#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 1.10 0.43 0.44 2.01 -1.26 -5.13 115.64 113.23 1g11 s THR 2 Ca 0.00 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1g11 s THR 2 Cb 0.00 -1.28 0.11 0.00 0.01 0.00 0.00 72.50 71.33 1g11 s THR 2 CO 0.00 0.12 0.24 0.00 -0.69 0.00 0.00 174.62 174.29 1g11 n LEU 3 N 4.88 0.00 -4.33 4.42 -0.00 -1.26 -5.06 117.00 115.65 1g11 n LEU 3 Ca -0.12 -0.25 -0.17 0.00 -0.00 0.00 0.00 56.01 55.48 1g11 n LEU 3 Cb 0.48 -0.30 -0.10 0.00 -0.00 0.00 0.00 43.42 43.50 1g11 n LEU 3 CO 0.16 -1.86 -0.27 0.00 -0.00 0.00 0.00 177.39 175.43 1g11 s ALA 4 N -2.03 1.80 1.08 1.47 0.00 -1.26 -5.16 121.76 117.66 1g11 s ALA 4 Ca 0.19 -1.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.11 1g11 s ALA 4 Cb -0.03 0.92 0.23 0.00 0.00 0.00 0.00 23.12 24.24 1g11 s ALA 4 CO 0.16 -0.41 1.17 0.16 0.00 0.00 0.00 175.76 176.84 1g11 s ASP 5 N -3.33 2.04 -0.04 0.00 -4.77 -1.26 -5.08 116.67 104.23 1g11 s ASP 5 Ca 0.36 0.62 -0.31 0.00 -3.30 0.00 0.00 52.55 49.92 1g11 s ASP 5 Cb 0.08 -0.89 0.12 0.00 -1.09 0.00 0.00 42.92 41.14 1g11 s ASP 5 CO 0.13 -3.43 1.30 0.00 0.70 0.00 0.00 175.17 173.87 1g11 s GLN 6 N -5.49 0.36 -0.14 2.11 -2.07 -1.26 -5.09 119.66 108.08 1g11 s GLN 6 Ca 0.70 -0.19 -0.01 0.00 -1.82 0.00 0.00 55.36 54.03 1g11 s GLN 6 Cb -0.09 0.12 0.01 0.00 -1.09 0.00 0.00 33.01 31.96 1g11 s GLN 6 CO 0.55 -0.16 0.03 0.00 -1.32 0.00 0.00 175.29 174.38 1g11 n ALA 7 N -0.46 -2.67 -0.82 2.60 0.00 -1.26 -4.97 120.51 112.93 1g11 n ALA 7 Ca -0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1g11 n ALA 7 Cb 0.63 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.25 1.88 -1.03 0.00 4.77 -1.26 -5.05 117.00 117.56 1g11 n LEU 8 Ca -0.05 0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 1g11 n LEU 8 Cb 0.27 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1g11 n LEU 8 CO 0.22 -0.09 -0.26 1.57 -1.33 0.00 0.00 177.39 177.50 1g11 n HIS 9 N -0.77 -2.63 -0.90 -1.77 -0.00 -1.26 -4.91 115.22 102.97 1g11 n HIS 9 Ca 0.00 1.35 0.00 0.00 0.46 0.00 0.00 57.72 59.53 1g11 n HIS 9 Cb 0.00 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 27.48 1g11 n HIS 9 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1g11 n ASN 10 N -3.56 -0.11 0.00 0.26 0.23 -1.26 -3.93 115.26 106.89 1g11 n ASN 10 Ca -0.01 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.13 1g11 n ASN 10 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1g11 n ASN 11 N -2.88 0.00 -3.72 0.53 4.13 -1.18 -4.95 115.26 107.18 1g11 n ASN 11 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 1g11 n ASN 11 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 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 1.85 -0.32 0.72 6.41 2.20 -1.26 0.14 114.94 124.68 1g11 s ASN 12 Ca 0.00 0.60 -0.02 0.00 -0.94 0.00 0.00 52.86 52.50 1g11 s ASN 12 Cb 0.00 0.49 0.12 0.00 -2.00 0.00 0.00 41.25 39.87 1g11 s ASN 12 CO 0.00 -0.17 0.83 1.33 -2.94 0.00 0.00 177.10 176.15 1g11 n VAL 13 N 4.14 0.00 -2.82 3.54 0.24 0.43 -4.71 118.33 119.15 1g11 n VAL 13 Ca -0.24 -1.15 0.03 0.00 -2.04 0.00 0.00 64.34 60.94 1g11 n VAL 13 Cb 0.54 -1.11 0.01 0.00 -1.47 0.00 0.00 33.84 31.80 1g11 n VAL 13 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1g11 s GLY 14 N -4.64 -1.43 -0.01 7.63 0.00 -1.24 -2.68 107.32 