#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6u s SER 2 N 0.00 1.88 0.04 6.43 1.04 -1.26 -5.16 113.70 116.68 1l6u s SER 2 Ca 0.00 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.56 1l6u s SER 2 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1l6u s SER 2 CO 0.00 -0.24 -0.12 -0.44 0.98 0.00 0.00 173.24 173.41 1l6u s SER 3 N -2.84 1.46 0.23 7.02 0.01 -1.26 -5.16 113.70 113.17 1l6u s SER 3 Ca 0.13 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 56.96 1l6u s SER 3 Cb -0.01 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1l6u s SER 3 CO 0.02 -0.03 -0.08 -0.70 0.41 0.00 0.00 173.24 172.86 1l6u s GLU 4 N -1.28 1.38 0.18 12.44 2.12 -1.26 -5.16 118.70 127.12 1l6u s GLU 4 Ca -0.01 -1.66 0.09 0.00 0.36 0.00 0.00 54.97 53.75 1l6u s GLU 4 Cb -0.08 -0.97 -0.04 0.00 0.26 0.00 0.00 34.13 33.30 1l6u s GLU 4 CO 0.01 0.06 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.10 1l6u s ASP 5 N -3.34 2.84 -0.29 -1.70 1.01 -1.26 -5.14 116.67 108.79 1l6u s ASP 5 Ca 0.25 -0.90 -0.21 0.00 0.71 0.00 0.00 52.55 52.40 1l6u s ASP 5 Cb 0.03 -0.18 0.17 0.00 1.01 0.00 0.00 42.92 43.94 1l6u s ASP 5 CO 0.08 -0.02 1.20 -1.59 0.21 0.00 0.00 175.17 175.05 1l6u s LYS 6 N -2.94 0.24 0.46 8.23 0.00 -1.26 -4.66 119.74 119.81 1l6u s LYS 6 Ca 0.18 0.33 0.05 0.00 0.00 0.00 0.00 55.97 56.53 1l6u s LYS 6 Cb -0.05 0.09 0.05 0.00 0.00 0.00 0.00 37.83 37.92 1l6u s LYS 6 CO 0.08 -0.04 0.38 0.44 0.00 0.00 0.00 175.35 176.21 1l6u n ILE 7 N 2.47 0.00 -5.09 3.79 -5.35 0.36 -4.91 119.36 110.62 1l6u n ILE 7 Ca -0.14 -1.77 -0.32 0.00 -0.27 0.00 0.00 62.75 60.25 1l6u n ILE 7 Cb 0.57 -0.18 -0.15 0.00 -1.74 0.00 0.00 39.64 38.14 1l6u n ILE 7 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1l6u s THR 8 N -2.21 2.47 -0.02 7.28 2.01 -1.26 -0.92 115.64 122.99 1l6u s THR 8 Ca 0.29 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1l6u s THR 8 Cb -0.02 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 1l6u s THR 8 CO 0.18 0.57 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.88 1l6u s VAL 9 N -0.24 0.93 0.00 3.82 1.01 0.72 0.16 120.40 126.80 1l6u s VAL 9 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1l6u s VAL 9 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1l6u s VAL 9 CO 0.03 0.27 -0.12 -1.00 0.00 0.00 0.00 175.10 174.28 1l6u s HIS 10 N -0.03 2.73 -0.07 5.22 3.76 0.59 0.82 115.29 128.31 1l6u s HIS 10 Ca 0.00 -0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1l6u s HIS 10 Cb -0.07 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 32.08 1l6u s HIS 10 CO 0.00 0.29 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.09 1l6u s PHE 11 N -0.91 0.85 -0.60 1.40 0.40 0.76 0.44 117.98 120.33 1l6u s PHE 11 Ca 0.15 -0.28 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 1l6u s PHE 11 Cb -0.11 -0.82 0.09 0.00 0.51 0.00 0.00 43.02 42.69 1l6u s PHE 11 CO 0.05 -0.30 0.78 0.42 0.70 0.00 0.00 175.22 176.87 1l6u s ILE 12 N 1.43 4.67 0.36 0.64 1.01 0.58 0.26 121.20 130.15 1l6u s ILE 12 Ca -0.03 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 1l6u s ILE 12 Cb -0.13 -4.53 -0.12 0.00 0.01 0.00 0.00 42.46 37.69 1l6u s ILE 12 CO -0.03 -1.18 1.31 -3.20 0.00 0.00 0.00 174.94 171.84 1l6u n ASN 13 N 6.75 2.87 -0.13 3.58 2.85 0.32 -0.47 115.26 131.03 1l6u n ASN 13 Ca -0.07 1.20 0.27 0.00 -0.11 0.00 0.00 54.58 55.87 1l6u n ASN 13 Cb 0.44 -1.50 0.64 0.00 1.24 0.00 0.00 39.78 40.59 1l6u n ASN 13 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1l6u h ARG 14 N 2.54 0.00 -0.53 1.20 0.11 -1.82 1.60 114.38 117.47 1l6u h ARG 14 Ca -0.47 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 1l6u h ARG 14 Cb 1.28 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.33 1l6u h ARG 14 CO 0.62 0.00 0.20 0.22 0.10 0.00 0.00 179.97 181.11 1l6u h ASP 15 N 0.00 0.71 0.00 0.08 3.58 -1.86 -3.46 116.42 115.46 1l6u h ASP 15 Ca 0.40 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1l6u h ASP 15 Cb 2.10 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1l6u h ASP 15 CO -0.00 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.61 1l6u n GLY 16 N -1.05 1.28 3.83 -0.78 0.00 0.54 -5.12 105.19 103.88 1l6u n GLY 16 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1l6u n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l6u s GLU 17 N 0.00 3.33 -0.16 1.61 -1.05 -1.22 -4.76 118.70 116.46 1l6u s GLU 17 Ca 0.00 0.97 -0.01 0.00 -0.15 0.00 0.00 54.97 55.78 1l6u s GLU 17 Cb 0.00 -2.04 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 1l6u s GLU 17 CO 0.00 -0.78 -0.10 0.99 0.95 0.00 0.00 175.26 176.31 1l6u s THR 18 N -2.86 3.16 -0.01 1.83 2.01 -1.26 0.12 115.64 118.63 1l6u s THR 18 Ca 0.59 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1l6u s THR 18 Cb -0.13 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1l6u s THR 18 CO 0.46 0.50 0.19 -0.76 -0.69 0.00 0.00 174.62 174.32 1l6u s LEU 19 N 0.66 4.37 -0.24 4.42 2.01 0.72 -4.90 118.68 125.72 1l6u s LEU 19 Ca -0.06 0.36 0.02 0.00 0.01 0.00 0.00 54.13 54.46 1l6u s LEU 19 Cb -0.15 -2.61 0.05 0.00 0.01 0.00 0.00 46.19 43.49 1l6u s LEU 19 CO 0.02 0.27 -0.12 -0.89 1.01 0.00 0.00 176.35 176.64 1l6u s THR 20 N -1.32 2.28 0.28 5.49 2.01 -1.26 -0.17 115.64 122.95 1l6u s THR 20 Ca 0.27 -1.40 0.04 0.00 0.31 0.00 0.00 61.69 60.91 1l6u s THR 20 Cb -0.13 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 1l6u s THR 20 CO 0.18 0.12 0.02 0.28 -0.69 0.00 0.00 174.62 174.53 1l6u s THR 21 N 1.18 1.17 -0.07 -0.82 -1.32 0.24 -4.98 115.64 111.03 1l6u s THR 21 Ca -0.05 -2.03 0.02 0.00 -1.21 0.00 0.00 61.69 58.42 1l6u s THR 21 Cb -0.18 -2.57 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1l6u s THR 21 CO -0.06 -0.16 -0.11 -1.59 -2.21 0.00 0.00 174.62 170.48 1l6u s LYS 22 N -3.86 1.62 0.09 7.08 -2.85 -1.26 0.26 119.74 120.82 1l6u s LYS 22 Ca 0.33 -0.37 0.09 0.00 -1.00 0.00 0.00 55.97 55.02 1l6u s LYS 22 Cb 0.07 -1.41 -0.03 0.00 -2.06 0.00 0.00 37.83 34.39 1l6u s LYS 22 CO 0.12 -0.04 -0.23 0.20 0.10 0.00 0.00 175.35 175.50 1l6u s GLY 23 N 0.89 1.34 -0.44 0.59 0.00 -0.10 -4.85 107.32 104.74 1l6u s GLY 23 Ca -0.10 -1.28 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 1l6u s GLY 23 CO 0.01 -1.25 0.53 -1.59 0.00 0.00 0.00 173.10 170.81 1l6u s LYS 24 N -1.73 3.15 -0.73 2.90 -2.85 -1.26 0.13 119.74 119.35 1l6u s LYS 24 Ca 0.09 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.97 54.18 1l6u s LYS 24 Cb -0.10 -3.99 -0.17 0.00 -2.06 0.00 0.00 37.83 31.51 1l6u s LYS 24 CO 0.04 -0.97 1.93 1.51 0.10 0.00 0.00 175.35 177.96 1l6u n ILE 25 N 5.60 0.00 0.00 3.79 3.06 -1.26 0.41 119.36 130.96 1l6u n ILE 25 Ca -0.05 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1l6u n ILE 25 Cb 0.47 -0.33 0.00 0.00 0.54 0.00 0.00 39.64 40.32 1l6u n ILE 25 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1l6u n GLY 26 N 4.67 0.85 3.78 4.50 0.00 -1.00 -4.89 105.19 113.11 1l6u n GLY 26 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 1l6u n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l6u s ASP 27 N -0.43 6.63 -0.64 1.61 3.68 0.17 -4.74 