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 0.85 0.00 3.17 4.15 -2.00 -1.41 115.11 119.87 1g11 h GLN 74 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1g11 h GLN 74 Cb 0.71 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1g11 h GLN 74 CO 0.00 0.68 -0.10 0.93 -1.93 0.00 0.00 178.83 178.41 1g11 h GLU 75 N 0.80 0.00 -0.58 1.69 5.08 -1.95 -0.60 114.58 119.02 1g11 h GLU 75 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1g11 h GLU 75 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1g11 h GLU 75 CO -0.03 0.10 0.10 -0.07 -1.00 0.00 0.00 179.01 178.11 1g11 h LEU 76 N 0.00 0.92 0.00 1.33 -0.00 -1.37 0.92 115.31 117.11 1g11 h LEU 76 Ca -0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1g11 h LEU 76 Cb 0.61 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1g11 h LEU 76 CO 0.01 0.94 -0.66 1.21 -0.00 0.00 0.00 178.44 179.94 1g11 n GLU 77 N -4.33 0.28 0.08 1.13 2.13 -1.05 -3.58 120.64 115.31 1g11 n GLU 77 Ca 0.03 0.07 0.11 0.00 0.66 0.00 0.00 57.16 58.03 1g11 n GLU 77 Cb 0.27 -1.67 0.01 0.00 0.27 0.00 0.00 31.44 30.32 1g11 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1g11 n ILE 78 N -2.07 0.49 -2.86 6.31 2.08 -0.26 -4.40 119.36 118.65 1g11 n ILE 78 Ca 0.03 -0.48 -0.43 0.00 0.56 0.00 0.00 62.75 62.43 1g11 n ILE 78 Cb 0.43 -0.22 0.01 0.00 -0.75 0.00 0.00 39.64 39.11 1g11 n ILE 78 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1g11 n ASN 79 N -2.50 6.05 -4.29 4.38 4.13 0.32 -4.95 115.26 118.39 1g11 n ASN 79 Ca 0.00 -3.32 -0.15 0.00 1.68 0.00 0.00 54.58 52.79 1g11 n ASN 79 Cb 0.53 -1.33 -0.10 0.00 -1.54 0.00 0.00 39.78 37.33 1g11 n ASN 79 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1g11 s LEU 80 N -2.01 1.67 0.00 3.41 1.43 -1.26 -4.72 118.68 117.19 1g11 s LEU 80 Ca 0.33 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1g11 s LEU 80 Cb 0.05 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.32 1g11 s LEU 80 CO 0.07 -0.71 0.00 0.00 0.23 0.00 0.00 176.35 175.94 1g11 n ALA 81 N -0.41 2.75 -3.93 4.21 0.00 -0.96 -4.60 120.51 117.58 1g11 n ALA 81 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1g11 n ALA 81 Cb 0.66 0.15 0.01 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.43 -1.29 -3.60 0.00 7.64 0.14 -4.93 113.62 109.15 1g11 n SER 82 Ca 0.00 -1.42 -0.07 0.00 1.01 0.00 0.00 58.87 58.39 1g11 n SER 82 Cb 0.15 2.04 -0.05 0.00 -1.01 0.00 0.00 64.21 65.34 1g11 n SER 82 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1g11 s PHE 83 N -2.13 -0.25 -0.25 1.43 2.19 -1.26 -1.31 117.98 116.41 1g11 s PHE 83 Ca 0.27 0.42 -0.05 0.00 0.33 0.00 0.00 56.93 57.89 1g11 s PHE 83 Cb -0.01 0.47 -0.14 0.00 -1.31 0.00 0.00 43.02 42.03 1g11 s PHE 83 CO 0.01 -0.24 -0.27 0.00 1.83 0.00 0.00 175.22 176.55 1g11 n ALA 84 N 0.61 1.40 -1.81 11.12 0.00 -0.96 -4.97 120.51 125.91 1g11 n ALA 84 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1g11 n ALA 84 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 1.89 1.72 3.72 0.00 0.00 -1.26 -4.93 105.19 106.34 1g11 n GLY 85 Ca -0.47 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 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 3.35 2.28 0.13 1.61 -0.21 0.25 -4.95 119.66 122.11 1g11 s GLN 86 Ca 0.00 -1.69 0.09 0.00 0.02 0.00 0.00 55.36 53.78 1g11 s GLN 86 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 1g11 s GLN 86 CO 0.00 0.02 -0.22 0.42 -2.12 0.00 0.00 175.29 173.40 1g11 s ILE 87 N -2.50 1.88 -0.29 1.08 1.09 -1.26 -2.52 121.20 118.68 1g11 s ILE 87 Ca 0.39 -1.69 -0.16 0.00 -1.10 0.00 0.00 60.65 58.09 1g11 s ILE 87 Cb 0.00 -1.74 0.15 0.00 -1.06 0.00 0.00 42.46 39.81 1g11 s ILE 87 CO 0.22 -0.09 0.96 0.00 -0.10 0.00 0.00 174.94 175.94 1g11 s GLN 88 N -2.16 0.37 0.43 2.79 1.03 -0.63 -5.00 119.66 116.48 1g11 s GLN 