104.95 1g11 s GLY 14 Ca 0.53 1.55 -0.30 0.00 0.00 0.00 0.00 44.72 46.50 1g11 s GLY 14 CO 0.36 4.32 1.19 2.56 0.00 0.00 0.00 173.10 181.52 1g11 s PRO 15 N 2.18 4.40 -0.67 2.90 0.04 -1.14 0.61 135.00 143.31 1g11 s PRO 15 Ca 0.18 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 1g11 s PRO 15 Cb 0.03 -3.47 0.17 0.00 0.04 0.00 0.00 34.50 31.27 1g11 s PRO 15 CO -0.17 -0.35 0.50 0.42 0.04 0.00 0.00 177.00 177.44 1g11 s ILE 16 N 1.70 3.93 0.30 0.56 1.09 -1.04 -2.28 121.20 125.45 1g11 s ILE 16 Ca 0.57 -3.01 0.01 0.00 -1.10 0.00 0.00 60.65 57.12 1g11 s ILE 16 Cb -0.26 -3.53 0.01 0.00 -1.06 0.00 0.00 42.46 37.61 1g11 s ILE 16 CO 0.25 -0.91 0.10 2.30 -0.10 0.00 0.00 174.94 176.58 1g11 n ILE 17 N 3.42 0.00 -1.31 2.92 -5.35 -0.88 0.29 119.36 118.44 1g11 n ILE 17 Ca 0.10 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1g11 n ILE 17 Cb 0.38 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1g11 n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g11 n ARG 18 N -0.94 0.65 -3.99 6.28 1.74 -1.26 -1.15 116.66 117.98 1g11 n ARG 18 Ca -0.07 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.70 1g11 n ARG 18 Cb 0.36 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.65 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g11 s ALA 19 N -3.41 2.96 0.00 7.54 0.00 -0.18 -1.58 121.76 127.08 1g11 s ALA 19 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.26 1g11 s ALA 19 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1g11 s ALA 19 CO 0.00 -1.77 0.04 0.41 0.00 0.00 0.00 175.76 174.44 1g11 n GLY 20 N 3.98 0.75 3.65 0.00 0.00 -1.26 -4.85 105.19 107.46 1g11 n GLY 20 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.24 -0.01 -1.26 1.61 -1.08 -1.26 -4.94 116.67 108.49 1g11 s ASP 21 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1g11 s ASP 21 Cb 0.00 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 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 1.96 -0.76 0.01 -1.34 4.32 -1.26 -4.82 117.00 115.11 1g11 n LEU 22 Ca -0.12 0.29 0.13 0.00 -0.02 0.00 0.00 56.01 56.29 1g11 n LEU 22 Cb 0.57 -2.06 0.56 0.00 -1.62 0.00 0.00 43.42 40.86 1g11 n LEU 22 CO 0.03 -0.73 0.92 0.52 -1.22 0.00 0.00 177.39 176.91 1g11 n VAL 23 N -2.55 0.19 0.03 4.08 0.31 -1.26 -2.00 118.33 117.13 1g11 n VAL 23 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.17 1g11 n VAL 23 Cb 0.44 -0.58 -0.03 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 -0.18 0.00 5.55 3.07 -1.98 -0.94 114.58 120.10 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1g11 h GLU 24 Cb 0.49 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1g11 h GLU 24 CO 0.00 0.01 0.00 -0.35 -1.40 0.00 0.00 179.01 177.27 1g11 n PRO 25 N -4.89 0.09 0.01 2.33 -0.04 -1.24 -1.15 135.00 130.12 1g11 n PRO 25 Ca -0.04 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1g11 n PRO 25 Cb 0.13 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 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 -0.12 0.52 2.07 -1.49 -2.53 116.25 115.46 1g11 h VAL 26 Ca 0.00 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.96 1g11 h VAL 26 Cb 0.44 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1g11 h VAL 26 CO 0.00 0.81 -0.70 -0.29 0.02 0.00 0.00 177.57 177.41 1g11 h ILE 27 N -0.07 1.34 -0.07 4.57 