116.67 122.94 1l6u s ASP 27 Ca 0.00 0.74 -0.28 0.00 2.13 0.00 0.00 52.55 55.15 1l6u s ASP 27 Cb 0.00 -2.22 -0.12 0.00 -1.45 0.00 0.00 42.92 39.14 1l6u s ASP 27 CO 0.00 0.19 2.50 -1.20 0.13 0.00 0.00 175.17 176.80 1l6u n SER 28 N 2.77 1.71 0.04 -0.34 7.64 -1.26 -2.58 113.62 121.60 1l6u n SER 28 Ca -0.12 -0.31 0.21 0.00 1.01 0.00 0.00 58.87 59.66 1l6u n SER 28 Cb 0.52 -1.39 0.62 0.00 -1.01 0.00 0.00 64.21 62.96 1l6u n SER 28 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1l6u h LEU 29 N 17.38 0.00 -1.07 -3.43 -0.00 -1.87 1.91 115.31 128.23 1l6u h LEU 29 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.62 1l6u h LEU 29 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1l6u h LEU 29 CO 1.23 0.00 -0.18 0.25 -0.00 0.00 0.00 178.44 179.74 1l6u h LEU 30 N 0.00 0.43 0.13 0.17 5.85 -1.79 -2.69 115.31 117.42 1l6u h LEU 30 Ca 0.25 -0.12 -0.29 0.00 0.84 0.00 0.00 57.88 58.56 1l6u h LEU 30 Cb 1.63 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1l6u h LEU 30 CO -0.00 0.64 -1.34 0.44 -0.34 0.00 0.00 178.44 177.83 1l6u h ASP 31 N 0.40 0.43 -0.97 1.25 5.19 0.26 -3.26 116.42 119.73 1l6u h ASP 31 Ca 0.07 -0.50 0.25 0.00 -0.62 0.00 0.00 57.03 56.23 1l6u h ASP 31 Cb 0.56 -0.14 -0.18 0.00 0.18 0.00 0.00 39.33 39.74 1l6u h ASP 31 CO 0.04 1.40 -0.06 0.52 -3.12 0.00 0.00 179.24 178.01 1l6u n VAL 32 N -3.52 -0.41 -0.06 -1.35 0.31 -0.57 0.21 118.33 112.95 1l6u n VAL 32 Ca -0.11 2.17 -0.13 0.00 -0.01 0.00 0.00 64.34 66.26 1l6u n VAL 32 Cb 1.03 -3.11 -0.06 0.00 -0.91 0.00 0.00 33.84 30.79 1l6u n VAL 32 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1l6u h VAL 33 N 0.00 1.32 -0.57 2.52 2.07 -1.64 0.00 116.25 119.95 1l6u h VAL 33 Ca 0.55 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1l6u h VAL 33 Cb 1.06 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 1l6u h VAL 33 CO -0.94 0.35 0.26 0.58 0.02 0.00 0.00 177.57 177.84 1l6u h VAL 34 N 0.03 0.87 -0.12 2.57 2.07 0.14 0.35 116.25 122.14 1l6u h VAL 34 Ca 0.03 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1l6u h VAL 34 Cb 0.60 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1l6u h VAL 34 CO 0.03 0.09 -0.29 1.56 0.02 0.00 0.00 177.57 178.97 1l6u h GLN 35 N 0.47 0.23 0.00 1.57 1.08 0.26 -1.76 115.11 116.96 1l6u h GLN 35 Ca 0.27 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1l6u h GLN 35 Cb 0.26 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1l6u h GLN 35 CO -0.23 0.51 -0.25 -0.97 -0.95 0.00 0.00 178.83 176.94 1l6u h ASN 36 N 0.21 0.00 -4.75 1.46 -0.73 0.11 -3.47 115.58 108.40 1l6u h ASN 36 Ca 0.03 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.92 1l6u h ASN 36 Cb 0.63 0.00 0.12 0.00 0.27 0.00 0.00 38.32 39.34 1l6u h ASN 36 CO 0.05 0.25 -0.56 -3.20 -0.37 0.00 0.00 177.43 173.60 1l6u n ASN 37 N -3.37 -3.52 -4.93 1.15 5.15 0.10 -5.01 115.26 104.84 1l6u n ASN 37 Ca 0.00 -0.45 -0.26 0.00 -0.60 0.00 0.00 54.58 53.28 1l6u n ASN 37 Cb 0.47 -4.01 -0.02 0.00 -0.53 0.00 0.00 39.78 35.69 1l6u n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1l6u s LEU 38 N -5.56 4.05 -1.19 1.20 1.43 -1.15 -5.02 118.68 112.45 1l6u s LEU 38 Ca 0.20 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 1l6u s LEU 38 Cb -0.09 -3.36 0.19 0.00 0.03 0.00 0.00 46.19 42.96 1l6u s LEU 38 CO 0.56 -0.24 1.38 -0.62 0.23 0.00 0.00 176.35 177.66 1l6u s ASP 39 N -3.67 7.11 0.28 2.29 2.15 -1.26 -4.92 116.67 118.65 1l6u s ASP 39 Ca 0.41 -3.08 0.03 0.00 0.43 0.00 0.00 52.55 50.33 1l6u s ASP 39 Cb -0.10 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1l6u