88 Ca 0.11 0.72 0.08 0.00 0.04 0.00 0.00 55.36 56.30 1g11 s GLN 88 Cb -0.09 0.20 -0.02 0.00 0.03 0.00 0.00 33.01 33.13 1g11 s GLN 88 CO 0.05 -0.09 0.37 0.00 -2.54 0.00 0.00 175.29 173.09 1g11 s ALA 89 N 1.70 4.06 0.09 2.60 0.00 -1.26 0.42 121.76 129.36 1g11 s ALA 89 Ca -0.07 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1g11 s ALA 89 Cb -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1g11 s ALA 89 CO -0.16 -0.25 0.00 -3.47 0.00 0.00 0.00 175.76 171.89 1g11 n ASP 90 N -1.55 2.19 -0.25 0.00 2.03 -0.06 -4.86 116.55 114.04 1g11 n ASP 90 Ca 0.03 -1.37 -0.02 0.00 0.52 0.00 0.00 54.79 53.95 1g11 n ASP 90 Cb 0.62 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1g11 n GLU 91 N -0.24 -0.18 -2.99 -0.67 0.28 -1.26 -2.85 120.64 112.72 1g11 n GLU 91 Ca -0.03 0.97 -0.15 0.00 -0.16 0.00 0.00 57.16 57.79 1g11 n GLU 91 Cb 0.11 -1.43 0.01 0.00 1.43 0.00 0.00 31.44 31.56 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1g11 n ASP 92 N -4.89 -0.64 -3.51 -1.84 8.00 -1.26 -5.12 116.55 107.28 1g11 n ASP 92 Ca 0.05 -3.25 -0.05 0.00 0.71 0.00 0.00 54.79 52.26 1g11 n ASP 92 Cb 0.23 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g11 s GLN 93 N -1.11 1.51 -0.07 -1.24 -2.07 -1.13 -4.70 119.66 110.85 1g11 s GLN 93 Ca 0.33 -0.90 -0.01 0.00 -1.82 0.00 0.00 55.36 52.95 1g11 s GLN 93 Cb 0.30 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.72 1g11 s GLN 93 CO -0.09 -0.70 -0.00 -1.50 -1.32 0.00 0.00 175.29 171.68 1g11 s ILE 94 N -2.90 0.40 0.08 3.63 2.07 -0.62 -0.88 121.20 122.97 1g11 s ILE 94 Ca 0.15 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.57 1g11 s ILE 94 Cb -0.03 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 1g11 s ILE 94 CO 0.05 0.26 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.02 1g11 s ARG 95 N 1.88 1.88 0.01 3.50 0.52 0.17 -0.03 118.95 126.88 1g11 s ARG 95 Ca 0.04 -1.10 0.06 0.00 -0.52 0.00 0.00 55.73 54.21 1g11 s ARG 95 Cb -0.12 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 1g11 s ARG 95 CO -0.05 0.51 -0.19 -0.06 0.02 0.00 0.00 175.30 175.52 1g11 s PHE 96 N -1.02 1.72 0.09 -0.53 0.08 -0.80 -1.60 117.98 115.92 1g11 s PHE 96 Ca 0.16 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.63 1g11 s PHE 96 Cb -0.10 -1.07 0.06 0.00 -0.57 0.00 0.00 43.02 41.33 1g11 s PHE 96 CO 0.07 0.02 0.56 1.52 -0.10 0.00 0.00 175.22 177.29 1g11 s TYR 97 N -0.59 -0.48 -0.51 0.36 1.13 -1.05 0.40 117.35 116.61 1g11 s TYR 97 Ca 0.07 0.44 0.01 0.00 -1.41 0.00 0.00 57.07 56.18 1g11 s TYR 97 Cb -0.08 0.43 0.13 0.00 -1.10 0.00 0.00 41.96 41.34 1g11 s TYR 97 CO 0.00 -0.73 0.28 0.12 -2.51 0.00 0.00 175.55 172.71 1g11 s PHE 98 N -2.93 3.38 0.12 -3.49 5.36 -1.14 0.84 117.98 120.13 1g11 s PHE 98 Ca -0.03 -2.93 -0.09 0.00 -0.96 0.00 0.00 56.93 52.92 1g11 s PHE 98 Cb -0.00 -3.00 -0.00 0.00 -0.34 0.00 0.00 43.02 39.68 1g11 s PHE 98 CO -0.06 -0.83 0.24 -0.51 -1.46 0.00 0.00 175.22 172.60 1g11 s ASP 99 N 0.41 0.07 0.00 6.13 1.11 -1.26 -3.16 116.67 119.97 1g11 s ASP 99 Ca 0.15 -0.72 0.00 0.00 0.18 0.00 0.00 52.55 52.16 1g11 s ASP 99 Cb -0.23 0.38 0.00 0.00 1.07 0.00 0.00 42.92 44.15 1g11 s ASP 99 CO -0.03 -0.80 0.00 2.29 1.18 0.00 0.00 175.17 177.81 1g11 n LYS 100 N -0.13 1.93 -0.96 8.23 2.85 -1.26 -4.61 118.16 124.21 1g11 n LYS 100 Ca -0.12 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.77 1g11 n LYS 100 Cb 0.63 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 35.06 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1g11 n THR 101 N -0.52 0.00 1.02 0.58 5.66 -1.26 -5.04 114.28 114.72 1g11 n THR 101 Ca 0.00 -0.28 0.12 0.00 -3.05 0.00 0.00 64.05 60.84 1g11 n THR 101 Cb 0.00 -0.09 0.12 0.00 -1.55 0.00 0.00 70.33 68.81 1g11 n THR 101 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82