6.09 -1.06 0.54 117.51 128.85 1g11 h ILE 27 Ca -0.38 -2.02 -0.17 0.00 -1.37 0.00 0.00 64.86 60.91 1g11 h ILE 27 Cb 1.94 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 41.23 1g11 h ILE 27 CO 0.08 0.62 -0.68 -0.08 -3.07 0.00 0.00 178.15 175.01 1g11 h GLU 28 N 0.38 0.33 0.00 2.19 4.81 -1.29 -1.52 114.58 119.48 1g11 h GLU 28 Ca -0.03 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1g11 h GLU 28 Cb 1.29 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1g11 h GLU 28 CO 0.13 0.89 -1.04 1.15 -0.73 0.00 0.00 179.01 179.41 1g11 h THR 29 N 0.23 1.18 0.00 0.32 2.02 -1.37 -2.85 112.91 112.44 1g11 h THR 29 Ca -0.02 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.37 1g11 h THR 29 Cb 1.23 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1g11 h THR 29 CO 0.11 0.67 0.00 0.00 0.37 0.00 0.00 175.52 176.67 1g11 h ALA 30 N 1.19 1.00 0.17 6.16 0.00 0.16 -2.81 119.26 125.13 1g11 h ALA 30 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.52 1g11 h ALA 30 Cb 1.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1g11 h ALA 30 CO 0.09 0.00 -1.54 0.93 0.00 0.00 0.00 179.25 178.74 1g11 h GLU 31 N 0.00 0.35 -0.48 0.00 4.39 -1.26 -3.33 114.58 114.26 1g11 h GLU 31 Ca 0.00 -0.60 -0.03 0.00 0.34 0.00 0.00 59.36 59.07 1g11 h GLU 31 Cb 0.82 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1g11 h GLU 31 CO 0.00 1.29 0.16 -0.84 -1.16 0.00 0.00 179.01 178.46 1g11 h ILE 32 N -0.07 1.19 -0.72 3.13 3.07 -1.50 -1.01 117.51 121.60 1g11 h ILE 32 Ca -0.31 -0.63 0.21 0.00 1.55 0.00 0.00 64.86 65.68 1g11 h ILE 32 Cb 1.95 0.65 -0.03 0.00 -0.27 0.00 0.00 36.82 39.13 1g11 h ILE 32 CO 0.14 0.24 0.72 -0.78 -1.05 0.00 0.00 178.15 177.43 1g11 h ASP 33 N 0.69 0.00 -1.60 2.16 3.58 -1.60 -3.40 116.42 116.24 1g11 h ASP 33 Ca 0.16 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.01 1g11 h ASP 33 Cb 0.19 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.13 1g11 h ASP 33 CO -0.01 0.00 -0.55 0.20 -2.88 0.00 0.00 179.24 175.99 1g11 s ASN 34 N -4.78 4.11 -0.51 2.28 0.02 -0.38 -5.01 114.94 110.67 1g11 s ASN 34 Ca -0.04 -1.26 -0.06 0.00 -1.02 0.00 0.00 52.86 50.49 1g11 s ASN 34 Cb 0.17 -0.41 -0.14 0.00 0.02 0.00 0.00 41.25 40.88 1g11 s ASN 34 CO 0.58 -0.50 2.68 -0.81 0.02 0.00 0.00 177.10 179.06 1g11 n PRO 35 N -1.09 2.02 -2.43 -0.60 -0.04 -1.26 -4.67 135.00 126.93 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 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 3.07 5.52 1.94 0.55 0.00 -1.24 -4.78 105.19 110.25 1g11 n GLY 36 Ca 0.43 -2.35 -0.13 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 1.22 1.76 0.00 1.61 0.00 -1.26 -3.41 118.16 118.08 1g11 n LYS 37 Ca 0.48 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.62 1g11 n LYS 37 Cb 0.28 -1.65 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 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 1.28 0.00 -3.00 -1.58 0.28 -1.26 -5.15 120.64 111.20 1g11 n GLU 38 Ca 0.29 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.96 1g11 n GLU 38 Cb 0.63 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.44 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 4.54 -0.21 3.84 -1.09 -1.22 -4.69 121.20 122.37 1g11 s ILE 39 Ca 0.00 1.22 -0.00 0.00 -2.23 0.00 0.00 60.65 59.64 1g11 s ILE 39 Cb 0.00 