s ASP 39 CO 0.34 -0.67 0.06 -0.63 -0.17 0.00 0.00 175.17 174.09 1l6u s ILE 40 N 1.12 0.93 -0.29 4.11 1.01 -1.26 -4.95 121.20 121.87 1l6u s ILE 40 Ca 0.41 -2.01 0.12 0.00 0.00 0.00 0.00 60.65 59.16 1l6u s ILE 40 Cb -0.04 -2.65 0.70 0.00 0.01 0.00 0.00 42.46 40.48 1l6u s ILE 40 CO -0.01 -0.06 1.71 -0.67 0.00 0.00 0.00 174.94 175.90 1l6u n ASP 41 N -0.56 4.61 -0.69 3.58 -0.08 -1.26 -4.16 116.55 117.98 1l6u n ASP 41 Ca -0.02 -3.20 0.07 0.00 -1.51 0.00 0.00 54.79 50.13 1l6u n ASP 41 Cb 0.66 -0.70 0.15 0.00 2.34 0.00 0.00 41.12 43.57 1l6u n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l6u n GLY 42 N -0.20 2.00 0.04 0.27 0.00 -1.26 -3.98 105.19 102.07 1l6u n GLY 42 Ca 0.35 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1l6u n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l6u n PHE 43 N 0.70 0.21 -2.48 1.61 3.01 -1.26 -4.85 117.46 114.40 1l6u n PHE 43 Ca 0.12 0.10 -0.03 0.00 1.01 0.00 0.00 57.45 58.66 1l6u n PHE 43 Cb 0.42 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 1l6u n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1l6u n GLY 44 N -1.11 -5.12 0.24 1.37 0.00 -1.26 -4.78 105.19 94.53 1l6u n GLY 44 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.75 1l6u n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6u h ALA 45 N 4.27 -0.54 0.00 4.61 0.00 -1.92 -3.08 119.26 122.60 1l6u h ALA 45 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1l6u h ALA 45 Cb 0.58 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1l6u h ALA 45 CO 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.65 1l6u n GLU 47 N -0.90 0.00 0.00 0.00 2.13 -1.17 -3.34 120.64 117.36 1l6u n GLU 47 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1l6u n GLU 47 Cb 0.05 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1l6u n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1l6u n GLY 48 N -2.00 1.69 0.91 8.31 0.00 -1.26 -4.45 105.19 108.39 1l6u n GLY 48 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1l6u n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1l6u n THR 49 N -0.53 0.00 -1.38 2.61 5.66 -1.21 -3.79 114.28 115.64 1l6u n THR 49 Ca 0.00 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1l6u n THR 49 Cb 0.00 1.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 1l6u n THR 49 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1l6u n LEU 50 N 1.24 -1.83 -0.19 1.09 4.77 -1.26 -5.02 117.00 115.80 1l6u n LEU 50 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1l6u n LEU 50 Cb 0.58 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1l6u n LEU 50 CO 0.15 0.00 0.09 0.00 -1.33 0.00 0.00 177.39 176.31 1l6u n ALA 51 N -0.55 0.83 0.00 -1.18 0.00 -1.26 -4.93 120.51 113.42 1l6u n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l6u n ALA 51 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1l6u n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6u n SER 53 N -0.73 -2.65 -3.37 0.00 2.88 -1.26 -4.84 113.62 103.64 1l6u n SER 53 Ca 0.00 0.31 -0.25 0.00 -1.33 0.00 0.00 58.87 57.60 1l6u n SER 53 Cb 0.06 -2.35 -0.10 0.00 -0.75 0.00 0.00 64.21 61.07 1l6u n SER 53 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1l6u s THR 54 N -2.30 0.09 -0.26 2.46 -4.23 -1.26 -4.80 115.64 105.35 1l6u s THR 54 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1l6u s THR 54 Cb 0.00 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.83 1l6u s THR 54 CO 0.00 -0.99 0.95 0.00 -0.54 0.00 0.00 174.62 174.04 1l6u s HIS 56 N 0.02 2.87 0.20 0.00 -3.43 -1.26 -1.17 115.29 112.52 1l6u s HIS 56 Ca 0.02 -0.10 -0.07 0.00 -0.80 0.00 0.00 55.06 54.10 1l6u s HIS 56 Cb 0.03 -1.46 -0.02 0.00 -1.43 0.00 0.00 32.58 29.71 1l6u s HIS 56 CO -0.01 0.47 0.29 -0.51 -2.00 0.00 0.00 174.74 172.99 1l6u s LEU 57 N -2.47 0.85 -0.39 5.38 1.02 -1.22 -4.52 118.68 117.33 1l6u s LEU 57 Ca 0.25 -1.07 -0.10 0.00 0.02 0.00 0.00 54.13 53.22 1l6u s LEU 57 Cb -0.11 1.08 0.05 0.00 0.02 0.00 0.00 46.19 47.23 1l6u s LEU 57 CO 0.17 -0.95 0.22 -0.63 0.02 0.00 0.00 176.35 175.18 1l6u s ILE 58 N -4.05 4.41 -0.20 -0.59 -1.09 0.03 -2.92 121.20 116.79 1l6u s ILE 58 Ca 0.26 -1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 57.49 1l6u s ILE 58 Cb 0.03 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1l6u s ILE 58 CO 0.07 -0.32 0.28 -0.36 -1.23 0.00 0.00 174.94 173.37 1l6u s PHE 59 N 1.50 3.38 0.32 3.97 0.40 -0.45 -2.05 117.98 125.06 1l6u s PHE 59 Ca 0.02 0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 56.64 1l6u s PHE 59 Cb -0.21 -2.37 -0.13 0.00 0.51 0.00 0.00 43.02 40.83 1l6u s PHE 59 CO 0.05 0.11 0.08 -1.91 0.70 0.00 0.00 175.22 174.25 1l6u n GLU 60 N 4.09 0.00 0.32 0.44 2.13 -1.24 -3.55 120.64 122.84 1l6u n GLU 60 Ca -0.12 0.00 0.20 0.00 0.66 0.00 0.00 57.16 57.90 1l6u n GLU 60 Cb 0.52 -0.81 1.05 0.00 0.27 0.00 0.00 31.44 32.47 1l6u n GLU 60 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 1l6u h GLN 61 N 0.28 0.00 0.00 5.31 3.07 -1.94 1.72 115.11 123.55 1l6u h GLN 61 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1l6u h GLN 61 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1l6u h GLN 61 CO 0.38 0.00 -1.02 1.58 0.09 0.00 0.00 178.83 179.86 1l6u n HIS 62 N -2.95 0.47 -0.13 0.06 -0.00 -1.26 -3.62 115.22 107.79 1l6u n HIS 62 Ca -0.03 0.14 -0.26 0.00 0.46 0.00 0.00 57.72 58.03 1l6u n HIS 62 Cb 0.17 -0.61 -0.09 0.00 -0.12 0.00 0.00 29.99 29.34 1l6u n HIS 62 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1l6u n ILE 63 N -2.18 1.53 -0.34 3.57 5.41 0.26 -3.88 119.36 123.72 1l6u n ILE 63 Ca 0.01 -0.28 0.14 0.00 1.00 0.00 0.00 62.75 63.62 1l6u n ILE 63 Cb 0.47 -1.96 0.34 0.00 -0.71 0.00 0.00 39.64 37.78 1l6u n ILE 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1l6u h PHE 64 N -1.00 0.99 0.00 1.39 3.04 0.21 1.30 116.94 122.87 1l6u h PHE 64 Ca -0.58 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1l6u h PHE 64 Cb 1.50 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.72 1l6u h PHE 64 CO -0.12 0.14 0.00 1.05 -2.02 0.00 0.00 178.31 177.36 1l6u h GLU 65 N 0.65 0.00 0.00 1.11 -0.00 -1.74 -2.36 114.58 112.23 1l6u h GLU 65 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.96 1l6u h GLU 65 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1l6u h GLU 65 CO -0.43 0.00 -0.72 1.63 -0.00 0.00 0.00 179.01 179.49 1l6u n LYS 66 N -2.72 0.27 -1.72 1.06 5.02 0.42 -4.90 118.16 115.60 1l6u n LYS 66 Ca 0.03 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1l6u n LYS 66 Cb 0.36 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1l6u n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l6u s LEU 67 N -4.07 2.87 0.74 -0.35 1.43 0.51 -4.98 118.68 114.84 1l6u s LEU 67 Ca 0.06 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1l6u s LEU 67 Cb 0.14 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 42.32 1l6u s LEU 67 CO 0.74 -1.51 1.08 -1.61 0.23 0.00 0.00 176.35 175.28 1l6u s GLU 68 N -5.22 2.49 1.00 1.70 0.41 -1.26 -5.01 118.70 112.81 1l6u s GLU 68 Ca 0.59 1.11 -0.13 0.00 -0.41 0.00 0.00 54.97 56.12 1l6u s GLU 68 Cb -0.13 -1.93 