#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 0.00 -2.26 0.44 -2.24 -1.26 -5.12 114.28 103.84 1g11 n THR 2 Ca 0.00 -1.96 -0.25 0.00 -2.27 0.00 0.00 64.05 59.57 1g11 n THR 2 Cb 0.00 -0.46 0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1g11 n THR 2 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1g11 s LEU 3 N 0.00 2.87 0.59 3.22 0.20 -1.26 -5.06 118.68 119.25 1g11 s LEU 3 Ca 0.58 0.35 -0.16 0.00 0.69 0.00 0.00 54.13 55.58 1g11 s LEU 3 Cb -0.05 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.71 1g11 s LEU 3 CO 0.37 -1.62 1.06 0.00 -0.29 0.00 0.00 176.35 175.87 1g11 s ALA 4 N -3.22 2.72 0.61 5.97 0.00 -1.26 -5.06 121.76 121.52 1g11 s ALA 4 Ca 0.61 0.43 0.05 0.00 0.00 0.00 0.00 51.96 53.05 1g11 s ALA 4 Cb -0.10 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1g11 s ALA 4 CO 0.44 -0.83 0.84 0.34 0.00 0.00 0.00 175.76 176.56 1g11 s ASP 5 N -2.69 4.89 0.45 0.00 2.15 -1.26 -5.13 116.67 115.08 1g11 s ASP 5 Ca 0.64 -0.53 0.06 0.00 0.43 0.00 0.00 52.55 53.15 1g11 s ASP 5 Cb -0.17 -0.04 -0.03 0.00 -0.30 0.00 0.00 42.92 42.38 1g11 s ASP 5 CO 0.36 -1.46 0.22 -1.10 -0.17 0.00 0.00 175.17 173.03 1g11 s GLN 6 N -4.82 2.25 -0.30 4.34 -1.52 -1.26 -5.12 119.66 113.22 1g11 s GLN 6 Ca 0.62 -1.92 -0.12 0.00 -1.95 0.00 0.00 55.36 51.99 1g11 s GLN 6 Cb -0.06 -1.99 0.18 0.00 -0.22 0.00 0.00 33.01 30.92 1g11 s GLN 6 CO 0.40 -0.26 1.07 0.00 -0.25 0.00 0.00 175.29 176.26 1g11 s ALA 7 N -2.66 -4.07 -0.06 6.09 0.00 -1.26 -5.13 121.76 114.67 1g11 s ALA 7 Ca 0.36 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 1g11 s ALA 7 Cb 0.02 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1g11 s ALA 7 CO 0.20 -2.04 1.34 -0.51 0.00 0.00 0.00 175.76 174.75 1g11 s LEU 8 N 2.96 4.27 0.00 0.00 1.02 -1.26 -4.93 118.68 120.74 1g11 s LEU 8 Ca 0.25 1.93 0.00 0.00 0.02 0.00 0.00 54.13 56.33 1g11 s LEU 8 Cb -0.02 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1g11 s LEU 8 CO -0.21 -0.71 0.00 1.57 0.02 0.00 0.00 176.35 177.01 1g11 n HIS 9 N 5.84 0.00 -1.72 0.29 -0.00 -1.26 -4.79 115.22 113.58 1g11 n HIS 9 Ca 0.13 0.00 -0.62 0.00 -0.00 0.00 0.00 57.72 57.24 1g11 n HIS 9 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.35 1g11 n HIS 9 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1g11 n ASN 10 N 0.00 1.88 0.00 0.26 5.15 -1.26 -4.69 115.26 116.60 1g11 n ASN 10 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1g11 n ASN 10 Cb 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1g11 n ASN 11 N 4.74 0.00 -3.75 1.20 3.02 -1.12 -5.04 115.26 114.31 1g11 n ASN 11 Ca 0.28 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.70 1g11 n ASN 11 Cb 0.06 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1g11 n ASN 11 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1g11 s ASN 12 N 1.45 -0.19 0.17 6.41 2.20 -0.14 -4.51 114.94 120.34 1g11 s ASN 12 Ca 0.00 0.04 0.05 0.00 -0.94 0.00 0.00 52.86 52.02 1g11 s ASN 12 Cb 0.00 0.33 -0.05 0.00 -2.00 0.00 0.00 41.25 39.53 1g11 s ASN 12 CO 0.00 -0.49 -0.11 0.68 -2.94 0.00 0.00 177.10 174.24 1g11 s VAL 13 N -1.58 1.31 -0.45 3.54 -7.23 -0.72 -4.77 120.40 110.50 1g11 s VAL 13 Ca -0.12 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.01 1g11 s VAL 13 Cb -0.04 -1.92 0.18 0.00 0.56 0.00 0.00 36.38 35.15 1g11 s VAL 13 CO 0.03 -0.69 0.54 -0.83 -0.31 0.00 0.00 175.10 173.84 1g11 