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1g11 s ILE 39 CO 0.00 -0.17 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.60 1g11 s THR 40 N -1.98 1.31 0.22 2.92 2.01 0.62 -5.03 115.64 115.72 1g11 s THR 40 Ca 0.55 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1g11 s THR 40 Cb -0.11 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1g11 s THR 40 CO 0.17 -0.05 0.29 -0.69 -0.69 0.00 0.00 174.62 173.65 1g11 s VAL 41 N 1.51 5.02 -0.42 3.82 1.01 -1.26 -0.06 120.40 130.02 1g11 s VAL 41 Ca -0.03 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1g11 s VAL 41 Cb -0.18 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.69 1g11 s VAL 41 CO -0.07 -0.27 0.43 -1.61 0.00 0.00 0.00 175.10 173.58 1g11 s GLU 42 N -3.74 0.82 -0.41 2.72 0.41 0.15 -4.95 118.70 113.69 1g11 s GLU 42 Ca 0.34 -1.37 -0.29 0.00 -0.41 0.00 0.00 54.97 53.23 1g11 s GLU 42 Cb -0.09 -0.85 0.02 0.00 -1.78 0.00 0.00 34.13 31.42 1g11 s GLU 42 CO 0.27 -1.29 1.27 -0.51 -0.49 0.00 0.00 175.26 174.51 1g11 s ASP 43 N 0.81 6.53 -0.11 -0.19 1.01 -1.26 -2.46 116.67 121.00 1g11 s ASP 43 Ca 0.25 0.76 -0.05 0.00 0.71 0.00 0.00 52.55 54.23 1g11 s ASP 43 Cb -0.06 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1g11 s ASP 43 CO -0.09 -1.28 0.07 -0.09 0.21 0.00 0.00 175.17 173.99 1g11 h ARG 44 N 9.78 0.00 0.00 8.23 9.65 -1.92 -3.50 114.38 136.62 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 1.09 0.13 0.00 0.54 2.80 0.00 0.00 179.97 184.53 1g11 n ARG 45 N -4.74 0.00 0.01 0.20 1.74 -1.26 -4.93 116.66 107.68 1g11 n ARG 45 Ca -0.02 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.86 1g11 n ARG 45 Cb 0.09 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.07 7.54 0.00 -1.96 -3.47 119.26 120.78 1g11 h ALA 46 Ca 0.00 -1.39 -0.61 0.00 0.00 0.00 0.00 54.91 52.91 1g11 h ALA 46 Cb 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1g11 h ALA 46 CO 0.00 1.35 -0.48 0.71 0.00 0.00 0.00 179.25 180.83 1g11 s TYR 47 N -2.57 2.20 -0.07 0.00 2.02 -1.26 -1.02 117.35 116.65 1g11 s TYR 47 Ca -0.18 -0.75 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 1g11 s TYR 47 Cb 0.07 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1g11 s TYR 47 CO 0.79 0.10 -0.18 0.08 -1.57 0.00 0.00 175.55 174.77 1g11 s VAL 48 N -2.73 1.53 -0.07 0.71 1.01 -0.30 -3.34 120.40 117.21 1g11 s VAL 48 Ca 0.29 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1g11 s VAL 48 Cb 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1g11 s VAL 48 CO 0.16 0.44 -0.18 -0.60 0.00 0.00 0.00 175.10 174.93 1g11 s ARG 49 N 0.35 2.23 0.24 2.72 3.52 -1.03 -2.07 118.95 124.92 1g11 s ARG 49 Ca -0.12 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 54.91 1g11 s ARG 49 Cb -0.15 -1.79 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1g11 s ARG 49 CO 0.05 0.14 -0.11 0.42 -0.81 0.00 0.00 175.30 174.99 1g11 s ILE 50 N 0.38 1.74 -0.20 4.11 1.01 -0.97 0.34 121.20 127.60 1g11 s ILE 50 Ca -0.13 -2.19 -0.27 0.00 0.00 0.00 0.00 60.65 58.05 1g11 s ILE 50 Cb -0.16 -2.22 0.10 0.00 0.01 0.00 0.00 42.46 40.19 1g11 s ILE 50 CO 0.05 -0.47 0.85 0.00 0.00 0.00 0.00 174.94 175.37 1g11 s ALA 51 N -2.97 -1.86 0.00 9.38 0.00 0.92 -2.90 121.76 124.33 1g11 s ALA 51 Ca 0.26 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1g11 s ALA 51 Cb 