0.19 0.00 -1.78 0.00 0.00 34.13 30.48 1l6u s GLU 68 CO 0.53 -1.46 1.11 0.00 -0.49 0.00 0.00 175.26 174.95 1l6u s ALA 69 N -2.93 1.08 0.42 5.21 0.00 -1.26 -5.08 121.76 119.20 1l6u s ALA 69 Ca 0.60 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1l6u s ALA 69 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1l6u s ALA 69 CO 0.55 -2.80 0.06 -1.50 0.00 0.00 0.00 175.76 172.08 1l6u s ILE 70 N -3.05 1.04 0.52 0.00 1.10 -1.26 -5.17 121.20 114.37 1l6u s ILE 70 Ca 0.66 -2.00 0.01 0.00 -0.51 0.00 0.00 60.65 58.80 1l6u s ILE 70 Cb -0.17 -2.46 -0.00 0.00 0.15 0.00 0.00 42.46 39.98 1l6u s ILE 70 CO 0.56 0.00 0.01 0.42 -2.11 0.00 0.00 174.94 173.83 1l6u s THR 71 N -3.07 0.97 0.07 4.00 -4.23 -1.26 -4.97 115.64 107.15 1l6u s THR 71 Ca 0.22 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.41 1l6u s THR 71 Cb 0.04 -2.05 -0.18 0.00 1.34 0.00 0.00 72.50 71.66 1l6u s THR 71 CO 0.12 0.00 1.63 -2.24 -0.54 0.00 0.00 174.62 173.59 1l6u h ASP 72 N 1.32 -0.76 -0.59 3.99 2.03 -2.02 0.82 116.42 121.21 1l6u h ASP 72 Ca -0.43 0.03 0.09 0.00 -0.73 0.00 0.00 57.03 56.00 1l6u h ASP 72 Cb 1.32 0.21 -0.11 0.00 -0.83 0.00 0.00 39.33 39.92 1l6u h ASP 72 CO 0.71 -0.52 -0.41 -0.08 -1.03 0.00 0.00 179.24 177.91 1l6u h GLU 73 N -0.85 -0.20 -0.58 4.15 4.81 -1.99 0.38 114.58 120.30 1l6u h GLU 73 Ca -0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1l6u h GLU 73 Cb 0.67 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1l6u h GLU 73 CO 0.12 -0.13 0.15 0.93 -0.73 0.00 0.00 179.01 179.35 1l6u h GLU 74 N -0.20 0.89 -0.16 1.92 5.08 -1.93 -1.27 114.58 118.91 1l6u h GLU 74 Ca 0.20 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1l6u h GLU 74 Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1l6u h GLU 74 CO -0.69 0.79 0.11 -0.97 -1.00 0.00 0.00 179.01 177.25 1l6u h ASN 75 N 0.86 0.00 0.04 1.42 -0.73 0.44 0.42 115.58 118.03 1l6u h ASN 75 Ca 0.19 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.36 1l6u h ASN 75 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1l6u h ASN 75 CO -0.00 0.00 -0.02 -0.78 -0.37 0.00 0.00 177.43 176.26 1l6u h ASP 76 N 0.00 -0.04 0.25 1.15 1.82 0.62 0.73 116.42 120.94 1l6u h ASP 76 Ca 0.07 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1l6u h ASP 76 Cb 0.30 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1l6u h ASP 76 CO -0.00 0.71 0.00 0.80 -1.61 0.00 0.00 179.24 179.14 1l6u n MET 77 N -4.74 0.05 -0.07 0.28 1.56 -0.69 -2.00 117.12 111.51 1l6u n MET 77 Ca -0.08 0.30 -0.09 0.00 -0.27 0.00 0.00 57.70 57.56 1l6u n MET 77 Cb 0.32 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.11 1l6u n MET 77 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1l6u n LEU 78 N -1.42 1.67 -0.23 -0.89 -0.00 0.14 -4.52 117.00 111.75 1l6u n LEU 78 Ca 0.03 -0.05 0.02 0.00 -0.00 0.00 0.00 56.01 56.01 1l6u n LEU 78 Cb 0.09 -0.18 0.14 0.00 -0.00 0.00 0.00 43.42 43.47 1l6u n LEU 78 CO 0.08 0.57 1.02 -0.78 -0.00 0.00 0.00 177.39 178.28 1l6u h ASP 79 N 0.00 0.33 -0.11 1.96 3.58 0.11 0.66 116.42 122.95 1l6u h ASP 79 Ca -0.36 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.21 1l6u h ASP 79 Cb 1.66 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.75 1l6u h ASP 79 CO -0.02 0.17 0.44 -0.07 -2.88 0.00 0.00 179.24 176.88 1l6u h LEU 80 N 0.49 0.00 -9.07 2.28 3.38 -1.72 -3.43 115.31 107.24 1l6u h LEU 80 Ca 0.35 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.76 1l6u h LEU 80 Cb 0.44 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.41 1l6u h LEU 80 CO -0.32 0.00 -1.52 