#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 4.18 0.26 0.44 -1.32 -1.26 -5.03 115.64 112.92 1g11 s THR 2 Ca 0.00 1.54 0.11 0.00 -1.21 0.00 0.00 61.69 62.13 1g11 s THR 2 Cb 0.00 -3.99 -0.05 0.00 -1.51 0.00 0.00 72.50 66.96 1g11 s THR 2 CO 0.00 0.04 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.08 1g11 s LEU 3 N 1.85 2.75 0.04 9.08 2.96 -1.26 -5.14 118.68 128.95 1g11 s LEU 3 Ca 0.57 -0.88 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1g11 s LEU 3 Cb -0.26 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1g11 s LEU 3 CO 0.25 0.04 -0.25 0.00 -1.32 0.00 0.00 176.35 175.07 1g11 s ALA 4 N -2.30 2.31 -0.06 5.97 0.00 -1.26 -5.13 121.76 121.29 1g11 s ALA 4 Ca 0.29 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1g11 s ALA 4 Cb -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1g11 s ALA 4 CO 0.16 0.54 0.19 -0.51 0.00 0.00 0.00 175.76 176.14 1g11 s ASP 5 N -1.23 6.43 0.00 0.00 1.01 -1.26 -5.10 116.67 116.52 1g11 s ASP 5 Ca 0.12 0.48 -0.03 0.00 0.71 0.00 0.00 52.55 53.83 1g11 s ASP 5 Cb -0.10 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1g11 s ASP 5 CO 0.02 0.34 0.06 -1.10 0.21 0.00 0.00 175.17 174.70 1g11 s GLN 6 N -1.39 0.33 0.00 8.23 -0.21 -1.26 -5.08 119.66 120.28 1g11 s GLN 6 Ca 0.21 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.21 1g11 s GLN 6 Cb -0.13 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.01 1g11 s GLN 6 CO 0.10 -0.07 0.00 0.00 -2.12 0.00 0.00 175.29 173.21 1g11 n ALA 7 N 1.86 0.00 -2.57 6.09 0.00 -1.26 -5.17 120.51 119.46 1g11 n ALA 7 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1g11 n ALA 7 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1g11 n ALA 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1g11 s LEU 8 N 0.00 2.40 0.20 0.00 0.05 -1.26 -5.05 118.68 115.02 1g11 s LEU 8 Ca 0.00 -1.47 0.00 0.00 0.05 0.00 0.00 54.13 52.71 1g11 s LEU 8 Cb 0.00 -0.57 0.00 0.00 -2.05 0.00 0.00 46.19 43.57 1g11 s LEU 8 CO 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 176.35 175.15 1g11 n HIS 9 N -0.91 -3.40 -2.59 3.48 1.44 -1.26 -4.93 115.22 107.05 1g11 n HIS 9 Ca -0.07 1.93 -0.05 0.00 -2.01 0.00 0.00 57.72 57.53 1g11 n HIS 9 Cb 0.67 -3.11 -0.04 0.00 0.12 0.00 0.00 29.99 27.63 1g11 n HIS 9 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1g11 n ASN 10 N 0.84 -2.05 0.00 4.39 2.85 -0.64 -4.97 115.26 115.67 1g11 n ASN 10 Ca 0.00 1.41 0.00 0.00 -0.11 0.00 0.00 54.58 55.88 1g11 n ASN 10 Cb 0.00 -5.02 0.00 0.00 1.24 0.00 0.00 39.78 36.00 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1g11 n ASN 11 N 1.80 0.00 -3.65 1.20 3.02 -1.20 -4.95 115.26 111.48 1g11 n ASN 11 Ca -0.34 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.15 1g11 n ASN 11 Cb 0.53 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.56 -0.88 0.75 6.41 4.22 -1.26 -0.73 114.94 124.01 1g11 s ASN 12 Ca 0.00 1.40 -0.03 0.00 -2.14 0.00 0.00 52.86 52.09 1g11 s ASN 12 Cb 0.00 1.50 0.13 0.00 1.28 0.00 0.00 41.25 44.16 1g11 s ASN 12 CO 0.00 -0.23 1.04 0.68 -2.04 0.00 0.00 177.10 176.55 1g11 s VAL 13 N 1.95 2.14 -0.37 3.54 -7.23 0.21 -4.75 120.40 115.88 1g11 s VAL 13 Ca -0.09 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1g11 s VAL 13 Cb -0.08 -2.66 0.26 0.00 0.56 0.00 0.00 36.38 34.46 1g11 s VAL 13 CO -0.18 0.00 1.13 0.61 -0.31 0.00 0.00 175.10 176.34 1g11 n GLY 14 N -2.97 -1.31 3.74 2.32 0.00 -1.26 -2.67 105.19 103.04 1g11 n GLY 14 Ca 0.14 0.82 -0.41 0.00 0.00 0.00 0.00 46.02 46.58 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 0.36 4.58 -0.00 1.61 0.04 -1.07 -1.24 135.00 139.28 1g11 s PRO 15 Ca 0.27 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1g11 s PRO 15 Cb 0.20 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1g11 s PRO 15 CO -0.12 0.04 -0.20 0.42 0.04 0.00 0.00 177.00 177.18 1g11 s ILE 16 N -0.17 1.57 0.04 0.56 -1.09 -0.12 -1.26 121.20 120.74 1g11 s ILE 16 Ca 0.50 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1g11 s ILE 16 Cb -0.30 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.27 1g11 s ILE 16 CO 0.35 0.40 0.07 2.30 -1.23 0.00 0.00 174.94 176.83 1g11 n ILE 17 N 2.46 0.00 -4.02 2.92 -5.35 -0.98 -1.88 119.36 112.50 1g11 n ILE 17 Ca -0.15 -0.16 -0.28 0.00 -0.27 0.00 0.00 62.75 61.89 1g11 n ILE 17 Cb 0.53 0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.50 1g11 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g11 s ARG 18 N -2.05 3.09 0.08 6.28 1.70 -1.26 -1.70 118.95 125.08 1g11 s ARG 18 Ca 0.03 -0.71 -0.31 0.00 -0.47 0.00 0.00 55.73 54.26 1g11 s ARG 18 Cb -0.00 -2.79 -0.07 0.00 -0.57 0.00 0.00 34.95 31.52 1g11 s ARG 18 CO 0.02 0.53 1.31 0.00 -1.08 0.00 0.00 175.30 176.07 1g11 s ALA 19 N -1.64 3.51 0.00 7.88 0.00 0.67 -4.39 121.76 127.79 1g11 s ALA 19 Ca 0.32 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1g11 s ALA 19 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1g11 s ALA 19 CO 0.25 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1g11 n GLY 20 N 3.39 -0.06 3.65 0.00 0.00 -1.26 -4.89 105.19 106.02 1g11 n GLY 20 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.47 -0.00 -1.49 1.61 -1.08 -1.26 -4.94 116.67 109.03 1g11 s ASP 21 Ca 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1g11 s ASP 21 Cb 0.00 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 1g11 s ASP 21 CO 0.00 -0.00 0.00 0.18 0.52 0.00 0.00 175.17 175.87 1g11 n LEU 22 N 2.37 -1.00 0.00 -1.34 4.77 -1.26 -4.83 117.00 115.71 1g11 n LEU 22 Ca -0.14 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1g11 n LEU 22 Cb 0.56 -2.13 0.61 0.00 -2.33 0.00 0.00 43.42 40.13 1g11 n LEU 22 CO 0.04 -0.76 0.95 0.52 -1.33 0.00 0.00 177.39 176.81 1g11 n VAL 23 N -2.57 0.09 -0.04 4.08 0.31 -1.26 -1.97 118.33 116.96 1g11 n VAL 23 Ca -0.14 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1g11 n VAL 23 Cb 0.47 -0.54 -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 -0.02 0.00 5.55 4.39 -1.98 -1.31 114.58 121.21 1g11 h GLU 24 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1g11 h GLU 24 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1g11 h GLU 24 CO 0.00 0.21 0.00 -0.35 -1.16 0.00 0.00 179.01 177.71 1g11 n PRO 25 N -4.76 0.06 -0.04 2.33 -0.04 -1.24 -1.52 135.00 129.79 1g11 n PRO 25 Ca -0.03 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 1g11 n PRO 25 Cb 0.12 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.77 -0.11 0.52 2.07 -1.50 -2.85 116.25 115.14 1g11 h VAL 26 Ca 0.00 -2.27 -0.10 0.00 0.82 0.00 0.00 66.70 65.15 1g11 h VAL 26 Cb 0.42 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1g11 h VAL 26 CO 0.00 0.64 -0.37 -0.29 0.02 0.00 0.00 177.57 177.56 1g11 h ILE 27 N -0.41 1.29 -0.13 4.57 6.09 -1.16 0.66 117.51 128.42 1g11 h ILE 27 Ca -0.39 -1.43 -0.19 0.00 -1.37 0.00 0.00 64.86 