s GLY 14 N -3.21 -0.31 -0.25 2.32 0.00 -1.26 -2.03 107.32 102.57 1g11 s GLY 14 Ca 0.19 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 1g11 s GLY 14 CO 0.03 3.04 1.32 2.56 0.00 0.00 0.00 173.10 180.05 1g11 s PRO 15 N 0.83 3.99 -0.42 2.90 0.04 -1.21 -2.60 135.00 138.53 1g11 s PRO 15 Ca 0.27 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 1g11 s PRO 15 Cb -0.02 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.69 1g11 s PRO 15 CO -0.09 -1.02 0.31 0.42 0.04 0.00 0.00 177.00 176.65 1g11 s ILE 16 N 4.21 5.12 0.44 0.56 -1.09 -0.94 -2.46 121.20 127.06 1g11 s ILE 16 Ca 0.57 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 1g11 s ILE 16 Cb -0.19 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1g11 s ILE 16 CO 0.21 -0.37 0.12 0.27 -1.23 0.00 0.00 174.94 173.95 1g11 s ILE 17 N 1.64 1.94 0.69 2.92 -4.36 -0.11 0.31 121.20 124.24 1g11 s ILE 17 Ca 0.04 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 1g11 s ILE 17 Cb -0.20 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.75 1g11 s ILE 17 CO 0.08 0.00 1.06 0.00 0.24 0.00 0.00 174.94 176.32 1g11 s ARG 18 N -3.88 2.97 0.09 0.37 1.70 -1.26 0.26 118.95 119.20 1g11 s ARG 18 Ca 0.32 0.90 0.00 0.00 -0.47 0.00 0.00 55.73 56.48 1g11 s ARG 18 Cb 0.05 -2.00 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 1g11 s ARG 18 CO 0.18 -1.06 0.24 0.00 -1.08 0.00 0.00 175.30 173.58 1g11 s ALA 19 N -3.08 3.98 0.00 7.88 0.00 -1.17 -3.94 121.76 125.44 1g11 s ALA 19 Ca 0.58 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1g11 s ALA 19 Cb -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1g11 s ALA 19 CO 0.55 0.74 0.00 0.41 0.00 0.00 0.00 175.76 177.45 1g11 n GLY 20 N 0.04 0.09 3.63 0.00 0.00 -1.26 -4.94 105.19 102.76 1g11 n GLY 20 Ca -0.05 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1g11 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g11 s ASP 21 N 1.30 -0.09 -1.22 1.61 -1.08 -1.26 -4.95 116.67 110.99 1g11 s ASP 21 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1g11 s ASP 21 Cb 0.00 0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 1g11 s ASP 21 CO 0.00 -0.08 0.00 0.18 0.52 0.00 0.00 175.17 175.79 1g11 n LEU 22 N 0.54 -0.71 0.00 -1.34 4.32 -1.26 -4.83 117.00 113.73 1g11 n LEU 22 Ca -0.02 0.28 0.14 0.00 -0.02 0.00 0.00 56.01 56.40 1g11 n LEU 22 Cb 0.59 -2.05 0.63 0.00 -1.62 0.00 0.00 43.42 40.96 1g11 n LEU 22 CO 0.08 -0.73 0.96 0.52 -1.22 0.00 0.00 177.39 177.01 1g11 n VAL 23 N -2.54 0.01 -0.01 4.08 0.31 -1.26 -2.05 118.33 116.87 1g11 n VAL 23 Ca -0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1g11 n VAL 23 Cb 0.44 -0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.09 0.00 5.55 4.39 -1.98 -1.34 114.58 121.11 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1g11 h GLU 24 Cb 0.48 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1g11 h GLU 24 CO 0.00 0.12 0.00 -0.35 -1.16 0.00 0.00 179.01 177.62 1g11 n PRO 25 N -4.82 0.14 -0.00 2.33 -0.04 -1.24 -1.37 135.00 130.00 1g11 n PRO 25 Ca -0.03 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1g11 n PRO 25 Cb 0.13 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.95 -0.29 0.52 2.07 -1.51 -2.85 116.25 115.13 1g11 h VAL 26 Ca 0.00 -2.