0.00 0.09 0.00 0.00 178.44 176.69 1l6u n ALA 81 N -1.96 -4.45 -2.67 1.53 0.00 0.23 -4.89 120.51 108.31 1l6u n ALA 81 Ca 0.01 -0.47 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 1l6u n ALA 81 Cb 0.52 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 1l6u n ALA 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1l6u s TYR 82 N -2.01 3.37 0.00 0.00 1.51 -1.26 -4.37 117.35 114.58 1l6u s TYR 82 Ca 0.47 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.12 1l6u s TYR 82 Cb -0.29 -2.50 0.00 0.00 -0.11 0.00 0.00 41.96 39.06 1l6u s TYR 82 CO 0.76 -0.00 0.00 0.41 -1.11 0.00 0.00 175.55 175.61 1l6u n GLY 83 N 3.94 1.52 3.38 0.71 0.00 -1.26 -4.68 105.19 108.80 1l6u n GLY 83 Ca -0.09 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1l6u n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1l6u n LEU 84 N 0.00 -3.83 0.00 0.99 0.00 -1.26 -4.94 117.00 107.96 1l6u n LEU 84 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 56.01 55.80 1l6u n LEU 84 Cb 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 43.42 41.43 1l6u n LEU 84 CO 0.00 -0.53 0.14 0.35 0.00 0.00 0.00 177.39 177.35 1l6u n THR 85 N -0.61 0.00 0.86 1.96 -2.24 -1.26 -4.87 114.28 108.13 1l6u n THR 85 Ca -0.07 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1l6u n THR 85 Cb 0.63 -0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.43 1l6u n THR 85 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1l6u n ASP 86 N -3.85 1.90 -1.10 3.42 -0.08 -1.26 -3.50 116.55 112.09 1l6u n ASP 86 Ca 0.05 -2.09 -0.01 0.00 -1.51 0.00 0.00 54.79 51.23 1l6u n ASP 86 Cb 0.20 -0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.35 1l6u n ASP 86 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1l6u n ARG 87 N 0.34 0.00 -3.98 -0.67 1.85 -1.26 -4.98 116.66 107.96 1l6u n ARG 87 Ca 0.10 -1.31 -0.27 0.00 -1.00 0.00 0.00 57.85 55.37 1l6u n ARG 87 Cb 0.34 0.13 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 1l6u n ARG 87 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1l6u s SER 88 N -1.31 6.12 -0.30 2.89 0.15 -1.23 -1.34 113.70 118.69 1l6u s SER 88 Ca 0.14 0.11 -0.33 0.00 0.70 0.00 0.00 55.95 56.57 1l6u s SER 88 Cb 0.16 -1.79 0.18 0.00 -1.71 0.00 0.00 66.02 62.86 1l6u s SER 88 CO -0.07 0.07 1.39 0.00 1.20 0.00 0.00 173.24 175.84 1l6u s ARG 89 N -3.09 0.01 0.44 5.44 1.70 -1.15 -4.89 118.95 117.42 1l6u s ARG 89 Ca 0.34 -0.00 -0.22 0.00 -0.47 0.00 0.00 55.73 55.38 1l6u s ARG 89 Cb -0.11 0.00 -0.12 0.00 -0.57 0.00 0.00 34.95 34.15 1l6u s ARG 89 CO 0.27 -0.00 0.50 -0.11 -1.08 0.00 0.00 175.30 174.88 1l6u n LEU 90 N 0.30 -0.17 -2.56 -1.89 7.94 -1.26 -3.44 117.00 115.92 1l6u n LEU 90 Ca 0.03 0.87 -0.15 0.00 -1.11 0.00 0.00 56.01 55.65 1l6u n LEU 90 Cb 0.58 -1.10 0.02 0.00 0.53 0.00 0.00 43.42 43.45 1l6u n LEU 90 CO 0.07 -3.03 0.03 0.61 -1.11 0.00 0.00 177.39 173.95 1l6u n GLY 91 N 1.83 3.53 2.07 -3.96 0.00 -0.31 -4.85 105.19 103.50 1l6u n GLY 91 Ca 0.11 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 1l6u n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6u n GLN 93 N -0.56 -0.89 -4.05 0.00 10.64 -1.25 -4.83 117.38 116.43 1l6u n GLN 93 Ca -0.03 0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 55.11 1l6u n GLN 93 Cb 0.38 -2.36 -0.11 0.00 -0.86 0.00 0.00 30.24 27.29 1l6u n GLN 93 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1l6u s ILE 94 N -2.86 0.31 -0.06 -0.39 -1.09 -1.26 -5.13 121.20 110.72 1l6u s ILE 94 Ca 0.28 -1.34 0.06 0.00 -2.23 0.00 0.00 60.65 57.42 1l6u s ILE 94 Cb -0.16 -0.88 -0.01 