61.49 1g11 h ILE 27 Cb 1.71 1.62 0.01 0.00 0.47 0.00 0.00 36.82 40.64 1g11 h ILE 27 CO -0.04 0.43 -0.65 -0.08 -3.07 0.00 0.00 178.15 174.73 1g11 h GLU 28 N 0.20 0.67 0.00 2.19 4.22 -1.42 0.34 114.58 120.78 1g11 h GLU 28 Ca 0.02 -0.55 -0.08 0.00 0.08 0.00 0.00 59.36 58.83 1g11 h GLU 28 Cb 0.76 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1g11 h GLU 28 CO 0.06 1.16 -0.39 1.15 -2.18 0.00 0.00 179.01 178.82 1g11 h THR 29 N 0.35 0.72 0.06 0.32 2.02 -1.30 -2.55 112.91 112.53 1g11 h THR 29 Ca -0.04 -1.82 -0.24 0.00 0.77 0.00 0.00 66.41 65.08 1g11 h THR 29 Cb 1.29 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1g11 h THR 29 CO 0.13 0.38 -1.15 0.00 0.37 0.00 0.00 175.52 175.26 1g11 h ALA 30 N 1.61 0.25 -0.19 6.16 0.00 0.38 -2.83 119.26 124.64 1g11 h ALA 30 Ca -0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 1g11 h ALA 30 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1g11 h ALA 30 CO 0.05 1.14 -0.23 0.93 0.00 0.00 0.00 179.25 181.14 1g11 h GLU 31 N 0.03 0.50 -0.85 0.00 4.39 -0.86 -3.09 114.58 114.70 1g11 h GLU 31 Ca -0.08 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 1g11 h GLU 31 Cb 1.87 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.50 1g11 h GLU 31 CO 0.16 0.86 0.49 -0.84 -1.16 0.00 0.00 179.01 178.52 1g11 h ILE 32 N 0.16 1.24 -0.60 3.13 3.07 -1.54 -0.46 117.51 122.52 1g11 h ILE 32 Ca 0.03 -0.56 0.17 0.00 1.55 0.00 0.00 64.86 66.05 1g11 h ILE 32 Cb 0.79 0.08 -0.02 0.00 -0.27 0.00 0.00 36.82 37.39 1g11 h ILE 32 CO 0.06 0.26 0.53 -0.78 -1.05 0.00 0.00 178.15 177.16 1g11 h ASP 33 N 1.17 0.00 -2.62 2.16 3.58 -1.42 -3.40 116.42 115.90 1g11 h ASP 33 Ca 0.30 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 57.17 1g11 h ASP 33 Cb -0.01 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 40.93 1g11 h ASP 33 CO -0.05 0.00 -0.66 0.21 -2.88 0.00 0.00 179.24 175.86 1g11 s ASN 34 N -5.45 4.63 0.00 2.28 3.04 -0.18 -5.00 114.94 114.26 1g11 s ASN 34 Ca -0.05 -0.51 -0.04 0.00 0.04 0.00 0.00 52.86 52.30 1g11 s ASN 34 Cb 0.18 -0.92 -0.16 0.00 -1.54 0.00 0.00 41.25 38.81 1g11 s ASN 34 CO 0.64 0.05 2.57 -0.81 -3.04 0.00 0.00 177.10 176.51 1g11 n PRO 35 N -0.43 1.34 -2.34 0.43 -0.04 -1.26 -4.60 135.00 128.11 1g11 n PRO 35 Ca -0.09 -0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 62.37 1g11 n PRO 35 Cb 0.57 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.43 5.72 1.98 0.55 0.00 -1.25 -4.75 105.19 109.86 1g11 n GLY 36 Ca 0.26 -2.34 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 1g11 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g11 n LYS 37 N 0.76 1.84 0.00 1.61 4.01 -1.26 -3.52 118.16 121.59 1g11 n LYS 37 Ca 0.54 -1.46 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 1g11 n LYS 37 Cb 0.25 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1g11 n GLU 38 N 0.81 0.00 -3.60 1.97 0.28 -1.26 -5.15 120.64 113.69 1g11 n GLU 38 Ca 0.31 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.00 1g11 n GLU 38 Cb 0.59 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.41 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 5.10 -0.30 3.84 -1.09 -1.23 -4.72 121.20 122.81 1g11 s ILE 39 Ca 0.00 0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1g11 s ILE 39 Cb 0.00 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1g11 s ILE 39 CO 0.00 -0.01 0.02 -0.89 -1.23 0.00 0.00 174.94 172.84 1g11 s THR 