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.05 1g11 h VAL 26 Cb 0.49 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1g11 h VAL 26 CO 0.00 0.70 -0.20 -0.29 0.02 0.00 0.00 177.57 177.80 1g11 h ILE 27 N -0.31 1.30 -0.61 4.57 6.09 -1.16 0.38 117.51 127.78 1g11 h ILE 27 Ca -0.33 -1.33 -0.02 0.00 -1.37 0.00 0.00 64.86 61.81 1g11 h ILE 27 Cb 1.76 1.52 -0.03 0.00 0.47 0.00 0.00 36.82 40.55 1g11 h ILE 27 CO 0.04 0.43 0.31 -0.08 -3.07 0.00 0.00 178.15 175.77 1g11 h GLU 28 N 0.40 0.86 -0.09 2.19 4.22 -1.38 -0.02 114.58 120.77 1g11 h GLU 28 Ca 0.06 -0.12 -0.16 0.00 0.08 0.00 0.00 59.36 59.22 1g11 h GLU 28 Cb 0.74 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1g11 h GLU 28 CO 0.05 0.68 -0.64 1.15 -2.18 0.00 0.00 179.01 178.07 1g11 h THR 29 N 0.83 1.38 0.00 0.32 2.02 -1.41 -2.45 112.91 113.59 1g11 h THR 29 Ca 0.21 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1g11 h THR 29 Cb 0.09 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1g11 h THR 29 CO -0.03 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.47 1g11 h ALA 30 N 1.08 1.00 0.16 6.16 0.00 0.26 -2.44 119.26 125.48 1g11 h ALA 30 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1g11 h ALA 30 Cb 1.17 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1g11 h ALA 30 CO 0.11 0.00 -1.62 0.93 0.00 0.00 0.00 179.25 178.66 1g11 h GLU 31 N 0.00 0.35 0.00 0.00 5.08 -0.55 -3.29 114.58 116.17 1g11 h GLU 31 Ca 0.00 -0.59 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 1g11 h GLU 31 Cb 0.45 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1g11 h GLU 31 CO 0.00 1.24 -0.24 -0.84 -1.00 0.00 0.00 179.01 178.17 1g11 h ILE 32 N 0.09 0.66 0.00 3.13 3.07 -1.18 -2.02 117.51 121.27 1g11 h ILE 32 Ca -0.29 -1.10 -0.03 0.00 1.55 0.00 0.00 64.86 64.99 1g11 h ILE 32 Cb 2.07 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 40.33 1g11 h ILE 32 CO 0.18 0.24 -0.16 -0.78 -1.05 0.00 0.00 178.15 176.59 1g11 h ASP 33 N 0.00 0.00 -2.24 2.16 1.82 -1.51 -3.44 116.42 113.21 1g11 h ASP 33 Ca -0.00 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.06 1g11 h ASP 33 Cb 0.69 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.57 1g11 h ASP 33 CO 0.03 0.16 -0.62 0.20 -1.61 0.00 0.00 179.24 177.40 1g11 s ASN 34 N -6.22 3.35 -0.49 2.28 0.02 -0.76 -5.01 114.94 108.09 1g11 s ASN 34 Ca -0.02 -1.34 -0.06 0.00 -1.02 0.00 0.00 52.86 50.43 1g11 s ASN 34 Cb 0.13 -0.29 -0.15 0.00 0.02 0.00 0.00 41.25 40.96 1g11 s ASN 34 CO 0.60 -0.45 2.71 -0.81 0.02 0.00 0.00 177.10 179.17 1g11 n PRO 35 N -0.84 2.03 -2.37 -0.60 -0.04 -1.26 -4.66 135.00 127.26 1g11 n PRO 35 Ca -0.04 -1.17 -0.41 0.00 -0.04 0.00 0.00 63.50 61.84 1g11 n PRO 35 Cb 0.66 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.96 1g11 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g11 n GLY 36 N 3.05 5.61 1.83 0.55 0.00 -1.22 -4.74 105.19 110.27 1g11 n GLY 36 Ca 0.43 -2.34 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 1.02 1.69 0.00 1.61 2.85 -1.26 -3.57 118.16 120.50 1g11 n LYS 37 Ca 0.52 -1.36 0.00 0.00 -1.05 0.00 0.00 58.31 56.42 1g11 n LYS 37 Cb 0.26 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.48 0.00 -3.24 -1.58 0.28 -1.26 -5.15 120.64 110.16 1g11 n GLU 38 Ca 0.26 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.92 1g11 n GLU 38 Cb 0.58 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.39 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 4.75 -0.20 3.84 -1.09 -1.23 -4.91 121.20 122.36 1g11 s ILE 