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1g11 s ALA 51 CO 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.54 1g11 n ALA 52 N 1.79 0.00 -0.97 0.00 0.00 -1.09 -0.27 120.51 119.97 1g11 n ALA 52 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1g11 n ALA 52 Cb 0.56 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.06 1g11 n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1g11 n GLU 53 N -0.00 -0.09 -1.25 0.00 1.02 -1.26 -0.43 120.64 118.63 1g11 n GLU 53 Ca 0.00 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.88 1g11 n GLU 53 Cb 0.00 -1.11 0.14 0.00 -0.02 0.00 0.00 31.44 30.45 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 3.24 5.13 2.74 0.62 0.00 0.36 -2.47 105.19 114.80 1g11 n GLY 54 Ca -0.01 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 1g11 n GLY 54 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g11 n GLU 55 N -1.04 0.55 -4.44 1.61 2.13 -1.25 -2.41 120.64 115.78 1g11 n GLU 55 Ca 0.56 -1.65 -0.30 0.00 0.66 0.00 0.00 57.16 56.43 1g11 n GLU 55 Cb 1.21 -1.17 -0.06 0.00 0.27 0.00 0.00 31.44 31.69 1g11 n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1g11 s LEU 56 N 0.16 2.51 -0.23 4.31 2.01 0.53 -5.01 118.68 122.95 1g11 s LEU 56 Ca 0.30 -1.47 -0.07 0.00 0.01 0.00 0.00 54.13 52.90 1g11 s LEU 56 Cb 0.13 -0.93 0.11 0.00 0.01 0.00 0.00 46.19 45.51 1g11 s LEU 56 CO -0.14 -0.88 0.48 -0.51 1.01 0.00 0.00 176.35 176.31 1g11 s ILE 57 N -2.82 -0.75 0.19 -0.59 -1.16 -1.26 -2.22 121.20 112.59 1g11 s ILE 57 Ca 0.18 0.09 0.06 0.00 -0.51 0.00 0.00 60.65 60.47 1g11 s ILE 57 Cb 0.01 -0.79 -0.04 0.00 0.61 0.00 0.00 42.46 42.26 1g11 s ILE 57 CO 0.11 0.02 0.12 -0.76 -2.81 0.00 0.00 174.94 171.63 1g11 s LEU 58 N 2.69 3.72 0.00 8.50 1.43 -0.75 -4.72 118.68 129.55 1g11 s LEU 58 Ca 0.01 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1g11 s LEU 58 Cb -0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1g11 s LEU 58 CO -0.15 0.05 0.69 0.35 0.23 0.00 0.00 176.35 177.52 1g11 n THR 59 N -0.49 0.00 -0.60 5.49 -2.24 -1.26 -2.33 114.28 112.84 1g11 n THR 59 Ca -0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1g11 n THR 59 Cb 0.55 0.40 0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1g11 n THR 59 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g11 n ARG 60 N 0.00 1.74 0.30 -0.78 3.00 -1.26 -4.39 116.66 115.27 1g11 n ARG 60 Ca 0.00 -1.53 0.17 0.00 -0.00 0.00 0.00 57.85 56.49 1g11 n ARG 60 Cb 0.60 -1.60 0.98 0.00 0.00 0.00 0.00 32.46 32.44 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 1.12 0.00 -0.14 -0.14 5.09 -1.90 -0.38 116.57 120.22 1g11 h LYS 61 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.86 1g11 h LYS 61 Cb 1.26 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.60 1g11 h LYS 61 CO 0.69 0.00 -0.60 0.00 -2.09 0.00 0.00 179.45 177.44 1g11 h THR 62 N 0.00 1.32 -0.49 0.07 1.03 -1.93 0.11 112.91 113.02 1g11 h THR 62 Ca 0.01 -1.86 -0.02 0.00 -0.01 0.00 0.00 66.41 64.53 1g11 h THR 62 Cb 0.06 2.04 -0.02 0.00 -1.07 0.00 0.00 68.15 69.16 1g11 h THR 62 CO -0.00 0.57 0.23 0.25 -0.01 0.00 0.00 175.52 176.56 1g11 h LEU 63 N 0.34 0.64 -0.44 0.00 6.46 -1.45 0.41 115.31 121.27 1g11 h LEU 63 Ca -0.03 -0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.44 1g11 h LEU 63 Cb 1.23 