40 N -1.72 3.33 0.04 2.92 2.01 -1.10 -5.02 115.64 116.11 1g11 s THR 40 Ca 0.43 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1g11 s THR 40 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1g11 s THR 40 CO 0.24 -0.02 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.37 1g11 s VAL 41 N 1.35 3.41 -0.50 3.82 1.01 -1.26 0.07 120.40 128.30 1g11 s VAL 41 Ca -0.02 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1g11 s VAL 41 Cb -0.18 -2.51 0.26 0.00 0.00 0.00 0.00 36.38 33.95 1g11 s VAL 41 CO -0.00 0.29 0.65 -0.62 0.00 0.00 0.00 175.10 175.42 1g11 n GLU 42 N 1.28 1.60 -2.70 2.72 -0.58 -0.29 -4.96 120.64 117.72 1g11 n GLU 42 Ca -0.15 -3.91 -0.42 0.00 -0.42 0.00 0.00 57.16 52.26 1g11 n GLU 42 Cb 0.52 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1g11 n GLU 42 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g11 s ASP 43 N -1.93 6.36 -0.11 1.62 1.01 -1.26 -2.64 116.67 119.73 1g11 s ASP 43 Ca 0.38 -0.19 -0.05 0.00 0.71 0.00 0.00 52.55 53.40 1g11 s ASP 43 Cb 0.18 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 1g11 s ASP 43 CO -0.07 -1.41 0.13 -0.09 0.21 0.00 0.00 175.17 173.94 1g11 h ARG 44 N 9.50 0.00 0.00 8.23 9.65 -1.94 -3.49 114.38 136.32 1g11 h ARG 44 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1g11 h ARG 44 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1g11 h ARG 44 CO 1.16 0.18 0.00 0.54 2.80 0.00 0.00 179.97 184.65 1g11 n ARG 45 N -4.75 0.00 0.03 0.20 1.74 -1.26 -4.94 116.66 107.69 1g11 n ARG 45 Ca -0.02 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 1g11 n ARG 45 Cb 0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.40 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 0.48 -1.78 7.54 0.00 -1.95 -3.43 119.26 120.13 1g11 h ALA 46 Ca 0.00 -1.14 -0.53 0.00 0.00 0.00 0.00 54.91 53.24 1g11 h ALA 46 Cb 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1g11 h ALA 46 CO 0.00 1.35 -0.59 0.71 0.00 0.00 0.00 179.25 180.72 1g11 s TYR 47 N -2.65 2.05 -0.26 0.00 2.02 -1.26 -0.23 117.35 117.02 1g11 s TYR 47 Ca -0.03 -0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 55.72 1g11 s TYR 47 Cb 0.09 -1.40 0.08 0.00 -0.40 0.00 0.00 41.96 40.33 1g11 s TYR 47 CO 0.83 0.08 0.05 0.08 -1.57 0.00 0.00 175.55 175.01 1g11 s VAL 48 N -3.13 0.90 0.10 0.71 1.01 -0.69 -3.30 120.40 115.99 1g11 s VAL 48 Ca 0.32 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1g11 s VAL 48 Cb 0.08 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1g11 s VAL 48 CO 0.15 -0.41 0.28 -0.60 0.00 0.00 0.00 175.10 174.52 1g11 s ARG 49 N 1.65 3.52 0.11 2.72 3.52 -1.08 -2.31 118.95 127.08 1g11 s ARG 49 Ca 0.03 -0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 55.29 1g11 s ARG 49 Cb -0.17 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1g11 s ARG 49 CO -0.15 0.55 0.17 0.42 -0.81 0.00 0.00 175.30 175.47 1g11 s ILE 50 N -1.57 0.13 0.05 4.11 1.01 -0.39 -1.13 121.20 123.40 1g11 s ILE 50 Ca 0.38 -1.42 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 1g11 s ILE 50 Cb -0.13 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.80 1g11 s ILE 50 CO 0.26 -0.58 0.57 0.00 0.00 0.00 0.00 174.94 175.20 1g11 s ALA 51 N -3.92 -1.48 0.01 9.38 0.00 0.11 -2.60 121.76 123.26 1g11 s ALA 51 Ca 0.11 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1g11 s ALA 51 Cb 0.05 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1g11 