39 Ca 0.00 0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1g11 s ILE 39 Cb 0.00 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1g11 s ILE 39 CO 0.00 0.03 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.81 1g11 s THR 40 N -1.72 1.19 0.36 2.92 2.01 -1.06 -5.02 115.64 114.31 1g11 s THR 40 Ca 0.46 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1g11 s THR 40 Cb -0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1g11 s THR 40 CO 0.19 -0.01 0.54 -0.69 -0.69 0.00 0.00 174.62 173.96 1g11 s VAL 41 N 1.58 4.45 -0.31 3.82 1.01 -1.26 -0.55 120.40 129.13 1g11 s VAL 41 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1g11 s VAL 41 Cb -0.17 -3.60 0.17 0.00 0.00 0.00 0.00 36.38 32.78 1g11 s VAL 41 CO -0.07 -0.33 0.46 -1.61 0.00 0.00 0.00 175.10 173.55 1g11 s GLU 42 N -4.30 0.51 -0.47 2.72 8.01 0.49 -4.96 118.70 120.71 1g11 s GLU 42 Ca 0.43 0.00 -0.29 0.00 0.01 0.00 0.00 54.97 55.13 1g11 s GLU 42 Cb -0.10 -0.24 0.02 0.00 -4.31 0.00 0.00 34.13 29.51 1g11 s GLU 42 CO 0.34 -1.08 1.24 -0.51 0.01 0.00 0.00 175.26 175.26 1g11 s ASP 43 N 2.35 6.51 -0.01 -0.19 1.01 -1.26 -2.34 116.67 122.74 1g11 s ASP 43 Ca 0.11 0.56 -0.00 0.00 0.71 0.00 0.00 52.55 53.93 1g11 s ASP 43 Cb -0.11 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.27 1g11 s ASP 43 CO -0.23 -1.34 -0.00 -0.09 0.21 0.00 0.00 175.17 173.71 1g11 h ARG 44 N 9.80 0.00 0.00 8.23 9.65 -1.92 -3.50 114.38 136.65 1g11 h ARG 44 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1g11 h ARG 44 Cb 1.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1g11 h ARG 44 CO 1.12 0.00 0.00 0.54 2.80 0.00 0.00 179.97 184.43 1g11 n ARG 45 N -2.26 0.00 0.06 0.20 5.12 -1.26 -4.94 116.66 113.58 1g11 n ARG 45 Ca -0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 1g11 n ARG 45 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 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 0.29 -2.33 7.54 0.00 -1.98 -3.47 119.26 119.32 1g11 h ALA 46 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 54.91 53.51 1g11 h ALA 46 Cb 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 1g11 h ALA 46 CO 0.00 1.16 -0.65 0.71 0.00 0.00 0.00 179.25 180.47 1g11 s TYR 47 N -2.62 1.21 -0.13 0.00 1.51 -1.26 -3.02 117.35 113.05 1g11 s TYR 47 Ca -0.09 -1.10 -0.05 0.00 -1.01 0.00 0.00 57.07 54.82 1g11 s TYR 47 Cb 0.07 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1g11 s TYR 47 CO 0.85 -0.31 0.06 0.08 -1.11 0.00 0.00 175.55 175.12 1g11 s VAL 48 N -3.76 4.77 -0.04 0.71 1.01 0.14 -3.22 120.40 120.00 1g11 s VAL 48 Ca 0.27 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1g11 s VAL 48 Cb 0.07 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1g11 s VAL 48 CO 0.06 0.56 -0.22 -0.60 0.00 0.00 0.00 175.10 174.90 1g11 s ARG 49 N -0.52 2.15 0.31 2.72 3.52 -0.99 -0.94 118.95 125.21 1g11 s ARG 49 Ca 0.10 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 1g11 s ARG 49 Cb -0.12 -1.89 -0.06 0.00 -1.56 0.00 0.00 34.95 31.32 1g11 s ARG 49 CO 0.02 0.36 0.02 0.42 -0.81 0.00 0.00 175.30 175.32 1g11 s ILE 50 N -0.19 1.32 -0.08 4.11 1.01 -1.03 -0.38 121.20 125.97 1g11 s ILE 50 Ca -0.01 -2.03 -0.03 0.00 0.00 0.00 0.00 60.65 58.58 1g11 s ILE 50 Cb -0.12 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.71 1g11 s ILE 50 CO 0.02 -0.11 0.17 0.00 0.00 0.00 0.00 174.94 175.03 1g11 s ALA 