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 1g11 h LEU 63 CO 0.13 0.60 -0.35 -0.33 -0.62 0.00 0.00 178.44 177.86 1g11 h GLU 64 N 0.64 0.92 -0.61 1.25 5.08 -1.37 -1.45 114.58 119.03 1g11 h GLU 64 Ca 0.17 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1g11 h GLU 64 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1g11 h GLU 64 CO -0.02 1.12 0.06 0.93 -1.00 0.00 0.00 179.01 180.10 1g11 h GLU 65 N 0.76 1.01 -0.14 2.33 5.08 -0.43 -3.00 114.58 120.19 1g11 h GLU 65 Ca 0.07 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1g11 h GLU 65 Cb 0.94 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1g11 h GLU 65 CO 0.09 0.95 -0.00 1.96 -1.00 0.00 0.00 179.01 181.01 1g11 h GLN 66 N 0.94 0.25 -1.37 2.33 1.08 -0.07 0.55 115.11 118.81 1g11 h GLN 66 Ca 0.18 -0.08 0.40 0.00 -1.45 0.00 0.00 58.65 57.70 1g11 h GLN 66 Cb 0.46 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 1g11 h GLN 66 CO 0.02 0.48 1.16 -0.07 -0.95 0.00 0.00 178.83 179.47 1g11 h LEU 67 N -0.02 0.00 -5.20 1.46 3.38 -1.12 -2.56 115.31 111.26 1g11 h LEU 67 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 1g11 h LEU 67 Cb 0.37 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.93 1g11 h LEU 67 CO 0.01 0.00 -0.60 0.61 0.09 0.00 0.00 178.44 178.55 1g11 n GLY 68 N -1.79 0.87 0.28 0.83 0.00 -0.93 -4.99 105.19 99.46 1g11 n GLY 68 Ca 0.31 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 3.53 0.60 -3.47 1.61 3.08 0.53 -3.01 114.38 117.25 1g11 h ARG 69 Ca -0.08 -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 30.97 1g11 h ARG 69 CO 0.28 0.40 3.06 -0.35 -1.07 0.00 0.00 179.97 182.29 1g11 n PRO 70 N -4.86 2.65 0.00 0.04 -0.04 -1.26 -4.72 135.00 126.81 1g11 n PRO 70 Ca 0.13 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1g11 n PRO 70 Cb 0.31 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.58 0.00 -3.48 0.54 -1.74 -1.14 -5.19 117.46 111.03 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 0.22 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 0.05 5.98 3.02 -1.26 -5.05 115.26 117.99 1g11 n ASN 72 Ca 0.00 -0.59 -0.07 0.00 -0.03 0.00 0.00 54.58 53.89 1g11 n ASN 72 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1g11 n ASN 72 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1g11 h MET 73 N 0.00 0.00 -0.77 3.52 1.85 -2.00 -3.33 114.93 114.20 1g11 h MET 73 Ca 0.00 0.00 0.17 0.00 -0.61 0.00 0.00 59.70 59.26 1g11 h MET 73 Cb 0.00 0.00 -0.14 0.00 0.43 0.00 0.00 31.60 31.89 1g11 h MET 73 CO 0.00 0.88 -0.04 0.37 -0.40 0.00 0.00 176.91 177.72 1g11 h GLN 74 N 0.00 0.07 -1.04 0.39 4.15 -1.98 0.87 115.11 117.57 1g11 h GLN 74 Ca -0.07 -0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.62 1g11 h GLN 74 Cb 1.81 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 29.38 1g11 h GLN 74 CO 0.12 0.04 0.66 0.93 -1.93 0.00 0.00 178.83 178.66 1g11 h GLU 75 N 0.07 0.40 0.03 1.69 5.08 -1.97 1.66 114.58 121.54 1g11 h GLU 75 Ca 0.41 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1g11 h GLU 75 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1g11 h GLU 75 CO -0.71 0.27 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.48 1g11 h LEU 76 N 0.41 -0.03 0.00 1.33 3.38 0.56 1.51 115.31 122.48 1g11 h LEU 76 Ca 0.60 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1g11 