s ALA 51 CO -0.06 -0.53 0.16 0.00 0.00 0.00 0.00 175.76 175.33 1g11 s ALA 52 N -2.44 -0.35 -0.47 0.00 0.00 -1.09 -2.69 121.76 114.71 1g11 s ALA 52 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1g11 s ALA 52 Cb -0.01 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1g11 s ALA 52 CO -0.01 -0.25 2.80 0.39 0.00 0.00 0.00 175.76 178.68 1g11 n GLU 53 N 1.23 2.49 0.00 0.00 1.02 -1.26 -0.62 120.64 123.50 1g11 n GLU 53 Ca -0.22 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1g11 n GLU 53 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g11 n GLY 54 N 0.99 0.73 3.82 0.62 0.00 0.09 -4.73 105.19 106.71 1g11 n GLY 54 Ca 0.49 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 2.06 0.19 1.61 -1.05 -1.26 -2.59 118.70 117.66 1g11 s GLU 55 Ca 0.00 -1.30 -0.03 0.00 -0.15 0.00 0.00 54.97 53.49 1g11 s GLU 55 Cb 0.00 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 1g11 s GLU 55 CO 0.00 -0.96 0.29 1.28 0.95 0.00 0.00 175.26 176.82 1g11 n LEU 56 N -0.54 0.00 -3.70 1.83 4.77 0.26 -4.97 117.00 114.66 1g11 n LEU 56 Ca -0.07 -1.47 -0.11 0.00 -0.03 0.00 0.00 56.01 54.32 1g11 n LEU 56 Cb 0.60 1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 43.07 1g11 n LEU 56 CO 0.24 -0.37 -0.03 -0.51 -1.33 0.00 0.00 177.39 175.40 1g11 s ILE 57 N -2.61 -0.16 -0.03 -0.08 1.10 -1.26 -2.53 121.20 115.63 1g11 s ILE 57 Ca 0.14 0.14 0.07 0.00 -0.51 0.00 0.00 60.65 60.49 1g11 s ILE 57 Cb -0.01 -0.53 -0.02 0.00 0.15 0.00 0.00 42.46 42.06 1g11 s ILE 57 CO 0.10 0.06 -0.24 -0.76 -2.11 0.00 0.00 174.94 171.99 1g11 s LEU 58 N 1.65 2.04 0.00 8.50 1.43 -0.63 -4.84 118.68 126.83 1g11 s LEU 58 Ca -0.07 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1g11 s LEU 58 Cb -0.10 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1g11 s LEU 58 CO -0.11 0.28 0.56 0.35 0.23 0.00 0.00 176.35 177.66 1g11 n THR 59 N 2.62 0.26 -0.78 5.49 -2.24 -1.26 -0.65 114.28 117.71 1g11 n THR 59 Ca -0.16 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1g11 n THR 59 Cb 0.52 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.13 1.57 0.25 -0.78 5.12 -1.26 -4.42 116.66 117.01 1g11 n ARG 60 Ca 0.00 -1.10 0.18 0.00 -1.93 0.00 0.00 57.85 55.00 1g11 n ARG 60 Cb 0.38 -1.44 0.90 0.00 -1.16 0.00 0.00 32.46 31.14 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 1.36 0.00 -0.17 5.56 5.09 -1.88 0.12 116.57 126.66 1g11 h LYS 61 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.77 1g11 h LYS 61 Cb 0.94 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.27 1g11 h LYS 61 CO 0.53 0.00 -0.58 0.00 -2.09 0.00 0.00 179.45 177.31 1g11 h THR 62 N 0.00 1.31 -0.18 0.07 1.03 -1.92 0.41 112.91 113.64 1g11 h THR 62 Ca 0.05 -1.81 -0.08 0.00 -0.01 0.00 0.00 66.41 64.56 1g11 h THR 62 Cb 0.42 1.95 -0.01 0.00 -1.07 0.00 0.00 68.15 69.44 1g11 h THR 62 CO -0.00 0.57 -0.25 0.25 -0.01 0.00 0.00 175.52 176.08 1g11 h LEU 63 N 0.40 0.32 0.00 0.00 6.46 -1.16 0.40 115.31 121.73 1g11 h LEU 63 Ca -0.02 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1g11 h LEU 63 Cb 1.21 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1g11 h LEU 63 CO 0.12 0.58 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.65 1g11 h GLU 64 N 0.29 0.00 0.06 1.25 4.39 -1.20 -2.56 114.58 116.81 1g11 h GLU 64 Ca 0.05 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.47 1g11 h GLU 64 Cb 0.60 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1g11 