51 N -3.21 -0.33 0.13 9.38 0.00 0.29 -3.29 121.76 124.73 1g11 s ALA 51 Ca 0.34 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1g11 s ALA 51 Cb 0.07 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1g11 s ALA 51 CO 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 175.76 175.73 1g11 n ALA 52 N 4.34 0.18 -0.01 0.00 0.00 -0.86 -2.56 120.51 121.59 1g11 n ALA 52 Ca -0.24 -0.64 -0.19 0.00 0.00 0.00 0.00 53.44 52.37 1g11 n ALA 52 Cb 0.52 0.43 -0.14 0.00 0.00 0.00 0.00 19.45 20.26 1g11 n ALA 52 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1g11 h GLU 53 N 0.00 0.18 0.00 0.00 4.11 -1.87 -1.91 114.58 115.09 1g11 h GLU 53 Ca -0.10 -0.30 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1g11 h GLU 53 Cb 0.37 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1g11 h GLU 53 CO 0.16 1.15 0.00 0.41 0.07 0.00 0.00 179.01 180.79 1g11 n GLY 54 N 1.65 0.61 3.44 1.06 0.00 -1.26 -0.96 105.19 109.73 1g11 n GLY 54 Ca -0.19 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 3.64 0.27 1.61 -6.30 -1.26 -1.24 118.70 115.43 1g11 s GLU 55 Ca 0.00 -0.49 0.02 0.00 -2.50 0.00 0.00 54.97 52.01 1g11 s GLU 55 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 34.13 30.83 1g11 s GLU 55 CO 0.00 -0.14 0.16 -0.51 0.02 0.00 0.00 175.26 174.79 1g11 s LEU 56 N 1.45 1.54 -0.26 2.70 1.43 0.17 -4.97 118.68 120.75 1g11 s LEU 56 Ca 0.05 -1.51 -0.16 0.00 -1.03 0.00 0.00 54.13 51.48 1g11 s LEU 56 Cb -0.15 0.26 0.07 0.00 0.03 0.00 0.00 46.19 46.40 1g11 s LEU 56 CO 0.03 -0.87 0.64 -0.51 0.23 0.00 0.00 176.35 175.86 1g11 s ILE 57 N -3.75 -0.00 0.10 -0.59 -1.16 -1.26 -1.91 121.20 112.63 1g11 s ILE 57 Ca 0.37 0.01 0.03 0.00 -0.51 0.00 0.00 60.65 60.56 1g11 s ILE 57 Cb 0.06 -0.92 -0.04 0.00 0.61 0.00 0.00 42.46 42.17 1g11 s ILE 57 CO 0.17 0.01 -0.08 -0.76 -2.81 0.00 0.00 174.94 171.46 1g11 s LEU 58 N 1.32 2.47 0.00 8.50 1.43 -0.54 -4.78 118.68 127.09 1g11 s LEU 58 Ca -0.08 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1g11 s LEU 58 Cb -0.05 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1g11 s LEU 58 CO -0.14 -0.37 0.73 0.35 0.23 0.00 0.00 176.35 177.14 1g11 n THR 59 N 0.16 0.00 -1.15 5.49 -2.24 -1.26 -2.26 114.28 113.03 1g11 n THR 59 Ca -0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1g11 n THR 59 Cb 0.60 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.00 2.04 0.28 -0.78 5.12 -1.26 -4.49 116.66 117.57 1g11 n ARG 60 Ca 0.00 -1.68 0.19 0.00 -1.93 0.00 0.00 57.85 54.43 1g11 n ARG 60 Cb 0.60 -1.87 1.00 0.00 -1.16 0.00 0.00 32.46 31.03 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1g11 h LYS 61 N 2.39 0.00 -0.03 5.56 -0.00 -1.92 -1.13 116.57 121.44 1g11 h LYS 61 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.88 1g11 h LYS 61 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.18 1g11 h LYS 61 CO 0.66 0.00 -0.23 0.00 -0.00 0.00 0.00 179.45 179.88 1g11 h THR 62 N 0.00 1.49 -0.58 0.07 1.03 -1.96 0.29 112.91 113.24 1g11 h THR 62 Ca 0.00 -1.76 -0.07 0.00 -0.01 0.00 0.00 66.41 64.57 1g11 h THR 62 Cb 0.02 2.53 -0.02 0.00 -1.07 0.00 0.00 68.15 69.61 1g11 h THR 62 CO 0.00 0.49 0.06 0.25 -0.01 0.00 0.00 175.52 176.31 1g11 h LEU 63 N -0.38 0.92 -0.48 0.00 6.46 -1.62 0.21 115.31 120.42 1g11 h LEU 63 Ca -0.02 -0.22 -0.17 0.00 -0.12 0.00 0.00 57.88 57.35 1g11 h LEU 63 Cb 0.91 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1g11 