h LEU 76 Cb 1.48 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1g11 h LEU 76 CO -0.32 0.10 0.00 1.21 0.09 0.00 0.00 178.44 179.52 1g11 n GLU 77 N -5.05 0.03 -0.07 1.13 2.13 0.79 -3.78 120.64 115.82 1g11 n GLU 77 Ca -0.08 0.03 -0.06 0.00 0.66 0.00 0.00 57.16 57.72 1g11 n GLU 77 Cb 0.10 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 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 -1.49 1.43 -0.92 6.31 5.41 0.53 -4.46 119.36 126.16 1g11 n ILE 78 Ca 0.07 0.20 -0.33 0.00 1.00 0.00 0.00 62.75 63.69 1g11 n ILE 78 Cb 0.31 -2.38 -0.04 0.00 -0.71 0.00 0.00 39.64 36.83 1g11 n ILE 78 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1g11 n ASN 79 N -4.60 3.33 -3.95 4.38 4.13 0.51 -4.74 115.26 114.32 1g11 n ASN 79 Ca -0.09 -2.51 -0.09 0.00 1.68 0.00 0.00 54.58 53.58 1g11 n ASN 79 Cb 0.30 -1.07 -0.07 0.00 -1.54 0.00 0.00 39.78 37.40 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1g11 s LEU 80 N 0.67 1.21 0.07 3.41 0.05 -1.26 -4.55 118.68 118.28 1g11 s LEU 80 Ca 0.48 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.83 1g11 s LEU 80 Cb 0.12 1.04 0.00 0.00 -2.05 0.00 0.00 46.19 45.30 1g11 s LEU 80 CO 0.06 -0.82 0.00 0.00 -0.55 0.00 0.00 176.35 175.04 1g11 n ALA 81 N -0.15 3.00 -3.00 1.48 0.00 -1.09 -4.84 120.51 115.92 1g11 n ALA 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1g11 n ALA 81 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.84 0.00 -3.64 0.00 2.88 0.14 -5.03 113.62 105.14 1g11 n SER 82 Ca 0.00 -0.91 -0.06 0.00 -1.33 0.00 0.00 58.87 56.57 1g11 n SER 82 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -2.42 -0.70 -0.38 0.66 0.08 -1.26 -2.50 117.98 111.46 1g11 s PHE 83 Ca 0.00 1.48 0.04 0.00 0.12 0.00 0.00 56.93 58.57 1g11 s PHE 83 Cb 0.00 0.42 0.57 0.00 -0.57 0.00 0.00 43.02 43.44 1g11 s PHE 83 CO 0.00 -0.34 1.75 0.00 -0.10 0.00 0.00 175.22 176.53 1g11 n ALA 84 N 3.43 4.97 -3.48 5.36 0.00 0.20 -4.93 120.51 126.06 1g11 n ALA 84 Ca -0.17 -2.35 0.10 0.00 0.00 0.00 0.00 53.44 51.01 1g11 n ALA 84 Cb 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.75 0.27 3.76 0.00 0.00 -1.26 -3.71 105.19 103.50 1g11 n GLY 85 Ca 0.48 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.24 -0.06 1.61 2.00 0.22 -4.95 119.66 119.72 1g11 s GLN 86 Ca 0.15 -0.29 0.06 0.00 -2.00 0.00 0.00 55.36 53.27 1g11 s GLN 86 Cb -0.00 -2.98 -0.01 0.00 0.80 0.00 0.00 33.01 30.82 1g11 s GLN 86 CO -0.01 0.70 -0.24 0.96 -0.50 0.00 0.00 175.29 176.20 1g11 s ILE 87 N -0.85 1.95 0.03 -2.34 -5.25 -1.26 -1.34 121.20 112.14 1g11 s ILE 87 Ca 0.13 -1.00 0.06 0.00 -0.99 0.00 0.00 60.65 58.86 1g11 s ILE 87 Cb -0.12 -1.65 -0.02 0.00 2.95 0.00 0.00 42.46 43.62 1g11 s ILE 87 CO 0.03 0.54 -0.18 0.00 -1.79 0.00 0.00 174.94 173.54 1g11 s GLN 88 N -0.06 1.27 -0.00 0.37 -2.07 -0.25 -5.01 119.66 113.91 1g11 s GLN 88 Ca -0.06 -0.84 0.05 0.00 -1.82 0.00 0.00 55.36 52.69 1g11 s GLN 88 Cb -0.14 -1.33 -0.03 0.00 -1.09 0.00 0.00 33.01 30.42 1g11 s GLN 88 CO 0.04 0.34 -0.15 0.00 -1.32 0.00 0.00 175.29 174.20 1g11 s ALA 89 N -0.75 2.66 0.27 2.60 0.00 -1.26 0.11 121.76 125.39 1g11 s ALA 89 Ca 0.06 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1g11 s ALA 89 Cb -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1g11 s ALA 89 CO 0.01 0.57 0.01 -0.25 0.00 0.00 0.00 175.76 176.11 1g11 n ASP 90 N 1.90 2.69 -0.20 0.00 8.00 0.16 -4.96 116.55 124.14 1g11 n ASP 90 Ca -0.16 -2.16 -0.05 0.00 0.71 0.00 0.00 54.79 53.12 1g11 n ASP 90 Cb 0.52 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1g11 n GLU 91 N -0.70 -0.21 -3.00 -1.24 0.28 -1.26 -2.90 120.64 111.61 1g11 n GLU 91 Ca -0.10 0.72 -0.15 0.00 -0.16 0.00 0.00 57.16 57.47 1g11 n GLU 91 Cb 0.34 -1.06 0.01 0.00 1.43 0.00 0.00 31.44 32.16 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 -4.60 -0.59 -3.66 -1.84 5.75 -1.26 -5.11 116.55 105.24 1g11 n ASP 92 Ca 0.01 -3.25 -0.01 0.00 -0.01 0.00 0.00 54.79 51.53 1g11 n ASP 92 Cb 0.13 0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 -1.17 0.81 -0.21 0.11 -2.07 -1.14 -4.72 119.66 111.27 1g11 s GLN 93 Ca 0.33 -0.46 -0.04 0.00 -1.82 0.00 0.00 55.36 53.37 1g11 s GLN 93 Cb 0.31 0.27 0.11 0.00 -1.09 0.00 0.00 33.01 32.60 1g11 s GLN 93 CO -0.08 -0.37 0.27 -1.50 -1.32 0.00 0.00 175.29 172.29 1g11 s ILE 94 N -2.70 -0.42 -0.03 3.63 2.07 -0.98 0.36 121.20 123.12 1g11 s ILE 94 Ca 0.15 -0.09 -0.14 0.00 -1.41 0.00 0.00 60.65 59.17 1g11 s ILE 94 Cb 0.01 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 1g11 s ILE 94 CO -0.00 -0.17 0.36 -0.13 -1.91 0.00 0.00 174.94 173.09 1g11 s ARG 95 N 2.40 3.86 0.01 3.50 3.00 0.12 -1.81 118.95 130.04 1g11 s ARG 95 Ca 0.09 0.32 0.03 0.00 0.00 0.00 0.00 55.73 56.16 1g11 s ARG 95 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 34.95 31.53 1g11 s ARG 95 CO -0.13 0.68 -0.05 -0.06 0.00 0.00 0.00 175.30 175.73 1g11 s PHE 96 N -0.98 2.92 -0.26 -0.53 0.40 -0.94 -1.09 117.98 117.49 1g11 s PHE 96 Ca 0.22 -0.03 -0.26 0.00 -0.60 0.00 0.00 56.93 56.26 1g11 s PHE 96 Cb -0.16 -1.60 0.14 0.00 0.51 0.00 0.00 43.02 41.91 1g11 s PHE 96 CO 0.11 0.40 1.12 1.52 0.70 0.00 0.00 175.22 179.07 1g11 s TYR 97 N -1.05 -0.36 -0.80 0.36 1.13 -0.45 -0.34 117.35 115.85 1g11 s TYR 97 Ca 0.18 0.82 -0.00 0.00 -1.41 0.00 0.00 57.07 56.66 1g11 s TYR 97 Cb -0.11 0.41 0.20 0.00 -1.10 0.00 0.00 41.96 41.35 1g11 s TYR 97 CO 0.09 -0.20 0.65 0.12 -2.51 0.00 0.00 175.55 173.70 1g11 s PHE 98 N -0.12 3.73 -0.09 -3.49 5.36 -1.01 0.72 117.98 123.08 1g11 s PHE 98 Ca 0.03 -3.07 -0.21 0.00 -0.96 0.00 0.00 56.93 52.73 1g11 s PHE 98 Cb -0.04 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.50 1g11 s PHE 98 CO -0.07 -0.71 0.59 -0.51 -1.46 0.00 0.00 175.22 173.07 1g11 s ASP 99 N -0.34 6.83 0.00 6.13 1.01 -1.26 -3.12 116.67 125.92 1g11 s ASP 99 Ca 0.25 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.51 1g11 s ASP 99 Cb -0.09 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1g11 s ASP 99 CO -0.12 -0.05 0.38 0.29 0.21 0.00 0.00 175.17 175.88 1g11 n LYS 100 N 3.71 0.00 -1.78 8.23 5.02 -1.25 -4.78 118.16 127.31 1g11 n LYS 100 Ca -0.04 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1g11 n LYS 100 Cb 0.51 -0.88 0.05 0.00 -0.02 0.00 0.00 35.03 34.69 1g11 n LYS 100 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1g11 s THR 101 N -0.76 3.73 0.00 -0.18 -1.32 -1.26 -5.14 115.64 110.71 1g11 s THR 101 Ca 0.00 0.56 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1g11 s THR 101 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 1g11 s THR 101 CO 0.00 -0.73 0.00 0.80 -2.21 0.00 0.00 174.62 172.48