h GLU 64 CO 0.04 0.06 -1.45 0.93 -1.16 0.00 0.00 179.01 177.44 1g11 h GLU 65 N 0.00 0.13 0.03 2.33 5.08 0.51 -3.35 114.58 119.31 1g11 h GLU 65 Ca -0.01 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1g11 h GLU 65 Cb 1.07 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1g11 h GLU 65 CO 0.01 0.95 -0.53 1.96 -1.00 0.00 0.00 179.01 180.39 1g11 h GLN 66 N 0.04 0.32 -1.03 2.33 4.20 -0.30 0.24 115.11 120.91 1g11 h GLN 66 Ca -0.20 -0.37 0.30 0.00 0.06 0.00 0.00 58.65 58.44 1g11 h GLN 66 Cb 1.95 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.81 1g11 h GLN 66 CO 0.13 1.08 1.00 -0.07 -0.67 0.00 0.00 178.83 180.30 1g11 h LEU 67 N -0.28 0.00 -5.26 1.46 3.38 -1.60 -2.56 115.31 110.44 1g11 h LEU 67 Ca -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 1g11 h LEU 67 Cb 1.29 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.83 1g11 h LEU 67 CO 0.10 0.00 -0.65 0.61 0.09 0.00 0.00 178.44 178.60 1g11 n GLY 68 N -1.69 1.08 0.29 0.83 0.00 -1.19 -4.98 105.19 99.52 1g11 n GLY 68 Ca 0.22 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 3.50 0.74 -3.49 1.61 3.08 -0.51 -3.06 114.38 116.25 1g11 h ARG 69 Ca -0.07 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.39 1g11 h ARG 69 Cb 1.03 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.93 1g11 h ARG 69 CO 0.30 0.49 3.04 -0.35 -1.07 0.00 0.00 179.97 182.37 1g11 n PRO 70 N -4.75 2.62 0.00 0.04 -0.04 -1.26 -4.72 135.00 126.88 1g11 n PRO 70 Ca 0.12 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1g11 n PRO 70 Cb 0.25 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.64 0.00 -2.06 0.54 -1.74 -1.16 -5.16 117.46 112.52 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 0.23 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.23 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 0.24 5.98 3.02 -1.26 -5.02 115.26 118.23 1g11 n ASN 72 Ca 0.00 -0.05 0.14 0.00 -0.03 0.00 0.00 54.58 54.64 1g11 n ASN 72 Cb 0.00 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.58 1g11 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g11 h MET 73 N 0.00 0.00 0.58 3.52 -0.00 -2.00 -3.28 114.93 113.75 1g11 h MET 73 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1g11 h MET 73 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1g11 h MET 73 CO 0.00 0.04 -0.43 0.37 -0.00 0.00 0.00 176.91 176.88 1g11 h GLN 74 N 0.00 -0.95 -0.97 -0.10 5.75 -1.99 -1.60 115.11 115.25 1g11 h GLN 74 Ca -0.00 0.06 0.25 0.00 -0.15 0.00 0.00 58.65 58.82 1g11 h GLN 74 Cb 0.79 0.22 -0.06 0.00 1.07 0.00 0.00 27.48 29.49 1g11 h GLN 74 CO 0.00 -0.63 0.66 0.93 -2.65 0.00 0.00 178.83 177.14 1g11 h GLU 75 N -0.99 0.23 0.11 1.69 5.08 -1.96 1.84 114.58 120.59 1g11 h GLU 75 Ca -0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1g11 h GLU 75 Cb 0.83 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1g11 h GLU 75 CO 0.02 0.15 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.98 1g11 h LEU 76 N 0.23 -0.35 0.00 1.33 4.07 -1.41 1.53 115.31 120.71 1g11 h LEU 76 Ca 0.50 0.04 -0.17 0.00 0.08 0.00 0.00 57.88 58.33 1g11 h LEU 76 Cb 1.55 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 43.39 1g11 h LEU 76 CO -0.14 -0.20 -0.85 1.05 -1.08 0.00 0.00 178.44 177.23 1g11 h GLU 77 N -0.28 0.00 0.29 1.13 -0.00 -0.33 -3.36 114.58 112.03 1g11 h GLU 77 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1g11 