h LEU 63 CO 0.05 0.94 -0.72 -0.33 -0.62 0.00 0.00 178.44 177.76 1g11 h GLU 64 N 0.90 0.26 -0.30 1.25 4.39 -1.33 -1.98 114.58 117.78 1g11 h GLU 64 Ca 0.18 -0.22 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 1g11 h GLU 64 Cb 0.44 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1g11 h GLU 64 CO 0.01 0.87 -0.53 0.93 -1.16 0.00 0.00 179.01 179.14 1g11 h GLU 65 N 0.18 0.87 -0.04 2.33 5.08 0.05 -3.23 114.58 119.82 1g11 h GLU 65 Ca -0.02 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1g11 h GLU 65 Cb 1.28 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1g11 h GLU 65 CO 0.11 1.18 0.00 1.96 -1.00 0.00 0.00 179.01 181.27 1g11 h GLN 66 N 0.67 0.07 -1.33 2.33 1.08 -0.56 0.89 115.11 118.26 1g11 h GLN 66 Ca 0.02 -0.02 0.39 0.00 -1.45 0.00 0.00 58.65 57.58 1g11 h GLN 66 Cb 1.14 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.51 1g11 h GLN 66 CO 0.12 0.33 1.15 -0.07 -0.95 0.00 0.00 178.83 179.41 1g11 h LEU 67 N -0.20 0.00 -5.16 1.46 3.38 -1.38 -2.57 115.31 110.84 1g11 h LEU 67 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1g11 h LEU 67 Cb 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.87 1g11 h LEU 67 CO 0.00 0.00 -0.57 0.61 0.09 0.00 0.00 178.44 178.57 1g11 n GLY 68 N -1.78 0.76 0.28 0.83 0.00 -0.92 -4.99 105.19 99.38 1g11 n GLY 68 Ca 0.30 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 3.52 0.60 -3.47 1.61 3.08 0.12 -3.00 114.38 116.84 1g11 h ARG 69 Ca -0.09 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.38 1g11 h ARG 69 Cb 1.04 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.98 1g11 h ARG 69 CO 0.27 0.40 3.04 -0.35 -1.07 0.00 0.00 179.97 182.27 1g11 n PRO 70 N -4.86 2.63 0.00 0.04 -0.04 -1.26 -4.71 135.00 126.80 1g11 n PRO 70 Ca 0.13 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1g11 n PRO 70 Cb 0.33 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 4.57 0.00 -3.16 0.54 -1.74 -1.14 -5.18 117.46 111.35 1g11 n PHE 71 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.46 1g11 n PHE 71 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 0.00 0.00 0.11 5.98 3.02 -1.26 -5.01 115.26 118.09 1g11 n ASN 72 Ca 0.00 -0.98 0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1g11 n ASN 72 Cb 0.00 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.21 -0.15 3.52 0.00 -1.26 -3.19 117.12 116.24 1g11 n MET 73 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 57.70 57.91 1g11 n MET 73 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.42 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 0.64 -0.24 3.17 4.15 -2.01 -2.19 115.11 118.63 1g11 h GLN 74 Ca 0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1g11 h GLN 74 Cb 0.54 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1g11 h GLN 74 CO 0.00 0.56 -0.02 0.93 -1.93 0.00 0.00 178.83 178.37 1g11 h GLU 75 N 0.57 0.36 -0.32 1.69 5.08 -1.96 -2.49 114.58 117.51 1g11 h GLU 75 Ca 0.15 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1g11 h GLU 75 Cb 0.13 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1g11 h GLU 75 CO -0.02 0.41 0.05 -0.07 -1.00 0.00 0.00 179.01 178.38 1g11 h LEU 76 N 0.35 -0.02 -1.74 1.33 -0.00 -1.51 1.48 115.31 115.21 1g11 h LEU 76 Ca 0.08 0.06 0.23 0.00 -0.00 0.00 0.00 57.88 58.25 1g11 h LEU 76 Cb 0.27 0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.96 