0.00 -1.58 0.00 0.00 42.46 39.83 1l6u s ILE 94 CO 0.56 -0.67 -0.23 0.00 -1.23 0.00 0.00 174.94 173.37 1l6u n LEU 96 N 3.05 -3.81 0.00 0.00 4.77 -1.07 -4.59 117.00 115.36 1l6u n LEU 96 Ca -0.18 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1l6u n LEU 96 Cb 0.52 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1l6u n LEU 96 CO 0.26 -5.11 -0.05 0.35 -1.33 0.00 0.00 177.39 171.51 1l6u n THR 97 N -2.80 0.00 1.21 -5.08 -2.24 -1.26 -2.36 114.28 101.75 1l6u n THR 97 Ca 0.02 -0.87 0.07 0.00 -2.27 0.00 0.00 64.05 61.00 1l6u n THR 97 Cb 0.55 0.36 0.26 0.00 -2.10 0.00 0.00 70.33 69.40 1l6u n THR 97 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1l6u n LYS 98 N -0.29 1.64 -0.05 -0.78 5.02 -1.26 -3.08 118.16 119.35 1l6u n LYS 98 Ca -0.00 -0.98 0.06 0.00 -2.02 0.00 0.00 58.31 55.37 1l6u n LYS 98 Cb 0.22 -1.30 0.08 0.00 -0.02 0.00 0.00 35.03 34.01 1l6u n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l6u n ALA 99 N 0.24 2.39 0.60 7.82 0.00 -1.26 -4.33 120.51 125.97 1l6u n ALA 99 Ca 0.13 -0.75 0.08 0.00 0.00 0.00 0.00 53.44 52.90 1l6u n ALA 99 Cb 0.26 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.40 1l6u n ALA 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1l6u n MET 100 N 0.59 1.39 -1.44 0.00 2.81 -1.18 -4.88 117.12 114.42 1l6u n MET 100 Ca 0.08 -1.54 -0.48 0.00 -1.81 0.00 0.00 57.70 53.94 1l6u n MET 100 Cb 0.32 -1.32 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 1l6u n MET 100 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1l6u n ASP 101 N 0.92 1.64 -2.87 7.83 5.68 -1.26 0.12 116.55 128.61 1l6u n ASP 101 Ca 0.10 0.29 -0.16 0.00 -0.50 0.00 0.00 54.79 54.52 1l6u n ASP 101 Cb 0.42 -1.19 0.06 0.00 -1.14 0.00 0.00 41.12 39.27 1l6u n ASP 101 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1l6u n ASN 102 N 10.43 -3.86 -4.86 -1.12 5.15 0.43 -4.87 115.26 116.56 1l6u n ASN 102 Ca 0.47 -0.44 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 1l6u n ASN 102 Cb 0.20 -4.01 -0.04 0.00 -0.53 0.00 0.00 39.78 35.39 1l6u n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1l6u s MET 103 N -5.57 3.87 -0.03 1.20 0.23 0.32 -4.84 119.30 114.47 1l6u s MET 103 Ca 0.25 0.57 0.07 0.00 -1.03 0.00 0.00 55.69 55.55 1l6u s MET 103 Cb -0.11 -2.39 -0.02 0.00 -1.53 0.00 0.00 34.83 30.79 1l6u s MET 103 CO 0.56 0.01 -0.24 0.99 -2.03 0.00 0.00 175.02 174.31 1l6u s THR 104 N -2.26 2.21 0.05 3.16 2.01 -1.26 0.22 115.64 119.77 1l6u s THR 104 Ca 0.53 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1l6u s THR 104 Cb -0.10 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1l6u s THR 104 CO 0.27 0.58 -0.05 0.68 -0.69 0.00 0.00 174.62 175.40 1l6u s VAL 105 N -0.57 0.40 0.12 3.82 -7.23 0.17 -3.65 120.40 113.47 1l6u s VAL 105 Ca 0.08 -1.34 0.11 0.00 -1.81 0.00 0.00 61.98 59.02 1l6u s VAL 105 Cb -0.11 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1l6u s VAL 105 CO -0.00 -0.62 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.30 1l6u s ARG 106 N -2.42 1.42 -0.44 4.82 3.52 -0.87 0.22 118.95 125.18 1l6u s ARG 106 Ca -0.04 -1.31 -0.05 0.00 -0.13 0.00 0.00 55.73 54.20 1l6u s ARG 106 Cb -0.04 -1.87 0.12 0.00 -1.56 0.00 0.00 34.95 31.60 1l6u s ARG 106 CO -0.03 0.45 0.26 0.08 -0.81 0.00 0.00 175.30 175.25 1l6u s VAL 107 N -1.04 3.57 -2.00 7.11 1.01 0.38 -0.79 120.40 128.64 1l6u s VAL 107 Ca 0.13 -2.07 0.24 0.00 0.00 0.00 0.00 61.98 60.29 1l6u s VAL 107 Cb -0.10 -3.41 0.68 0.00 0.00 0.00 0.00 36.38 33.55 1l6u s VAL 107 CO 0.05 -0.73 1.80 -0.81 0.00 0.00 0.00 175.10 175.41