h GLU 77 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1g11 h GLU 77 CO -0.05 0.79 -0.14 0.82 -0.00 0.00 0.00 179.01 180.43 1g11 h ILE 78 N 0.00 0.00 -0.70 -1.06 2.04 0.31 -3.37 117.51 114.72 1g11 h ILE 78 Ca -0.02 -0.30 -0.40 0.00 1.00 0.00 0.00 64.86 65.13 1g11 h ILE 78 Cb 1.63 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1g11 h ILE 78 CO 0.10 0.00 1.17 0.20 0.00 0.00 0.00 178.15 179.62 1g11 s ASN 79 N -3.85 5.53 0.27 1.72 0.01 0.52 -4.82 114.94 114.32 1g11 s ASN 79 Ca -0.06 -1.39 -0.21 0.00 -0.71 0.00 0.00 52.86 50.49 1g11 s ASN 79 Cb 0.01 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.11 1g11 s ASN 79 CO 0.17 -2.48 0.73 -1.48 -1.51 0.00 0.00 177.10 172.53 1g11 s LEU 80 N 8.91 -0.25 0.00 0.60 2.34 -1.26 -4.55 118.68 124.46 1g11 s LEU 80 Ca 0.64 -0.60 0.00 0.00 0.06 0.00 0.00 54.13 54.23 1g11 s LEU 80 Cb -0.02 2.70 0.00 0.00 -0.56 0.00 0.00 46.19 48.31 1g11 s LEU 80 CO 0.04 -1.33 0.00 0.00 -1.06 0.00 0.00 176.35 174.00 1g11 n ALA 81 N -0.46 2.82 -3.00 1.48 0.00 -0.96 -4.60 120.51 115.79 1g11 n ALA 81 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1g11 n ALA 81 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1g11 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g11 n SER 82 N -2.23 0.00 -3.70 0.00 2.88 -0.79 -4.96 113.62 104.82 1g11 n SER 82 Ca 0.00 -0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.20 1g11 n SER 82 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1g11 n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1g11 s PHE 83 N -3.36 -0.18 -0.04 0.66 0.08 -1.26 -0.94 117.98 112.93 1g11 s PHE 83 Ca 0.00 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1g11 s PHE 83 Cb 0.00 0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 43.04 1g11 s PHE 83 CO 0.00 -0.78 -0.03 0.00 -0.10 0.00 0.00 175.22 174.31 1g11 n ALA 84 N -0.43 1.91 -2.81 5.36 0.00 -0.37 -4.89 120.51 119.28 1g11 n ALA 84 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1g11 n ALA 84 Cb 0.61 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 3.23 5.61 3.79 0.00 0.00 -1.26 -4.79 105.19 111.78 1g11 n GLY 85 Ca -0.08 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 1g11 n GLY 85 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g11 s GLN 86 N 1.87 2.54 0.03 1.61 2.00 0.35 -4.93 119.66 123.13 1g11 s GLN 86 Ca 0.00 -1.43 0.02 0.00 -2.00 0.00 0.00 55.36 51.94 1g11 s GLN 86 Cb 0.00 -2.32 -0.02 0.00 0.80 0.00 0.00 33.01 31.47 1g11 s GLN 86 CO 0.00 0.09 -0.06 0.96 -0.50 0.00 0.00 175.29 175.78 1g11 s ILE 87 N -2.37 0.40 0.02 -2.34 -4.36 -1.26 -1.99 121.20 109.31 1g11 s ILE 87 Ca 0.40 -0.80 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 1g11 s ILE 87 Cb -0.04 -0.45 -0.01 0.00 1.25 0.00 0.00 42.46 43.20 1g11 s ILE 87 CO 0.25 -0.28 0.05 -1.10 0.24 0.00 0.00 174.94 174.10 1g11 s GLN 88 N -1.16 0.47 -0.06 0.37 -0.21 -0.09 -5.02 119.66 113.96 1g11 s GLN 88 Ca -0.08 -0.67 0.03 0.00 0.02 0.00 0.00 55.36 54.67 1g11 s GLN 88 Cb -0.08 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1g11 s GLN 88 CO 0.00 -0.10 -0.16 0.00 -2.12 0.00 0.00 175.29 172.91 1g11 s ALA 89 N -2.06 1.48 0.40 6.09 0.00 -1.26 -0.06 121.76 126.36 1g11 s ALA 89 Ca -0.10 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1g11 s ALA 89 Cb -0.05 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.57 1g11 s ALA 89 CO -0.02 0.21 0.52 -3.47 0.00 0.00 0.00 175.76 173.00 1g11 n ASP 90 N 3.46 1.58 -0.24 0.00 -0.08 0.11 -4.91 116.55 116.47 1g11 n ASP 90 Ca -0.20 -2.11 0.11 0.00 -1.51 0.00 0.00 54.79 51.08 1g11 n ASP 90 Cb 0.53 -0.26 0.22 0.00 2.34 0.00 0.00 41.12 43.94 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 -1.81 -0.05 -2.80 -0.67 0.28 -1.26 -2.73 120.64 111.60 1g11 n GLU 91 Ca 0.10 1.04 -0.10 0.00 -0.16 0.00 0.00 57.16 58.03 1g11 n GLU 91 Cb 0.42 -1.66 0.07 0.00 1.43 0.00 0.00 31.44 31.70 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 -4.92 -1.90 -3.75 -1.84 8.00 -1.26 -5.13 116.55 105.75 1g11 n ASP 92 Ca 0.17 -3.60 -0.03 0.00 0.71 0.00 0.00 54.79 52.04 1g11 n ASP 92 Cb 0.56 1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 43.21 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 -0.11 1.19 -0.25 -1.24 -2.07 -1.10 -4.63 119.66 111.44 1g11 s GLN 93 Ca 0.25 -0.66 -0.03 0.00 -1.82 0.00 0.00 55.36 53.10 1g11 s GLN 93 Cb 0.30 0.40 0.10 0.00 -1.09 0.00 0.00 33.01 32.72 1g11 s GLN 93 CO -0.06 -0.54 0.19 -1.50 -1.32 0.00 0.00 175.29 172.06 1g11 s ILE 94 N -3.26 -0.23 -0.02 3.63 2.07 0.17 0.08 121.20 123.63 1g11 s ILE 94 Ca 0.12 -0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 1g11 s ILE 94 Cb -0.01 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 1g11 s ILE 94 CO 0.02 -0.44 0.34 0.00 -1.91 0.00 0.00 174.94 172.95 1g11 s ARG 95 N 2.24 3.78 0.08 3.50 3.03 0.91 -1.60 118.95 130.89 1g11 s ARG 95 Ca 0.07 0.25 0.09 0.00 2.03 0.00 0.00 55.73 58.17 1g11 s ARG 95 Cb -0.15 -3.19 -0.04 0.00 -1.03 0.00 0.00 34.95 30.54 1g11 s ARG 95 CO -0.24 0.70 -0.21 -0.06 -1.13 0.00 0.00 175.30 174.36 1g11 s PHE 96 N -1.10 2.46 -0.17 5.89 0.40 -1.05 -0.92 117.98 123.49 1g11 s PHE 96 Ca 0.22 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 1g11 s PHE 96 Cb -0.15 -1.37 0.14 0.00 0.51 0.00 0.00 43.02 42.14 1g11 s PHE 96 CO 0.11 0.29 1.07 1.52 0.70 0.00 0.00 175.22 178.91 1g11 s TYR 97 N -1.00 -0.29 -0.57 0.36 -0.85 -0.84 -0.57 117.35 113.59 1g11 s TYR 97 Ca 0.15 0.45 -0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1g11 s TYR 97 Cb -0.10 0.47 0.15 0.00 0.38 0.00 0.00 41.96 42.85 1g11 s TYR 97 CO 0.06 -0.29 0.38 0.12 -1.52 0.00 0.00 175.55 174.30 1g11 s PHE 98 N -1.33 3.44 -0.08 -3.49 5.36 -1.07 0.13 117.98 120.94 1g11 s PHE 98 Ca 0.02 -2.67 0.02 0.00 -0.96 0.00 0.00 56.93 53.34 1g11 s PHE 98 Cb -0.01 -3.19 0.01 0.00 -0.34 0.00 0.00 43.02 39.50 1g11 s PHE 98 CO -0.01 -0.87 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.23 1g11 s ASP 99 N 0.90 2.09 0.02 6.13 1.11 -1.26 -1.63 116.67 124.03 1g11 s ASP 99 Ca 0.15 -0.35 -0.11 0.00 0.18 0.00 0.00 52.55 52.42 1g11 s ASP 99 Cb -0.21 -0.95 -0.06 0.00 1.07 0.00 0.00 42.92 42.77 1g11 s ASP 99 CO -0.03 0.03 1.13 0.11 1.18 0.00 0.00 175.17 177.58 1g11 h LYS 100 N 7.14 -0.38 -5.72 8.23 1.57 -1.95 -3.41 116.57 122.06 1g11 h LYS 100 Ca -0.30 0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.91 1g11 h LYS 100 Cb 1.19 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.49 1g11 h LYS 100 CO 0.47 -0.25 0.32 -0.08 -0.57 0.00 0.00 179.45 179.34 1g11 s THR 101 N -3.79 4.91 -2.04 -0.16 -1.32 -1.26 -5.09 115.64 106.91 1g11 s THR 101 Ca -0.06 1.40 0.32 0.00 -1.21 0.00 0.00 61.69 62.14 1g11 s THR 101 Cb 0.01 -4.04 0.88 0.00 -1.51 0.00 0.00 72.50 67.84 1g11 s THR 101 CO 0.17 0.00 2.19 0.80 -2.21 0.00 0.00 174.62 175.58