1g11 h LEU 76 CO 0.01 0.03 0.62 -0.08 -0.00 0.00 0.00 178.44 179.01 1g11 h GLU 77 N 0.16 0.20 0.01 1.13 4.81 -1.23 0.32 114.58 119.98 1g11 h GLU 77 Ca 0.15 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 59.07 1g11 h GLU 77 Cb 0.18 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1g11 h GLU 77 CO -0.21 0.13 -1.70 -0.84 -0.73 0.00 0.00 179.01 175.66 1g11 h ILE 78 N 0.21 0.86 0.00 2.32 -0.00 -0.89 -3.39 117.51 116.61 1g11 h ILE 78 Ca 0.45 -2.70 -0.36 0.00 -0.00 0.00 0.00 64.86 62.26 1g11 h ILE 78 Cb 1.44 2.44 0.02 0.00 -0.00 0.00 0.00 36.82 40.72 1g11 h ILE 78 CO -0.10 0.53 2.45 0.59 -0.00 0.00 0.00 178.15 181.62 1g11 n ASN 79 N -3.09 4.38 -2.80 2.16 5.03 0.49 -4.29 115.26 117.14 1g11 n ASN 79 Ca -0.17 -2.31 -0.04 0.00 0.87 0.00 0.00 54.58 52.92 1g11 n ASN 79 Cb 1.05 -1.04 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 -1.83 0.00 0.00 177.26 173.95 1g11 s LEU 80 N 0.14 -1.37 0.28 3.41 0.05 -1.25 -4.49 118.68 115.44 1g11 s LEU 80 Ca 0.37 -1.74 0.02 0.00 0.05 0.00 0.00 54.13 52.84 1g11 s LEU 80 Cb 0.09 1.84 0.64 0.00 -2.05 0.00 0.00 46.19 46.72 1g11 s LEU 80 CO -0.02 -0.06 1.75 0.00 -0.55 0.00 0.00 176.35 177.47 1g11 h ALA 81 N 5.10 1.44 -1.69 1.48 0.00 -0.64 -3.46 119.26 121.48 1g11 h ALA 81 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1g11 h ALA 81 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g11 h ALA 81 CO 0.02 -0.14 0.01 0.43 0.00 0.00 0.00 179.25 179.57 1g11 n SER 82 N -4.88 -0.04 -3.53 0.00 7.64 0.15 -4.98 113.62 107.97 1g11 n SER 82 Ca 0.20 -1.02 -0.14 0.00 1.01 0.00 0.00 58.87 58.91 1g11 n SER 82 Cb 0.53 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 -6.60 -0.53 -0.17 1.43 0.08 -1.26 -2.20 117.98 108.72 1g11 s PHE 83 Ca 0.00 0.82 0.12 0.00 0.12 0.00 0.00 56.93 57.99 1g11 s PHE 83 Cb -0.00 0.45 -0.16 0.00 -0.57 0.00 0.00 43.02 42.73 1g11 s PHE 83 CO 0.00 -0.54 0.33 0.00 -0.10 0.00 0.00 175.22 174.90 1g11 n ALA 84 N 0.63 2.76 -2.99 5.36 0.00 -1.07 -4.93 120.51 120.27 1g11 n ALA 84 Ca -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1g11 n ALA 84 Cb 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 1.66 5.61 3.40 0.00 0.00 -1.26 -4.81 105.19 109.79 1g11 n GLY 85 Ca -0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 4.88 1.47 0.14 1.61 1.11 -1.15 -5.05 119.66 122.66 1g11 s GLN 86 Ca 0.00 -1.57 0.05 0.00 0.01 0.00 0.00 55.36 53.85 1g11 s GLN 86 Cb 0.00 -1.57 -0.04 0.00 -1.01 0.00 0.00 33.01 30.39 1g11 s GLN 86 CO 0.00 0.31 -0.11 -1.50 0.01 0.00 0.00 175.29 174.00 1g11 s ILE 87 N -2.20 1.17 0.20 1.08 2.07 -1.26 -2.42 121.20 119.83 1g11 s ILE 87 Ca 0.22 -1.94 -0.04 0.00 -1.41 0.00 0.00 60.65 57.48 1g11 s ILE 87 Cb -0.05 -1.72 -0.03 0.00 0.13 0.00 0.00 42.46 40.79 1g11 s ILE 87 CO 0.10 -0.66 0.22 -1.10 -1.91 0.00 0.00 174.94 171.59 1g11 s GLN 88 N -3.41 1.25 -0.09 3.50 -0.21 0.25 -4.98 119.66 115.97 1g11 s GLN 88 Ca 0.14 -1.48 -0.07 0.00 0.02 0.00 0.00 55.36 53.96 1g11 s GLN 88 Cb 0.00 0.32 0.03 0.00 1.00 0.00 0.00 33.01 34.36 1g11 s GLN 88 CO 0.01 -0.44 0.23 0.00 -2.12 0.00 0.00 175.29 172.97 1g11 s ALA 89 N -4.10 -0.56 0.56 6.09 0.00 -1.26 -1.81 121.76 120.68 1g11 s ALA 89 Ca 0.32 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1g11 s ALA 89 Cb 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1g11 s ALA 89 CO 0.09 -0.12 0.45 0.34 0.00 0.00 0.00 175.76 176.53 1g11 s ASP 90 N 0.29 4.65 0.20 0.00 2.15 0.15 -4.94 116.67 119.17 1g11 s ASP 90 Ca -0.01 -1.26 -0.01 0.00 0.43 0.00 0.00 52.55 51.70 1g11 s ASP 90 Cb -0.03 0.53 0.44 0.00 -0.30 0.00 0.00 42.92 43.56 1g11 s ASP 90 CO -0.01 -1.19 1.05 -1.84 -0.17 0.00 0.00 175.17 173.01 1g11 n GLU 91 N -1.85 -0.06 -2.88 4.34 0.28 -1.26 -2.66 120.64 116.54 1g11 n GLU 91 Ca -0.00 1.03 -0.12 0.00 -0.16 0.00 0.00 57.16 57.90 1g11 n GLU 91 Cb 0.64 -1.59 0.03 0.00 1.43 0.00 0.00 31.44 31.95 1g11 n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1g11 n ASP 92 N -4.98 -1.57 -3.63 -1.84 2.03 -1.26 -5.13 116.55 100.18 1g11 n ASP 92 Ca 0.14 -3.33 -0.01 0.00 0.52 0.00 0.00 54.79 52.11 1g11 n ASP 92 Cb 0.45 1.08 -0.01 0.00 -0.72 0.00 0.00 41.12 41.92 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g11 s GLN 93 N -0.31 0.55 -0.07 -0.67 1.03 -1.09 -4.75 119.66 114.35 1g11 s GLN 93 Ca 0.30 -0.28 -0.03 0.00 0.04 0.00 0.00 55.36 55.39 1g11 s GLN 93 Cb 0.27 0.20 0.04 0.00 0.03 0.00 0.00 33.01 33.55 1g11 s GLN 93 CO -0.12 -0.25 0.14 -1.50 -2.54 0.00 0.00 175.29 171.02 1g11 s ILE 94 N -2.63 -0.20 0.35 3.63 2.07 -0.96 0.32 121.20 123.78 1g11 s ILE 94 Ca 0.12 0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.75 1g11 s ILE 94 Cb 0.02 -0.26 -0.07 0.00 0.13 0.00 0.00 42.46 42.28 1g11 s ILE 94 CO -0.03 0.14 -0.01 0.00 -1.91 0.00 0.00 174.94 173.12 1g11 s ARG 95 N 2.03 1.76 0.15 3.50 3.03 -0.75 -1.46 118.95 127.20 1g11 s ARG 95 Ca 0.01 -1.95 0.06 0.00 2.03 0.00 0.00 55.73 55.87 1g11 s ARG 95 Cb -0.12 -1.34 -0.04 0.00 -1.03 0.00 0.00 34.95 32.42 1g11 s ARG 95 CO -0.05 -0.03 -0.13 -0.06 -1.13 0.00 0.00 175.30 173.90 1g11 s PHE 96 N -2.91 1.43 -0.28 5.89 0.40 -0.80 -0.58 117.98 121.12 1g11 s PHE 96 Ca 0.34 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 1g11 s PHE 96 Cb 0.07 -0.72 0.11 0.00 0.51 0.00 0.00 43.02 42.99 1g11 s PHE 96 CO 0.16 0.17 0.81 1.52 0.70 0.00 0.00 175.22 178.57 1g11 s TYR 97 N -2.63 -0.87 -0.08 0.36 1.13 -1.02 -0.65 117.35 113.60 1g11 s TYR 97 Ca 0.14 1.73 0.15 0.00 -1.41 0.00 0.00 57.07 57.67 1g11 s TYR 97 Cb -0.02 0.52 -0.20 0.00 -1.10 0.00 0.00 41.96 41.16 1g11 s TYR 97 CO 0.03 -0.43 0.70 0.34 -2.51 0.00 0.00 175.55 173.68 1g11 n PHE 98 N 4.10 0.95 -0.53 -3.49 -0.00 -0.37 -2.92 117.46 115.19 1g11 n PHE 98 Ca -0.19 0.33 -0.30 0.00 -0.00 0.00 0.00 57.45 57.29 1g11 n PHE 98 Cb 0.58 -1.14 0.23 0.00 -0.00 0.00 0.00 39.48 39.16 1g11 n PHE 98 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1g11 n ASP 99 N -2.96 -2.07 -0.93 -2.13 8.00 -1.26 -4.56 116.55 110.64 1g11 n ASP 99 Ca -0.15 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1g11 n ASP 99 Cb 0.97 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1g11 n ASP 99 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1g11 n LYS 100 N -4.02 0.17 -1.18 -1.24 -0.00 -1.26 -4.95 118.16 105.68 1g11 n LYS 100 Ca 0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.92 1g11 n LYS 100 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.58 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1g11 n THR 101 N 0.00 1.57 1.94 0.58 5.66 -1.26 -5.07 114.28 117.69 1g11 n THR 101 Ca 0.00 -0.43 0.16 0.00 -3.05 0.00 0.00 64.05 60.73 1g11 n THR 101 Cb 0.00 0.00 0.90 0.00 -1.55 0.00 0.00 70.33 69.68 1g11 n THR 101 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25